| 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 | 88.1 | Confident | 82.6 | Confident | 32 Ų | 32 | 35.1 Ų | 35.1 | 16% | 0.158 | 16% | 0.162 | C | C | . | . | 0 | -68.6 | 0 | -61.3 | 179.9 | -177.2 | 0 | 0 | 110.8 | A3 E4 M5 A354 F357 F373 A382 T383 V386 | M1-A3 PolarHBondContact O-N 3.46Å; M1-E4 PolarHBondContact O-N 3.02Å; M1-M5 PolarHBondContact O-N 3.08Å; M1-A354 HydrophobicContact SD-CB 4.3Å; M1-F357 HydrophobicContact CB-CB 4.43Å; M1-F357 HydrophobicContact CB-CD1 4.28Å; M1-F357 HydrophobicContact CB-CD2 3.73Å; M1-F357 HydrophobicContact CB-CE2 4Å; M1-F357 HydrophobicContact CB-CG 3.89Å; M1-F357 HydrophobicContact CB-CZ 4.38Å; M1-F357 HydrophobicContact CE-CD1 4.09Å; M1-F357 HydrophobicContact CG-CB 4.33Å; M1-F357 HydrophobicContact CG-CD1 3.6Å; M1-F357 HydrophobicContact CG-CD2 3.98Å; M1-F357 HydrophobicContact CG-CE1 3.78Å; M1-F357 HydrophobicContact CG-CE2 4.16Å; M1-F357 HydrophobicContact CG-CG 3.7Å; M1-F357 HydrophobicContact CG-CZ 4.07Å; M1-F357 HydrophobicContact SD-CB 4.11Å; M1-F357 HydrophobicContact SD-CD1 3.97Å; M1-F357 HydrophobicContact SD-CG 4.06Å; M1-F373 HydrophobicContact CG-CE2 4.33Å; M1-A382 HydrophobicContact CE-CB 3.51Å; M1-A382 VanDerWaalsContact CE-O 3.26Å; M1-A382 WeakPolarHBondContact CE-O 3.42Å; M1-T383 VanDerWaalsContact CE-N 3.26Å; M1-V386 HydrophobicContact CE-CB 4.41Å; M1-V386 HydrophobicContact CE-CG2 3.91Å; M1-V386 HydrophobicContact SD-CG2 4.42Å | |||
| 2 | M | 85.6 | Confident | 81.9 | Confident | 33 Ų | 33 | 39.7 Ų | 39.7 | 16% | 0.163 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56 | -39.3 | -177.9 | -47 | -39.1 | 164.4 | 0 | 0 | 112.9 | E4 M5 G6 W19 E169 L353 | M2-E4 VanDerWaalsContact C-N 3.34Å; M2-E4 PolarHBondContact O-N 3.02Å; M2-M5 PolarHBondContact O-N 3.46Å; M2-M5 HydrophobicContact SD-CE 3.27Å; M2-M5 WeakPolarHBondContact SD-CE 3.33Å; M2-G6 PolarHBondContact O-N 3.42Å; M2-W19 HydrophobicContact CB-CZ3 4.04Å; M2-E169 HydrophobicContact CG-CB 4.35Å; M2-L353 HydrophobicContact CE-CB 3.15Å; M2-L353 HydrophobicContact CE-CD1 3.81Å; M2-L353 HydrophobicContact CE-CG 4.08Å; M2-L353 HydrophobicContact SD-CB 3.6Å; M2-L353 VanDerWaalsContact SD-CB 3.6Å; M2-L353 HydrophobicContact SD-CD1 3.95Å; M2-L353 HydrophobicContact SD-CD2 4.32Å; M2-L353 HydrophobicContact SD-CG 4.19Å |
| 3 | A | 82.9 | Confident | 80.8 | Confident | 10 Ų | 10 | 52 Ų | 52 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.1 | -42.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1 A7 F185 I189 F370 | M1-A3 PolarHBondContact O-N 3.46Å; A3-A7 VanDerWaalsContact O-CB 3.24Å; A3-A7 WeakPolarHBondContact O-CB 3.31Å; A3-A7 PolarHBondContact O-N 3Å; A3-A7 VanDerWaalsContact O-N 3.11Å; A3-F185 HydrophobicContact CB-CD1 3.91Å; A3-F185 HydrophobicContact CB-CE1 3.45Å; A3-F185 VanDerWaalsContact CB-CE1 3.45Å; A3-I189 HydrophobicContact CB-CD1 4.19Å; A3-F370 HydrophobicContact CB-CD1 4.08Å; A3-F370 HydrophobicContact CB-CE1 3.45Å; A3-F370 VanDerWaalsContact CB-CE1 3.45Å; A3-F370 HydrophobicContact CB-CZ 4.38Å |
| 4 | E | 87.1 | Confident | 80 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72 | -39.8 | 176.7 | -66.4 | -169.8 | -157.6 | 0 | 0 | 111.6 | M1 M2 A7 A8 F357 F360 K361 F370 I372 F373 | M1-E4 PolarHBondContact O-N 3.02Å; M2-E4 VanDerWaalsContact C-N 3.34Å; M2-E4 PolarHBondContact O-N 3.02Å; E4-A7 PolarHBondContact O-N 3.1Å; E4-A8 WeakPolarHBondContact O-CB 3.29Å; E4-A8 PolarHBondContact O-N 3.27Å; E4-F357 HydrophobicContact CB-CE2 4.2Å; E4-F360 HydrophobicContact CB-CE1 3.78Å; E4-F360 HydrophobicContact CB-CZ 4.21Å; E4-F360 WeakPolarHBondContact O-CZ 3.36Å; E4-K361 WeakPolarHBondContact OE2-CD 3.41Å; E4-K361 IonicContact OE2-NZ 3.44Å; E4-K361 PolarHBondContact OE2-NZ 3.28Å; E4-F370 HydrophobicContact CB-CD1 4.46Å; E4-F370 HydrophobicContact CG-CD1 3.91Å; E4-F370 HydrophobicContact CG-CE1 4.13Å; E4-I372 WeakPolarHBondContact OE1-CA 3.43Å; E4-I372 PolarHBondContact OE1-N 2.67Å; E4-F373 WeakPolarHBondContact OE1-CD2 3.44Å; E4-F373 PolarHBondContact OE1-N 2.82Å |
| 5 | M | 88.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -47.6 | 177.9 | -67.9 | -170.6 | -67.4 | 0 | 0 | 111.2 | M1 M2 A7 A8 Y9 W19 F357 F360 | M1-M5 PolarHBondContact O-N 3.08Å; M2-M5 PolarHBondContact O-N 3.46Å; M2-M5 HydrophobicContact SD-CE 3.27Å; M2-M5 WeakPolarHBondContact SD-CE 3.33Å; M5-A7 VanDerWaalsContact C-N 3.26Å; M5-A7 PolarHBondContact O-N 3.24Å; M5-A8 PolarHBondContact O-N 2.96Å; M5-Y9 HydrophobicContact CB-CD2 4.42Å; M5-Y9 WeakPolarHBondContact O-CB 3.42Å; M5-Y9 VanDerWaalsContact O-CD2 3.27Å; M5-Y9 WeakPolarHBondContact O-CD2 3.41Å; M5-Y9 PolarHBondContact O-N 2.72Å; M5-W19 HydrophobicContact CB-CB 4.19Å; M5-W19 HydrophobicContact CB-CD2 4.16Å; M5-W19 HydrophobicContact CB-CE3 4.44Å; M5-W19 HydrophobicContact CB-CG 4.03Å; M5-W19 HydrophobicContact CE-CE3 4.44Å; M5-W19 HydrophobicContact SD-CB 4.3Å; M5-F357 HydrophobicContact CG-CD2 4.22Å; M5-F357 HydrophobicContact SD-CD2 4.33Å; M5-F360 HydrophobicContact CG-CB 4.23Å; M5-F360 HydrophobicContact CG-CD1 3.72Å; M5-F360 HydrophobicContact CG-CD2 4Å; M5-F360 HydrophobicContact CG-CE1 4.02Å; M5-F360 HydrophobicContact CG-CE2 4.27Å; M5-F360 HydrophobicContact CG-CG 3.69Å; M5-F360 HydrophobicContact CG-CZ 4.28Å; M5-F360 HydrophobicContact SD-CB 4.22Å; M5-F360 HydrophobicContact SD-CG 4.33Å |
| 6 | G | 82.4 | Confident | 80.3 | Confident | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -34.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M2 Y9 R10 V175 | M2-G6 PolarHBondContact O-N 3.42Å; G6-Y9 CarbonylContact O-C 3.37Å; G6-R10 WeakPolarHBondContact O-CA 3.33Å; G6-R10 PolarHBondContact O-N 3.5Å; G6-R10 VanDerWaalsContact O-N 3.1Å; G6-V175 VanDerWaalsContact C-CG1 3.48Å |
| 7 | A | 79.7 | Confident | 80.7 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.8 | -41.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A3 E4 M5 R10 V175 P369 F370 | A3-A7 VanDerWaalsContact O-CB 3.24Å; A3-A7 WeakPolarHBondContact O-CB 3.31Å; A3-A7 PolarHBondContact O-N 3Å; A3-A7 VanDerWaalsContact O-N 3.11Å; E4-A7 PolarHBondContact O-N 3.1Å; M5-A7 VanDerWaalsContact C-N 3.26Å; M5-A7 PolarHBondContact O-N 3.24Å; A7-R10 WeakPolarHBondContact O-CD 3.4Å; A7-R10 WeakPolarHBondContact O-CG 3.47Å; A7-V175 HydrophobicContact CB-CG1 3.72Å; A7-V175 HydrophobicContact CB-CG2 3.97Å; A7-V175 VanDerWaalsContact N-CG1 3.33Å; A7-P369 HydrophobicContact CB-CG 4.06Å; A7-P369 WeakPolarHBondContact O-CG 3.12Å; A7-F370 HydrophobicContact CB-CB 3.66Å; A7-F370 HydrophobicContact CB-CD1 4.44Å |
| 8 | A | 84.5 | Confident | 81 | Confident | 16 Ų | 16 | 42.4 Ų | 42.4 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.2 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E4 M5 F360 D367 | E4-A8 WeakPolarHBondContact O-CB 3.29Å; E4-A8 PolarHBondContact O-N 3.27Å; M5-A8 PolarHBondContact O-N 2.96Å; A8-F360 HydrophobicContact CB-CE2 3.61Å; A8-F360 HydrophobicContact CB-CZ 3.74Å; A8-D367 WeakPolarHBondContact CA-O 3.48Å; A8-D367 WeakPolarHBondContact CB-O 3.44Å |
| 9 | Y | 82.3 | Confident | 81.4 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 25.9 | 179.7 | -62.3 | -58.2 | 0 | 0 | 0 | 113.3 | M5 G6 K11 E12 W19 N22 F360 L366 | M5-Y9 HydrophobicContact CB-CD2 4.42Å; M5-Y9 WeakPolarHBondContact O-CB 3.42Å; M5-Y9 VanDerWaalsContact O-CD2 3.27Å; M5-Y9 WeakPolarHBondContact O-CD2 3.41Å; M5-Y9 PolarHBondContact O-N 2.72Å; G6-Y9 CarbonylContact O-C 3.37Å; Y9-K11 PolarHBondContact O-N 3.02Å; Y9-E12 HydrophobicContact CD1-CG 4.16Å; Y9-E12 HydrophobicContact CG-CG 4.44Å; Y9-E12 VanDerWaalsContact O-CB 3.24Å; Y9-E12 WeakPolarHBondContact O-CB 3.22Å; Y9-E12 PolarHBondContact O-N 3.18Å; Y9-W19 HydrophobicContact CD2-CB 4.25Å; Y9-W19 AromaticContact CD2-CD1 3.72Å; Y9-W19 HydrophobicContact CD2-CG 4.24Å; Y9-N22 HydrophobicContact CD1-CB 4.23Å; Y9-N22 HydrophobicContact CE1-CB 3.37Å; Y9-N22 HydrophobicContact CE2-CB 4.28Å; Y9-N22 VanDerWaalsContact OH-CB 3.29Å; Y9-N22 WeakPolarHBondContact OH-CB 3.28Å; Y9-N22 PolarHBondContact OH-O 2.96Å; Y9-F360 HydrophobicContact CD2-CE2 4.47Å; Y9-F360 AromaticContact CE2-CD2 3.65Å; Y9-F360 HydrophobicContact CE2-CD2 3.65Å; Y9-F360 AromaticContact CE2-CE2 3.89Å; Y9-F360 HydrophobicContact CE2-CE2 3.89Å; Y9-L366 HydrophobicContact CE1-CD1 4.03Å; Y9-L366 HydrophobicContact CE1-CD2 3.73Å; Y9-L366 WeakPolarHBondContact OH-CD1 3.43Å |
| 10 | R | 73.9 | Confident | 82 | Confident | 96 Ų | 96 | 38.8 Ų | 38.8 | 36% | 0.362 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -20.7 | -177.7 | 61.5 | -175.7 | 176.9 | -156.8 | -6.3 | 115.9 | G6 A7 E12 D176 D367 P369 | G6-R10 WeakPolarHBondContact O-CA 3.33Å; G6-R10 PolarHBondContact O-N 3.5Å; G6-R10 VanDerWaalsContact O-N 3.1Å; A7-R10 WeakPolarHBondContact O-CD 3.4Å; A7-R10 WeakPolarHBondContact O-CG 3.47Å; R10-E12 VanDerWaalsContact C-N 3.34Å; R10-D176 HydrophobicContact CB-CB 3.74Å; R10-D367 IonicContact CZ-OD2 2.59Å; R10-D367 IonicContact NH2-OD2 2.84Å; R10-D367 PolarHBondContact NH2-OD2 2.84Å; R10-P369 VanDerWaalsContact NH1-CG 3.34Å |
| 11 | K | 74 | Confident | 82.5 | Confident | 182 Ų | 182 | 39 Ų | 39 | 79% | 0.791 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -8.3 | 177.6 | -63.1 | -175.8 | 180 | 178.9 | 0 | 112.5 | Y9 | Y9-K11 PolarHBondContact O-N 3.02Š|
| 12 | E | 74.4 | Confident | 82.6 | Confident | 90 Ų | 90 | 39.2 Ų | 39.2 | 42% | 0.421 | 20% | 0.196 | S | C | . | . | trans | -91.4 | 123.4 | -176.7 | -60.6 | -69.8 | 146.9 | 0 | 0 | 110.6 | Y9 R10 G14 | Y9-E12 HydrophobicContact CD1-CG 4.16Å; Y9-E12 HydrophobicContact CG-CG 4.44Å; Y9-E12 VanDerWaalsContact O-CB 3.24Å; Y9-E12 WeakPolarHBondContact O-CB 3.22Å; Y9-E12 PolarHBondContact O-N 3.18Å; R10-E12 VanDerWaalsContact C-N 3.34Å; E12-G14 VanDerWaalsContact C-N 3.33Å | ||
| 13 | E | 67.1 | Low | 83 | Confident | 200 Ų | 200 | 38.2 Ų | 38.2 | 94% | 0.935 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -18.1 | 179.1 | -62.6 | -170.3 | 165.2 | 0 | 0 | 113.3 | G15 | E13-G15 PolarHBondContact O-N 2.9Š|
| 14 | G | 69.6 | Low | 83.5 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 18% | 0.175 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E12 I16 Y17 S18 | E12-G14 VanDerWaalsContact C-N 3.33Å; G14-I16 PolarHBondContact O-N 3.49Å; G14-Y17 WeakPolarHBondContact O-CB 3.47Å; G14-Y17 PolarHBondContact O-N 2.78Å; G14-Y17 VanDerWaalsContact O-N 3.09Å; G14-S18 VanDerWaalsContact CA-OG 3.28Å; G14-S18 WeakPolarHBondContact CA-OG 3.5Å; G14-S18 PolarHBondContact N-OG 3.22Å |
| 15 | G | 79.6 | Confident | 83.8 | Confident | 26 Ų | 26 | 41 Ų | 41 | 27% | 0.268 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -126.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E13 Y17 S18 W19 | E13-G15 PolarHBondContact O-N 2.9Å; G15-Y17 PolarHBondContact O-N 3.02Å; G15-S18 PolarHBondContact O-N 2.69Å; G15-S18 VanDerWaalsContact O-N 3.13Å; G15-W19 PolarHBondContact O-N 3.49Å; G15-W19 PolarHBondContact O-NE1 2.91Å |
| 16 | I | 85.2 | Confident | 84 | Confident | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.087 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.5 | -32.2 | -179.6 | 60.7 | 165.3 | 0 | 0 | 0 | 113.5 | G14 W19 M20 T33 W36 L353 | G14-I16 PolarHBondContact O-N 3.49Å; I16-W19 HydrophobicContact CB-CE3 4.31Å; I16-W19 HydrophobicContact CG2-CE3 3.83Å; I16-W19 HydrophobicContact CG2-CH2 4.24Å; I16-W19 HydrophobicContact CG2-CZ3 3.62Å; I16-W19 PolarHBondContact O-N 3.34Å; I16-M20 HydrophobicContact CB-CE 4.37Å; I16-M20 VanDerWaalsContact O-CE 3.3Å; I16-M20 WeakPolarHBondContact O-CE 3.32Å; I16-M20 PolarHBondContact O-N 2.97Å; I16-M20 VanDerWaalsContact O-N 3.12Å; I16-T33 HydrophobicContact CD1-CG2 4.18Å; I16-T33 HydrophobicContact CG1-CG2 4.27Å; I16-W36 HydrophobicContact CD1-CB 3.73Å; I16-W36 HydrophobicContact CD1-CD2 3.3Å; I16-W36 HydrophobicContact CD1-CE3 3.5Å; I16-W36 HydrophobicContact CD1-CG 3.43Å; I16-W36 VanDerWaalsContact CD1-CG 3.43Å; I16-W36 HydrophobicContact CD1-CZ3 4.22Å; I16-W36 HydrophobicContact CG1-CE3 4.46Å; I16-L353 HydrophobicContact CB-CD2 4.11Å; I16-L353 HydrophobicContact CG2-CD1 4.38Å; I16-L353 HydrophobicContact CG2-CD2 4.16Å |
| 17 | Y | 88.4 | Confident | 84.5 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -51.8 | 177.2 | 172.7 | -97.2 | 0 | 0 | 0 | 110.1 | G14 G15 W19 M20 N21 A29 F30 T33 G287 T288 P289 | G14-Y17 WeakPolarHBondContact O-CB 3.47Å; G14-Y17 PolarHBondContact O-N 2.78Å; G14-Y17 VanDerWaalsContact O-N 3.09Å; G15-Y17 PolarHBondContact O-N 3.02Å; Y17-W19 VanDerWaalsContact C-N 3.26Å; Y17-W19 PolarHBondContact O-N 3.31Å; Y17-M20 PolarHBondContact O-N 2.96Å; Y17-N21 HydrophobicContact CD1-CB 4.45Å; Y17-N21 HydrophobicContact CE1-CB 4.13Å; Y17-N21 VanDerWaalsContact O-CB 3.22Å; Y17-N21 WeakPolarHBondContact O-CB 3.48Å; Y17-N21 PolarHBondContact O-N 2.98Å; Y17-A29 HydrophobicContact CD2-CB 3.72Å; Y17-A29 HydrophobicContact CE2-CB 3.73Å; Y17-A29 HydrophobicContact CG-CB 4.49Å; Y17-F30 HydrophobicContact CE2-CB 4.38Å; Y17-T33 WeakPolarHBondContact CA-OG1 3.38Å; Y17-T33 WeakPolarHBondContact CB-OG1 3.36Å; Y17-G287 WeakPolarHBondContact CD1-O 3.29Å; Y17-T288 HydrophobicContact CD2-CG2 3.71Å; Y17-T288 HydrophobicContact CE2-CG2 3.91Å; Y17-T288 HydrophobicContact CG-CG2 4.02Å; Y17-P289 WeakPolarHBondContact OH-CD 3.04Å |
| 18 | S | 85.9 | Confident | 85.2 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -38.4 | 178.3 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | G14 G15 M20 N21 N22 | G14-S18 VanDerWaalsContact CA-OG 3.28Å; G14-S18 WeakPolarHBondContact CA-OG 3.5Å; G14-S18 PolarHBondContact N-OG 3.22Å; G15-S18 PolarHBondContact O-N 2.69Å; G15-S18 VanDerWaalsContact O-N 3.13Å; S18-M20 PolarHBondContact O-N 3.3Å; S18-N21 PolarHBondContact O-N 2.92Å; S18-N22 VanDerWaalsContact O-CB 3.31Å; S18-N22 WeakPolarHBondContact O-CB 3.33Å; S18-N22 PolarHBondContact O-N 3.49Å; S18-N22 PolarHBondContact O-ND2 2.88Å |
| 19 | W | 88.8 | Confident | 85.6 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 4% | 0.038 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 176.7 | -55.6 | -11.1 | 0 | 0 | 0 | 111.2 | M2 M5 Y9 G15 I16 Y17 S23 L353 | M2-W19 HydrophobicContact CB-CZ3 4.04Å; M5-W19 HydrophobicContact CB-CB 4.19Å; M5-W19 HydrophobicContact CB-CD2 4.16Å; M5-W19 HydrophobicContact CB-CE3 4.44Å; M5-W19 HydrophobicContact CB-CG 4.03Å; M5-W19 HydrophobicContact CE-CE3 4.44Å; M5-W19 HydrophobicContact SD-CB 4.3Å; Y9-W19 HydrophobicContact CD2-CB 4.25Å; Y9-W19 AromaticContact CD2-CD1 3.72Å; Y9-W19 HydrophobicContact CD2-CG 4.24Å; G15-W19 PolarHBondContact O-N 3.49Å; G15-W19 PolarHBondContact O-NE1 2.91Å; I16-W19 HydrophobicContact CB-CE3 4.31Å; I16-W19 HydrophobicContact CG2-CE3 3.83Å; I16-W19 HydrophobicContact CG2-CH2 4.24Å; I16-W19 HydrophobicContact CG2-CZ3 3.62Å; I16-W19 PolarHBondContact O-N 3.34Å; Y17-W19 VanDerWaalsContact C-N 3.26Å; Y17-W19 PolarHBondContact O-N 3.31Å; W19-S23 WeakPolarHBondContact O-CB 3.4Å; W19-S23 PolarHBondContact O-N 3.17Å; W19-S23 PolarHBondContact O-OG 3Å; W19-L353 HydrophobicContact CE3-CD2 4.2Å |
| 20 | M | 93 | Very high | 86.1 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -74.6 | -35.6 | -180 | -70 | -175.9 | -74.2 | 0 | 0 | 112.8 | I16 Y17 S18 S23 V24 G25 F28 A29 T33 F352 L353 A356 | I16-M20 HydrophobicContact CB-CE 4.37Å; I16-M20 VanDerWaalsContact O-CE 3.3Å; I16-M20 WeakPolarHBondContact O-CE 3.32Å; I16-M20 PolarHBondContact O-N 2.97Å; I16-M20 VanDerWaalsContact O-N 3.12Å; Y17-M20 PolarHBondContact O-N 2.96Å; S18-M20 PolarHBondContact O-N 3.3Å; M20-S23 PolarHBondContact O-N 3.13Å; M20-V24 PolarHBondContact O-N 3.27Å; M20-G25 PolarHBondContact O-N 3.43Å; M20-F28 HydrophobicContact CB-CD1 4.22Å; M20-F28 HydrophobicContact CG-CD1 4.41Å; M20-F28 HydrophobicContact CG-CE1 4.25Å; M20-F28 HydrophobicContact SD-CD1 4.26Å; M20-F28 HydrophobicContact SD-CE1 3.96Å; M20-A29 HydrophobicContact CB-CB 3.63Å; M20-T33 WeakPolarHBondContact CE-OG1 3.29Å; M20-F352 HydrophobicContact SD-CB 3.84Å; M20-L353 HydrophobicContact CE-CD2 4.27Å; M20-L353 HydrophobicContact CG-CD2 4.03Å; M20-L353 HydrophobicContact SD-CD2 4.09Å; M20-A356 HydrophobicContact CG-CB 4.07Å |
| 21 | N | 92.5 | Very high | 87.1 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.8 | -47.9 | -177.7 | -179.1 | 44.3 | 0 | 0 | 0 | 110.4 | Y17 S18 S23 G25 P26 A29 | Y17-N21 HydrophobicContact CD1-CB 4.45Å; Y17-N21 HydrophobicContact CE1-CB 4.13Å; Y17-N21 VanDerWaalsContact O-CB 3.22Å; Y17-N21 WeakPolarHBondContact O-CB 3.48Å; Y17-N21 PolarHBondContact O-N 2.98Å; S18-N21 PolarHBondContact O-N 2.92Å; N21-S23 VanDerWaalsContact C-N 3.25Å; N21-S23 PolarHBondContact O-N 3.42Å; N21-G25 VanDerWaalsContact O-CA 3.28Å; N21-G25 WeakPolarHBondContact O-CA 3.32Å; N21-G25 PolarHBondContact O-N 3.46Å; N21-G25 VanDerWaalsContact O-N 3.16Å; N21-P26 WeakPolarHBondContact OD1-CA 3.37Å; N21-P26 VanDerWaalsContact OD1-CB 3.32Å; N21-P26 WeakPolarHBondContact OD1-CB 3.42Å; N21-P26 WeakPolarHBondContact OD1-CD 3.32Å; N21-P26 VanDerWaalsContact OD1-N 3.14Å; N21-A29 VanDerWaalsContact CA-CB 3.49Å; N21-A29 HydrophobicContact CB-CB 3.69Å; N21-A29 VanDerWaalsContact N-CB 3.27Å |
| 22 | N | 90.3 | Very high | 88 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 19% | 0.193 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75.6 | -15 | 179.4 | -66 | -29.3 | 0 | 0 | 0 | 112.7 | Y9 S18 R363 | Y9-N22 HydrophobicContact CD1-CB 4.23Å; Y9-N22 HydrophobicContact CE1-CB 3.37Å; Y9-N22 HydrophobicContact CE2-CB 4.28Å; Y9-N22 VanDerWaalsContact OH-CB 3.29Å; Y9-N22 WeakPolarHBondContact OH-CB 3.28Å; Y9-N22 PolarHBondContact OH-O 2.96Å; S18-N22 VanDerWaalsContact O-CB 3.31Å; S18-N22 WeakPolarHBondContact O-CB 3.33Å; S18-N22 PolarHBondContact O-N 3.49Å; S18-N22 PolarHBondContact O-ND2 2.88Å; N22-R363 PolarHBondContact O-NH1 2.95Å |
| 23 | S | 92.5 | Very high | 88.8 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -94.2 | -49.4 | 178.8 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | W19 M20 N21 F359 F360 | W19-S23 WeakPolarHBondContact O-CB 3.4Å; W19-S23 PolarHBondContact O-N 3.17Å; W19-S23 PolarHBondContact O-OG 3Å; M20-S23 PolarHBondContact O-N 3.13Å; N21-S23 VanDerWaalsContact C-N 3.25Å; N21-S23 PolarHBondContact O-N 3.42Å; S23-F359 WeakPolarHBondContact O-CB 3.35Å; S23-F360 WeakPolarHBondContact OG-CB 3.38Å |
| 24 | V | 94.4 | Very high | 90.1 | Very high | 56 Ų | 56 | 25.6 Ų | 25.6 | 34% | 0.339 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -43 | -171.7 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | M20 F28 A356 F359 | M20-V24 PolarHBondContact O-N 3.27Å; V24-F28 HydrophobicContact CB-CB 4.1Å; V24-F28 HydrophobicContact CB-CD1 3.85Å; V24-F28 HydrophobicContact CB-CG 4.04Å; V24-F28 HydrophobicContact CG1-CB 3.69Å; V24-F28 HydrophobicContact CG1-CD1 4Å; V24-F28 HydrophobicContact CG1-CD2 4.17Å; V24-F28 HydrophobicContact CG1-CG 3.69Å; V24-F28 HydrophobicContact CG2-CD1 3.94Å; V24-F28 HydrophobicContact CG2-CE1 4.14Å; V24-F28 HydrophobicContact CG2-CG 4.46Å; V24-A356 HydrophobicContact CG2-CB 3.77Å; V24-F359 HydrophobicContact CG2-CB 4.08Å; V24-F359 HydrophobicContact CG2-CD2 3.78Å; V24-F359 HydrophobicContact CG2-CE2 4.46Å; V24-F359 HydrophobicContact CG2-CG 4.04Å |
| 25 | G | 93 | Very high | 91.2 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 16% | 0.155 | 14% | 0.137 | C | C | . | . | trans | 137.5 | 168.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M20 N21 R27 F28 A29 | M20-G25 PolarHBondContact O-N 3.43Å; N21-G25 VanDerWaalsContact O-CA 3.28Å; N21-G25 WeakPolarHBondContact O-CA 3.32Å; N21-G25 PolarHBondContact O-N 3.46Å; N21-G25 VanDerWaalsContact O-N 3.16Å; G25-R27 PolarHBondContact O-N 2.88Å; G25-F28 PolarHBondContact O-N 3.47Å; G25-A29 WeakPolarHBondContact O-CB 3.36Å; G25-A29 PolarHBondContact O-N 2.99Å | ||
| 26 | P | 92.1 | Very high | 91.7 | Very high | 61 Ų | 61 | 25.3 Ų | 25.3 | 40% | 0.396 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -66.5 | -36.9 | -166.3 | 22.2 | -33.7 | 0 | 0 | 0 | 113.7 | N21 A29 F30 Y429 | N21-P26 WeakPolarHBondContact OD1-CA 3.37Å; N21-P26 VanDerWaalsContact OD1-CB 3.32Å; N21-P26 WeakPolarHBondContact OD1-CB 3.42Å; N21-P26 WeakPolarHBondContact OD1-CD 3.32Å; N21-P26 VanDerWaalsContact OD1-N 3.14Å; P26-A29 PolarHBondContact O-N 3.48Å; P26-F30 WeakPolarHBondContact O-CB 3.29Å; P26-F30 PolarHBondContact O-N 3.21Å; P26-Y429 WeakPolarHBondContact CB-OH 3.37Å; P26-Y429 WeakPolarHBondContact CG-OH 3.4Å |
| 27 | R | 93.5 | Very high | 92.1 | Very high | 127 Ų | 127 | 25.4 Ų | 25.4 | 48% | 0.479 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63.3 | -47 | 178.5 | -174.3 | 173.1 | -179.4 | 178.7 | 1.1 | 111.9 | G25 I31 Y429 | G25-R27 PolarHBondContact O-N 2.88Å; R27-I31 HydrophobicContact CG-CD1 4.04Å; R27-I31 VanDerWaalsContact O-CG1 3.29Å; R27-I31 WeakPolarHBondContact O-CG1 3.49Å; R27-I31 PolarHBondContact O-N 3.19Å; R27-I31 VanDerWaalsContact O-N 3.12Å; R27-Y429 VanDerWaalsContact CA-CZ 3.41Å; R27-Y429 HydrophobicContact CB-CD1 4.08Å; R27-Y429 HydrophobicContact CB-CE1 3.48Å; R27-Y429 VanDerWaalsContact CB-CE1 3.48Å; R27-Y429 HydrophobicContact CB-CE2 4.38Å; R27-Y429 HydrophobicContact CG-CD1 3.72Å; R27-Y429 HydrophobicContact CG-CE1 3.64Å; R27-Y429 HydrophobicContact CG-CG 4.38Å; R27-Y429 PolarHBondContact N-OH 2.92Å |
| 28 | F | 94.1 | Very high | 92.3 | Very high | 51 Ų | 51 | 24.6 Ų | 24.6 | 22% | 0.224 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 178.7 | -176.5 | -89.6 | 0 | 0 | 0 | 110.7 | M20 V24 G25 I31 G32 F352 L355 A356 | M20-F28 HydrophobicContact CB-CD1 4.22Å; M20-F28 HydrophobicContact CG-CD1 4.41Å; M20-F28 HydrophobicContact CG-CE1 4.25Å; M20-F28 HydrophobicContact SD-CD1 4.26Å; M20-F28 HydrophobicContact SD-CE1 3.96Å; V24-F28 HydrophobicContact CB-CB 4.1Å; V24-F28 HydrophobicContact CB-CD1 3.85Å; V24-F28 HydrophobicContact CB-CG 4.04Å; V24-F28 HydrophobicContact CG1-CB 3.69Å; V24-F28 HydrophobicContact CG1-CD1 4Å; V24-F28 HydrophobicContact CG1-CD2 4.17Å; V24-F28 HydrophobicContact CG1-CG 3.69Å; V24-F28 HydrophobicContact CG2-CD1 3.94Å; V24-F28 HydrophobicContact CG2-CE1 4.14Å; V24-F28 HydrophobicContact CG2-CG 4.46Å; G25-F28 PolarHBondContact O-N 3.47Å; F28-I31 PolarHBondContact O-N 2.87Å; F28-G32 PolarHBondContact O-N 2.97Å; F28-F352 HydrophobicContact CD2-CD1 4.36Å; F28-F352 HydrophobicContact CE1-CB 4.17Å; F28-F352 HydrophobicContact CE1-CD1 4.09Å; F28-F352 WeakPolarHBondContact CE1-O 3.1Å; F28-F352 AromaticContact CE2-CD1 3.81Å; F28-F352 HydrophobicContact CE2-CD1 3.81Å; F28-F352 HydrophobicContact CE2-CE1 4.33Å; F28-F352 HydrophobicContact CZ-CB 4.05Å; F28-F352 AromaticContact CZ-CD1 3.66Å; F28-F352 HydrophobicContact CZ-CD1 3.66Å; F28-F352 HydrophobicContact CZ-CG 4.28Å; F28-F352 WeakPolarHBondContact CZ-O 3.26Å; F28-L355 HydrophobicContact CZ-CB 4.1Å; F28-A356 HydrophobicContact CE1-CB 4.08Å |
| 29 | A | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y17 M20 N21 G25 P26 T33 | Y17-A29 HydrophobicContact CD2-CB 3.72Å; Y17-A29 HydrophobicContact CE2-CB 3.73Å; Y17-A29 HydrophobicContact CG-CB 4.49Å; M20-A29 HydrophobicContact CB-CB 3.63Å; N21-A29 VanDerWaalsContact CA-CB 3.49Å; N21-A29 HydrophobicContact CB-CB 3.69Å; N21-A29 VanDerWaalsContact N-CB 3.27Å; G25-A29 WeakPolarHBondContact O-CB 3.36Å; G25-A29 PolarHBondContact O-N 2.99Å; P26-A29 PolarHBondContact O-N 3.48Å; A29-T33 VanDerWaalsContact O-CB 3.24Å; A29-T33 WeakPolarHBondContact O-CB 3.5Å; A29-T33 PolarHBondContact O-N 2.8Å; A29-T33 PolarHBondContact O-OG1 3.42Å |
| 30 | F | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.1 | -50 | 177.2 | 179.2 | -100.3 | 0 | 0 | 0 | 111.2 | Y17 P26 G32 T33 F34 T288 L292 W293 A425 I428 Y429 | Y17-F30 HydrophobicContact CE2-CB 4.38Å; P26-F30 WeakPolarHBondContact O-CB 3.29Å; P26-F30 PolarHBondContact O-N 3.21Å; F30-G32 PolarHBondContact O-N 3.14Å; F30-T33 PolarHBondContact O-N 3.31Å; F30-F34 HydrophobicContact CE1-CB 4.48Å; F30-F34 HydrophobicContact CE1-CD2 4.39Å; F30-F34 AromaticContact CZ-CD2 3.92Å; F30-F34 HydrophobicContact CZ-CD2 3.92Å; F30-F34 VanDerWaalsContact O-CB 3.23Å; F30-F34 WeakPolarHBondContact O-CB 3.36Å; F30-F34 PolarHBondContact O-N 3.46Å; F30-T288 HydrophobicContact CD2-CG2 4.29Å; F30-L292 HydrophobicContact CD2-CD1 3.7Å; F30-L292 HydrophobicContact CD2-CD2 4.15Å; F30-L292 HydrophobicContact CE2-CB 4.49Å; F30-L292 HydrophobicContact CE2-CD1 3.86Å; F30-L292 HydrophobicContact CE2-CD2 3.99Å; F30-L292 HydrophobicContact CE2-CG 4.36Å; F30-L292 HydrophobicContact CZ-CD2 4.26Å; F30-W293 HydrophobicContact CE2-CH2 4.14Å; F30-W293 AromaticContact CE2-CZ2 3.78Å; F30-W293 HydrophobicContact CE2-CZ2 3.78Å; F30-W293 HydrophobicContact CZ-CH2 4.25Å; F30-W293 HydrophobicContact CZ-CZ2 4.33Å; F30-A425 HydrophobicContact CE1-CB 4.3Å; F30-A425 WeakPolarHBondContact CE1-O 3.25Å; F30-I428 HydrophobicContact CE1-CB 4.12Å; F30-I428 HydrophobicContact CE1-CG2 4.03Å; F30-I428 HydrophobicContact CZ-CB 4.1Å; F30-I428 HydrophobicContact CZ-CG2 3.59Å; F30-Y429 HydrophobicContact CB-CD2 3.65Å; F30-Y429 HydrophobicContact CB-CE2 3.96Å; F30-Y429 AromaticContact CD1-CD2 3.67Å; F30-Y429 HydrophobicContact CD1-CD2 3.67Å; F30-Y429 HydrophobicContact CD1-CG 4.14Å; F30-Y429 AromaticContact CG-CD2 3.71Å; F30-Y429 HydrophobicContact CG-CD2 3.71Å; F30-Y429 HydrophobicContact CG-CE2 4.44Å |
| 31 | I | 93.8 | Very high | 92.8 | Very high | 24 Ų | 24 | 24.5 Ų | 24.5 | 12% | 0.123 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 180 | -65.3 | 168.4 | 0 | 0 | 0 | 110.4 | R27 F28 T33 F34 M35 F352 A425 M426 | R27-I31 HydrophobicContact CG-CD1 4.04Å; R27-I31 VanDerWaalsContact O-CG1 3.29Å; R27-I31 WeakPolarHBondContact O-CG1 3.49Å; R27-I31 PolarHBondContact O-N 3.19Å; R27-I31 VanDerWaalsContact O-N 3.12Å; F28-I31 PolarHBondContact O-N 2.87Å; I31-T33 PolarHBondContact O-N 2.87Å; I31-F34 PolarHBondContact O-N 3.25Å; I31-M35 HydrophobicContact CG2-CG 4.4Å; I31-M35 WeakPolarHBondContact O-CB 3.41Å; I31-M35 VanDerWaalsContact O-CG 3.27Å; I31-M35 WeakPolarHBondContact O-CG 3.38Å; I31-M35 PolarHBondContact O-N 3.37Å; I31-F352 HydrophobicContact CB-CE1 4.41Å; I31-F352 HydrophobicContact CG2-CE1 3.76Å; I31-F352 HydrophobicContact CG2-CZ 3.88Å; I31-A425 HydrophobicContact CG1-CB 4.27Å; I31-A425 HydrophobicContact CG2-CB 4.49Å; I31-M426 HydrophobicContact CD1-CG 3.95Å |
| 32 | G | 93.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | F28 F30 M35 W36 F352 | F28-G32 PolarHBondContact O-N 2.97Å; F30-G32 PolarHBondContact O-N 3.14Å; G32-M35 PolarHBondContact O-N 2.88Å; G32-W36 WeakPolarHBondContact O-CB 3.35Å; G32-W36 PolarHBondContact O-N 3.41Å; G32-F352 VanDerWaalsContact CA-CD1 3.49Å |
| 33 | T | 91.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.4 | -37.3 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | I16 Y17 M20 A29 F30 I31 W36 F37 I284 | I16-T33 HydrophobicContact CD1-CG2 4.18Å; I16-T33 HydrophobicContact CG1-CG2 4.27Å; Y17-T33 WeakPolarHBondContact CA-OG1 3.38Å; Y17-T33 WeakPolarHBondContact CB-OG1 3.36Å; M20-T33 WeakPolarHBondContact CE-OG1 3.29Å; A29-T33 VanDerWaalsContact O-CB 3.24Å; A29-T33 WeakPolarHBondContact O-CB 3.5Å; A29-T33 PolarHBondContact O-N 2.8Å; A29-T33 PolarHBondContact O-OG1 3.42Å; F30-T33 PolarHBondContact O-N 3.31Å; I31-T33 PolarHBondContact O-N 2.87Å; T33-W36 WeakPolarHBondContact O-CB 3.41Å; T33-W36 PolarHBondContact O-N 3.49Å; T33-F37 PolarHBondContact O-N 3.36Å; T33-I284 HydrophobicContact CG2-CD1 4.48Å; T33-I284 HydrophobicContact CG2-CG1 4.13Å |
| 34 | F | 93.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 21.6 Ų | 21.6 | 4% | 0.039 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.5 | -39.4 | 175.8 | -166.5 | -86.6 | 0 | 0 | 0 | 111.9 | F30 I31 W36 F37 S38 I284 W293 F421 L424 A425 I428 | F30-F34 HydrophobicContact CE1-CB 4.48Å; F30-F34 HydrophobicContact CE1-CD2 4.39Å; F30-F34 AromaticContact CZ-CD2 3.92Å; F30-F34 HydrophobicContact CZ-CD2 3.92Å; F30-F34 VanDerWaalsContact O-CB 3.23Å; F30-F34 WeakPolarHBondContact O-CB 3.36Å; F30-F34 PolarHBondContact O-N 3.46Å; I31-F34 PolarHBondContact O-N 3.25Å; F34-W36 VanDerWaalsContact C-N 3.34Å; F34-F37 PolarHBondContact O-N 3.46Å; F34-S38 WeakPolarHBondContact CD1-OG 3.2Å; F34-S38 WeakPolarHBondContact CE1-OG 3.39Å; F34-S38 VanDerWaalsContact O-CB 3.26Å; F34-S38 WeakPolarHBondContact O-CB 3.43Å; F34-S38 PolarHBondContact O-N 2.96Å; F34-S38 PolarHBondContact O-OG 2.86Å; F34-I284 HydrophobicContact CB-CD1 4.08Å; F34-I284 HydrophobicContact CD2-CD1 3.69Å; F34-I284 HydrophobicContact CG-CD1 4.23Å; F34-W293 AromaticContact CD2-CH2 3.97Å; F34-W293 HydrophobicContact CD2-CH2 3.97Å; F34-W293 AromaticContact CE2-CH2 3.94Å; F34-W293 HydrophobicContact CE2-CH2 3.94Å; F34-W293 HydrophobicContact CE2-CZ3 4.28Å; F34-F421 HydrophobicContact CE1-CB 4.42Å; F34-F421 HydrophobicContact CE1-CD1 4.03Å; F34-L424 HydrophobicContact CE1-CB 4.33Å; F34-L424 HydrophobicContact CE1-CD2 4.15Å; F34-L424 HydrophobicContact CE1-CG 4.18Å; F34-L424 HydrophobicContact CZ-CD2 3.82Å; F34-L424 HydrophobicContact CZ-CG 3.94Å; F34-A425 HydrophobicContact CB-CB 3.93Å; F34-A425 HydrophobicContact CD1-CB 3.54Å; F34-A425 HydrophobicContact CE1-CB 4.2Å; F34-A425 HydrophobicContact CG-CB 3.81Å; F34-I428 HydrophobicContact CD2-CD1 4.43Å; F34-I428 HydrophobicContact CE2-CD1 3.61Å; F34-I428 HydrophobicContact CZ-CD1 3.81Å |
| 35 | M | 92.8 | Very high | 93 | Very high | 9 Ų | 9 | 19 Ų | 19 | 4% | 0.044 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 172.9 | -71.9 | -59.4 | -64.9 | 0 | 0 | 111.8 | I31 G32 S38 S39 L348 F352 P418 F421 S422 | I31-M35 HydrophobicContact CG2-CG 4.4Å; I31-M35 WeakPolarHBondContact O-CB 3.41Å; I31-M35 VanDerWaalsContact O-CG 3.27Å; I31-M35 WeakPolarHBondContact O-CG 3.38Å; I31-M35 PolarHBondContact O-N 3.37Å; G32-M35 PolarHBondContact O-N 2.88Å; M35-S38 PolarHBondContact O-N 3.34Å; M35-S39 PolarHBondContact O-N 3.21Å; M35-L348 HydrophobicContact CE-CD1 3.88Å; M35-F352 HydrophobicContact CB-CE2 4.19Å; M35-F352 HydrophobicContact CG-CE2 4.04Å; M35-F352 HydrophobicContact CG-CZ 4.17Å; M35-P418 HydrophobicContact CE-CB 4.18Å; M35-F421 HydrophobicContact SD-CB 3.89Å; M35-S422 PolarHBondContact SD-OG 3.34Å; M35-S422 VanDerWaalsContact SD-OG 3.37Å |
| 36 | W | 91.2 | Very high | 93.1 | Very high | 27 Ų | 27 | 18.5 Ų | 18.5 | 10% | 0.102 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 172.1 | 177.9 | 78.8 | 0 | 0 | 0 | 113.1 | I16 G32 T33 F34 S38 S39 Y40 P280 A283 P349 | I16-W36 HydrophobicContact CD1-CB 3.73Å; I16-W36 HydrophobicContact CD1-CD2 3.3Å; I16-W36 HydrophobicContact CD1-CE3 3.5Å; I16-W36 HydrophobicContact CD1-CG 3.43Å; I16-W36 VanDerWaalsContact CD1-CG 3.43Å; I16-W36 HydrophobicContact CD1-CZ3 4.22Å; I16-W36 HydrophobicContact CG1-CE3 4.46Å; G32-W36 WeakPolarHBondContact O-CB 3.35Å; G32-W36 PolarHBondContact O-N 3.41Å; T33-W36 WeakPolarHBondContact O-CB 3.41Å; T33-W36 PolarHBondContact O-N 3.49Å; F34-W36 VanDerWaalsContact C-N 3.34Å; W36-S38 VanDerWaalsContact C-N 3.33Å; W36-S38 PolarHBondContact O-N 3.03Å; W36-S39 PolarHBondContact O-N 2.97Å; W36-S39 PolarHBondContact O-OG 2.88Å; W36-Y40 HydrophobicContact CD2-CE2 4.04Å; W36-Y40 AromaticContact CE2-CE2 3.49Å; W36-Y40 VanDerWaalsContact CE2-CE2 3.49Å; W36-Y40 HydrophobicContact CH2-CE2 4.25Å; W36-Y40 AromaticContact CZ2-CE2 3.61Å; W36-Y40 HydrophobicContact CZ2-CE2 3.61Å; W36-Y40 AromaticContact NE1-CE2 3.62Å; W36-Y40 VanDerWaalsContact O-CD2 3.26Å; W36-Y40 WeakPolarHBondContact O-CD2 3.45Å; W36-P280 HydrophobicContact CH2-CB 4.04Å; W36-P280 HydrophobicContact CZ3-CB 3.94Å; W36-A283 HydrophobicContact CH2-CB 4.14Å; W36-A283 HydrophobicContact CZ3-CB 3.92Å; W36-P349 VanDerWaalsContact CA-CG 3.45Å; W36-P349 HydrophobicContact CB-CB 3.88Å; W36-P349 HydrophobicContact CB-CG 3.8Å; W36-P349 HydrophobicContact CG-CB 4.27Å; W36-P349 HydrophobicContact CG-CG 4.31Å |
| 37 | F | 92.1 | Very high | 93.1 | Very high | 19 Ų | 19 | 15.9 Ų | 15.9 | 8% | 0.083 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 172.4 | 167.8 | -104.9 | 0 | 0 | 0 | 111.8 | T33 F34 S39 Y40 I41 P280 L281 I284 Q313 | T33-F37 PolarHBondContact O-N 3.36Å; F34-F37 PolarHBondContact O-N 3.46Å; F37-S39 VanDerWaalsContact C-N 3.28Å; F37-S39 PolarHBondContact O-N 3.31Å; F37-Y40 WeakPolarHBondContact O-CB 3.35Å; F37-Y40 PolarHBondContact O-N 3.01Å; F37-I41 HydrophobicContact CD1-CG1 4.43Å; F37-I41 HydrophobicContact CE1-CD1 4Å; F37-I41 HydrophobicContact CE1-CG1 3.97Å; F37-I41 HydrophobicContact CE2-CD1 4.2Å; F37-I41 HydrophobicContact CZ-CD1 3.66Å; F37-I41 HydrophobicContact CZ-CG1 4.12Å; F37-I41 PolarHBondContact O-N 3.45Å; F37-P280 HydrophobicContact CD2-CB 4.11Å; F37-L281 HydrophobicContact CE2-CB 3.96Å; F37-L281 HydrophobicContact CE2-CD1 3.63Å; F37-L281 HydrophobicContact CE2-CG 4.42Å; F37-L281 HydrophobicContact CZ-CD1 3.71Å; F37-I284 HydrophobicContact CB-CB 4.33Å; F37-I284 HydrophobicContact CB-CD1 3.63Å; F37-I284 HydrophobicContact CB-CG2 4.32Å; F37-I284 HydrophobicContact CD1-CD1 4.16Å; F37-I284 HydrophobicContact CD1-CG2 4.48Å; F37-I284 HydrophobicContact CD2-CG2 3.81Å; F37-I284 HydrophobicContact CE2-CG2 4.23Å; F37-I284 HydrophobicContact CG-CB 4.47Å; F37-I284 HydrophobicContact CG-CD1 3.98Å; F37-I284 HydrophobicContact CG-CG2 3.94Å; F37-Q313 VanDerWaalsContact CE2-OE1 3.26Å |
| 38 | S | 93.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.014 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64.6 | -30.9 | -178.9 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | F34 M35 W36 Y40 I41 I42 F421 | F34-S38 WeakPolarHBondContact CD1-OG 3.2Å; F34-S38 WeakPolarHBondContact CE1-OG 3.39Å; F34-S38 VanDerWaalsContact O-CB 3.26Å; F34-S38 WeakPolarHBondContact O-CB 3.43Å; F34-S38 PolarHBondContact O-N 2.96Å; F34-S38 PolarHBondContact O-OG 2.86Å; M35-S38 PolarHBondContact O-N 3.34Å; W36-S38 VanDerWaalsContact C-N 3.33Å; W36-S38 PolarHBondContact O-N 3.03Å; S38-Y40 VanDerWaalsContact C-N 3.27Å; S38-Y40 PolarHBondContact O-N 3.26Å; S38-I41 VanDerWaalsContact O-CB 3.29Å; S38-I41 WeakPolarHBondContact O-CB 3.4Å; S38-I41 PolarHBondContact O-N 3.27Å; S38-I41 VanDerWaalsContact O-N 3.1Å; S38-I42 PolarHBondContact O-N 2.83Å; S38-I42 VanDerWaalsContact O-N 3.13Å; S38-F421 WeakPolarHBondContact OG-CD1 3.38Å; S38-F421 WeakPolarHBondContact OG-CG 3.44Å |
| 39 | S | 92.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 7.4 Ų | 7.4 | 1% | 0.014 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.2 | -34.4 | 173.7 | 73.2 | 0 | 0 | 0 | 0 | 112.2 | M35 W36 F37 I42 W43 S345 M346 | M35-S39 PolarHBondContact O-N 3.21Å; W36-S39 PolarHBondContact O-N 2.97Å; W36-S39 PolarHBondContact O-OG 2.88Å; F37-S39 VanDerWaalsContact C-N 3.28Å; F37-S39 PolarHBondContact O-N 3.31Å; S39-I42 PolarHBondContact O-N 3.01Å; S39-W43 WeakPolarHBondContact O-CB 3.05Å; S39-W43 PolarHBondContact O-N 3.1Å; S39-S345 VanDerWaalsContact CB-C 3.41Å; S39-S345 WeakPolarHBondContact CB-O 3.5Å; S39-M346 VanDerWaalsContact CB-SD 3.6Å; S39-M346 PolarHBondContact OG-SD 2.71Å |
| 40 | Y | 92.2 | Very high | 93.2 | Very high | 16 Ų | 16 | 8.6 Ų | 8.6 | 6% | 0.063 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -69.4 | -30.6 | 171.4 | -71.9 | -74.9 | 0 | 0 | 0 | 113.1 | W36 F37 S38 W43 M44 L276 P280 M346 | W36-Y40 HydrophobicContact CD2-CE2 4.04Å; W36-Y40 AromaticContact CE2-CE2 3.49Å; W36-Y40 VanDerWaalsContact CE2-CE2 3.49Å; W36-Y40 HydrophobicContact CH2-CE2 4.25Å; W36-Y40 AromaticContact CZ2-CE2 3.61Å; W36-Y40 HydrophobicContact CZ2-CE2 3.61Å; W36-Y40 AromaticContact NE1-CE2 3.62Å; W36-Y40 VanDerWaalsContact O-CD2 3.26Å; W36-Y40 WeakPolarHBondContact O-CD2 3.45Å; F37-Y40 WeakPolarHBondContact O-CB 3.35Å; F37-Y40 PolarHBondContact O-N 3.01Å; S38-Y40 VanDerWaalsContact C-N 3.27Å; S38-Y40 PolarHBondContact O-N 3.26Å; Y40-W43 PolarHBondContact O-N 3.41Å; Y40-M44 VanDerWaalsContact O-CG 3.26Å; Y40-M44 WeakPolarHBondContact O-CG 3.32Å; Y40-M44 PolarHBondContact O-N 3.23Å; Y40-L276 HydrophobicContact CD1-CB 4.38Å; Y40-L276 HydrophobicContact CD1-CD1 4.41Å; Y40-L276 HydrophobicContact CD1-CD2 4.16Å; Y40-L276 HydrophobicContact CE1-CD1 4.18Å; Y40-L276 HydrophobicContact CE1-CD2 3.63Å; Y40-L276 HydrophobicContact CE1-CG 4.37Å; Y40-P280 HydrophobicContact CD1-CG 3.95Å; Y40-P280 HydrophobicContact CD2-CB 3.56Å; Y40-P280 HydrophobicContact CD2-CG 3.38Å; Y40-P280 HydrophobicContact CE1-CG 4.26Å; Y40-P280 HydrophobicContact CE2-CB 4.07Å; Y40-P280 HydrophobicContact CE2-CG 3.72Å; Y40-P280 HydrophobicContact CG-CB 4.02Å; Y40-P280 HydrophobicContact CG-CG 3.5Å; Y40-P280 VanDerWaalsContact CG-CG 3.5Å; Y40-M346 HydrophobicContact CD1-CE 4.49Å; Y40-M346 HydrophobicContact CD1-SD 4.39Å; Y40-M346 HydrophobicContact CE1-CE 3.98Å; Y40-M346 HydrophobicContact CE1-SD 4.43Å |
| 41 | I | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -59.5 | -49.7 | 170.9 | -58.9 | -59.5 | 0 | 0 | 0 | 110 | F37 S38 W43 M44 V45 Q313 L316 V317 F421 | F37-I41 HydrophobicContact CD1-CG1 4.43Å; F37-I41 HydrophobicContact CE1-CD1 4Å; F37-I41 HydrophobicContact CE1-CG1 3.97Å; F37-I41 HydrophobicContact CE2-CD1 4.2Å; F37-I41 HydrophobicContact CZ-CD1 3.66Å; F37-I41 HydrophobicContact CZ-CG1 4.12Å; F37-I41 PolarHBondContact O-N 3.45Å; S38-I41 VanDerWaalsContact O-CB 3.29Å; S38-I41 WeakPolarHBondContact O-CB 3.4Å; S38-I41 PolarHBondContact O-N 3.27Å; S38-I41 VanDerWaalsContact O-N 3.1Å; I41-W43 VanDerWaalsContact C-N 3.33Å; I41-W43 PolarHBondContact O-N 2.92Å; I41-M44 WeakPolarHBondContact O-CB 3.28Å; I41-M44 PolarHBondContact O-N 2.9Å; I41-M44 VanDerWaalsContact O-N 3.14Å; I41-V45 WeakPolarHBondContact O-CG2 3.48Å; I41-V45 PolarHBondContact O-N 3.44Å; I41-Q313 HydrophobicContact CD1-CG 3.51Å; I41-L316 HydrophobicContact CG2-CD2 4.31Å; I41-L316 HydrophobicContact CG2-CG 4.42Å; I41-V317 HydrophobicContact CD1-CG2 4.19Å; I41-V317 HydrophobicContact CG2-CG2 3.86Å; I41-F421 HydrophobicContact CB-CZ 4.27Å; I41-F421 HydrophobicContact CG2-CZ 3.97Å |
| 42 | I | 93.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 1% | 0.01 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 177.8 | -59.9 | -54.9 | 0 | 0 | 0 | 111.5 | S38 S39 M44 V45 S46 F320 M341 A342 F421 | S38-I42 PolarHBondContact O-N 2.83Å; S38-I42 VanDerWaalsContact O-N 3.13Å; S39-I42 PolarHBondContact O-N 3.01Å; I42-M44 VanDerWaalsContact C-N 3.31Å; I42-M44 PolarHBondContact O-N 3.44Å; I42-V45 WeakPolarHBondContact O-CB 3.49Å; I42-V45 PolarHBondContact O-N 3.49Å; I42-S46 PolarHBondContact O-N 2.96Å; I42-F320 HydrophobicContact CD1-CD1 4.36Å; I42-F320 HydrophobicContact CD1-CE1 4.38Å; I42-M341 HydrophobicContact CG2-CB 3.77Å; I42-A342 HydrophobicContact CG2-CB 4.3Å; I42-F421 HydrophobicContact CD1-CE2 3.89Å; I42-F421 HydrophobicContact CG1-CE2 4.11Å |
| 43 | W | 92.5 | Very high | 93.6 | Very high | 30 Ų | 30 | 9.3 Ų | 9.3 | 11% | 0.114 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -59.9 | -40 | 172.1 | 178.5 | 89 | 0 | 0 | 0 | 112.2 | S39 Y40 I41 S46 T47 A272 F273 L276 M346 | S39-W43 WeakPolarHBondContact O-CB 3.05Å; S39-W43 PolarHBondContact O-N 3.1Å; Y40-W43 PolarHBondContact O-N 3.41Å; I41-W43 VanDerWaalsContact C-N 3.33Å; I41-W43 PolarHBondContact O-N 2.92Å; W43-S46 PolarHBondContact O-N 3.32Å; W43-T47 HydrophobicContact CH2-CG2 3.99Å; W43-T47 HydrophobicContact CZ2-CG2 3.84Å; W43-T47 PolarHBondContact NE1-OG1 2.92Å; W43-T47 VanDerWaalsContact O-CB 3.23Å; W43-T47 WeakPolarHBondContact O-CB 3.33Å; W43-T47 PolarHBondContact O-N 3.4Å; W43-T47 PolarHBondContact O-OG1 3.43Å; W43-A272 HydrophobicContact CH2-CB 4.34Å; W43-A272 HydrophobicContact CZ2-CB 4.45Å; W43-F273 HydrophobicContact CH2-CB 4.2Å; W43-F273 HydrophobicContact CH2-CD2 4.1Å; W43-F273 HydrophobicContact CH2-CG 4.32Å; W43-F273 HydrophobicContact CZ3-CB 4.45Å; W43-F273 AromaticContact CZ3-CD2 3.97Å; W43-F273 HydrophobicContact CZ3-CD2 3.97Å; W43-F273 HydrophobicContact CZ3-CE2 4.41Å; W43-F273 HydrophobicContact CZ3-CG 4.17Å; W43-L276 HydrophobicContact CD2-CD1 4.26Å; W43-L276 HydrophobicContact CE3-CB 4.24Å; W43-L276 HydrophobicContact CE3-CD1 4.14Å; W43-L276 HydrophobicContact CH2-CB 4.19Å; W43-L276 HydrophobicContact CH2-CD1 3.64Å; W43-L276 HydrophobicContact CH2-CG 4.46Å; W43-L276 HydrophobicContact CZ2-CD1 3.72Å; W43-L276 HydrophobicContact CZ3-CB 3.75Å; W43-L276 HydrophobicContact CZ3-CD1 3.85Å; W43-L276 HydrophobicContact CZ3-CG 4.43Å; W43-M346 HydrophobicContact CB-SD 4.43Å |
| 44 | M | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 175.1 | -72.7 | 176.4 | -137.1 | 0 | 0 | 111.6 | Y40 I41 I42 S46 T47 S48 M87 F273 L276 C277 Q313 V317 | Y40-M44 VanDerWaalsContact O-CG 3.26Å; Y40-M44 WeakPolarHBondContact O-CG 3.32Å; Y40-M44 PolarHBondContact O-N 3.23Å; I41-M44 WeakPolarHBondContact O-CB 3.28Å; I41-M44 PolarHBondContact O-N 2.9Å; I41-M44 VanDerWaalsContact O-N 3.14Å; I42-M44 VanDerWaalsContact C-N 3.31Å; I42-M44 PolarHBondContact O-N 3.44Å; M44-S46 PolarHBondContact O-N 3.28Å; M44-T47 PolarHBondContact O-N 3.28Å; M44-S48 WeakPolarHBondContact O-CB 3.26Å; M44-S48 PolarHBondContact O-N 2.86Å; M44-S48 PolarHBondContact O-OG 3.28Å; M44-M87 HydrophobicContact SD-CE 4.2Å; M44-F273 HydrophobicContact CB-CE1 4.35Å; M44-F273 HydrophobicContact CB-CE2 4.22Å; M44-F273 HydrophobicContact CB-CZ 3.7Å; M44-F273 HydrophobicContact CG-CE1 4.03Å; M44-F273 HydrophobicContact CG-CE2 4.37Å; M44-F273 HydrophobicContact CG-CZ 3.83Å; M44-F273 WeakPolarHBondContact O-CE2 3.15Å; M44-F273 HydrophobicContact SD-CE1 4.49Å; M44-L276 WeakPolarHBondContact CE-O 3.49Å; M44-C277 HydrophobicContact SD-CB 4.34Å; M44-Q313 HydrophobicContact SD-CG 4.41Å; M44-Q313 PolarHBondContact SD-NE2 2.98Å; M44-Q313 VanDerWaalsContact SD-NE2 3.4Å; M44-V317 HydrophobicContact CB-CG1 4.22Å; M44-V317 HydrophobicContact CB-CG2 4.11Å; M44-V317 HydrophobicContact SD-CG2 4.28Å |
| 45 | V | 94.2 | Very high | 94 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.012 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 174.3 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | I41 I42 S48 V317 F320 I321 L338 | I41-V45 WeakPolarHBondContact O-CG2 3.48Å; I41-V45 PolarHBondContact O-N 3.44Å; I42-V45 WeakPolarHBondContact O-CB 3.49Å; I42-V45 PolarHBondContact O-N 3.49Å; V45-S48 PolarHBondContact O-OG 3.03Å; V45-V317 HydrophobicContact CG2-CG1 3.96Å; V45-F320 HydrophobicContact CG1-CB 4.21Å; V45-F320 HydrophobicContact CG2-CB 3.5Å; V45-F320 HydrophobicContact CG2-CG 4.37Å; V45-I321 HydrophobicContact CB-CG1 4.34Å; V45-I321 HydrophobicContact CG1-CG1 3.96Å; V45-I321 HydrophobicContact CG2-CG1 4.33Å; V45-L338 HydrophobicContact CG1-CD2 3.9Å |
| 46 | S | 93.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 11.1 Ų | 11.1 | 3% | 0.028 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63.7 | -50 | 177.4 | 164.2 | 0 | 0 | 0 | 0 | 112.5 | I42 W43 M44 S48 A49 K50 | I42-S46 PolarHBondContact O-N 2.96Å; W43-S46 PolarHBondContact O-N 3.32Å; M44-S46 PolarHBondContact O-N 3.28Å; S46-S48 PolarHBondContact O-N 2.89Å; S46-A49 PolarHBondContact O-N 3.31Å; S46-K50 WeakPolarHBondContact O-CG 3.23Å; S46-K50 PolarHBondContact O-N 2.88Å |
| 47 | T | 93.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 9.8 Ų | 9.8 | 4% | 0.037 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -73.5 | -31.2 | -170.5 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | W43 M44 A49 K50 V51 Y269 F273 | W43-T47 HydrophobicContact CH2-CG2 3.99Å; W43-T47 HydrophobicContact CZ2-CG2 3.84Å; W43-T47 PolarHBondContact NE1-OG1 2.92Å; W43-T47 VanDerWaalsContact O-CB 3.23Å; W43-T47 WeakPolarHBondContact O-CB 3.33Å; W43-T47 PolarHBondContact O-N 3.4Å; W43-T47 PolarHBondContact O-OG1 3.43Å; M44-T47 PolarHBondContact O-N 3.28Å; T47-A49 VanDerWaalsContact C-N 3.28Å; T47-A49 PolarHBondContact O-N 2.68Å; T47-K50 PolarHBondContact O-N 3.05Å; T47-V51 WeakPolarHBondContact O-CB 3.22Å; T47-V51 PolarHBondContact O-N 2.62Å; T47-Y269 HydrophobicContact CG2-CD1 4.18Å; T47-Y269 HydrophobicContact CG2-CG 4.29Å; T47-F273 HydrophobicContact CG2-CD2 3.84Å; T47-F273 HydrophobicContact CG2-CE2 4.34Å |
| 48 | S | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.4 | -30.2 | 177.4 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | M44 V45 S46 V51 W52 A83 I321 | M44-S48 WeakPolarHBondContact O-CB 3.26Å; M44-S48 PolarHBondContact O-N 2.86Å; M44-S48 PolarHBondContact O-OG 3.28Å; V45-S48 PolarHBondContact O-OG 3.03Å; S46-S48 PolarHBondContact O-N 2.89Å; S48-V51 WeakPolarHBondContact O-CG1 3.28Å; S48-W52 VanDerWaalsContact O-CD1 3.32Å; S48-W52 PolarHBondContact O-NE1 3.44Å; S48-A83 VanDerWaalsContact C-CB 3.47Å; S48-A83 WeakPolarHBondContact O-CA 3.37Å; S48-A83 WeakPolarHBondContact O-CB 3.29Å; S48-I321 VanDerWaalsContact OG-CD1 3.27Å; S48-I321 WeakPolarHBondContact OG-CD1 3.44Å |
| 49 | A | 93.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -78.1 | -46.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S46 T47 V51 W52 V79 A83 F334 F335 L338 | S46-A49 PolarHBondContact O-N 3.31Å; T47-A49 VanDerWaalsContact C-N 3.28Å; T47-A49 PolarHBondContact O-N 2.68Å; A49-V51 VanDerWaalsContact C-N 3.26Å; A49-V51 PolarHBondContact O-N 3.44Å; A49-W52 PolarHBondContact O-N 3.29Å; A49-V79 HydrophobicContact CB-CG1 3.92Å; A49-A83 HydrophobicContact CB-CB 4.24Å; A49-F334 HydrophobicContact CB-CE1 3.91Å; A49-F334 HydrophobicContact CB-CZ 3.89Å; A49-F335 HydrophobicContact CB-CE1 4.33Å; A49-L338 HydrophobicContact CB-CD1 3.69Å |
| 50 | K | 93.8 | Very high | 95.3 | Very high | 25 Ų | 25 | 21.8 Ų | 21.8 | 11% | 0.109 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.7 | -26.1 | -177.4 | -75.3 | 179.7 | 178.6 | -178.5 | 0 | 114.1 | S46 T47 W52 V53 P54 F335 T339 | S46-K50 WeakPolarHBondContact O-CG 3.23Å; S46-K50 PolarHBondContact O-N 2.88Å; T47-K50 PolarHBondContact O-N 3.05Å; K50-W52 PolarHBondContact O-N 3.31Å; K50-W52 VanDerWaalsContact O-N 3.14Å; K50-V53 WeakPolarHBondContact O-CB 3.38Å; K50-V53 PolarHBondContact O-N 2.93Å; K50-V53 VanDerWaalsContact O-N 3.09Å; K50-P54 WeakPolarHBondContact O-CD 3.24Å; K50-F335 HydrophobicContact CG-CD1 3.89Å; K50-F335 HydrophobicContact CG-CE1 4.12Å; K50-T339 VanDerWaalsContact CE-OG1 3.24Å; K50-T339 WeakPolarHBondContact CE-OG1 3.41Å; K50-T339 PolarHBondContact NZ-OG1 2.8Å |
| 51 | V | 95.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.5 | -179.8 | 79 | 0 | 0 | 0 | 0 | 112.9 | T47 S48 A49 P54 F55 W86 F266 | T47-V51 WeakPolarHBondContact O-CB 3.22Å; T47-V51 PolarHBondContact O-N 2.62Å; S48-V51 WeakPolarHBondContact O-CG1 3.28Å; A49-V51 VanDerWaalsContact C-N 3.26Å; A49-V51 PolarHBondContact O-N 3.44Å; V51-P54 VanDerWaalsContact O-CD 3.32Å; V51-P54 WeakPolarHBondContact O-CD 3.29Å; V51-P54 WeakPolarHBondContact O-CG 3.31Å; V51-F55 PolarHBondContact O-N 2.68Å; V51-W86 HydrophobicContact CG1-CD2 4.07Å; V51-W86 HydrophobicContact CG1-CG 4.1Å; V51-W86 HydrophobicContact CG2-CZ2 4.23Å; V51-F266 HydrophobicContact CG2-CD2 3.73Å; V51-F266 HydrophobicContact CG2-CE2 3.81Å |
| 52 | W | 96.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 22.9 Ų | 22.9 | 14% | 0.144 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -77.6 | -21.4 | 179.6 | -61 | 109.4 | 0 | 0 | 0 | 113.7 | S48 A49 K50 F55 S56 T65 W68 L82 W86 | S48-W52 VanDerWaalsContact O-CD1 3.32Å; S48-W52 PolarHBondContact O-NE1 3.44Å; A49-W52 PolarHBondContact O-N 3.29Å; K50-W52 PolarHBondContact O-N 3.31Å; K50-W52 VanDerWaalsContact O-N 3.14Å; W52-F55 HydrophobicContact CE3-CB 4.48Å; W52-F55 AromaticContact CE3-CD1 3.87Å; W52-F55 HydrophobicContact CE3-CD1 3.87Å; W52-F55 HydrophobicContact CE3-CG 4.4Å; W52-F55 HydrophobicContact CZ3-CD1 4.02Å; W52-F55 HydrophobicContact CZ3-CE1 4.26Å; W52-S56 VanDerWaalsContact O-CB 3.27Å; W52-S56 WeakPolarHBondContact O-CB 3.33Å; W52-S56 PolarHBondContact O-N 3Å; W52-T65 HydrophobicContact CB-CG2 4.19Å; W52-W68 HydrophobicContact CB-CH2 4.44Å; W52-W68 HydrophobicContact CB-CZ3 4.08Å; W52-L82 HydrophobicContact CD2-CB 4.04Å; W52-L82 HydrophobicContact CD2-CD1 4.29Å; W52-L82 HydrophobicContact CG-CB 4.28Å; W52-L82 HydrophobicContact CZ2-CB 3.83Å; W52-L82 HydrophobicContact CZ2-CD2 4.45Å; W52-L82 WeakPolarHBondContact CZ2-O 3.32Å; W52-L82 VanDerWaalsContact NE1-C 3.26Å; W52-L82 PolarHBondContact NE1-O 3.41Å; W52-W86 HydrophobicContact CZ2-CB 4.04Å |
| 53 | V | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.6 | -52.3 | 176.9 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | K50 F55 S56 T57 D63 T65 G225 N226 Y229 F335 | K50-V53 WeakPolarHBondContact O-CB 3.38Å; K50-V53 PolarHBondContact O-N 2.93Å; K50-V53 VanDerWaalsContact O-N 3.09Å; V53-F55 VanDerWaalsContact C-N 3.27Å; V53-F55 PolarHBondContact O-N 2.77Å; V53-S56 PolarHBondContact O-N 3.38Å; V53-T57 WeakPolarHBondContact O-CB 3.19Å; V53-T57 PolarHBondContact O-N 3.42Å; V53-T57 PolarHBondContact O-OG1 3.12Å; V53-D63 HydrophobicContact CG1-CB 3.99Å; V53-T65 HydrophobicContact CG2-CG2 4.19Å; V53-G225 WeakPolarHBondContact CG1-O 3.31Å; V53-N226 HydrophobicContact CG1-CB 3.53Å; V53-Y229 HydrophobicContact CB-CE2 4.19Å; V53-Y229 HydrophobicContact CG1-CD2 3.84Å; V53-Y229 HydrophobicContact CG1-CE2 3.55Å; V53-F335 HydrophobicContact CG2-CE1 3.83Å; V53-F335 HydrophobicContact CG2-CE2 3.98Å; V53-F335 HydrophobicContact CG2-CZ 3.44Å; V53-F335 VanDerWaalsContact CG2-CZ 3.44Å |
| 54 | P | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.7 | -37.2 | 172 | 14.1 | -18.9 | 0 | 0 | 0 | 112 | K50 V51 T57 F58 Y229 G262 M265 F266 Y269 | K50-P54 WeakPolarHBondContact O-CD 3.24Å; V51-P54 VanDerWaalsContact O-CD 3.32Å; V51-P54 WeakPolarHBondContact O-CD 3.29Å; V51-P54 WeakPolarHBondContact O-CG 3.31Å; P54-T57 PolarHBondContact O-N 3.45Å; P54-F58 WeakPolarHBondContact O-CB 3.48Å; P54-F58 PolarHBondContact O-N 3.47Å; P54-Y229 HydrophobicContact CB-CE1 3.79Å; P54-Y229 HydrophobicContact CB-CE2 4.39Å; P54-Y229 WeakPolarHBondContact CB-OH 3.23Å; P54-Y229 WeakPolarHBondContact CD-OH 3.27Å; P54-Y229 VanDerWaalsContact CG-OH 3.23Å; P54-Y229 WeakPolarHBondContact CG-OH 3.31Å; P54-G262 WeakPolarHBondContact CB-O 3.4Å; P54-G262 CarbonylContact O-C 3.58Å; P54-G262 WeakPolarHBondContact O-CA 3.23Å; P54-M265 HydrophobicContact CB-CB 3.87Å; P54-M265 HydrophobicContact CG-CB 4.32Å; P54-F266 HydrophobicContact CB-CB 4.15Å; P54-F266 HydrophobicContact CG-CB 4.43Å; P54-Y269 HydrophobicContact CG-CD2 3.85Å; P54-Y269 HydrophobicContact CG-CE2 3.96Å |
| 55 | F | 97.1 | Very high | 95.6 | Very high | 58 Ų | 58 | 24.9 Ų | 24.9 | 25% | 0.254 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 177.2 | -172.5 | -110.7 | 0 | 0 | 0 | 111.5 | V51 W52 V53 T57 F58 L59 F266 | V51-F55 PolarHBondContact O-N 2.68Å; W52-F55 HydrophobicContact CE3-CB 4.48Å; W52-F55 AromaticContact CE3-CD1 3.87Å; W52-F55 HydrophobicContact CE3-CD1 3.87Å; W52-F55 HydrophobicContact CE3-CG 4.4Å; W52-F55 HydrophobicContact CZ3-CD1 4.02Å; W52-F55 HydrophobicContact CZ3-CE1 4.26Å; V53-F55 VanDerWaalsContact C-N 3.27Å; V53-F55 PolarHBondContact O-N 2.77Å; F55-T57 VanDerWaalsContact C-N 3.33Å; F55-T57 PolarHBondContact O-N 3.43Å; F55-F58 WeakPolarHBondContact O-CB 3.46Å; F55-F58 PolarHBondContact O-N 3.17Å; F55-L59 HydrophobicContact CD1-CD1 4.02Å; F55-L59 HydrophobicContact CE1-CD1 3.48Å; F55-L59 VanDerWaalsContact CE1-CD1 3.48Å; F55-L59 HydrophobicContact CE1-CG 4.45Å; F55-L59 HydrophobicContact CE2-CD1 4.37Å; F55-L59 HydrophobicContact CZ-CD1 3.69Å; F55-L59 HydrophobicContact CZ-CG 4.39Å; F55-L59 WeakPolarHBondContact O-CG 3.43Å; F55-L59 PolarHBondContact O-N 3.31Å; F55-L59 VanDerWaalsContact O-N 3.1Å; F55-F266 HydrophobicContact CB-CD2 3.72Å; F55-F266 HydrophobicContact CB-CE2 3.94Å; F55-F266 HydrophobicContact CB-CG 4.44Å; F55-F266 HydrophobicContact CD2-CD1 4.33Å; F55-F266 AromaticContact CD2-CD2 3.98Å; F55-F266 HydrophobicContact CD2-CD2 3.98Å; F55-F266 HydrophobicContact CD2-CE1 4.14Å; F55-F266 AromaticContact CD2-CE2 3.76Å; F55-F266 HydrophobicContact CD2-CE2 3.76Å; F55-F266 HydrophobicContact CD2-CG 4.25Å; F55-F266 AromaticContact CD2-CZ 3.86Å; F55-F266 HydrophobicContact CD2-CZ 3.86Å; F55-F266 HydrophobicContact CE2-CZ 4.33Å; F55-F266 HydrophobicContact CG-CD2 4.24Å; F55-F266 HydrophobicContact CG-CE2 4.07Å |
| 56 | S | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 173 | 178 | 0 | 0 | 0 | 0 | 111.6 | W52 V53 F58 L59 Y60 S62 M64 | W52-S56 VanDerWaalsContact O-CB 3.27Å; W52-S56 WeakPolarHBondContact O-CB 3.33Å; W52-S56 PolarHBondContact O-N 3Å; V53-S56 PolarHBondContact O-N 3.38Å; S56-F58 VanDerWaalsContact C-N 3.28Å; S56-F58 PolarHBondContact O-N 2.7Å; S56-L59 PolarHBondContact O-N 2.74Å; S56-Y60 WeakPolarHBondContact O-CD2 3.35Å; S56-Y60 PolarHBondContact O-N 2.92Å; S56-S62 CarbonylContact C-O 3.53Å; S56-S62 PolarHBondContact OG-O 3.16Å; S56-M64 WeakPolarHBondContact OG-CA 3.26Å; S56-M64 WeakPolarHBondContact OG-CB 3.43Å; S56-M64 PolarHBondContact OG-N 2.91Å |
| 57 | T | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 179.9 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | V53 P54 F55 L59 G61 S62 Y229 A258 | V53-T57 WeakPolarHBondContact O-CB 3.19Å; V53-T57 PolarHBondContact O-N 3.42Å; V53-T57 PolarHBondContact O-OG1 3.12Å; P54-T57 PolarHBondContact O-N 3.45Å; F55-T57 VanDerWaalsContact C-N 3.33Å; F55-T57 PolarHBondContact O-N 3.43Å; T57-L59 PolarHBondContact O-N 3.43Å; T57-G61 WeakPolarHBondContact O-CA 3.2Å; T57-G61 PolarHBondContact O-N 3.3Å; T57-S62 WeakPolarHBondContact CA-O 3.49Å; T57-S62 PolarHBondContact N-O 2.69Å; T57-Y229 HydrophobicContact CG2-CD1 3.96Å; T57-Y229 HydrophobicContact CG2-CG 3.75Å; T57-A258 HydrophobicContact CG2-CB 3.87Å; T57-A258 VanDerWaalsContact CG2-O 3.24Å; T57-A258 WeakPolarHBondContact CG2-O 3.04Å |
| 58 | F | 97.3 | Very high | 95.2 | Very high | 70 Ų | 70 | 34.3 Ų | 34.3 | 31% | 0.307 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 175 | 168.4 | -119.7 | 0 | 0 | 0 | 112.3 | P54 F55 S56 R259 L263 | P54-F58 WeakPolarHBondContact O-CB 3.48Å; P54-F58 PolarHBondContact O-N 3.47Å; F55-F58 WeakPolarHBondContact O-CB 3.46Å; F55-F58 PolarHBondContact O-N 3.17Å; S56-F58 VanDerWaalsContact C-N 3.28Å; S56-F58 PolarHBondContact O-N 2.7Å; F58-R259 WeakPolarHBondContact O-CG 3.46Å; F58-R259 PolarHBondContact O-NH1 3.35Å; F58-L263 HydrophobicContact CB-CB 4.48Å; F58-L263 HydrophobicContact CD1-CD1 4.32Å; F58-L263 HydrophobicContact CD2-CB 3.65Å; F58-L263 HydrophobicContact CD2-CD1 4.35Å; F58-L263 HydrophobicContact CD2-CD2 4.42Å; F58-L263 HydrophobicContact CD2-CG 4.36Å; F58-L263 HydrophobicContact CE1-CD1 4.2Å; F58-L263 HydrophobicContact CE2-CB 4.06Å; F58-L263 HydrophobicContact CE2-CD1 4.23Å; F58-L263 HydrophobicContact CE2-CD2 3.95Å; F58-L263 HydrophobicContact CE2-CG 4.31Å; F58-L263 HydrophobicContact CG-CB 4.07Å; F58-L263 HydrophobicContact CG-CD1 4.38Å; F58-L263 HydrophobicContact CZ-CD1 4.15Å; F58-L263 HydrophobicContact CZ-CD2 4.36Å |
| 59 | L | 97.6 | Very high | 95 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 38% | 0.377 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -77.2 | -40.9 | -176.8 | -66.5 | -178.9 | 0 | 0 | 0 | 113.7 | F55 S56 T57 R259 | F55-L59 HydrophobicContact CD1-CD1 4.02Å; F55-L59 HydrophobicContact CE1-CD1 3.48Å; F55-L59 VanDerWaalsContact CE1-CD1 3.48Å; F55-L59 HydrophobicContact CE1-CG 4.45Å; F55-L59 HydrophobicContact CE2-CD1 4.37Å; F55-L59 HydrophobicContact CZ-CD1 3.69Å; F55-L59 HydrophobicContact CZ-CG 4.39Å; F55-L59 WeakPolarHBondContact O-CG 3.43Å; F55-L59 PolarHBondContact O-N 3.31Å; F55-L59 VanDerWaalsContact O-N 3.1Å; S56-L59 PolarHBondContact O-N 2.74Å; T57-L59 PolarHBondContact O-N 3.43Å; L59-R259 VanDerWaalsContact O-CZ 3.31Å; L59-R259 PolarHBondContact O-NH1 2.94Å; L59-R259 PolarHBondContact O-NH2 3.23Å |
| 60 | Y | 96.6 | Very high | 94.9 | Very high | 132 Ų | 132 | 47.1 Ų | 47.1 | 52% | 0.518 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -110.2 | -7.1 | -170.7 | -58.9 | -73.7 | 0 | 0 | 0 | 113.8 | S56 S62 M64 W68 | S56-Y60 WeakPolarHBondContact O-CD2 3.35Å; S56-Y60 PolarHBondContact O-N 2.92Å; Y60-S62 PolarHBondContact O-N 3.29Å; Y60-M64 HydrophobicContact CD1-CG 4.48Å; Y60-M64 HydrophobicContact CD2-CB 4.03Å; Y60-M64 HydrophobicContact CD2-CG 3.88Å; Y60-M64 HydrophobicContact CG-CB 4.42Å; Y60-M64 HydrophobicContact CG-CG 3.77Å; Y60-W68 HydrophobicContact CE2-CZ2 4.19Å |
| 61 | G | 95.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 76.6 | 5.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T57 | T57-G61 WeakPolarHBondContact O-CA 3.2Å; T57-G61 PolarHBondContact O-N 3.3Å |
| 62 | S | 94.7 | Very high | 94.5 | Very high | 37 Ų | 37 | 54.4 Ų | 54.4 | 26% | 0.259 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -165.5 | 168.4 | 177.9 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | S56 T57 Y60 M64 | S56-S62 CarbonylContact C-O 3.53Å; S56-S62 PolarHBondContact OG-O 3.16Å; T57-S62 WeakPolarHBondContact CA-O 3.49Å; T57-S62 PolarHBondContact N-O 2.69Å; Y60-S62 PolarHBondContact O-N 3.29Å; S62-M64 PolarHBondContact O-N 2.84Å; S62-M64 WeakPolarHBondContact OG-CE 3.46Å |
| 63 | D | 94.9 | Very high | 94.3 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.08 | 29% | 0.289 | C | S | . | . | trans | -73.9 | 106.5 | 175.8 | 175.3 | 24.9 | 0 | 0 | 0 | 111.5 | V53 T65 Q66 N226 | V53-D63 HydrophobicContact CG1-CB 3.99Å; D63-T65 VanDerWaalsContact OD1-CB 3.27Å; D63-T65 WeakPolarHBondContact OD1-CB 3.42Å; D63-T65 VanDerWaalsContact OD1-CG2 3.3Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.19Å; D63-T65 PolarHBondContact OD1-N 3.34Å; D63-T65 PolarHBondContact OD1-OG1 3.41Å; D63-Q66 PolarHBondContact OD2-NE2 3.37Å; D63-N226 HydrophobicContact CB-CB 3.7Å; D63-N226 WeakPolarHBondContact OD2-CB 3.42Å; D63-N226 PolarHBondContact OD2-ND2 2.93Å | ||
| 64 | M | 94.3 | Very high | 94.2 | Very high | 59 Ų | 59 | 59 Ų | 59 | 29% | 0.291 | 31% | 0.309 | S | S | . | . | trans | -100.7 | -0.3 | 175.4 | -66.2 | -68.5 | 140 | 0 | 0 | 112.1 | S56 Y60 S62 Q66 H67 W68 | S56-M64 WeakPolarHBondContact OG-CA 3.26Å; S56-M64 WeakPolarHBondContact OG-CB 3.43Å; S56-M64 PolarHBondContact OG-N 2.91Å; Y60-M64 HydrophobicContact CD1-CG 4.48Å; Y60-M64 HydrophobicContact CD2-CB 4.03Å; Y60-M64 HydrophobicContact CD2-CG 3.88Å; Y60-M64 HydrophobicContact CG-CB 4.42Å; Y60-M64 HydrophobicContact CG-CG 3.77Å; S62-M64 PolarHBondContact O-N 2.84Å; S62-M64 WeakPolarHBondContact OG-CE 3.46Å; M64-Q66 PolarHBondContact O-N 3.31Å; M64-Q66 VanDerWaalsContact O-N 3.08Å; M64-H67 PolarHBondContact O-N 2.84Å; M64-W68 PolarHBondContact O-N 3.09Å; M64-W68 PolarHBondContact O-NE1 3.34Å | ||
| 65 | T | 93.4 | Very high | 94 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -58.8 | -28.5 | -178.1 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | W52 V53 D63 H67 W68 P75 V79 | W52-T65 HydrophobicContact CB-CG2 4.19Å; V53-T65 HydrophobicContact CG2-CG2 4.19Å; D63-T65 VanDerWaalsContact OD1-CB 3.27Å; D63-T65 WeakPolarHBondContact OD1-CB 3.42Å; D63-T65 VanDerWaalsContact OD1-CG2 3.3Å; D63-T65 WeakPolarHBondContact OD1-CG2 3.19Å; D63-T65 PolarHBondContact OD1-N 3.34Å; D63-T65 PolarHBondContact OD1-OG1 3.41Å; T65-H67 PolarHBondContact O-N 3.05Å; T65-W68 HydrophobicContact CG2-CE3 4.17Å; T65-W68 HydrophobicContact CG2-CH2 3.87Å; T65-W68 HydrophobicContact CG2-CZ2 4.36Å; T65-W68 HydrophobicContact CG2-CZ3 3.77Å; T65-P75 WeakPolarHBondContact O-CB 3.38Å; T65-V79 HydrophobicContact CG2-CG2 4.47Å |
| 66 | Q | 90.4 | Very high | 93.8 | Very high | 35 Ų | 35 | 57.5 Ų | 57.5 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -74.2 | -9.7 | 177.8 | -45.9 | -175.2 | 12 | 0 | 0 | 113.8 | D63 M64 P75 S221 N223 N226 A331 | D63-Q66 PolarHBondContact OD2-NE2 3.37Å; M64-Q66 PolarHBondContact O-N 3.31Å; M64-Q66 VanDerWaalsContact O-N 3.08Å; Q66-P75 WeakPolarHBondContact O-CB 3.3Å; Q66-P75 WeakPolarHBondContact O-CG 3.48Å; Q66-S221 PolarHBondContact NE2-O 3.11Å; Q66-N223 PolarHBondContact NE2-ND2 3.41Å; Q66-N226 PolarHBondContact NE2-ND2 2.99Å; Q66-A331 HydrophobicContact CB-CB 4.03Å; Q66-A331 HydrophobicContact CG-CB 3.63Å |
| 67 | H | 91.8 | Very high | 93.6 | Very high | 125 Ų | 125 | 59.5 Ų | 59.5 | 58% | 0.579 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -113 | -7.9 | -178.5 | -57.4 | 86.8 | 0 | 0 | 0 | 112.3 | M64 T65 R69 | M64-H67 PolarHBondContact O-N 2.84Å; T65-H67 PolarHBondContact O-N 3.05Å; H67-R69 PolarHBondContact O-N 2.94Å |
| 68 | W | 92.2 | Very high | 93.5 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 19% | 0.186 | 32% | 0.315 | C | S | . | . | trans | -72.7 | 100.6 | -178.7 | -66.9 | -12.4 | 0 | 0 | 0 | 110.7 | W52 Y60 M64 T65 P75 V78 L82 | W52-W68 HydrophobicContact CB-CH2 4.44Å; W52-W68 HydrophobicContact CB-CZ3 4.08Å; Y60-W68 HydrophobicContact CE2-CZ2 4.19Å; M64-W68 PolarHBondContact O-N 3.09Å; M64-W68 PolarHBondContact O-NE1 3.34Å; T65-W68 HydrophobicContact CG2-CE3 4.17Å; T65-W68 HydrophobicContact CG2-CH2 3.87Å; T65-W68 HydrophobicContact CG2-CZ2 4.36Å; T65-W68 HydrophobicContact CG2-CZ3 3.77Å; W68-P75 WeakPolarHBondContact O-CA 3.49Å; W68-V78 HydrophobicContact CB-CG1 4.07Å; W68-V78 WeakPolarHBondContact O-CG2 3.36Å; W68-L82 HydrophobicContact CE3-CD1 3.83Å; W68-L82 HydrophobicContact CZ3-CD1 3.68Å | ||
| 69 | R | 91.3 | Very high | 93.4 | Very high | 171 Ų | 171 | 56.4 Ų | 56.4 | 65% | 0.645 | 30% | 0.301 | S | S | * | . | trans | -111.5 | 121.1 | 172 | -70.1 | -179 | 162.5 | -175.8 | -9.8 | 109.1 | H67 E74 P75 | H67-R69 PolarHBondContact O-N 2.94Å; R69-E74 IonicContact CZ-OE2 3.74Å; R69-E74 IonicContact NE-OE2 2.84Å; R69-E74 IonicContact NH2-OE1 3.52Å; R69-E74 PolarHBondContact NH2-OE1 3.46Å; R69-E74 IonicContact NH2-OE2 3.58Å; R69-E74 PolarHBondContact NH2-OE2 2.83Å; R69-P75 HydrophobicContact CG-CG 4.17Å | ||
| 70 | I | 90.7 | Very high | 93.3 | Very high | 99 Ų | 99 | 53 Ų | 53 | 51% | 0.508 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -127.5 | 128.3 | -178.8 | -57.3 | 179.9 | 0 | 0 | 0 | 108 | G72 L73 V78 | I70-G72 PolarHBondContact O-N 3.01Å; I70-G72 VanDerWaalsContact O-N 3.1Å; I70-L73 VanDerWaalsContact O-CB 3.27Å; I70-L73 WeakPolarHBondContact O-CB 3.4Å; I70-L73 WeakPolarHBondContact O-CG 3.37Å; I70-L73 PolarHBondContact O-N 2.88Å; I70-V78 HydrophobicContact CB-CG2 4.06Å; I70-V78 HydrophobicContact CD1-CG1 3.72Å; I70-V78 HydrophobicContact CG1-CG1 4.09Å; I70-V78 HydrophobicContact CG1-CG2 4.19Å |
| 71 | A | 90.9 | Very high | 93.3 | Very high | 104 Ų | 104 | 50.5 Ų | 50.5 | 86% | 0.86 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 35.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L73 | A71-L73 VanDerWaalsContact C-N 3.29Å; A71-L73 PolarHBondContact O-N 3.34Å |
| 72 | G | 90.2 | Very high | 93.4 | Very high | 76 Ų | 76 | 52.8 Ų | 52.8 | 78% | 0.784 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 0.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | I70 | I70-G72 PolarHBondContact O-N 3.01Å; I70-G72 VanDerWaalsContact O-N 3.1Å |
| 73 | L | 93.3 | Very high | 93.5 | Very high | 46 Ų | 46 | 51 Ų | 51 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -75.8 | 143.5 | 175.1 | -62.9 | 173.3 | 0 | 0 | 0 | 111.6 | I70 A71 Q77 V78 L81 F326 | I70-L73 VanDerWaalsContact O-CB 3.27Å; I70-L73 WeakPolarHBondContact O-CB 3.4Å; I70-L73 WeakPolarHBondContact O-CG 3.37Å; I70-L73 PolarHBondContact O-N 2.88Å; A71-L73 VanDerWaalsContact C-N 3.29Å; A71-L73 PolarHBondContact O-N 3.34Å; L73-Q77 HydrophobicContact CB-CB 4.15Å; L73-Q77 HydrophobicContact CD2-CB 4.39Å; L73-V78 HydrophobicContact CB-CG2 3.83Å; L73-L81 HydrophobicContact CD1-CD1 3.5Å; L73-L81 VanDerWaalsContact CD1-CD1 3.5Å; L73-F326 HydrophobicContact CD2-CE1 4.49Å |
| 74 | E | 93.1 | Very high | 93.6 | Very high | 88 Ų | 88 | 51.2 Ų | 51.2 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | trans | -71 | 156.1 | 173.7 | -71.5 | -59.2 | 151.6 | 0 | 0 | 111.5 | R69 T76 Q77 V78 | R69-E74 IonicContact CZ-OE2 3.74Å; R69-E74 IonicContact NE-OE2 2.84Å; R69-E74 IonicContact NH2-OE1 3.52Å; R69-E74 PolarHBondContact NH2-OE1 3.46Å; R69-E74 IonicContact NH2-OE2 3.58Å; R69-E74 PolarHBondContact NH2-OE2 2.83Å; E74-T76 VanDerWaalsContact C-N 3.28Å; E74-T76 PolarHBondContact O-N 3.15Å; E74-Q77 HydrophobicContact CB-CG 4.45Å; E74-Q77 WeakPolarHBondContact O-CA 3.43Å; E74-Q77 WeakPolarHBondContact O-CB 3.28Å; E74-Q77 PolarHBondContact O-N 3.32Å; E74-V78 PolarHBondContact O-N 2.77Å | ||
| 75 | P | 92.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.104 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.5 | -40.8 | -177.1 | -28.8 | 35.4 | 0 | 0 | 0 | 114.9 | T65 Q66 W68 R69 Q77 V78 V79 | T65-P75 WeakPolarHBondContact O-CB 3.38Å; Q66-P75 WeakPolarHBondContact O-CB 3.3Å; Q66-P75 WeakPolarHBondContact O-CG 3.48Å; W68-P75 WeakPolarHBondContact O-CA 3.49Å; R69-P75 HydrophobicContact CG-CG 4.17Å; P75-Q77 VanDerWaalsContact C-N 3.33Å; P75-Q77 PolarHBondContact O-N 2.96Å; P75-V78 PolarHBondContact O-N 3.39Å; P75-V79 WeakPolarHBondContact O-CG2 3.46Å; P75-V79 PolarHBondContact O-N 2.71Å |
| 76 | T | 92.5 | Very high | 93.9 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 177.4 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | E74 G80 F334 | E74-T76 VanDerWaalsContact C-N 3.28Å; E74-T76 PolarHBondContact O-N 3.15Å; T76-G80 PolarHBondContact O-N 2.84Å; T76-F334 HydrophobicContact CG2-CB 3.69Å; T76-F334 HydrophobicContact CG2-CD1 4.33Å; T76-F334 HydrophobicContact CG2-CD2 4.34Å; T76-F334 HydrophobicContact CG2-CG 3.89Å |
| 77 | Q | 94.6 | Very high | 94.2 | Very high | 42 Ų | 42 | 50 Ų | 50 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.8 | -41.3 | 177.2 | -63.4 | 171.2 | -24.6 | 0 | 0 | 111 | L73 E74 P75 G80 L81 F326 | L73-Q77 HydrophobicContact CB-CB 4.15Å; L73-Q77 HydrophobicContact CD2-CB 4.39Å; E74-Q77 HydrophobicContact CB-CG 4.45Å; E74-Q77 WeakPolarHBondContact O-CA 3.43Å; E74-Q77 WeakPolarHBondContact O-CB 3.28Å; E74-Q77 PolarHBondContact O-N 3.32Å; P75-Q77 VanDerWaalsContact C-N 3.33Å; P75-Q77 PolarHBondContact O-N 2.96Å; Q77-G80 PolarHBondContact O-N 2.84Å; Q77-L81 WeakPolarHBondContact O-CG 3.42Å; Q77-L81 PolarHBondContact O-N 3.4Å; Q77-F326 HydrophobicContact CB-CE1 4.29Å; Q77-F326 HydrophobicContact CB-CZ 4.19Å; Q77-F326 HydrophobicContact CG-CD1 3.96Å; Q77-F326 HydrophobicContact CG-CE1 3.97Å; Q77-F326 HydrophobicContact CG-CG 4.28Å; Q77-F326 HydrophobicContact CG-CZ 4.3Å |
| 78 | V | 95.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 175.3 | 176 | 0 | 0 | 0 | 0 | 110.7 | W68 I70 L73 E74 P75 G80 L81 L82 | W68-V78 HydrophobicContact CB-CG1 4.07Å; W68-V78 WeakPolarHBondContact O-CG2 3.36Å; I70-V78 HydrophobicContact CB-CG2 4.06Å; I70-V78 HydrophobicContact CD1-CG1 3.72Å; I70-V78 HydrophobicContact CG1-CG1 4.09Å; I70-V78 HydrophobicContact CG1-CG2 4.19Å; L73-V78 HydrophobicContact CB-CG2 3.83Å; E74-V78 PolarHBondContact O-N 2.77Å; P75-V78 PolarHBondContact O-N 3.39Å; V78-G80 VanDerWaalsContact C-N 3.26Å; V78-G80 PolarHBondContact O-N 2.89Å; V78-L81 PolarHBondContact O-N 2.83Å; V78-L82 HydrophobicContact CG1-CD1 4.21Å; V78-L82 WeakPolarHBondContact O-CG 3.31Å; V78-L82 PolarHBondContact O-N 2.96Å |
| 79 | V | 95.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -39.3 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | A49 T65 P75 L82 A83 F334 F335 | A49-V79 HydrophobicContact CB-CG1 3.92Å; T65-V79 HydrophobicContact CG2-CG2 4.47Å; P75-V79 WeakPolarHBondContact O-CG2 3.46Å; P75-V79 PolarHBondContact O-N 2.71Å; V79-L82 PolarHBondContact O-N 2.99Å; V79-A83 WeakPolarHBondContact O-CB 3.3Å; V79-A83 PolarHBondContact O-N 2.9Å; V79-F334 HydrophobicContact CG1-CE1 3.99Å; V79-F334 HydrophobicContact CG1-CZ 4.45Å; V79-F335 HydrophobicContact CG1-CZ 4.23Å |
| 80 | G | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -47.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T76 Q77 V78 L82 A83 V84 I321 S325 | T76-G80 PolarHBondContact O-N 2.84Å; Q77-G80 PolarHBondContact O-N 2.84Å; V78-G80 VanDerWaalsContact C-N 3.26Å; V78-G80 PolarHBondContact O-N 2.89Å; G80-L82 VanDerWaalsContact C-N 3.34Å; G80-L82 PolarHBondContact O-N 3.34Å; G80-A83 WeakPolarHBondContact O-CB 3.48Å; G80-A83 PolarHBondContact O-N 3.27Å; G80-V84 WeakPolarHBondContact O-CG2 3.43Å; G80-V84 PolarHBondContact O-N 3.17Å; G80-I321 VanDerWaalsContact O-CG2 3.24Å; G80-I321 WeakPolarHBondContact O-CG2 3.37Å; G80-S325 WeakPolarHBondContact CA-OG 3.47Å |
| 81 | L | 96.8 | Very high | 94.7 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 41% | 0.414 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.8 | -68 | 179.8 | 0 | 0 | 0 | 112 | L73 Q77 V78 A83 V84 A85 L322 F326 | L73-L81 HydrophobicContact CD1-CD1 3.5Å; L73-L81 VanDerWaalsContact CD1-CD1 3.5Å; Q77-L81 WeakPolarHBondContact O-CG 3.42Å; Q77-L81 PolarHBondContact O-N 3.4Å; V78-L81 PolarHBondContact O-N 2.83Å; L81-A83 VanDerWaalsContact C-N 3.31Å; L81-A83 PolarHBondContact O-N 3.46Å; L81-V84 PolarHBondContact O-N 3.17Å; L81-A85 PolarHBondContact O-N 3.37Å; L81-L322 HydrophobicContact CD2-CD2 4.17Å; L81-F326 HydrophobicContact CD2-CE2 4.43Å |
| 82 | L | 97 | Very high | 94.8 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 26% | 0.262 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.8 | -37 | 173.3 | -69.6 | 176.2 | 0 | 0 | 0 | 111.6 | W52 W68 V78 V79 G80 A85 W86 | W52-L82 HydrophobicContact CD2-CB 4.04Å; W52-L82 HydrophobicContact CD2-CD1 4.29Å; W52-L82 HydrophobicContact CG-CB 4.28Å; W52-L82 HydrophobicContact CZ2-CB 3.83Å; W52-L82 HydrophobicContact CZ2-CD2 4.45Å; W52-L82 WeakPolarHBondContact CZ2-O 3.32Å; W52-L82 VanDerWaalsContact NE1-C 3.26Å; W52-L82 PolarHBondContact NE1-O 3.41Å; W68-L82 HydrophobicContact CE3-CD1 3.83Å; W68-L82 HydrophobicContact CZ3-CD1 3.68Å; V78-L82 HydrophobicContact CG1-CD1 4.21Å; V78-L82 WeakPolarHBondContact O-CG 3.31Å; V78-L82 PolarHBondContact O-N 2.96Å; V79-L82 PolarHBondContact O-N 2.99Å; G80-L82 VanDerWaalsContact C-N 3.34Å; G80-L82 PolarHBondContact O-N 3.34Å; L82-A85 PolarHBondContact O-N 2.95Å; L82-W86 WeakPolarHBondContact O-CB 3.37Å; L82-W86 PolarHBondContact O-N 3.44Å |
| 83 | A | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S48 A49 V79 G80 L81 W86 M87 I321 | S48-A83 VanDerWaalsContact C-CB 3.47Å; S48-A83 WeakPolarHBondContact O-CA 3.37Å; S48-A83 WeakPolarHBondContact O-CB 3.29Å; A49-A83 HydrophobicContact CB-CB 4.24Å; V79-A83 WeakPolarHBondContact O-CB 3.3Å; V79-A83 PolarHBondContact O-N 2.9Å; G80-A83 WeakPolarHBondContact O-CB 3.48Å; G80-A83 PolarHBondContact O-N 3.27Å; L81-A83 VanDerWaalsContact C-N 3.31Å; L81-A83 PolarHBondContact O-N 3.46Å; A83-W86 WeakPolarHBondContact O-CB 3.43Å; A83-W86 PolarHBondContact O-N 2.83Å; A83-M87 PolarHBondContact O-N 3.41Å; A83-I321 HydrophobicContact CB-CD1 4.09Å; A83-I321 HydrophobicContact CB-CG2 3.87Å |
| 84 | V | 97.9 | Very high | 94.5 | Very high | 20 Ų | 20 | 31 Ų | 31 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 171.7 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | G80 L81 W86 M87 I88 T318 I321 L322 | G80-V84 WeakPolarHBondContact O-CG2 3.43Å; G80-V84 PolarHBondContact O-N 3.17Å; L81-V84 PolarHBondContact O-N 3.17Å; V84-W86 VanDerWaalsContact C-N 3.27Å; V84-W86 PolarHBondContact O-N 2.91Å; V84-M87 PolarHBondContact O-N 3.04Å; V84-M87 VanDerWaalsContact O-N 3.12Å; V84-I88 HydrophobicContact CG1-CD1 3.93Å; V84-I88 WeakPolarHBondContact O-CG1 3.36Å; V84-I88 PolarHBondContact O-N 3.24Å; V84-T318 HydrophobicContact CB-CG2 4.44Å; V84-T318 HydrophobicContact CG1-CG2 3.68Å; V84-T318 HydrophobicContact CG2-CG2 3.87Å; V84-I321 HydrophobicContact CG2-CB 4.15Å; V84-I321 HydrophobicContact CG2-CD1 4.46Å; V84-I321 HydrophobicContact CG2-CG2 3.72Å; V84-L322 HydrophobicContact CG2-CD2 4.14Å; V84-L322 HydrophobicContact CG2-CG 4.24Å |
| 85 | A | 97.8 | Very high | 94.1 | Very high | 54 Ų | 54 | 27.6 Ų | 27.6 | 45% | 0.446 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.9 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L81 L82 I88 L89 | L81-A85 PolarHBondContact O-N 3.37Å; L82-A85 PolarHBondContact O-N 2.95Å; A85-I88 PolarHBondContact O-N 3.45Å; A85-L89 WeakPolarHBondContact O-CB 3.24Å; A85-L89 PolarHBondContact O-N 3.31Å |
| 86 | W | 96.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 172.9 | 177.8 | -102.7 | 0 | 0 | 0 | 112.1 | V51 W52 L82 A83 V84 I88 L89 V90 F266 T270 F273 | V51-W86 HydrophobicContact CG1-CD2 4.07Å; V51-W86 HydrophobicContact CG1-CG 4.1Å; V51-W86 HydrophobicContact CG2-CZ2 4.23Å; W52-W86 HydrophobicContact CZ2-CB 4.04Å; L82-W86 WeakPolarHBondContact O-CB 3.37Å; L82-W86 PolarHBondContact O-N 3.44Å; A83-W86 WeakPolarHBondContact O-CB 3.43Å; A83-W86 PolarHBondContact O-N 2.83Å; V84-W86 VanDerWaalsContact C-N 3.27Å; V84-W86 PolarHBondContact O-N 2.91Å; W86-I88 VanDerWaalsContact C-N 3.32Å; W86-I88 PolarHBondContact O-N 3.31Å; W86-L89 HydrophobicContact CE3-CD2 4.25Å; W86-L89 HydrophobicContact CZ3-CD2 4.26Å; W86-L89 PolarHBondContact O-N 3.47Å; W86-V90 HydrophobicContact CD2-CG2 4.1Å; W86-V90 HydrophobicContact CG-CG2 4.49Å; W86-V90 HydrophobicContact CH2-CG2 4.41Å; W86-V90 HydrophobicContact CZ2-CG2 3.75Å; W86-V90 WeakPolarHBondContact O-CG2 3.31Å; W86-V90 PolarHBondContact O-N 3.39Å; W86-F266 HydrophobicContact CZ3-CZ 4.46Å; W86-T270 HydrophobicContact CH2-CG2 3.88Å; W86-T270 WeakPolarHBondContact CH2-OG1 3.47Å; W86-T270 HydrophobicContact CZ2-CG2 4.35Å; W86-F273 AromaticContact NE1-CD2 3.67Å; W86-F273 AromaticContact NE1-CE2 3.87Å; W86-F273 AromaticContact NE1-CG 3.79Å |
| 87 | M | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 179.1 | -171.5 | 64.2 | -151.1 | 0 | 0 | 112.2 | M44 A83 V84 T91 F273 C314 V317 | M44-M87 HydrophobicContact SD-CE 4.2Å; A83-M87 PolarHBondContact O-N 3.41Å; V84-M87 PolarHBondContact O-N 3.04Å; V84-M87 VanDerWaalsContact O-N 3.12Å; M87-T91 WeakPolarHBondContact O-CB 3.1Å; M87-T91 PolarHBondContact O-N 3.24Å; M87-T91 PolarHBondContact O-OG1 3.06Å; M87-F273 HydrophobicContact CE-CE1 4.45Å; M87-F273 HydrophobicContact SD-CE1 3.61Å; M87-F273 HydrophobicContact SD-CZ 3.75Å; M87-C314 HydrophobicContact CE-CB 4.2Å; M87-C314 HydrophobicContact CG-CB 4.4Å; M87-V317 HydrophobicContact CE-CG2 4.47Å; M87-V317 HydrophobicContact CG-CB 4.25Å; M87-V317 HydrophobicContact CG-CG1 3.91Å; M87-V317 HydrophobicContact SD-CB 4.28Å; M87-V317 HydrophobicContact SD-CG1 3.84Å |
| 88 | I | 96.9 | Very high | 91.9 | Very high | 74 Ų | 74 | 34.2 Ų | 34.2 | 38% | 0.379 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65 | -48.4 | 175.6 | -66.8 | 168.2 | 0 | 0 | 0 | 110.2 | V84 A85 W86 V90 T91 V92 W311 | V84-I88 HydrophobicContact CG1-CD1 3.93Å; V84-I88 WeakPolarHBondContact O-CG1 3.36Å; V84-I88 PolarHBondContact O-N 3.24Å; A85-I88 PolarHBondContact O-N 3.45Å; W86-I88 VanDerWaalsContact C-N 3.32Å; W86-I88 PolarHBondContact O-N 3.31Å; I88-V90 VanDerWaalsContact C-N 3.34Å; I88-V90 PolarHBondContact O-N 2.89Å; I88-T91 PolarHBondContact O-N 3.21Å; I88-V92 HydrophobicContact CG2-CG2 4.38Å; I88-V92 VanDerWaalsContact O-CG2 3.31Å; I88-V92 WeakPolarHBondContact O-CG2 3.47Å; I88-V92 PolarHBondContact O-N 3.25Å; I88-W311 HydrophobicContact CG2-CH2 4.28Å; I88-W311 HydrophobicContact CG2-CZ3 4.42Å |
| 89 | L | 94.2 | Very high | 90.6 | Very high | 92 Ų | 92 | 41.3 Ų | 41.3 | 48% | 0.482 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.6 | -48.5 | 178.4 | 176.7 | 65.4 | 0 | 0 | 0 | 111.3 | A85 W86 V92 V93 | A85-L89 WeakPolarHBondContact O-CB 3.24Å; A85-L89 PolarHBondContact O-N 3.31Å; W86-L89 HydrophobicContact CE3-CD2 4.25Å; W86-L89 HydrophobicContact CZ3-CD2 4.26Å; W86-L89 PolarHBondContact O-N 3.47Å; L89-V92 PolarHBondContact O-N 3.13Å; L89-V93 HydrophobicContact CD1-CG2 4.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.5Å; L89-V93 PolarHBondContact O-N 3.29Å |
| 90 | V | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 178.4 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | W86 I88 V92 V93 A94 F273 F274 C277 | W86-V90 HydrophobicContact CD2-CG2 4.1Å; W86-V90 HydrophobicContact CG-CG2 4.49Å; W86-V90 HydrophobicContact CH2-CG2 4.41Å; W86-V90 HydrophobicContact CZ2-CG2 3.75Å; W86-V90 WeakPolarHBondContact O-CG2 3.31Å; W86-V90 PolarHBondContact O-N 3.39Å; I88-V90 VanDerWaalsContact C-N 3.34Å; I88-V90 PolarHBondContact O-N 2.89Å; V90-V92 VanDerWaalsContact C-N 3.35Å; V90-V92 PolarHBondContact O-N 3.29Å; V90-V93 PolarHBondContact O-N 3.04Å; V90-A94 WeakPolarHBondContact O-CB 3.3Å; V90-A94 PolarHBondContact O-N 3.09Å; V90-F273 HydrophobicContact CB-CD1 4.34Å; V90-F273 HydrophobicContact CB-CE1 4.49Å; V90-F273 HydrophobicContact CG1-CD1 3.81Å; V90-F273 HydrophobicContact CG1-CE1 4.19Å; V90-F273 HydrophobicContact CG2-CD1 4.17Å; V90-F274 HydrophobicContact CB-CE1 4.06Å; V90-F274 HydrophobicContact CB-CZ 4.32Å; V90-F274 HydrophobicContact CG1-CD1 3.69Å; V90-F274 HydrophobicContact CG1-CE1 3.68Å; V90-F274 HydrophobicContact CG1-CG 4.34Å; V90-F274 HydrophobicContact CG1-CZ 4.33Å; V90-F274 HydrophobicContact CG2-CE1 4.16Å; V90-F274 HydrophobicContact CG2-CE2 4.28Å; V90-F274 HydrophobicContact CG2-CZ 3.95Å; V90-F274 WeakPolarHBondContact O-CE1 3.33Å; V90-C277 HydrophobicContact CG1-CB 4.3Å |
| 91 | T | 93 | Very high | 87.9 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -45.3 | 177.6 | -58 | 0 | 0 | 0 | 0 | 111.8 | M87 I88 V93 S95 M310 W311 C314 | M87-T91 WeakPolarHBondContact O-CB 3.1Å; M87-T91 PolarHBondContact O-N 3.24Å; M87-T91 PolarHBondContact O-OG1 3.06Å; I88-T91 PolarHBondContact O-N 3.21Å; T91-V93 PolarHBondContact O-N 3.17Å; T91-S95 WeakPolarHBondContact O-CB 3.17Å; T91-S95 PolarHBondContact O-N 2.97Å; T91-S95 PolarHBondContact O-OG 3.44Å; T91-M310 HydrophobicContact CG2-CB 4.25Å; T91-W311 HydrophobicContact CG2-CD2 3.64Å; T91-W311 HydrophobicContact CG2-CE3 3.81Å; T91-W311 HydrophobicContact CG2-CG 4.1Å; T91-W311 HydrophobicContact CG2-CH2 4.34Å; T91-W311 HydrophobicContact CG2-CZ2 4.18Å; T91-W311 HydrophobicContact CG2-CZ3 4.16Å; T91-C314 HydrophobicContact CG2-CB 4.08Å; T91-C314 WeakPolarHBondContact OG1-CB 3.26Å; T91-C314 PolarHBondContact OG1-SG 3.34Å; T91-C314 VanDerWaalsContact OG1-SG 3.39Å |
| 92 | V | 92.2 | Very high | 86.7 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 177.7 | 170 | 0 | 0 | 0 | 0 | 111 | I88 L89 V90 S95 K96 W311 | I88-V92 HydrophobicContact CG2-CG2 4.38Å; I88-V92 VanDerWaalsContact O-CG2 3.31Å; I88-V92 WeakPolarHBondContact O-CG2 3.47Å; I88-V92 PolarHBondContact O-N 3.25Å; L89-V92 PolarHBondContact O-N 3.13Å; V90-V92 VanDerWaalsContact C-N 3.35Å; V90-V92 PolarHBondContact O-N 3.29Å; V92-S95 PolarHBondContact O-OG 2.97Å; V92-K96 WeakPolarHBondContact O-CG 3.27Å; V92-W311 HydrophobicContact CG2-CH2 3.61Å; V92-W311 HydrophobicContact CG2-CZ2 3.71Å |
| 93 | V | 89.5 | Confident | 85.7 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 33% | 0.333 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.3 | -45.2 | -177.4 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L89 V90 T91 S95 K96 I101 F274 | L89-V93 HydrophobicContact CD1-CG2 4.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.5Å; L89-V93 PolarHBondContact O-N 3.29Å; V90-V93 PolarHBondContact O-N 3.04Å; T91-V93 PolarHBondContact O-N 3.17Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 3.43Å; V93-K96 WeakPolarHBondContact O-CB 3.37Å; V93-K96 PolarHBondContact O-N 3.46Å; V93-K96 VanDerWaalsContact O-N 3.07Å; V93-I101 HydrophobicContact CG1-CD1 3.9Å; V93-F274 HydrophobicContact CB-CE1 3.65Å; V93-F274 HydrophobicContact CB-CZ 3.83Å; V93-F274 HydrophobicContact CG1-CE1 3.61Å; V93-F274 HydrophobicContact CG1-CZ 3.7Å |
| 94 | A | 86.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.4 | -36.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V90 K96 G97 F274 M310 | V90-A94 WeakPolarHBondContact O-CB 3.3Å; V90-A94 PolarHBondContact O-N 3.09Å; A94-K96 PolarHBondContact O-N 3.36Å; A94-K96 VanDerWaalsContact O-N 3.17Å; A94-G97 PolarHBondContact O-N 2.92Å; A94-F274 HydrophobicContact CB-CD1 3.95Å; A94-F274 HydrophobicContact CB-CE1 4.21Å; A94-M310 HydrophobicContact CB-CE 3.37Å |
| 95 | S | 86.5 | Confident | 83.5 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 11% | 0.105 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -19.9 | 175.6 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | T91 V92 V93 N301 | T91-S95 WeakPolarHBondContact O-CB 3.17Å; T91-S95 PolarHBondContact O-N 2.97Å; T91-S95 PolarHBondContact O-OG 3.44Å; V92-S95 PolarHBondContact O-OG 2.97Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 3.43Å; S95-N301 PolarHBondContact O-ND2 3.23Å |
| 96 | K | 85.3 | Confident | 82.9 | Confident | 145 Ų | 145 | 61.8 Ų | 61.8 | 63% | 0.63 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 3.2 | 176.2 | -63.6 | 176.8 | -178.7 | -179.1 | 0 | 113.7 | V92 V93 A94 M303 | V92-K96 WeakPolarHBondContact O-CG 3.27Å; V93-K96 WeakPolarHBondContact O-CB 3.37Å; V93-K96 PolarHBondContact O-N 3.46Å; V93-K96 VanDerWaalsContact O-N 3.07Å; A94-K96 PolarHBondContact O-N 3.36Å; A94-K96 VanDerWaalsContact O-N 3.17Å; K96-M303 WeakPolarHBondContact O-CE 3.22Å |
| 97 | G | 78.6 | Confident | 82.3 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | trans | 106.7 | 150.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | A94 | A94-G97 PolarHBondContact O-N 2.92Š| ||
| 98 | I | 69 | Low | 81.7 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -89.1 | -23.2 | -165.8 | -59 | 173 | 0 | 0 | 0 | 113.4 | K100 I101 Y278 M305 | I98-K100 PolarHBondContact O-N 3.13Å; I98-I101 WeakPolarHBondContact O-CB 3.33Å; I98-I101 PolarHBondContact O-N 3.49Å; I98-Y278 HydrophobicContact CD1-CD1 3.23Å; I98-Y278 HydrophobicContact CD1-CE1 3.73Å; I98-Y278 HydrophobicContact CD1-CG 3.84Å; I98-M305 HydrophobicContact CD1-CE 4.04Å; I98-M305 HydrophobicContact CG1-CE 4.15Å |
| 99 | N | 69 | Low | 81.3 | Confident | 154 Ų | 154 | 63.6 Ų | 63.6 | 82% | 0.824 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27 | -166.9 | -70.8 | -8.2 | 0 | 0 | 0 | 114.7 | I101 | N99-I101 VanDerWaalsContact C-N 3.26Å; N99-I101 PolarHBondContact O-N 3.41Å |
| 100 | K | 64.4 | Low | 81.1 | Confident | 189 Ų | 189 | 64 Ų | 64 | 82% | 0.822 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -19.3 | 178.5 | -64.9 | -171.1 | 179.6 | -175.7 | 0 | 113.4 | I98 | I98-K100 PolarHBondContact O-N 3.13Š|
| 101 | I | 68.7 | Low | 81 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -30 | -166.7 | -49.3 | -178.3 | 0 | 0 | 0 | 111.4 | V93 I98 N99 R103 I104 T105 F274 | V93-I101 HydrophobicContact CG1-CD1 3.9Å; I98-I101 WeakPolarHBondContact O-CB 3.33Å; I98-I101 PolarHBondContact O-N 3.49Å; N99-I101 VanDerWaalsContact C-N 3.26Å; N99-I101 PolarHBondContact O-N 3.41Å; I101-R103 PolarHBondContact O-N 2.94Å; I101-I104 WeakPolarHBondContact O-CB 3.14Å; I101-I104 PolarHBondContact O-N 2.83Å; I101-T105 PolarHBondContact O-N 3.39Å; I101-T105 PolarHBondContact O-OG1 3.27Å; I101-T105 VanDerWaalsContact O-OG1 3.1Å; I101-F274 HydrophobicContact CB-CB 4.46Å; I101-F274 HydrophobicContact CB-CD2 4.49Å; I101-F274 HydrophobicContact CB-CG 4.46Å; I101-F274 HydrophobicContact CD1-CB 3.8Å; I101-F274 HydrophobicContact CD1-CD1 3.1Å; I101-F274 HydrophobicContact CD1-CD2 3.71Å; I101-F274 HydrophobicContact CD1-CE1 3.42Å; I101-F274 VanDerWaalsContact CD1-CE1 3.42Å; I101-F274 HydrophobicContact CD1-CE2 3.99Å; I101-F274 HydrophobicContact CD1-CG 3.26Å; I101-F274 HydrophobicContact CD1-CZ 3.87Å; I101-F274 HydrophobicContact CG1-CD1 4.47Å; I101-F274 HydrophobicContact CG1-CD2 4.43Å; I101-F274 HydrophobicContact CG1-CG 4.32Å; I101-F274 HydrophobicContact CG2-CB 3.68Å; I101-F274 HydrophobicContact CG2-CD2 3.42Å; I101-F274 VanDerWaalsContact CG2-CD2 3.42Å; I101-F274 HydrophobicContact CG2-CE2 4.21Å; I101-F274 HydrophobicContact CG2-CG 3.67Å |
| 102 | A | 70.7 | Confident | 80.9 | Confident | 58 Ų | 58 | 67 Ų | 67 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -51.9 | -35.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T105 A106 | A102-T105 PolarHBondContact O-N 3.34Å; A102-A106 WeakPolarHBondContact O-CB 3.44Å; A102-A106 PolarHBondContact O-N 3.49Å |
| 103 | R | 77.2 | Confident | 80.8 | Confident | 213 Ų | 213 | 70.2 Ų | 70.2 | 80% | 0.804 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67.2 | -42.3 | 176.2 | -67.2 | -174.2 | -177.1 | 178 | 0.5 | 112.8 | I101 T105 A106 V107 | I101-R103 PolarHBondContact O-N 2.94Å; R103-T105 VanDerWaalsContact C-N 3.33Å; R103-A106 PolarHBondContact O-N 3.47Å; R103-V107 PolarHBondContact O-N 3.32Å |
| 104 | I | 73.7 | Confident | 81 | Confident | 77 Ų | 77 | 70.2 Ų | 70.2 | 40% | 0.395 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 177 | -60.7 | 173.5 | 0 | 0 | 0 | 109.4 | I101 A106 V107 G108 L267 | I101-I104 WeakPolarHBondContact O-CB 3.14Å; I101-I104 PolarHBondContact O-N 2.83Å; I104-A106 VanDerWaalsContact C-N 3.35Å; I104-A106 PolarHBondContact O-N 2.79Å; I104-V107 PolarHBondContact O-N 3.36Å; I104-G108 PolarHBondContact O-N 2.87Å; I104-G108 VanDerWaalsContact O-N 3.11Å; I104-L267 HydrophobicContact CG2-CD2 4.03Å |
| 105 | T | 75.4 | Confident | 81.3 | Confident | 39 Ų | 39 | 71.3 Ų | 71.3 | 24% | 0.239 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 175.5 | -47.6 | 0 | 0 | 0 | 0 | 112 | I101 A102 R103 V107 G108 G109 G271 | I101-T105 PolarHBondContact O-N 3.39Å; I101-T105 PolarHBondContact O-OG1 3.27Å; I101-T105 VanDerWaalsContact O-OG1 3.1Å; A102-T105 PolarHBondContact O-N 3.34Å; R103-T105 VanDerWaalsContact C-N 3.33Å; T105-V107 PolarHBondContact O-N 2.99Å; T105-G108 PolarHBondContact O-N 3.12Å; T105-G109 PolarHBondContact O-N 2.6Å; T105-G271 WeakPolarHBondContact OG1-CA 3.36Å |
| 106 | A | 83.9 | Confident | 81.6 | Confident | 52 Ų | 52 | 75 Ų | 75 | 43% | 0.43 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A102 R103 I104 G109 I110 | A102-A106 WeakPolarHBondContact O-CB 3.44Å; A102-A106 PolarHBondContact O-N 3.49Å; R103-A106 PolarHBondContact O-N 3.47Å; I104-A106 VanDerWaalsContact C-N 3.35Å; I104-A106 PolarHBondContact O-N 2.79Å; A106-G109 PolarHBondContact O-N 3.39Å; A106-I110 WeakPolarHBondContact O-CB 3.33Å; A106-I110 VanDerWaalsContact O-CG1 3.27Å; A106-I110 WeakPolarHBondContact O-CG1 3.36Å; A106-I110 PolarHBondContact O-N 3.43Å |
| 107 | V | 85.2 | Confident | 82 | Confident | 90 Ų | 90 | 72.7 Ų | 72.7 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 176.5 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | R103 I104 T105 G109 I110 A111 L267 | R103-V107 PolarHBondContact O-N 3.32Å; I104-V107 PolarHBondContact O-N 3.36Å; T105-V107 PolarHBondContact O-N 2.99Å; V107-G109 PolarHBondContact O-N 3.45Å; V107-I110 PolarHBondContact O-N 3.21Å; V107-A111 VanDerWaalsContact O-CB 3.32Å; V107-A111 WeakPolarHBondContact O-CB 3.43Å; V107-A111 PolarHBondContact O-N 3.12Å; V107-L267 HydrophobicContact CG1-CD1 4.34Å |
| 108 | G | 84.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I104 T105 A111 V112 | I104-G108 PolarHBondContact O-N 2.87Å; I104-G108 VanDerWaalsContact O-N 3.11Å; T105-G108 PolarHBondContact O-N 3.12Å; G108-A111 PolarHBondContact O-N 3.49Å; G108-V112 WeakPolarHBondContact O-CG2 3.33Å; G108-V112 PolarHBondContact O-N 3.3Å |
| 109 | G | 87.1 | Confident | 84.1 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 40% | 0.402 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T105 A106 V107 A111 V112 M113 | T105-G109 PolarHBondContact O-N 2.6Å; A106-G109 PolarHBondContact O-N 3.39Å; V107-G109 PolarHBondContact O-N 3.45Å; G109-A111 VanDerWaalsContact C-N 3.33Å; G109-A111 PolarHBondContact O-N 2.96Å; G109-V112 PolarHBondContact O-N 2.99Å; G109-M113 PolarHBondContact O-N 3.4Å |
| 110 | I | 91 | Very high | 85.4 | Confident | 101 Ų | 101 | 68 Ų | 68 | 52% | 0.518 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 175 | -68.2 | 166.3 | 0 | 0 | 0 | 110.1 | A106 V107 V112 M113 C114 | A106-I110 WeakPolarHBondContact O-CB 3.33Å; A106-I110 VanDerWaalsContact O-CG1 3.27Å; A106-I110 WeakPolarHBondContact O-CG1 3.36Å; A106-I110 PolarHBondContact O-N 3.43Å; V107-I110 PolarHBondContact O-N 3.21Å; I110-V112 PolarHBondContact O-N 2.82Å; I110-M113 WeakPolarHBondContact O-CB 3.34Å; I110-M113 PolarHBondContact O-N 3.35Å; I110-C114 PolarHBondContact O-N 3.1Å; I110-C114 PolarHBondContact O-SG 3.43Å; I110-C114 VanDerWaalsContact O-SG 3.35Å |
| 111 | A | 90.3 | Very high | 87 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 21% | 0.207 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V107 G108 G109 M113 C114 L115 S264 | V107-A111 VanDerWaalsContact O-CB 3.32Å; V107-A111 WeakPolarHBondContact O-CB 3.43Å; V107-A111 PolarHBondContact O-N 3.12Å; G108-A111 PolarHBondContact O-N 3.49Å; G109-A111 VanDerWaalsContact C-N 3.33Å; G109-A111 PolarHBondContact O-N 2.96Å; A111-M113 VanDerWaalsContact C-N 3.32Å; A111-M113 PolarHBondContact O-N 3.42Å; A111-C114 CarbonylContact O-C 3.14Å; A111-C114 WeakPolarHBondContact O-CA 3.47Å; A111-C114 WeakPolarHBondContact O-CB 3.45Å; A111-C114 PolarHBondContact O-N 3.44Å; A111-C114 VanDerWaalsContact O-N 3.1Å; A111-L115 WeakPolarHBondContact O-CG 3.16Å; A111-L115 PolarHBondContact O-N 3.49Å; A111-S264 WeakPolarHBondContact CB-OG 3.31Å |
| 112 | V | 89.7 | Confident | 88.4 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 24% | 0.236 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | G108 G109 I110 L115 N116 M265 A268 | G108-V112 WeakPolarHBondContact O-CG2 3.33Å; G108-V112 PolarHBondContact O-N 3.3Å; G109-V112 PolarHBondContact O-N 2.99Å; I110-V112 PolarHBondContact O-N 2.82Å; V112-L115 PolarHBondContact O-N 2.69Å; V112-N116 PolarHBondContact O-N 3.4Å; V112-N116 PolarHBondContact O-ND2 2.77Å; V112-M265 HydrophobicContact CG2-SD 3.89Å; V112-A268 HydrophobicContact CG2-CB 3.78Å |
| 113 | M | 90.3 | Very high | 89.7 | Confident | 115 Ų | 115 | 62.1 Ų | 62.1 | 57% | 0.567 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.4 | -44.6 | 172.9 | -175.4 | -175.7 | 69.9 | 0 | 0 | 111.2 | G109 I110 A111 L115 N116 L117 | G109-M113 PolarHBondContact O-N 3.4Å; I110-M113 WeakPolarHBondContact O-CB 3.34Å; I110-M113 PolarHBondContact O-N 3.35Å; A111-M113 VanDerWaalsContact C-N 3.32Å; A111-M113 PolarHBondContact O-N 3.42Å; M113-L115 VanDerWaalsContact C-N 3.31Å; M113-L115 PolarHBondContact O-N 3.03Å; M113-N116 WeakPolarHBondContact O-CB 3.24Å; M113-N116 PolarHBondContact O-N 2.99Å; M113-L117 PolarHBondContact O-N 3.03Å |
| 114 | C | 93.5 | Very high | 90.7 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 37% | 0.372 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 174.9 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | I110 A111 N116 L117 V118 | I110-C114 PolarHBondContact O-N 3.1Å; I110-C114 PolarHBondContact O-SG 3.43Å; I110-C114 VanDerWaalsContact O-SG 3.35Å; A111-C114 CarbonylContact O-C 3.14Å; A111-C114 WeakPolarHBondContact O-CA 3.47Å; A111-C114 WeakPolarHBondContact O-CB 3.45Å; A111-C114 PolarHBondContact O-N 3.44Å; A111-C114 VanDerWaalsContact O-N 3.1Å; C114-N116 VanDerWaalsContact C-N 3.26Å; C114-N116 PolarHBondContact O-N 3.44Å; C114-L117 WeakPolarHBondContact O-CB 3.19Å; C114-L117 PolarHBondContact O-N 3.32Å; C114-L117 VanDerWaalsContact O-N 3.07Å; C114-V118 WeakPolarHBondContact O-CG2 3.25Å; C114-V118 PolarHBondContact O-N 3.4Å |
| 115 | L | 93.6 | Very high | 91.8 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.2 | -34.6 | 176.4 | -63.9 | 178.7 | 0 | 0 | 0 | 112.5 | A111 V112 M113 L117 V118 L119 M232 I260 T261 | A111-L115 WeakPolarHBondContact O-CG 3.16Å; A111-L115 PolarHBondContact O-N 3.49Å; V112-L115 PolarHBondContact O-N 2.69Å; M113-L115 VanDerWaalsContact C-N 3.31Å; M113-L115 PolarHBondContact O-N 3.03Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-V118 WeakPolarHBondContact O-CB 3.37Å; L115-V118 PolarHBondContact O-N 3.39Å; L115-L119 PolarHBondContact O-N 3.09Å; L115-M232 HydrophobicContact CB-CE 4.21Å; L115-M232 HydrophobicContact CD2-CE 3.72Å; L115-M232 HydrophobicContact CG-CE 4.38Å; L115-I260 HydrophobicContact CD2-CG2 4.38Å; L115-T261 HydrophobicContact CD1-CG2 3.98Å |
| 116 | N | 91.8 | Very high | 92.9 | Very high | 94 Ų | 94 | 52.9 Ų | 52.9 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 174.5 | -72.2 | -78.9 | 0 | 0 | 0 | 111.8 | V112 M113 C114 L119 L120 | V112-N116 PolarHBondContact O-N 3.4Å; V112-N116 PolarHBondContact O-ND2 2.77Å; M113-N116 WeakPolarHBondContact O-CB 3.24Å; M113-N116 PolarHBondContact O-N 2.99Å; C114-N116 VanDerWaalsContact C-N 3.26Å; C114-N116 PolarHBondContact O-N 3.44Å; N116-L119 PolarHBondContact O-N 2.88Å; N116-L120 PolarHBondContact O-N 3.5Å |
| 117 | L | 93.6 | Very high | 93.5 | Very high | 95 Ų | 95 | 52 Ų | 52 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 172.4 | -63.5 | 176.4 | 0 | 0 | 0 | 111.6 | M113 C114 L115 L120 L121 | M113-L117 PolarHBondContact O-N 3.03Å; C114-L117 WeakPolarHBondContact O-CB 3.19Å; C114-L117 PolarHBondContact O-N 3.32Å; C114-L117 VanDerWaalsContact O-N 3.07Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L117-L120 PolarHBondContact O-N 3.4Å; L117-L121 WeakPolarHBondContact O-CB 3.46Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.49Å; L117-L121 PolarHBondContact O-N 3Å |
| 118 | V | 95.8 | Very high | 94.1 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 30% | 0.303 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.7 | -48 | 174 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | C114 L115 L120 L121 V122 M232 F257 | C114-V118 WeakPolarHBondContact O-CG2 3.25Å; C114-V118 PolarHBondContact O-N 3.4Å; L115-V118 WeakPolarHBondContact O-CB 3.37Å; L115-V118 PolarHBondContact O-N 3.39Å; V118-L120 VanDerWaalsContact C-N 3.33Å; V118-L120 PolarHBondContact O-N 3.36Å; V118-L121 PolarHBondContact O-N 3.22Å; V118-V122 HydrophobicContact CG1-CG2 3.91Å; V118-V122 WeakPolarHBondContact O-CB 3.34Å; V118-V122 WeakPolarHBondContact O-CG2 3.21Å; V118-V122 PolarHBondContact O-N 3.11Å; V118-M232 HydrophobicContact CG1-CE 4.49Å; V118-F257 HydrophobicContact CG1-CD1 4.45Å; V118-F257 HydrophobicContact CG1-CE1 3.81Å; V118-F257 HydrophobicContact CG1-CZ 4.37Å |
| 119 | L | 97 | Very high | 94.7 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.2 | -50.5 | 174.6 | 173.5 | 62.9 | 0 | 0 | 0 | 111.1 | L115 N116 S123 A203 L206 W207 L235 | L115-L119 PolarHBondContact O-N 3.09Å; N116-L119 PolarHBondContact O-N 2.88Å; L119-S123 WeakPolarHBondContact O-CB 3.32Å; L119-S123 PolarHBondContact O-N 3.31Å; L119-S123 PolarHBondContact O-OG 2.96Å; L119-S123 VanDerWaalsContact O-OG 3.06Å; L119-A203 HydrophobicContact CD2-CB 3.88Å; L119-L206 HydrophobicContact CD1-CB 4.5Å; L119-W207 HydrophobicContact CD1-CD2 3.9Å; L119-W207 HydrophobicContact CD1-CE3 3.84Å; L119-W207 HydrophobicContact CD1-CH2 3.92Å; L119-W207 HydrophobicContact CD1-CZ2 3.97Å; L119-W207 HydrophobicContact CD1-CZ3 3.83Å; L119-W207 HydrophobicContact CD2-CD2 4.43Å; L119-W207 HydrophobicContact CD2-CZ2 3.94Å; L119-W207 HydrophobicContact CG-CZ2 4.5Å; L119-L235 HydrophobicContact CD1-CD1 4.35Å; L119-L235 HydrophobicContact CD1-CD2 4.13Å |
| 120 | L | 96.5 | Very high | 95 | Very high | 61 Ų | 61 | 59 Ų | 59 | 32% | 0.319 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.2 | -54.8 | -178.8 | -179.2 | 63.1 | 0 | 0 | 0 | 112.1 | N116 L117 V118 I124 L202 L206 | N116-L120 PolarHBondContact O-N 3.5Å; L117-L120 PolarHBondContact O-N 3.4Å; V118-L120 VanDerWaalsContact C-N 3.33Å; V118-L120 PolarHBondContact O-N 3.36Å; L120-I124 HydrophobicContact CD1-CD1 3.87Å; L120-I124 HydrophobicContact CG-CD1 4.06Å; L120-I124 WeakPolarHBondContact O-CD1 3.41Å; L120-I124 VanDerWaalsContact O-CG1 3.25Å; L120-I124 WeakPolarHBondContact O-CG1 3.39Å; L120-I124 PolarHBondContact O-N 2.92Å; L120-L202 HydrophobicContact CD1-CD2 4.09Å; L120-L206 HydrophobicContact CD1-CD1 3.6Å |
| 121 | L | 97.5 | Very high | 95.1 | Very high | 110 Ų | 110 | 57.4 Ų | 57.4 | 58% | 0.576 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.7 | -45.8 | -175 | -65.9 | 175.9 | 0 | 0 | 0 | 111.4 | L117 V118 I124 T125 | L117-L121 WeakPolarHBondContact O-CB 3.46Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.49Å; L117-L121 PolarHBondContact O-N 3Å; V118-L121 PolarHBondContact O-N 3.22Å; L121-I124 PolarHBondContact O-N 3.47Å; L121-T125 PolarHBondContact O-N 3.28Å; L121-T125 PolarHBondContact O-OG1 3.07Å |
| 122 | V | 98.1 | Very high | 95.2 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 11% | 0.109 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.6 | -41.4 | -179.1 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | V118 I124 T125 I126 L235 L239 F257 | V118-V122 HydrophobicContact CG1-CG2 3.91Å; V118-V122 WeakPolarHBondContact O-CB 3.34Å; V118-V122 WeakPolarHBondContact O-CG2 3.21Å; V118-V122 PolarHBondContact O-N 3.11Å; V122-I124 VanDerWaalsContact C-N 3.34Å; V122-I124 PolarHBondContact O-N 3.17Å; V122-T125 PolarHBondContact O-N 3.41Å; V122-I126 HydrophobicContact CG1-CD1 3.76Å; V122-I126 HydrophobicContact CG1-CG1 4.24Å; V122-I126 VanDerWaalsContact O-CG1 3.27Å; V122-I126 WeakPolarHBondContact O-CG1 3.47Å; V122-I126 PolarHBondContact O-N 2.92Å; V122-L235 HydrophobicContact CB-CD1 4.31Å; V122-L235 HydrophobicContact CB-CD2 4.25Å; V122-L235 HydrophobicContact CB-CG 4.3Å; V122-L235 HydrophobicContact CG1-CD1 3.77Å; V122-L235 HydrophobicContact CG1-CD2 4.2Å; V122-L235 HydrophobicContact CG1-CG 3.73Å; V122-L239 HydrophobicContact CG1-CB 3.95Å; V122-L239 HydrophobicContact CG1-CD1 4.24Å; V122-L239 HydrophobicContact CG1-CD2 3.78Å; V122-L239 HydrophobicContact CG1-CG 4.19Å; V122-L239 HydrophobicContact CG2-CD2 4.29Å; V122-F257 HydrophobicContact CG1-CE1 4.28Å; V122-F257 HydrophobicContact CG2-CE1 4.09Å; V122-F257 HydrophobicContact CG2-CZ 4.08Å |
| 123 | S | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64 | -38.8 | 175.7 | -70.3 | 0 | 0 | 0 | 0 | 112 | L119 I126 L127 L206 | L119-S123 WeakPolarHBondContact O-CB 3.32Å; L119-S123 PolarHBondContact O-N 3.31Å; L119-S123 PolarHBondContact O-OG 2.96Å; L119-S123 VanDerWaalsContact O-OG 3.06Å; S123-I126 PolarHBondContact O-N 2.77Å; S123-L127 WeakPolarHBondContact O-CB 3.47Å; S123-L127 WeakPolarHBondContact O-CG 3.31Å; S123-L127 PolarHBondContact O-N 3.43Å; S123-L206 PolarHBondContact OG-O 3.01Å |
| 124 | I | 97.6 | Very high | 95.5 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 39% | 0.39 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 173.4 | -69.2 | 166.5 | 0 | 0 | 0 | 110.6 | L120 L121 V122 I126 L127 L128 | L120-I124 HydrophobicContact CD1-CD1 3.87Å; L120-I124 HydrophobicContact CG-CD1 4.06Å; L120-I124 WeakPolarHBondContact O-CD1 3.41Å; L120-I124 VanDerWaalsContact O-CG1 3.25Å; L120-I124 WeakPolarHBondContact O-CG1 3.39Å; L120-I124 PolarHBondContact O-N 2.92Å; L121-I124 PolarHBondContact O-N 3.47Å; V122-I124 VanDerWaalsContact C-N 3.34Å; V122-I124 PolarHBondContact O-N 3.17Å; I124-I126 PolarHBondContact O-N 3.04Å; I124-L127 PolarHBondContact O-N 3.36Å; I124-L128 HydrophobicContact CG2-CD1 4.09Å; I124-L128 HydrophobicContact CG2-CG 4.45Å; I124-L128 WeakPolarHBondContact O-CG 3.09Å; I124-L128 PolarHBondContact O-N 3.41Å |
| 125 | T | 97.9 | Very high | 95.6 | Very high | 60 Ų | 60 | 59 Ų | 59 | 37% | 0.368 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 176.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | L121 V122 L127 L128 L129 L239 | L121-T125 PolarHBondContact O-N 3.28Å; L121-T125 PolarHBondContact O-OG1 3.07Å; V122-T125 PolarHBondContact O-N 3.41Å; T125-L127 VanDerWaalsContact C-N 3.34Å; T125-L127 PolarHBondContact O-N 2.91Å; T125-L128 PolarHBondContact O-N 3.23Å; T125-L129 HydrophobicContact CG2-CD1 3.79Å; T125-L129 HydrophobicContact CG2-CG 4.35Å; T125-L129 WeakPolarHBondContact O-CB 3.48Å; T125-L129 VanDerWaalsContact O-CG 3.27Å; T125-L129 WeakPolarHBondContact O-CG 3.45Å; T125-L129 PolarHBondContact O-N 3.41Å; T125-L239 HydrophobicContact CG2-CD1 4.06Å |
| 126 | I | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 176.9 | -68.4 | 166 | 0 | 0 | 0 | 110.7 | V122 S123 I124 L128 L129 N130 V209 L235 T238 L239 | V122-I126 HydrophobicContact CG1-CD1 3.76Å; V122-I126 HydrophobicContact CG1-CG1 4.24Å; V122-I126 VanDerWaalsContact O-CG1 3.27Å; V122-I126 WeakPolarHBondContact O-CG1 3.47Å; V122-I126 PolarHBondContact O-N 2.92Å; S123-I126 PolarHBondContact O-N 2.77Å; I124-I126 PolarHBondContact O-N 3.04Å; I126-L128 VanDerWaalsContact C-N 3.34Å; I126-L128 PolarHBondContact O-N 2.95Å; I126-L129 PolarHBondContact O-N 2.88Å; I126-N130 WeakPolarHBondContact CG2-ND2 3.39Å; I126-N130 VanDerWaalsContact O-CB 3.28Å; I126-N130 WeakPolarHBondContact O-CB 3.37Å; I126-N130 PolarHBondContact O-N 2.94Å; I126-V209 HydrophobicContact CB-CG1 3.78Å; I126-V209 HydrophobicContact CG2-CG1 3.5Å; I126-V209 VanDerWaalsContact CG2-CG1 3.5Å; I126-L235 HydrophobicContact CD1-CD1 3.82Å; I126-T238 HydrophobicContact CD1-CG2 4.19Å; I126-T238 HydrophobicContact CG2-CG2 3.79Å; I126-L239 HydrophobicContact CD1-CB 4.06Å; I126-L239 HydrophobicContact CG1-CB 4.09Å; I126-L239 HydrophobicContact CG1-CD1 4.11Å |
| 127 | L | 96.5 | Very high | 95.7 | Very high | 32 Ų | 32 | 61.5 Ų | 61.5 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 178 | -79.9 | 172.6 | 0 | 0 | 0 | 112 | S123 I124 T125 G131 G132 F134 L206 V209 | S123-L127 WeakPolarHBondContact O-CB 3.47Å; S123-L127 WeakPolarHBondContact O-CG 3.31Å; S123-L127 PolarHBondContact O-N 3.43Å; I124-L127 PolarHBondContact O-N 3.36Å; T125-L127 VanDerWaalsContact C-N 3.34Å; T125-L127 PolarHBondContact O-N 2.91Å; L127-G131 PolarHBondContact O-N 3.1Å; L127-G132 WeakPolarHBondContact O-CA 3.24Å; L127-G132 PolarHBondContact O-N 3.48Å; L127-F134 HydrophobicContact CD1-CE2 4.37Å; L127-F134 HydrophobicContact CD1-CZ 4.07Å; L127-F134 HydrophobicContact CD2-CD2 3.79Å; L127-F134 HydrophobicContact CD2-CE2 3.46Å; L127-F134 VanDerWaalsContact CD2-CE2 3.46Å; L127-F134 HydrophobicContact CD2-CG 4.45Å; L127-F134 HydrophobicContact CD2-CZ 3.87Å; L127-L206 HydrophobicContact CD1-CD2 4.5Å; L127-V209 HydrophobicContact CD1-CG2 3.72Å; L127-V209 HydrophobicContact CD2-CG1 4.06Å; L127-V209 HydrophobicContact CD2-CG2 3.87Å; L127-V209 HydrophobicContact CG-CB 4.38Å; L127-V209 HydrophobicContact CG-CG1 3.76Å; L127-V209 HydrophobicContact CG-CG2 3.68Å |
| 128 | L | 97.2 | Very high | 95.5 | Very high | 138 Ų | 138 | 61.1 Ų | 61.1 | 72% | 0.723 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 178.2 | -67.8 | 173.9 | 0 | 0 | 0 | 111.9 | I124 T125 I126 | I124-L128 HydrophobicContact CG2-CD1 4.09Å; I124-L128 HydrophobicContact CG2-CG 4.45Å; I124-L128 WeakPolarHBondContact O-CG 3.09Å; I124-L128 PolarHBondContact O-N 3.41Å; T125-L128 PolarHBondContact O-N 3.23Å; I126-L128 VanDerWaalsContact C-N 3.34Å; I126-L128 PolarHBondContact O-N 2.95Å |
| 129 | L | 96.9 | Very high | 95.1 | Very high | 82 Ų | 82 | 63.2 Ų | 63.2 | 43% | 0.429 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.9 | -35.2 | 179.9 | -67.7 | 173.4 | 0 | 0 | 0 | 112.8 | T125 I126 G131 A242 L243 | T125-L129 HydrophobicContact CG2-CD1 3.79Å; T125-L129 HydrophobicContact CG2-CG 4.35Å; T125-L129 WeakPolarHBondContact O-CB 3.48Å; T125-L129 VanDerWaalsContact O-CG 3.27Å; T125-L129 WeakPolarHBondContact O-CG 3.45Å; T125-L129 PolarHBondContact O-N 3.41Å; I126-L129 PolarHBondContact O-N 2.88Å; L129-G131 VanDerWaalsContact C-N 3.3Å; L129-G131 PolarHBondContact O-N 3.26Å; L129-A242 HydrophobicContact CB-CB 3.89Å; L129-A242 HydrophobicContact CD1-CB 3.94Å; L129-L243 HydrophobicContact CD1-CD2 3.65Å; L129-L243 HydrophobicContact CD1-CG 4.09Å |
| 130 | N | 94.4 | Very high | 94.6 | Very high | 58 Ų | 58 | 71.3 Ų | 71.3 | 31% | 0.31 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 13.2 | 179.5 | -69.2 | -9 | 0 | 0 | 0 | 113.2 | I126 G132 H133 A242 | I126-N130 WeakPolarHBondContact CG2-ND2 3.39Å; I126-N130 VanDerWaalsContact O-CB 3.28Å; I126-N130 WeakPolarHBondContact O-CB 3.37Å; I126-N130 PolarHBondContact O-N 2.94Å; N130-G132 VanDerWaalsContact C-N 3.26Å; N130-G132 PolarHBondContact O-N 2.94Å; N130-H133 PolarHBondContact O-CD2 2.96Å; N130-H133 VanDerWaalsContact O-CD2 3.23Å; N130-H133 PolarHBondContact O-N 3.41Å; N130-A242 WeakPolarHBondContact OD1-CB 3.49Å |
| 131 | G | 92.5 | Very high | 94.1 | Very high | 66 Ų | 66 | 76 Ų | 76 | 68% | 0.68 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 24.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L127 L129 | L127-G131 PolarHBondContact O-N 3.1Å; L129-G131 VanDerWaalsContact C-N 3.3Å; L129-G131 PolarHBondContact O-N 3.26Å |
| 132 | G | 92.2 | Very high | 93.5 | Very high | 41 Ų | 41 | 72.4 Ų | 72.4 | 42% | 0.423 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 4.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | L127 N130 F134 | L127-G132 WeakPolarHBondContact O-CA 3.24Å; L127-G132 PolarHBondContact O-N 3.48Å; N130-G132 VanDerWaalsContact C-N 3.26Å; N130-G132 PolarHBondContact O-N 2.94Å; G132-F134 WeakPolarHBondContact O-CD2 3.05Å |
| 133 | H | 92.9 | Very high | 93 | Very high | 144 Ų | 144 | 73.2 Ų | 73.2 | 67% | 0.667 | 41% | 0.412 | S | S | * | . | trans | -76.5 | 132.1 | 177.9 | -69.3 | -70.7 | 0 | 0 | 0 | 112.3 | N130 | N130-H133 PolarHBondContact O-CD2 2.96Å; N130-H133 VanDerWaalsContact O-CD2 3.23Å; N130-H133 PolarHBondContact O-N 3.41Å | ||
| 134 | F | 94.4 | Very high | 92.6 | Very high | 45 Ų | 45 | 76.2 Ų | 76.2 | 20% | 0.197 | 43% | 0.431 | C | S | . | . | trans | -89.8 | 146.2 | 173.5 | -75.8 | -114.5 | 0 | 0 | 0 | 110 | L127 G132 Q136 I138 F205 V209 | L127-F134 HydrophobicContact CD1-CE2 4.37Å; L127-F134 HydrophobicContact CD1-CZ 4.07Å; L127-F134 HydrophobicContact CD2-CD2 3.79Å; L127-F134 HydrophobicContact CD2-CE2 3.46Å; L127-F134 VanDerWaalsContact CD2-CE2 3.46Å; L127-F134 HydrophobicContact CD2-CG 4.45Å; L127-F134 HydrophobicContact CD2-CZ 3.87Å; G132-F134 WeakPolarHBondContact O-CD2 3.05Å; F134-Q136 VanDerWaalsContact C-N 3.33Å; F134-Q136 VanDerWaalsContact CB-O 3.24Å; F134-Q136 WeakPolarHBondContact CB-O 3.2Å; F134-I138 HydrophobicContact CD1-CD1 4.29Å; F134-I138 HydrophobicContact CD1-CG1 4.29Å; F134-I138 HydrophobicContact CD2-CD1 3.82Å; F134-I138 HydrophobicContact CD2-CG1 4.44Å; F134-I138 HydrophobicContact CE1-CD1 4.36Å; F134-I138 HydrophobicContact CE2-CD1 3.89Å; F134-I138 HydrophobicContact CG-CD1 4.05Å; F134-I138 HydrophobicContact CG-CG1 4.18Å; F134-I138 HydrophobicContact CZ-CD1 4.19Å; F134-F205 HydrophobicContact CE1-CD1 4.15Å; F134-F205 HydrophobicContact CE1-CD2 4.38Å; F134-F205 AromaticContact CE1-CE1 3.65Å; F134-F205 HydrophobicContact CE1-CE1 3.65Å; F134-F205 AromaticContact CE1-CE2 3.89Å; F134-F205 HydrophobicContact CE1-CE2 3.89Å; F134-F205 HydrophobicContact CE1-CG 4.5Å; F134-F205 AromaticContact CE1-CZ 3.5Å; F134-F205 HydrophobicContact CE1-CZ 3.5Å; F134-F205 VanDerWaalsContact CE1-CZ 3.5Å; F134-F205 HydrophobicContact CE2-CZ 4.16Å; F134-F205 HydrophobicContact CZ-CD1 4.29Å; F134-F205 AromaticContact CZ-CE1 3.39Å; F134-F205 HydrophobicContact CZ-CE1 3.39Å; F134-F205 HydrophobicContact CZ-CE2 4.09Å; F134-F205 AromaticContact CZ-CZ 3.26Å; F134-F205 HydrophobicContact CZ-CZ 3.26Å; F134-V209 HydrophobicContact CD1-CG2 3.83Å; F134-V209 HydrophobicContact CE1-CG2 3.49Å; F134-V209 VanDerWaalsContact CE1-CG2 3.49Å; F134-V209 HydrophobicContact CZ-CG2 3.99Å | ||
| 135 | A | 95 | Very high | 92.2 | Very high | 39 Ų | 39 | 74.2 Ų | 74.2 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -70 | -33 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | G208 V209 N212 | A135-G208 PolarHBondContact N-O 3.21Å; A135-V209 WeakPolarHBondContact CB-O 3.48Å; A135-V209 PolarHBondContact N-O 3.29Å; A135-N212 WeakPolarHBondContact O-CB 3.25Å; A135-N212 PolarHBondContact O-ND2 3.33Å |
| 136 | Q | 95.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 75.2 Ų | 75.2 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -101.7 | 127.3 | 171.3 | -178.1 | 58.4 | 57.7 | 0 | 0 | 110 | F134 I138 P144 G208 T211 | F134-Q136 VanDerWaalsContact C-N 3.33Å; F134-Q136 VanDerWaalsContact CB-O 3.24Å; F134-Q136 WeakPolarHBondContact CB-O 3.2Å; Q136-I138 PolarHBondContact O-N 3.28Å; Q136-P144 HydrophobicContact CG-CB 4.29Å; Q136-G208 PolarHBondContact N-O 3.04Å; Q136-T211 WeakPolarHBondContact CB-O 3.38Å |
| 137 | D | 91.6 | Very high | 91 | Very high | 129 Ų | 129 | 77 Ų | 77 | 69% | 0.69 | 45% | 0.447 | S | S | * | . | trans | -58 | 133.2 | 172.7 | -65.4 | -34.6 | 0 | 0 | 0 | 110.8 | N139 | D137-N139 PolarHBondContact O-N 3.34Š| ||
| 138 | I | 89.8 | Confident | 90.5 | Very high | 87 Ų | 87 | 77.6 Ų | 77.6 | 45% | 0.446 | 45% | 0.448 | S | S | . | . | trans | -77.6 | 109 | -178.5 | -59.6 | 171.6 | 0 | 0 | 0 | 108.7 | F134 Q136 F140 F205 | F134-I138 HydrophobicContact CD1-CD1 4.29Å; F134-I138 HydrophobicContact CD1-CG1 4.29Å; F134-I138 HydrophobicContact CD2-CD1 3.82Å; F134-I138 HydrophobicContact CD2-CG1 4.44Å; F134-I138 HydrophobicContact CE1-CD1 4.36Å; F134-I138 HydrophobicContact CE2-CD1 3.89Å; F134-I138 HydrophobicContact CG-CD1 4.05Å; F134-I138 HydrophobicContact CG-CG1 4.18Å; F134-I138 HydrophobicContact CZ-CD1 4.19Å; Q136-I138 PolarHBondContact O-N 3.28Å; I138-F140 HydrophobicContact CG2-CD2 4.01Å; I138-F140 HydrophobicContact CG2-CE1 4.25Å; I138-F140 HydrophobicContact CG2-CE2 3.38Å; I138-F140 HydrophobicContact CG2-CZ 3.53Å; I138-F205 HydrophobicContact CD1-CE2 3.81Å; I138-F205 HydrophobicContact CD1-CZ 3.93Å; I138-F205 HydrophobicContact CG1-CE2 4.12Å; I138-F205 HydrophobicContact CG2-CE2 4.31Å | ||
| 139 | N | 88.9 | Confident | 90 | Very high | 95 Ų | 95 | 75.9 Ų | 75.9 | 51% | 0.508 | 44% | 0.436 | S | S | . | . | trans | -127.2 | 117 | 170.4 | -169.9 | -27.9 | 0 | 0 | 0 | 109.6 | D137 L141 A142 | D137-N139 PolarHBondContact O-N 3.34Å; N139-L141 PolarHBondContact OD1-N 3.35Å; N139-A142 PolarHBondContact OD1-N 3.12Å | ||
| 140 | F | 85.7 | Confident | 89.6 | Confident | 178 Ų | 178 | 74 Ų | 74 | 78% | 0.781 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -86.2 | -10.7 | -179.5 | -65.3 | -76.5 | 0 | 0 | 0 | 113.8 | I138 | I138-F140 HydrophobicContact CG2-CD2 4.01Å; I138-F140 HydrophobicContact CG2-CE1 4.25Å; I138-F140 HydrophobicContact CG2-CE2 3.38Å; I138-F140 HydrophobicContact CG2-CZ 3.53Å |
| 141 | L | 84.9 | Confident | 89.2 | Confident | 159 Ų | 159 | 73.6 Ų | 73.6 | 83% | 0.832 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -104 | -29.2 | -175.7 | -62.1 | 175.3 | 0 | 0 | 0 | 112.6 | N139 | N139-L141 PolarHBondContact OD1-N 3.35Š|
| 142 | A | 85.3 | Confident | 88.9 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 29% | 0.289 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -117.4 | 134.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N139 | N139-A142 PolarHBondContact OD1-N 3.12Š|
| 143 | S | 88.2 | Confident | 88.6 | Confident | 35 Ų | 35 | 70.1 Ų | 70.1 | 25% | 0.245 | 40% | 0.395 | C | S | . | . | trans | -65.1 | 140.4 | 172.1 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | N145 Y148 Q149 | S143-N145 PolarHBondContact O-N 2.98Å; S143-N145 WeakPolarHBondContact OG-CB 3.48Å; S143-N145 PolarHBondContact OG-N 3.42Å; S143-N145 VanDerWaalsContact OG-N 3.15Å; S143-Y148 WeakPolarHBondContact CB-O 3.24Å; S143-Q149 PolarHBondContact O-NE2 3.44Å | ||
| 144 | P | 89.8 | Confident | 88.3 | Confident | 62 Ų | 62 | 67.2 Ų | 67.2 | 40% | 0.403 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -70.7 | -16.6 | 168.5 | 30.1 | -35.1 | 0 | 0 | 0 | 111.9 | Q136 P146 W213 | Q136-P144 HydrophobicContact CG-CB 4.29Å; P144-P146 WeakPolarHBondContact O-CD 3.36Å; P144-W213 HydrophobicContact CB-CB 3.89Å; P144-W213 HydrophobicContact CB-CD2 4.4Å; P144-W213 HydrophobicContact CB-CE3 4.25Å; P144-W213 HydrophobicContact CB-CG 4.25Å; P144-W213 HydrophobicContact CG-CE3 3.94Å; P144-W213 VanDerWaalsContact O-CG 3.27Å |
| 145 | N | 88.8 | Confident | 88 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 19% | 0.187 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -79.6 | 118.6 | 176.3 | -172 | -16.2 | 0 | 0 | 0 | 110.8 | S143 G147 Y148 Q149 W213 | S143-N145 PolarHBondContact O-N 2.98Å; S143-N145 WeakPolarHBondContact OG-CB 3.48Å; S143-N145 PolarHBondContact OG-N 3.42Å; S143-N145 VanDerWaalsContact OG-N 3.15Å; N145-G147 PolarHBondContact O-N 3.45Å; N145-G147 VanDerWaalsContact O-N 3.16Å; N145-G147 PolarHBondContact OD1-N 3.45Å; N145-Y148 HydrophobicContact CB-CD2 4.1Å; N145-Y148 WeakPolarHBondContact ND2-CD2 3.14Å; N145-Y148 WeakPolarHBondContact ND2-CE2 3.47Å; N145-Y148 PolarHBondContact O-N 2.82Å; N145-Q149 PolarHBondContact O-NE2 2.93Å; N145-W213 HydrophobicContact CB-CD2 4.16Å; N145-W213 HydrophobicContact CB-CE3 4.27Å; N145-W213 HydrophobicContact CB-CH2 3.53Å; N145-W213 HydrophobicContact CB-CZ2 3.35Å; N145-W213 HydrophobicContact CB-CZ3 3.98Å; N145-W213 WeakPolarHBondContact ND2-CH2 3.1Å; N145-W213 WeakPolarHBondContact ND2-CZ2 3.27Å |
| 146 | P | 85.7 | Confident | 87.5 | Confident | 80 Ų | 80 | 67.2 Ų | 67.2 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -57.5 | -29 | 176 | -24.9 | 35.3 | 0 | 0 | 0 | 113.7 | P144 Y148 Q149 | P144-P146 WeakPolarHBondContact O-CD 3.36Å; P146-Y148 PolarHBondContact O-N 3Å; P146-Q149 WeakPolarHBondContact O-CG 3.43Å |
| 147 | G | 84.3 | Confident | 87.2 | Confident | 38 Ų | 38 | 70 Ų | 70 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -75.7 | -2.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N145 A153 | N145-G147 PolarHBondContact O-N 3.45Å; N145-G147 VanDerWaalsContact O-N 3.16Å; N145-G147 PolarHBondContact OD1-N 3.45Å; G147-A153 VanDerWaalsContact O-CB 3.27Å; G147-A153 WeakPolarHBondContact O-CB 3.37Å |
| 148 | Y | 87.5 | Confident | 86.9 | Confident | 45 Ų | 45 | 66.1 Ų | 66.1 | 18% | 0.176 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -126.8 | 31.6 | -178.7 | -73 | -99.1 | 0 | 0 | 0 | 112.8 | S143 N145 P146 A153 M154 F157 | S143-Y148 WeakPolarHBondContact CB-O 3.24Å; N145-Y148 HydrophobicContact CB-CD2 4.1Å; N145-Y148 WeakPolarHBondContact ND2-CD2 3.14Å; N145-Y148 WeakPolarHBondContact ND2-CE2 3.47Å; N145-Y148 PolarHBondContact O-N 2.82Å; P146-Y148 PolarHBondContact O-N 3Å; Y148-A153 HydrophobicContact CD1-CB 4.03Å; Y148-A153 WeakPolarHBondContact CD1-O 3.46Å; Y148-A153 WeakPolarHBondContact CE1-O 3.27Å; Y148-A153 HydrophobicContact CG-CB 4.28Å; Y148-M154 WeakPolarHBondContact O-CE 3.42Å; Y148-F157 HydrophobicContact CD1-CB 4.12Å; Y148-F157 HydrophobicContact CE1-CB 3.74Å; Y148-F157 HydrophobicContact CE1-CD2 4.02Å; Y148-F157 HydrophobicContact CE1-CG 4.35Å |
| 149 | Q | 87.1 | Confident | 86.7 | Confident | 102 Ų | 102 | 62 Ų | 62 | 48% | 0.477 | 35% | 0.35 | S | S | . | . | trans | -80.5 | -27.4 | 176.3 | -63.3 | -59.1 | -34.9 | 0 | 0 | 113.3 | S143 N145 P146 | S143-Q149 PolarHBondContact O-NE2 3.44Å; N145-Q149 PolarHBondContact O-NE2 2.93Å; P146-Q149 WeakPolarHBondContact O-CG 3.43Å | ||
| 150 | S | 87.9 | Confident | 86.6 | Confident | 41 Ų | 41 | 59 Ų | 59 | 29% | 0.287 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -82.6 | 154 | -179 | 71.9 | 0 | 0 | 0 | 0 | 111.5 | L152 A153 M154 E404 | S150-L152 PolarHBondContact O-N 2.93Å; S150-A153 PolarHBondContact O-N 3.26Å; S150-A153 WeakPolarHBondContact OG-CB 3.16Å; S150-A153 PolarHBondContact OG-N 3.18Å; S150-M154 WeakPolarHBondContact O-CG 3.26Å; S150-M154 PolarHBondContact O-N 2.74Å; S150-E404 WeakPolarHBondContact CB-OE1 3.36Å; S150-E404 PolarHBondContact OG-OE1 3.49Å |
| 151 | G | 85.2 | Confident | 86.6 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 52% | 0.515 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.9 | -34.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M154 L155 | G151-M154 PolarHBondContact O-N 3.02Å; G151-L155 VanDerWaalsContact O-CG 3.27Å; G151-L155 WeakPolarHBondContact O-CG 3.26Å; G151-L155 PolarHBondContact O-N 3.25Å |
| 152 | L | 87 | Confident | 86.7 | Confident | 35 Ų | 35 | 46.3 Ų | 46.3 | 18% | 0.183 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 176.6 | 177 | 63.3 | 0 | 0 | 0 | 111.6 | S150 L155 S156 F396 I399 Q400 V403 E404 | S150-L152 PolarHBondContact O-N 2.93Å; L152-L155 PolarHBondContact O-N 2.9Å; L152-S156 PolarHBondContact O-N 2.98Å; L152-F396 HydrophobicContact CD1-CB 4.18Å; L152-F396 HydrophobicContact CD1-CD1 3.26Å; L152-F396 HydrophobicContact CD1-CE1 3.93Å; L152-F396 HydrophobicContact CD1-CG 4.07Å; L152-I399 HydrophobicContact CD1-CD1 4.03Å; L152-I399 HydrophobicContact CD1-CG1 4.1Å; L152-Q400 HydrophobicContact CD2-CB 4.37Å; L152-Q400 HydrophobicContact CG-CB 4.16Å; L152-Q400 HydrophobicContact CG-CG 4.29Å; L152-V403 HydrophobicContact CD2-CB 3.86Å; L152-V403 HydrophobicContact CD2-CG1 3.67Å; L152-V403 HydrophobicContact CD2-CG2 4.4Å; L152-E404 HydrophobicContact CD2-CG 4.25Å |
| 153 | A | 85.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | G147 Y148 S150 L155 S156 F157 Q400 | G147-A153 VanDerWaalsContact O-CB 3.27Å; G147-A153 WeakPolarHBondContact O-CB 3.37Å; Y148-A153 HydrophobicContact CD1-CB 4.03Å; Y148-A153 WeakPolarHBondContact CD1-O 3.46Å; Y148-A153 WeakPolarHBondContact CE1-O 3.27Å; Y148-A153 HydrophobicContact CG-CB 4.28Å; S150-A153 PolarHBondContact O-N 3.26Å; S150-A153 WeakPolarHBondContact OG-CB 3.16Å; S150-A153 PolarHBondContact OG-N 3.18Å; A153-L155 VanDerWaalsContact C-N 3.29Å; A153-L155 PolarHBondContact O-N 3.23Å; A153-S156 WeakPolarHBondContact O-CB 3.37Å; A153-S156 PolarHBondContact O-N 2.91Å; A153-S156 VanDerWaalsContact O-N 3.11Å; A153-S156 PolarHBondContact O-OG 2.85Å; A153-F157 PolarHBondContact O-N 3.42Å; A153-F157 VanDerWaalsContact O-N 3.16Å; A153-Q400 HydrophobicContact CB-CG 4.31Å |
| 154 | M | 85.9 | Confident | 86.4 | Confident | 82 Ų | 82 | 47.7 Ų | 47.7 | 40% | 0.404 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 173.7 | -68.6 | -179.1 | -173.1 | 0 | 0 | 112 | Y148 S150 G151 F157 | Y148-M154 WeakPolarHBondContact O-CE 3.42Å; S150-M154 WeakPolarHBondContact O-CG 3.26Å; S150-M154 PolarHBondContact O-N 2.74Å; G151-M154 PolarHBondContact O-N 3.02Å; M154-F157 WeakPolarHBondContact O-CB 3.44Å; M154-F157 PolarHBondContact O-N 3.14Å |
| 155 | L | 87.4 | Confident | 85.9 | Confident | 81 Ų | 81 | 48.1 Ų | 48.1 | 42% | 0.424 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.9 | -33.2 | 175.8 | -68.9 | 170.7 | 0 | 0 | 0 | 112.7 | G151 L152 A153 F157 V158 F396 | G151-L155 VanDerWaalsContact O-CG 3.27Å; G151-L155 WeakPolarHBondContact O-CG 3.26Å; G151-L155 PolarHBondContact O-N 3.25Å; L152-L155 PolarHBondContact O-N 2.9Å; A153-L155 VanDerWaalsContact C-N 3.29Å; A153-L155 PolarHBondContact O-N 3.23Å; L155-F157 PolarHBondContact O-N 3.1Å; L155-V158 VanDerWaalsContact O-CB 3.29Å; L155-V158 WeakPolarHBondContact O-CB 3.45Å; L155-V158 VanDerWaalsContact O-CG2 3.22Å; L155-V158 WeakPolarHBondContact O-CG2 3.37Å; L155-V158 PolarHBondContact O-N 3.34Å; L155-F396 HydrophobicContact CB-CB 4.26Å; L155-F396 HydrophobicContact CB-CD2 3.63Å; L155-F396 HydrophobicContact CB-CE2 4.11Å; L155-F396 HydrophobicContact CB-CG 3.96Å; L155-F396 HydrophobicContact CD1-CD2 4.13Å; L155-F396 HydrophobicContact CD1-CE1 4.4Å; L155-F396 HydrophobicContact CD1-CE2 3.73Å; L155-F396 HydrophobicContact CD1-CZ 3.88Å; L155-F396 HydrophobicContact CG-CD2 4.4Å; L155-F396 HydrophobicContact CG-CE2 4.39Å |
| 156 | S | 86.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -29.4 | 173.8 | 82.3 | 0 | 0 | 0 | 0 | 112.5 | L152 A153 V158 V159 T397 | L152-S156 PolarHBondContact O-N 2.98Å; A153-S156 WeakPolarHBondContact O-CB 3.37Å; A153-S156 PolarHBondContact O-N 2.91Å; A153-S156 VanDerWaalsContact O-N 3.11Å; A153-S156 PolarHBondContact O-OG 2.85Å; S156-V158 PolarHBondContact O-N 3.45Å; S156-V158 VanDerWaalsContact O-N 3.16Å; S156-V159 PolarHBondContact O-N 3.5Å; S156-T397 PolarHBondContact O-OG1 2.89Å |
| 157 | F | 87 | Confident | 84.7 | Confident | 99 Ų | 99 | 45.4 Ų | 45.4 | 43% | 0.434 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.8 | 177.4 | -170.3 | -102.6 | 0 | 0 | 0 | 112.9 | Y148 A153 M154 L155 V159 F160 A161 | Y148-F157 HydrophobicContact CD1-CB 4.12Å; Y148-F157 HydrophobicContact CE1-CB 3.74Å; Y148-F157 HydrophobicContact CE1-CD2 4.02Å; Y148-F157 HydrophobicContact CE1-CG 4.35Å; A153-F157 PolarHBondContact O-N 3.42Å; A153-F157 VanDerWaalsContact O-N 3.16Å; M154-F157 WeakPolarHBondContact O-CB 3.44Å; M154-F157 PolarHBondContact O-N 3.14Å; L155-F157 PolarHBondContact O-N 3.1Å; F157-V159 PolarHBondContact O-N 2.88Å; F157-V159 VanDerWaalsContact O-N 3.1Å; F157-F160 HydrophobicContact CD2-CB 4.14Å; F157-F160 HydrophobicContact CD2-CD2 4.1Å; F157-F160 HydrophobicContact CD2-CG 4.28Å; F157-F160 HydrophobicContact CE2-CB 3.95Å; F157-F160 HydrophobicContact CE2-CD2 4.49Å; F157-F160 HydrophobicContact CE2-CG 4.24Å; F157-F160 HydrophobicContact CZ-CB 4.24Å; F157-F160 WeakPolarHBondContact O-CA 3.49Å; F157-F160 WeakPolarHBondContact O-CB 3.48Å; F157-F160 PolarHBondContact O-N 2.64Å; F157-A161 PolarHBondContact O-N 3.41Å |
| 158 | V | 85.9 | Confident | 84.3 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 28% | 0.279 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.3 | -30.1 | -179.2 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | L155 S156 F160 A161 I162 V389 A393 | L155-V158 VanDerWaalsContact O-CB 3.29Å; L155-V158 WeakPolarHBondContact O-CB 3.45Å; L155-V158 VanDerWaalsContact O-CG2 3.22Å; L155-V158 WeakPolarHBondContact O-CG2 3.37Å; L155-V158 PolarHBondContact O-N 3.34Å; S156-V158 PolarHBondContact O-N 3.45Å; S156-V158 VanDerWaalsContact O-N 3.16Å; V158-F160 PolarHBondContact O-N 2.85Å; V158-A161 WeakPolarHBondContact O-CB 3.41Å; V158-A161 PolarHBondContact O-N 2.94Å; V158-I162 HydrophobicContact CG1-CD1 3.87Å; V158-I162 HydrophobicContact CG1-CG1 4.17Å; V158-I162 VanDerWaalsContact O-CG1 3.31Å; V158-I162 WeakPolarHBondContact O-CG1 3.14Å; V158-I162 PolarHBondContact O-N 3.1Å; V158-V389 HydrophobicContact CG1-CG1 4.34Å; V158-A393 HydrophobicContact CB-CB 3.87Å; V158-A393 HydrophobicContact CG1-CB 3.68Å |
| 159 | V | 86.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 174.6 | 163.2 | 0 | 0 | 0 | 0 | 112.2 | S156 F157 A161 I162 F163 N343 A393 T397 | S156-V159 PolarHBondContact O-N 3.5Å; F157-V159 PolarHBondContact O-N 2.88Å; F157-V159 VanDerWaalsContact O-N 3.1Å; V159-A161 VanDerWaalsContact C-N 3.32Å; V159-I162 PolarHBondContact O-N 2.62Å; V159-F163 VanDerWaalsContact O-CB 3.22Å; V159-F163 WeakPolarHBondContact O-CB 3.47Å; V159-F163 PolarHBondContact O-N 3.46Å; V159-N343 HydrophobicContact CG1-CB 3.39Å; V159-A393 HydrophobicContact CG2-CB 3.55Å; V159-A393 WeakPolarHBondContact CG2-O 3.14Å; V159-T397 HydrophobicContact CB-CG2 4.36Å; V159-T397 WeakPolarHBondContact CB-OG1 3.49Å; V159-T397 HydrophobicContact CG1-CG2 4.4Å; V159-T397 HydrophobicContact CG2-CG2 4.42Å; V159-T397 WeakPolarHBondContact CG2-OG1 3.35Å |
| 160 | F | 86.9 | Confident | 82.8 | Confident | 34 Ų | 34 | 43.8 Ų | 43.8 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 173.4 | -71.2 | -93.8 | 0 | 0 | 0 | 110.9 | F157 V158 F163 A164 L224 T339 L340 N343 | F157-F160 HydrophobicContact CD2-CB 4.14Å; F157-F160 HydrophobicContact CD2-CD2 4.1Å; F157-F160 HydrophobicContact CD2-CG 4.28Å; F157-F160 HydrophobicContact CE2-CB 3.95Å; F157-F160 HydrophobicContact CE2-CD2 4.49Å; F157-F160 HydrophobicContact CE2-CG 4.24Å; F157-F160 HydrophobicContact CZ-CB 4.24Å; F157-F160 WeakPolarHBondContact O-CA 3.49Å; F157-F160 WeakPolarHBondContact O-CB 3.48Å; F157-F160 PolarHBondContact O-N 2.64Å; V158-F160 PolarHBondContact O-N 2.85Å; F160-F163 PolarHBondContact O-N 2.9Å; F160-A164 WeakPolarHBondContact O-CB 3.42Å; F160-A164 PolarHBondContact O-N 3.41Å; F160-L224 HydrophobicContact CE1-CD1 3.97Å; F160-L224 HydrophobicContact CZ-CD1 3.88Å; F160-T339 HydrophobicContact CE1-CG2 3.77Å; F160-T339 HydrophobicContact CZ-CG2 4.36Å; F160-L340 HydrophobicContact CE2-CD2 3.82Å; F160-L340 HydrophobicContact CZ-CD2 3.78Å; F160-N343 WeakPolarHBondContact CD1-ND2 3.09Å; F160-N343 WeakPolarHBondContact CE1-ND2 3.23Å |
| 161 | A | 85.6 | Confident | 82.1 | Confident | 40 Ų | 40 | 45 Ų | 45 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F157 V158 V159 F163 A164 Y165 | F157-A161 PolarHBondContact O-N 3.41Å; V158-A161 WeakPolarHBondContact O-CB 3.41Å; V158-A161 PolarHBondContact O-N 2.94Å; V159-A161 VanDerWaalsContact C-N 3.32Å; A161-F163 VanDerWaalsContact C-N 3.34Å; A161-F163 PolarHBondContact O-N 3.36Å; A161-A164 WeakPolarHBondContact O-CB 3.45Å; A161-A164 PolarHBondContact O-N 3.11Å; A161-Y165 WeakPolarHBondContact O-CD2 3.24Å |
| 162 | I | 87.1 | Confident | 81.3 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 15% | 0.154 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 178.1 | -62.5 | 164.3 | 0 | 0 | 0 | 110.4 | V158 V159 A164 Y165 G166 T347 Y350 V389 V390 A393 | V158-I162 HydrophobicContact CG1-CD1 3.87Å; V158-I162 HydrophobicContact CG1-CG1 4.17Å; V158-I162 VanDerWaalsContact O-CG1 3.31Å; V158-I162 WeakPolarHBondContact O-CG1 3.14Å; V158-I162 PolarHBondContact O-N 3.1Å; V159-I162 PolarHBondContact O-N 2.62Å; I162-A164 VanDerWaalsContact C-N 3.26Å; I162-A164 PolarHBondContact O-N 2.77Å; I162-Y165 PolarHBondContact O-N 3.34Å; I162-Y165 VanDerWaalsContact O-N 3.08Å; I162-G166 PolarHBondContact O-N 3.2Å; I162-T347 HydrophobicContact CB-CG2 4.01Å; I162-T347 HydrophobicContact CG2-CG2 3.64Å; I162-Y350 HydrophobicContact CG2-CD2 4.12Å; I162-Y350 HydrophobicContact CG2-CE2 4.21Å; I162-V389 HydrophobicContact CD1-CG1 4.19Å; I162-V390 HydrophobicContact CD1-CG2 4.21Å; I162-A393 HydrophobicContact CD1-CB 3.64Å |
| 163 | F | 83.7 | Confident | 80.4 | Confident | 62 Ų | 62 | 43 Ų | 43 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.5 | -34.7 | 177.9 | 176 | -99.9 | 0 | 0 | 0 | 112.7 | V159 F160 A161 Y165 G166 N343 M346 | V159-F163 VanDerWaalsContact O-CB 3.22Å; V159-F163 WeakPolarHBondContact O-CB 3.47Å; V159-F163 PolarHBondContact O-N 3.46Å; F160-F163 PolarHBondContact O-N 2.9Å; A161-F163 VanDerWaalsContact C-N 3.34Å; A161-F163 PolarHBondContact O-N 3.36Å; F163-Y165 PolarHBondContact O-N 3.19Å; F163-G166 WeakPolarHBondContact O-CA 3.41Å; F163-G166 PolarHBondContact O-N 3.34Å; F163-N343 HydrophobicContact CB-CB 4.29Å; F163-N343 WeakPolarHBondContact CD1-OD1 3.44Å; F163-N343 HydrophobicContact CG-CB 4.38Å; F163-N343 WeakPolarHBondContact CG-OD1 3.11Å; F163-M346 HydrophobicContact CD2-CB 3.76Å; F163-M346 HydrophobicContact CD2-CG 4.22Å; F163-M346 HydrophobicContact CE2-CB 3.95Å; F163-M346 HydrophobicContact CE2-CE 4.27Å; F163-M346 HydrophobicContact CE2-CG 3.88Å |
| 164 | A | 83.2 | Confident | 79.7 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -22.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F160 A161 I162 Y200 | F160-A164 WeakPolarHBondContact O-CB 3.42Å; F160-A164 PolarHBondContact O-N 3.41Å; A161-A164 WeakPolarHBondContact O-CB 3.45Å; A161-A164 PolarHBondContact O-N 3.11Å; I162-A164 VanDerWaalsContact C-N 3.26Å; I162-A164 PolarHBondContact O-N 2.77Å; A164-Y200 HydrophobicContact CB-CE2 3.96Å |
| 165 | Y | 79.7 | Confident | 79 | Confident | 72 Ų | 72 | 43.8 Ų | 43.8 | 28% | 0.282 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 4.8 | 171.1 | -65.8 | -83.3 | 0 | 0 | 0 | 113 | A161 I162 F163 I168 I196 S197 | A161-Y165 WeakPolarHBondContact O-CD2 3.24Å; I162-Y165 PolarHBondContact O-N 3.34Å; I162-Y165 VanDerWaalsContact O-N 3.08Å; F163-Y165 PolarHBondContact O-N 3.19Å; Y165-I168 HydrophobicContact CD1-CD1 3.93Å; Y165-I168 HydrophobicContact CG-CD1 4.49Å; Y165-I168 WeakPolarHBondContact O-CD1 3.34Å; Y165-I168 VanDerWaalsContact O-CG1 3.29Å; Y165-I168 WeakPolarHBondContact O-CG1 3.25Å; Y165-I196 HydrophobicContact CD1-CG2 4.06Å; Y165-I196 HydrophobicContact CE1-CB 3.98Å; Y165-I196 HydrophobicContact CE1-CG2 3.42Å; Y165-I196 VanDerWaalsContact CE1-CG2 3.42Å; Y165-S197 VanDerWaalsContact OH-CA 3.26Å; Y165-S197 WeakPolarHBondContact OH-CA 3.19Å; Y165-S197 PolarHBondContact OH-N 3.38Å; Y165-S197 PolarHBondContact OH-OG 3.21Å |
| 166 | G | 75.7 | Confident | 78 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 143.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I162 F163 Y350 | I162-G166 PolarHBondContact O-N 3.2Å; F163-G166 WeakPolarHBondContact O-CA 3.41Å; F163-G166 PolarHBondContact O-N 3.34Å; G166-Y350 WeakPolarHBondContact CA-OH 3.33Å |
| 167 | G | 73.3 | Confident | 77.3 | Confident | 28 Ų | 28 | 50.2 Ų | 50.2 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -13.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E169 A170 Y350 | G167-E169 VanDerWaalsContact CA-OE2 3.29Å; G167-E169 WeakPolarHBondContact CA-OE2 3.24Å; G167-E169 PolarHBondContact N-OE1 2.72Å; G167-E169 PolarHBondContact N-OE2 3.03Å; G167-E169 PolarHBondContact O-N 3.01Å; G167-A170 VanDerWaalsContact O-CB 3.31Å; G167-A170 WeakPolarHBondContact O-CB 3.37Å; G167-A170 PolarHBondContact O-N 3.11Å; G167-Y350 PolarHBondContact N-OH 3.38Å |
| 168 | I | 75.5 | Confident | 76.6 | Confident | 67 Ų | 67 | 47.5 Ų | 47.5 | 34% | 0.344 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -27 | 174.3 | -67.1 | 175.2 | 0 | 0 | 0 | 111.2 | Y165 A170 V171 | Y165-I168 HydrophobicContact CD1-CD1 3.93Å; Y165-I168 HydrophobicContact CG-CD1 4.49Å; Y165-I168 WeakPolarHBondContact O-CD1 3.34Å; Y165-I168 VanDerWaalsContact O-CG1 3.29Å; Y165-I168 WeakPolarHBondContact O-CG1 3.25Å; I168-A170 PolarHBondContact O-N 3.04Å; I168-V171 WeakPolarHBondContact O-CB 3.27Å; I168-V171 PolarHBondContact O-N 3.21Å |
| 169 | E | 73.8 | Confident | 76.1 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.075 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -29.8 | 174.3 | 70 | -78.6 | -174.9 | 0 | 0 | 113.2 | M2 G167 V171 G172 Y350 | M2-E169 HydrophobicContact CG-CB 4.35Å; G167-E169 VanDerWaalsContact CA-OE2 3.29Å; G167-E169 WeakPolarHBondContact CA-OE2 3.24Å; G167-E169 PolarHBondContact N-OE1 2.72Å; G167-E169 PolarHBondContact N-OE2 3.03Å; G167-E169 PolarHBondContact O-N 3.01Å; E169-V171 VanDerWaalsContact C-N 3.26Å; E169-V171 PolarHBondContact O-N 3.14Å; E169-G172 PolarHBondContact O-N 2.88Å; E169-G172 VanDerWaalsContact O-N 3.1Å; E169-Y350 HydrophobicContact CB-CE1 4.27Å; E169-Y350 VanDerWaalsContact CD-OH 3.27Å; E169-Y350 HydrophobicContact CG-CE1 4.12Å; E169-Y350 PolarHBondContact OE1-OH 3.29Å; E169-Y350 VanDerWaalsContact OE2-CE1 3.3Å; E169-Y350 WeakPolarHBondContact OE2-CE1 3.47Å; E169-Y350 PolarHBondContact OE2-OH 3.4Å |
| 170 | A | 70.4 | Confident | 75.5 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 56% | 0.562 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.7 | -30.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G167 I168 G172 G173 | G167-A170 VanDerWaalsContact O-CB 3.31Å; G167-A170 WeakPolarHBondContact O-CB 3.37Å; G167-A170 PolarHBondContact O-N 3.11Å; I168-A170 PolarHBondContact O-N 3.04Å; A170-G172 PolarHBondContact O-N 3.4Å; A170-G173 PolarHBondContact O-N 3.38Å |
| 171 | V | 72.5 | Confident | 74.6 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 39% | 0.394 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.3 | -24.2 | 175.8 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | I168 E169 G173 L174 F185 | I168-V171 WeakPolarHBondContact O-CB 3.27Å; I168-V171 PolarHBondContact O-N 3.21Å; E169-V171 VanDerWaalsContact C-N 3.26Å; E169-V171 PolarHBondContact O-N 3.14Å; V171-G173 PolarHBondContact O-N 3.26Å; V171-G173 VanDerWaalsContact O-N 3.13Å; V171-L174 WeakPolarHBondContact O-CB 3.06Å; V171-L174 PolarHBondContact O-N 2.89Å; V171-F185 HydrophobicContact CG1-CE2 4.04Å; V171-F185 HydrophobicContact CG1-CZ 4.26Å; V171-F185 WeakPolarHBondContact O-CZ 3.44Å |
| 172 | G | 69 | Low | 73.7 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -54.6 | -30 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E169 A170 L174 V175 | E169-G172 PolarHBondContact O-N 2.88Å; E169-G172 VanDerWaalsContact O-N 3.1Å; A170-G172 PolarHBondContact O-N 3.4Å; G172-L174 VanDerWaalsContact C-N 3.32Å; G172-V175 WeakPolarHBondContact O-CG1 3.43Å |
| 173 | G | 68.1 | Low | 73 | Confident | 39 Ų | 39 | 67.1 Ų | 67.1 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -77.4 | -9.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A170 V171 | A170-G173 PolarHBondContact O-N 3.38Å; V171-G173 PolarHBondContact O-N 3.26Å; V171-G173 VanDerWaalsContact O-N 3.13Å |
| 174 | L | 70.9 | Confident | 72.9 | Confident | 97 Ų | 97 | 67.8 Ų | 67.8 | 51% | 0.508 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -98.6 | 4 | -178.2 | -61.1 | 176.4 | 0 | 0 | 0 | 113.5 | V171 G172 D176 K177 T178 | V171-L174 WeakPolarHBondContact O-CB 3.06Å; V171-L174 PolarHBondContact O-N 2.89Å; G172-L174 VanDerWaalsContact C-N 3.32Å; L174-D176 PolarHBondContact O-N 3.16Å; L174-K177 PolarHBondContact O-N 3.13Å; L174-T178 PolarHBondContact O-OG1 3.42Å |
| 175 | V | 69.8 | Low | 72.7 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -60.8 | -27.4 | -178.3 | 64.8 | 0 | 0 | 0 | 0 | 112.4 | G6 A7 G172 K177 T178 P181 F185 | G6-V175 VanDerWaalsContact C-CG1 3.48Å; A7-V175 HydrophobicContact CB-CG1 3.72Å; A7-V175 HydrophobicContact CB-CG2 3.97Å; A7-V175 VanDerWaalsContact N-CG1 3.33Å; G172-V175 WeakPolarHBondContact O-CG1 3.43Å; V175-K177 VanDerWaalsContact C-N 3.34Å; V175-T178 WeakPolarHBondContact O-CB 3.49Å; V175-T178 PolarHBondContact O-N 3.39Å; V175-P181 HydrophobicContact CG2-CB 3.7Å; V175-P181 WeakPolarHBondContact O-CB 3.38Å; V175-F185 HydrophobicContact CB-CD1 4.21Å; V175-F185 HydrophobicContact CB-CD2 4Å; V175-F185 HydrophobicContact CB-CE1 4.12Å; V175-F185 HydrophobicContact CB-CE2 3.93Å; V175-F185 HydrophobicContact CB-CG 4.14Å; V175-F185 HydrophobicContact CB-CZ 4Å; V175-F185 HydrophobicContact CG2-CB 4.08Å; V175-F185 HydrophobicContact CG2-CD1 3.77Å; V175-F185 HydrophobicContact CG2-CD2 4.01Å; V175-F185 HydrophobicContact CG2-CE1 4.15Å; V175-F185 HydrophobicContact CG2-CE2 4.39Å; V175-F185 HydrophobicContact CG2-CG 3.69Å; V175-F185 HydrophobicContact CG2-CZ 4.46Å |
| 176 | D | 67.4 | Low | 72.4 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 33% | 0.326 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -73 | -25 | 176.7 | 75.4 | -49.5 | 0 | 0 | 0 | 113.5 | R10 L174 T178 | R10-D176 HydrophobicContact CB-CB 3.74Å; L174-D176 PolarHBondContact O-N 3.16Å; D176-T178 VanDerWaalsContact C-N 3.27Å |
| 177 | K | 71 | Confident | 72.7 | Confident | 158 Ų | 158 | 69.3 Ų | 69.3 | 69% | 0.687 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -86.6 | 2.9 | 174.7 | -56 | -50.5 | -177.8 | -135.9 | 0 | 113.2 | L174 V175 | L174-K177 PolarHBondContact O-N 3.13Å; V175-K177 VanDerWaalsContact C-N 3.34Å |
| 178 | T | 73.1 | Confident | 73.2 | Confident | 42 Ų | 42 | 69.8 Ų | 69.8 | 26% | 0.258 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -96.5 | 127.1 | -179.8 | -54.8 | 0 | 0 | 0 | 0 | 110 | L174 V175 D176 N180 P181 N184 F185 | L174-T178 PolarHBondContact O-OG1 3.42Å; V175-T178 WeakPolarHBondContact O-CB 3.49Å; V175-T178 PolarHBondContact O-N 3.39Å; D176-T178 VanDerWaalsContact C-N 3.27Å; T178-N180 PolarHBondContact O-N 3.37Å; T178-P181 WeakPolarHBondContact O-CD 3.37Å; T178-N184 HydrophobicContact CG2-CB 4.01Å; T178-F185 HydrophobicContact CG2-CB 4.22Å |
| 179 | E | 75.7 | Confident | 73.5 | Confident | 159 Ų | 159 | 69.5 Ų | 69.5 | 74% | 0.743 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -64.5 | 133.2 | 171.2 | -65.7 | -177.3 | 177.7 | 0 | 0 | 110.7 | N184 | E179-N184 WeakPolarHBondContact O-CB 3.42Å; E179-N184 PolarHBondContact O-ND2 3.26Å |
| 180 | N | 74 | Confident | 73.9 | Confident | 119 Ų | 119 | 72.9 Ų | 72.9 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | S | Bend | trans | 46.9 | 60.1 | -176.4 | -66.3 | -52.7 | 0 | 0 | 0 | 112.2 | T178 E182 K183 N184 | T178-N180 PolarHBondContact O-N 3.37Å; N180-E182 PolarHBondContact O-N 3.22Å; N180-K183 PolarHBondContact O-N 2.97Å; N180-N184 PolarHBondContact O-N 2.78Å |
| 181 | P | 68.2 | Low | 74.8 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 20% | 0.195 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.6 | -32.4 | -169 | 23.4 | -31.9 | 0 | 0 | 0 | 111.9 | V175 T178 K183 F185 | V175-P181 HydrophobicContact CG2-CB 3.7Å; V175-P181 WeakPolarHBondContact O-CB 3.38Å; T178-P181 WeakPolarHBondContact O-CD 3.37Å; P181-K183 PolarHBondContact O-N 3.36Å; P181-F185 HydrophobicContact CB-CB 4.37Å; P181-F185 WeakPolarHBondContact O-CB 3.44Å; P181-F185 PolarHBondContact O-N 2.59Å |
| 182 | E | 65.9 | Low | 75.5 | Confident | 114 Ų | 114 | 75.2 Ų | 75.2 | 53% | 0.533 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -53 | -40.5 | 177.5 | -63.9 | -170.7 | 172.2 | 0 | 0 | 115 | N180 P369 F370 | N180-E182 PolarHBondContact O-N 3.22Å; E182-P369 WeakPolarHBondContact CG-O 3.5Å; E182-P369 VanDerWaalsContact OE1-O 3.12Å; E182-F370 HydrophobicContact CB-CD2 4.34Å; E182-F370 HydrophobicContact CG-CD2 4.37Å; E182-F370 WeakPolarHBondContact O-CE2 3.28Å |
| 183 | K | 71.9 | Confident | 76.3 | Confident | 141 Ų | 141 | 76.8 Ų | 76.8 | 61% | 0.613 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -99 | -47.9 | -178.2 | -67.6 | -179.7 | -179 | 175 | 0 | 110.5 | N180 P181 K187 | N180-K183 PolarHBondContact O-N 2.97Å; P181-K183 PolarHBondContact O-N 3.36Å; K183-K187 VanDerWaalsContact O-CB 3.23Å; K183-K187 WeakPolarHBondContact O-CB 3.48Å; K183-K187 WeakPolarHBondContact O-CD 3.42Å; K183-K187 WeakPolarHBondContact O-CG 3.42Å; K183-K187 PolarHBondContact O-N 3.06Å |
| 184 | N | 82.6 | Confident | 77.3 | Confident | 75 Ų | 75 | 79.2 Ų | 79.2 | 40% | 0.401 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -79.5 | -36.6 | -168.9 | -70.4 | -14.9 | 0 | 0 | 0 | 112.7 | T178 E179 N180 G188 | T178-N184 HydrophobicContact CG2-CB 4.01Å; E179-N184 WeakPolarHBondContact O-CB 3.42Å; E179-N184 PolarHBondContact O-ND2 3.26Å; N180-N184 PolarHBondContact O-N 2.78Å; N184-G188 WeakPolarHBondContact O-CA 3.14Å; N184-G188 PolarHBondContact O-N 2.8Å |
| 185 | F | 78.4 | Confident | 78.2 | Confident | 12 Ų | 12 | 78 Ų | 78 | 5% | 0.053 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69 | -46 | 177.3 | -166.3 | -102.5 | 0 | 0 | 0 | 111 | A3 V171 V175 T178 P181 G188 I189 | A3-F185 HydrophobicContact CB-CD1 3.91Å; A3-F185 HydrophobicContact CB-CE1 3.45Å; A3-F185 VanDerWaalsContact CB-CE1 3.45Å; V171-F185 HydrophobicContact CG1-CE2 4.04Å; V171-F185 HydrophobicContact CG1-CZ 4.26Å; V171-F185 WeakPolarHBondContact O-CZ 3.44Å; V175-F185 HydrophobicContact CB-CD1 4.21Å; V175-F185 HydrophobicContact CB-CD2 4Å; V175-F185 HydrophobicContact CB-CE1 4.12Å; V175-F185 HydrophobicContact CB-CE2 3.93Å; V175-F185 HydrophobicContact CB-CG 4.14Å; V175-F185 HydrophobicContact CB-CZ 4Å; V175-F185 HydrophobicContact CG2-CB 4.08Å; V175-F185 HydrophobicContact CG2-CD1 3.77Å; V175-F185 HydrophobicContact CG2-CD2 4.01Å; V175-F185 HydrophobicContact CG2-CE1 4.15Å; V175-F185 HydrophobicContact CG2-CE2 4.39Å; V175-F185 HydrophobicContact CG2-CG 3.69Å; V175-F185 HydrophobicContact CG2-CZ 4.46Å; T178-F185 HydrophobicContact CG2-CB 4.22Å; P181-F185 HydrophobicContact CB-CB 4.37Å; P181-F185 WeakPolarHBondContact O-CB 3.44Å; P181-F185 PolarHBondContact O-N 2.59Å; F185-G188 PolarHBondContact O-N 3.07Å; F185-I189 HydrophobicContact CD1-CD1 3.68Å; F185-I189 HydrophobicContact CD1-CG1 4.37Å; F185-I189 HydrophobicContact CE1-CD1 3.18Å; F185-I189 HydrophobicContact CE1-CG1 4.12Å; F185-I189 HydrophobicContact CZ-CD1 3.72Å; F185-I189 HydrophobicContact CZ-CG1 4.4Å; F185-I189 WeakPolarHBondContact O-CG1 3.26Å; F185-I189 PolarHBondContact O-N 3.27Å |
| 186 | A | 73.8 | Confident | 79.1 | Confident | 21 Ų | 21 | 80.7 Ų | 80.7 | 17% | 0.174 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G188 I189 V190 F370 I372 | A186-G188 VanDerWaalsContact C-N 3.31Å; A186-G188 PolarHBondContact O-N 2.96Å; A186-I189 PolarHBondContact O-N 2.86Å; A186-V190 WeakPolarHBondContact O-CG2 3.23Å; A186-V190 PolarHBondContact O-N 2.78Å; A186-F370 HydrophobicContact CB-CE2 3.86Å; A186-F370 HydrophobicContact CB-CZ 3.88Å; A186-I372 HydrophobicContact CB-CD1 4.34Å |
| 187 | K | 81.7 | Confident | 80.1 | Confident | 138 Ų | 138 | 80.1 Ų | 80.1 | 60% | 0.6 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 175.9 | -75.5 | 174.5 | -178.5 | -174.4 | 0 | 111.5 | K183 V190 F191 | K183-K187 VanDerWaalsContact O-CB 3.23Å; K183-K187 WeakPolarHBondContact O-CB 3.48Å; K183-K187 WeakPolarHBondContact O-CD 3.42Å; K183-K187 WeakPolarHBondContact O-CG 3.42Å; K183-K187 PolarHBondContact O-N 3.06Å; K187-V190 PolarHBondContact O-N 3.36Å; K187-F191 WeakPolarHBondContact O-CB 3.42Å; K187-F191 PolarHBondContact O-N 2.85Å |
| 188 | G | 84.5 | Confident | 81.1 | Confident | 38 Ų | 38 | 77.6 Ų | 77.6 | 39% | 0.392 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N184 F185 A186 A192 | N184-G188 WeakPolarHBondContact O-CA 3.14Å; N184-G188 PolarHBondContact O-N 2.8Å; F185-G188 PolarHBondContact O-N 3.07Å; A186-G188 VanDerWaalsContact C-N 3.31Å; A186-G188 PolarHBondContact O-N 2.96Å; G188-A192 WeakPolarHBondContact O-CB 3.3Å; G188-A192 PolarHBondContact O-N 3.24Å |
| 189 | I | 81.3 | Confident | 82 | Confident | 60 Ų | 60 | 77.4 Ų | 77.4 | 31% | 0.308 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 176.3 | -71.2 | -179.8 | 0 | 0 | 0 | 111.5 | A3 F185 A186 A192 A193 | A3-I189 HydrophobicContact CB-CD1 4.19Å; F185-I189 HydrophobicContact CD1-CD1 3.68Å; F185-I189 HydrophobicContact CD1-CG1 4.37Å; F185-I189 HydrophobicContact CE1-CD1 3.18Å; F185-I189 HydrophobicContact CE1-CG1 4.12Å; F185-I189 HydrophobicContact CZ-CD1 3.72Å; F185-I189 HydrophobicContact CZ-CG1 4.4Å; F185-I189 WeakPolarHBondContact O-CG1 3.26Å; F185-I189 PolarHBondContact O-N 3.27Å; A186-I189 PolarHBondContact O-N 2.86Å; I189-A192 PolarHBondContact O-N 3.4Å; I189-A193 WeakPolarHBondContact O-CB 3.24Å; I189-A193 PolarHBondContact O-N 3.18Å |
| 190 | V | 81.8 | Confident | 82.7 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 53% | 0.527 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | -178.9 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | A186 K187 A193 I194 | A186-V190 WeakPolarHBondContact O-CG2 3.23Å; A186-V190 PolarHBondContact O-N 2.78Å; K187-V190 PolarHBondContact O-N 3.36Å; V190-A193 PolarHBondContact O-N 2.88Å; V190-I194 HydrophobicContact CG1-CD1 3.87Å; V190-I194 VanDerWaalsContact O-CG1 3.31Å; V190-I194 WeakPolarHBondContact O-CG1 3.19Å; V190-I194 PolarHBondContact O-N 3.05Å |
| 191 | F | 88.8 | Confident | 83.5 | Confident | 143 Ų | 143 | 73.4 Ų | 73.4 | 63% | 0.627 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.7 | -47.6 | 175.6 | -179 | -100.2 | 0 | 0 | 0 | 111.3 | K187 A193 I194 V195 | K187-F191 WeakPolarHBondContact O-CB 3.42Å; K187-F191 PolarHBondContact O-N 2.85Å; F191-A193 PolarHBondContact O-N 2.85Å; F191-I194 PolarHBondContact O-N 3.31Å; F191-V195 HydrophobicContact CD1-CG2 4.13Å; F191-V195 HydrophobicContact CD2-CG2 4.36Å; F191-V195 HydrophobicContact CE1-CG2 3.78Å; F191-V195 HydrophobicContact CE2-CG2 4.02Å; F191-V195 HydrophobicContact CG-CG2 4.41Å; F191-V195 HydrophobicContact CZ-CG2 3.72Å; F191-V195 WeakPolarHBondContact O-CB 3.34Å; F191-V195 VanDerWaalsContact O-CG2 3.28Å; F191-V195 WeakPolarHBondContact O-CG2 3.29Å; F191-V195 PolarHBondContact O-N 3.37Å |
| 192 | A | 87.3 | Confident | 84.7 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 32% | 0.322 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G188 I189 I194 V195 I196 | G188-A192 WeakPolarHBondContact O-CB 3.3Å; G188-A192 PolarHBondContact O-N 3.24Å; I189-A192 PolarHBondContact O-N 3.4Å; A192-I194 PolarHBondContact O-N 3.02Å; A192-V195 PolarHBondContact O-N 2.65Å; A192-I196 VanDerWaalsContact O-CB 3.28Å; A192-I196 WeakPolarHBondContact O-CB 3.46Å; A192-I196 WeakPolarHBondContact O-CD1 3.26Å; A192-I196 WeakPolarHBondContact O-CG1 3.1Å; A192-I196 PolarHBondContact O-N 3.45Å |
| 193 | A | 85.2 | Confident | 86 | Confident | 37 Ų | 37 | 71 Ų | 71 | 31% | 0.306 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I189 V190 F191 S197 | I189-A193 WeakPolarHBondContact O-CB 3.24Å; I189-A193 PolarHBondContact O-N 3.18Å; V190-A193 PolarHBondContact O-N 2.88Å; F191-A193 PolarHBondContact O-N 2.85Å; A193-S197 VanDerWaalsContact O-CB 3.28Å; A193-S197 WeakPolarHBondContact O-CB 3.47Å; A193-S197 PolarHBondContact O-N 3.28Å; A193-S197 PolarHBondContact O-OG 3.47Å |
| 194 | I | 89.6 | Confident | 87 | Confident | 90 Ų | 90 | 69.6 Ų | 69.6 | 46% | 0.462 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.5 | -50.3 | 176.6 | -69.1 | 167.9 | 0 | 0 | 0 | 110.5 | V190 F191 A192 I196 S197 I198 | V190-I194 HydrophobicContact CG1-CD1 3.87Å; V190-I194 VanDerWaalsContact O-CG1 3.31Å; V190-I194 WeakPolarHBondContact O-CG1 3.19Å; V190-I194 PolarHBondContact O-N 3.05Å; F191-I194 PolarHBondContact O-N 3.31Å; A192-I194 PolarHBondContact O-N 3.02Å; I194-I196 VanDerWaalsContact C-N 3.34Å; I194-I196 PolarHBondContact O-N 3.49Å; I194-S197 PolarHBondContact O-N 2.85Å; I194-I198 HydrophobicContact CG2-CD1 3.65Å; I194-I198 HydrophobicContact CG2-CG1 4.41Å; I194-I198 WeakPolarHBondContact O-CB 3.43Å; I194-I198 WeakPolarHBondContact O-CG1 3.16Å; I194-I198 PolarHBondContact O-N 3.28Å |
| 195 | V | 90.9 | Very high | 87.5 | Confident | 73 Ų | 73 | 69.9 Ų | 69.9 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | -179.1 | 170.3 | 0 | 0 | 0 | 0 | 111 | F191 A192 G199 | F191-V195 HydrophobicContact CD1-CG2 4.13Å; F191-V195 HydrophobicContact CD2-CG2 4.36Å; F191-V195 HydrophobicContact CE1-CG2 3.78Å; F191-V195 HydrophobicContact CE2-CG2 4.02Å; F191-V195 HydrophobicContact CG-CG2 4.41Å; F191-V195 HydrophobicContact CZ-CG2 3.72Å; F191-V195 WeakPolarHBondContact O-CB 3.34Å; F191-V195 VanDerWaalsContact O-CG2 3.28Å; F191-V195 WeakPolarHBondContact O-CG2 3.29Å; F191-V195 PolarHBondContact O-N 3.37Å; A192-V195 PolarHBondContact O-N 2.65Å; V195-G199 PolarHBondContact O-N 3.05Å |
| 196 | I | 88 | Confident | 88.4 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 30% | 0.297 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 178.2 | -68.2 | 167.1 | 0 | 0 | 0 | 110.8 | Y165 A192 I194 I198 G199 Y200 | Y165-I196 HydrophobicContact CD1-CG2 4.06Å; Y165-I196 HydrophobicContact CE1-CB 3.98Å; Y165-I196 HydrophobicContact CE1-CG2 3.42Å; Y165-I196 VanDerWaalsContact CE1-CG2 3.42Å; A192-I196 VanDerWaalsContact O-CB 3.28Å; A192-I196 WeakPolarHBondContact O-CB 3.46Å; A192-I196 WeakPolarHBondContact O-CD1 3.26Å; A192-I196 WeakPolarHBondContact O-CG1 3.1Å; A192-I196 PolarHBondContact O-N 3.45Å; I194-I196 VanDerWaalsContact C-N 3.34Å; I194-I196 PolarHBondContact O-N 3.49Å; I196-I198 PolarHBondContact O-N 2.81Å; I196-G199 PolarHBondContact O-N 2.65Å; I196-Y200 HydrophobicContact CG2-CD2 3.45Å; I196-Y200 VanDerWaalsContact CG2-CD2 3.45Å; I196-Y200 HydrophobicContact CG2-CE2 3.37Å; I196-Y200 VanDerWaalsContact O-CD2 3.3Å; I196-Y200 WeakPolarHBondContact O-CD2 3.38Å; I196-Y200 PolarHBondContact O-N 2.85Å |
| 197 | S | 88.5 | Confident | 89.5 | Confident | 48 Ų | 48 | 71 Ų | 71 | 34% | 0.336 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 178.4 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | Y165 A193 I194 S201 | Y165-S197 VanDerWaalsContact OH-CA 3.26Å; Y165-S197 WeakPolarHBondContact OH-CA 3.19Å; Y165-S197 PolarHBondContact OH-N 3.38Å; Y165-S197 PolarHBondContact OH-OG 3.21Å; A193-S197 VanDerWaalsContact O-CB 3.28Å; A193-S197 WeakPolarHBondContact O-CB 3.47Å; A193-S197 PolarHBondContact O-N 3.28Å; A193-S197 PolarHBondContact O-OG 3.47Å; I194-S197 PolarHBondContact O-N 2.85Å; S197-S201 WeakPolarHBondContact O-CB 3.22Å; S197-S201 PolarHBondContact O-N 3.43Å; S197-S201 PolarHBondContact O-OG 2.95Å |
| 198 | I | 92.2 | Very high | 90.2 | Very high | 106 Ų | 106 | 65.1 Ų | 65.1 | 54% | 0.544 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 177.7 | -67.4 | 171.8 | 0 | 0 | 0 | 109.6 | I194 I196 Y200 S201 L202 | I194-I198 HydrophobicContact CG2-CD1 3.65Å; I194-I198 HydrophobicContact CG2-CG1 4.41Å; I194-I198 WeakPolarHBondContact O-CB 3.43Å; I194-I198 WeakPolarHBondContact O-CG1 3.16Å; I194-I198 PolarHBondContact O-N 3.28Å; I196-I198 PolarHBondContact O-N 2.81Å; I198-Y200 PolarHBondContact O-N 3.42Å; I198-S201 PolarHBondContact O-N 3.49Å; I198-L202 WeakPolarHBondContact O-CB 3.29Å; I198-L202 PolarHBondContact O-N 3.48Å |
| 199 | G | 91.5 | Very high | 90.8 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.3 | -48.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V195 I196 A203 | V195-G199 PolarHBondContact O-N 3.05Å; I196-G199 PolarHBondContact O-N 2.65Å; G199-A203 VanDerWaalsContact O-CB 3.26Å; G199-A203 WeakPolarHBondContact O-CB 3.45Å; G199-A203 PolarHBondContact O-N 3.43Å |
| 200 | Y | 89.8 | Confident | 91.5 | Very high | 114 Ų | 114 | 60.6 Ų | 60.6 | 45% | 0.447 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 175.8 | -83.3 | -60.6 | 0 | 0 | 0 | 112.5 | A164 I196 I198 L202 A203 I204 | A164-Y200 HydrophobicContact CB-CE2 3.96Å; I196-Y200 HydrophobicContact CG2-CD2 3.45Å; I196-Y200 VanDerWaalsContact CG2-CD2 3.45Å; I196-Y200 HydrophobicContact CG2-CE2 3.37Å; I196-Y200 VanDerWaalsContact O-CD2 3.3Å; I196-Y200 WeakPolarHBondContact O-CD2 3.38Å; I196-Y200 PolarHBondContact O-N 2.85Å; I198-Y200 PolarHBondContact O-N 3.42Å; Y200-L202 VanDerWaalsContact C-N 3.33Å; Y200-L202 PolarHBondContact O-N 3.43Å; Y200-A203 PolarHBondContact O-N 2.91Å; Y200-I204 WeakPolarHBondContact O-CB 3.41Å; Y200-I204 VanDerWaalsContact O-CG1 3.25Å; Y200-I204 WeakPolarHBondContact O-CG1 3.38Å; Y200-I204 PolarHBondContact O-N 2.87Å |
| 201 | S | 91.1 | Very high | 92.2 | Very high | 79 Ų | 79 | 56.8 Ų | 56.8 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.8 | -43.4 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | S197 I198 F205 | S197-S201 WeakPolarHBondContact O-CB 3.22Å; S197-S201 PolarHBondContact O-N 3.43Å; S197-S201 PolarHBondContact O-OG 2.95Å; I198-S201 PolarHBondContact O-N 3.49Å; S201-F205 WeakPolarHBondContact O-CB 3.32Å; S201-F205 PolarHBondContact O-N 3.35Å |
| 202 | L | 93.9 | Very high | 92.6 | Very high | 76 Ų | 76 | 51.1 Ų | 51.1 | 40% | 0.398 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 175.7 | -179.6 | 61.9 | 0 | 0 | 0 | 111.2 | L120 I198 Y200 I204 F205 L206 | L120-L202 HydrophobicContact CD1-CD2 4.09Å; I198-L202 WeakPolarHBondContact O-CB 3.29Å; I198-L202 PolarHBondContact O-N 3.48Å; Y200-L202 VanDerWaalsContact C-N 3.33Å; Y200-L202 PolarHBondContact O-N 3.43Å; L202-I204 PolarHBondContact O-N 3.31Å; L202-F205 PolarHBondContact O-N 3.15Å; L202-L206 HydrophobicContact CD1-CD1 3.98Å; L202-L206 HydrophobicContact CD1-CD2 4.46Å; L202-L206 HydrophobicContact CD1-CG 3.98Å; L202-L206 HydrophobicContact CG-CD1 3.85Å; L202-L206 HydrophobicContact CG-CG 4.24Å; L202-L206 WeakPolarHBondContact O-CB 3.3Å; L202-L206 WeakPolarHBondContact O-CG 3.34Å; L202-L206 PolarHBondContact O-N 3.42Å |
| 203 | A | 94.1 | Very high | 92.9 | Very high | 19 Ų | 19 | 52 Ų | 52 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L119 G199 Y200 F205 L206 W207 | L119-A203 HydrophobicContact CD2-CB 3.88Å; G199-A203 VanDerWaalsContact O-CB 3.26Å; G199-A203 WeakPolarHBondContact O-CB 3.45Å; G199-A203 PolarHBondContact O-N 3.43Å; Y200-A203 PolarHBondContact O-N 2.91Å; A203-F205 VanDerWaalsContact C-N 3.34Å; A203-F205 PolarHBondContact O-N 3.28Å; A203-L206 PolarHBondContact O-N 2.88Å; A203-W207 PolarHBondContact O-N 2.72Å |
| 204 | I | 91.7 | Very high | 93.2 | Very high | 111 Ų | 111 | 56.4 Ų | 56.4 | 57% | 0.569 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59 | -46.2 | 175.6 | -69.1 | 165.8 | 0 | 0 | 0 | 110.5 | Y200 L202 W207 | Y200-I204 WeakPolarHBondContact O-CB 3.41Å; Y200-I204 VanDerWaalsContact O-CG1 3.25Å; Y200-I204 WeakPolarHBondContact O-CG1 3.38Å; Y200-I204 PolarHBondContact O-N 2.87Å; L202-I204 PolarHBondContact O-N 3.31Å; I204-W207 PolarHBondContact O-N 3.24Å |
| 205 | F | 94 | Very high | 93.3 | Very high | 80 Ų | 80 | 59.8 Ų | 59.8 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 177.2 | -179.7 | -108.1 | 0 | 0 | 0 | 112.2 | F134 I138 S201 L202 A203 W207 G208 | F134-F205 HydrophobicContact CE1-CD1 4.15Å; F134-F205 HydrophobicContact CE1-CD2 4.38Å; F134-F205 AromaticContact CE1-CE1 3.65Å; F134-F205 HydrophobicContact CE1-CE1 3.65Å; F134-F205 AromaticContact CE1-CE2 3.89Å; F134-F205 HydrophobicContact CE1-CE2 3.89Å; F134-F205 HydrophobicContact CE1-CG 4.5Å; F134-F205 AromaticContact CE1-CZ 3.5Å; F134-F205 HydrophobicContact CE1-CZ 3.5Å; F134-F205 VanDerWaalsContact CE1-CZ 3.5Å; F134-F205 HydrophobicContact CE2-CZ 4.16Å; F134-F205 HydrophobicContact CZ-CD1 4.29Å; F134-F205 AromaticContact CZ-CE1 3.39Å; F134-F205 HydrophobicContact CZ-CE1 3.39Å; F134-F205 HydrophobicContact CZ-CE2 4.09Å; F134-F205 AromaticContact CZ-CZ 3.26Å; F134-F205 HydrophobicContact CZ-CZ 3.26Å; I138-F205 HydrophobicContact CD1-CE2 3.81Å; I138-F205 HydrophobicContact CD1-CZ 3.93Å; I138-F205 HydrophobicContact CG1-CE2 4.12Å; I138-F205 HydrophobicContact CG2-CE2 4.31Å; S201-F205 WeakPolarHBondContact O-CB 3.32Å; S201-F205 PolarHBondContact O-N 3.35Å; L202-F205 PolarHBondContact O-N 3.15Å; A203-F205 VanDerWaalsContact C-N 3.34Å; A203-F205 PolarHBondContact O-N 3.28Å; F205-W207 VanDerWaalsContact C-N 3.26Å; F205-W207 PolarHBondContact O-N 2.94Å; F205-G208 PolarHBondContact O-N 3.04Å |
| 206 | L | 96.7 | Very high | 93.5 | Very high | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.6 | -21 | 179.6 | -70.8 | 177.7 | 0 | 0 | 0 | 113.7 | L119 L120 S123 L127 L202 A203 G208 V209 | L119-L206 HydrophobicContact CD1-CB 4.5Å; L120-L206 HydrophobicContact CD1-CD1 3.6Å; S123-L206 PolarHBondContact OG-O 3.01Å; L127-L206 HydrophobicContact CD1-CD2 4.5Å; L202-L206 HydrophobicContact CD1-CD1 3.98Å; L202-L206 HydrophobicContact CD1-CD2 4.46Å; L202-L206 HydrophobicContact CD1-CG 3.98Å; L202-L206 HydrophobicContact CG-CD1 3.85Å; L202-L206 HydrophobicContact CG-CG 4.24Å; L202-L206 WeakPolarHBondContact O-CB 3.3Å; L202-L206 WeakPolarHBondContact O-CG 3.34Å; L202-L206 PolarHBondContact O-N 3.42Å; A203-L206 PolarHBondContact O-N 2.88Å; L206-G208 VanDerWaalsContact C-N 3.26Å; L206-G208 PolarHBondContact O-N 2.86Å; L206-V209 HydrophobicContact CD2-CG2 4.21Å; L206-V209 VanDerWaalsContact O-CB 3.26Å; L206-V209 WeakPolarHBondContact O-CB 3.49Å; L206-V209 WeakPolarHBondContact O-CG2 3.31Å; L206-V209 PolarHBondContact O-N 3.43Å |
| 207 | W | 96.3 | Very high | 93.8 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.7 | -32.5 | 169.6 | -77.2 | 122.8 | 0 | 0 | 0 | 112.4 | L119 A203 I204 F205 V209 S210 T211 L231 M232 L235 | L119-W207 HydrophobicContact CD1-CD2 3.9Å; L119-W207 HydrophobicContact CD1-CE3 3.84Å; L119-W207 HydrophobicContact CD1-CH2 3.92Å; L119-W207 HydrophobicContact CD1-CZ2 3.97Å; L119-W207 HydrophobicContact CD1-CZ3 3.83Å; L119-W207 HydrophobicContact CD2-CD2 4.43Å; L119-W207 HydrophobicContact CD2-CZ2 3.94Å; L119-W207 HydrophobicContact CG-CZ2 4.5Å; A203-W207 PolarHBondContact O-N 2.72Å; I204-W207 PolarHBondContact O-N 3.24Å; F205-W207 VanDerWaalsContact C-N 3.26Å; F205-W207 PolarHBondContact O-N 2.94Å; W207-V209 PolarHBondContact O-N 3.47Å; W207-S210 PolarHBondContact O-N 3.08Å; W207-T211 WeakPolarHBondContact O-CB 3.4Å; W207-T211 PolarHBondContact O-N 2.96Å; W207-L231 HydrophobicContact CB-CD2 4.48Å; W207-L231 HydrophobicContact CD2-CB 4.12Å; W207-L231 HydrophobicContact CD2-CD1 4.01Å; W207-L231 HydrophobicContact CD2-CD2 4.12Å; W207-L231 HydrophobicContact CD2-CG 4.33Å; W207-L231 HydrophobicContact CE3-CB 3.73Å; W207-L231 HydrophobicContact CE3-CD1 4.44Å; W207-L231 HydrophobicContact CE3-CD2 3.97Å; W207-L231 HydrophobicContact CE3-CG 4.27Å; W207-L231 HydrophobicContact CG-CD1 4.27Å; W207-L231 HydrophobicContact CG-CD2 4.37Å; W207-L231 HydrophobicContact CH2-CB 3.61Å; W207-L231 HydrophobicContact CZ2-CB 4.02Å; W207-L231 HydrophobicContact CZ2-CD1 4.34Å; W207-L231 VanDerWaalsContact CZ3-C 3.41Å; W207-L231 HydrophobicContact CZ3-CB 3.49Å; W207-L231 VanDerWaalsContact CZ3-CB 3.49Å; W207-L231 HydrophobicContact CZ3-CG 4.49Å; W207-L231 WeakPolarHBondContact CZ3-O 3.49Å; W207-M232 HydrophobicContact CH2-CG 3.87Å; W207-M232 HydrophobicContact CH2-SD 3.54Å; W207-M232 VanDerWaalsContact CH2-SD 3.54Å; W207-M232 HydrophobicContact CZ2-SD 4.38Å; W207-M232 HydrophobicContact CZ3-SD 4.39Å; W207-L235 HydrophobicContact CZ3-CB 4.07Å; W207-L235 HydrophobicContact CZ3-CD2 4.4Å |
| 208 | G | 96.1 | Very high | 93.9 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -18.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | A135 Q136 F205 L206 S210 | A135-G208 PolarHBondContact N-O 3.21Å; Q136-G208 PolarHBondContact N-O 3.04Å; F205-G208 PolarHBondContact O-N 3.04Å; L206-G208 VanDerWaalsContact C-N 3.26Å; L206-G208 PolarHBondContact O-N 2.86Å; G208-S210 VanDerWaalsContact C-N 3.31Å; G208-S210 PolarHBondContact O-N 3.34Å |
| 209 | V | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.6 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | I126 L127 F134 A135 L206 W207 | I126-V209 HydrophobicContact CB-CG1 3.78Å; I126-V209 HydrophobicContact CG2-CG1 3.5Å; I126-V209 VanDerWaalsContact CG2-CG1 3.5Å; L127-V209 HydrophobicContact CD1-CG2 3.72Å; L127-V209 HydrophobicContact CD2-CG1 4.06Å; L127-V209 HydrophobicContact CD2-CG2 3.87Å; L127-V209 HydrophobicContact CG-CB 4.38Å; L127-V209 HydrophobicContact CG-CG1 3.76Å; L127-V209 HydrophobicContact CG-CG2 3.68Å; F134-V209 HydrophobicContact CD1-CG2 3.83Å; F134-V209 HydrophobicContact CE1-CG2 3.49Å; F134-V209 VanDerWaalsContact CE1-CG2 3.49Å; F134-V209 HydrophobicContact CZ-CG2 3.99Å; A135-V209 WeakPolarHBondContact CB-O 3.48Å; A135-V209 PolarHBondContact N-O 3.29Å; L206-V209 HydrophobicContact CD2-CG2 4.21Å; L206-V209 VanDerWaalsContact O-CB 3.26Å; L206-V209 WeakPolarHBondContact O-CB 3.49Å; L206-V209 WeakPolarHBondContact O-CG2 3.31Å; L206-V209 PolarHBondContact O-N 3.43Å; W207-V209 PolarHBondContact O-N 3.47Å |
| 210 | S | 97.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -115.2 | -8.5 | -169.7 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | W207 G208 S234 T238 | W207-S210 PolarHBondContact O-N 3.08Å; G208-S210 VanDerWaalsContact C-N 3.31Å; G208-S210 PolarHBondContact O-N 3.34Å; S210-S234 PolarHBondContact O-OG 3.2Å; S210-T238 PolarHBondContact O-OG1 3.05Å; S210-T238 VanDerWaalsContact O-OG1 3.06Å |
| 211 | T | 96.8 | Very high | 92.9 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | trans | -134.4 | 119.5 | -171.9 | -53.8 | 0 | 0 | 0 | 0 | 110.4 | Q136 W207 V216 L217 L231 S234 | Q136-T211 WeakPolarHBondContact CB-O 3.38Å; W207-T211 WeakPolarHBondContact O-CB 3.4Å; W207-T211 PolarHBondContact O-N 2.96Å; T211-V216 HydrophobicContact CG2-CB 3.74Å; T211-V216 HydrophobicContact CG2-CG1 3.91Å; T211-V216 HydrophobicContact CG2-CG2 4.13Å; T211-L217 HydrophobicContact CG2-CD1 4.07Å; T211-L217 HydrophobicContact CG2-CD2 4.22Å; T211-L217 HydrophobicContact CG2-CG 3.88Å; T211-L231 HydrophobicContact CG2-CD2 3.68Å; T211-L231 WeakPolarHBondContact OG1-CD2 3.38Å; T211-S234 WeakPolarHBondContact OG1-CB 3.36Å; T211-S234 PolarHBondContact OG1-OG 3.25Å | ||
| 212 | N | 95.4 | Very high | 93 | Very high | 25 Ų | 25 | 50.9 Ų | 50.9 | 13% | 0.134 | 28% | 0.281 | C | S | . | . | trans | -89.9 | 131.3 | 163.4 | -177.3 | -82 | 0 | 0 | 0 | 109.5 | A135 Q214 Q215 V216 | A135-N212 WeakPolarHBondContact O-CB 3.25Å; A135-N212 PolarHBondContact O-ND2 3.33Å; N212-Q214 PolarHBondContact O-N 3.13Å; N212-Q214 PolarHBondContact OD1-N 3.16Å; N212-Q215 HydrophobicContact CB-CB 4.13Å; N212-Q215 HydrophobicContact CB-CG 4.22Å; N212-Q215 PolarHBondContact O-N 2.93Å; N212-Q215 PolarHBondContact OD1-N 3.35Å; N212-Q215 VanDerWaalsContact OD1-N 3.14Å; N212-V216 WeakPolarHBondContact O-CB 3.23Å; N212-V216 PolarHBondContact O-N 2.83Å | ||
| 213 | W | 93.9 | Very high | 92.8 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 21% | 0.212 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -60.1 | -49.1 | -176.1 | -170.1 | -73.5 | 0 | 0 | 0 | 111.9 | P144 N145 Q215 L217 S218 | P144-W213 HydrophobicContact CB-CB 3.89Å; P144-W213 HydrophobicContact CB-CD2 4.4Å; P144-W213 HydrophobicContact CB-CE3 4.25Å; P144-W213 HydrophobicContact CB-CG 4.25Å; P144-W213 HydrophobicContact CG-CE3 3.94Å; P144-W213 VanDerWaalsContact O-CG 3.27Å; N145-W213 HydrophobicContact CB-CD2 4.16Å; N145-W213 HydrophobicContact CB-CE3 4.27Å; N145-W213 HydrophobicContact CB-CH2 3.53Å; N145-W213 HydrophobicContact CB-CZ2 3.35Å; N145-W213 HydrophobicContact CB-CZ3 3.98Å; N145-W213 WeakPolarHBondContact ND2-CH2 3.1Å; N145-W213 WeakPolarHBondContact ND2-CZ2 3.27Å; W213-Q215 VanDerWaalsContact C-N 3.35Å; W213-Q215 PolarHBondContact O-N 2.92Å; W213-L217 HydrophobicContact CD2-CB 4.03Å; W213-L217 HydrophobicContact CD2-CD1 3.84Å; W213-L217 HydrophobicContact CE3-CD1 3.47Å; W213-L217 VanDerWaalsContact CE3-CD1 3.47Å; W213-L217 HydrophobicContact CG-CB 4.18Å; W213-L217 HydrophobicContact CG-CD1 4.43Å; W213-L217 HydrophobicContact CH2-CD1 4.23Å; W213-L217 HydrophobicContact CZ2-CB 4.41Å; W213-L217 HydrophobicContact CZ3-CD1 3.7Å; W213-L217 CarbonylContact O-C 3.56Å; W213-L217 WeakPolarHBondContact O-CA 3.37Å; W213-L217 WeakPolarHBondContact O-CB 3.43Å; W213-L217 PolarHBondContact O-N 2.97Å; W213-S218 PolarHBondContact O-N 2.89Å; W213-S218 PolarHBondContact O-OG 3.38Å |
| 214 | Q | 92.8 | Very high | 92.7 | Very high | 131 Ų | 131 | 49.8 Ų | 49.8 | 61% | 0.612 | 27% | 0.272 | S | S | * | . | I | π-helix | trans | -67.5 | -36.4 | -174.9 | -174.8 | 59.9 | 10.9 | 0 | 0 | 112.6 | N212 S218 | N212-Q214 PolarHBondContact O-N 3.13Å; N212-Q214 PolarHBondContact OD1-N 3.16Å; Q214-S218 PolarHBondContact OE1-OG 2.98Å |
| 215 | Q | 92.2 | Very high | 92.7 | Very high | 161 Ų | 161 | 44.8 Ų | 44.8 | 75% | 0.752 | 25% | 0.248 | S | C | * | . | I | π-helix | trans | -80 | -33.9 | -178.2 | -63.4 | 175.3 | -6.4 | 0 | 0 | 112.8 | N212 W213 | N212-Q215 HydrophobicContact CB-CB 4.13Å; N212-Q215 HydrophobicContact CB-CG 4.22Å; N212-Q215 PolarHBondContact O-N 2.93Å; N212-Q215 PolarHBondContact OD1-N 3.35Å; N212-Q215 VanDerWaalsContact OD1-N 3.14Å; W213-Q215 VanDerWaalsContact C-N 3.35Å; W213-Q215 PolarHBondContact O-N 2.92Å |
| 216 | V | 94 | Very high | 92.7 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 22% | 0.218 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -111 | -45.3 | -169.4 | -176 | 0 | 0 | 0 | 0 | 112.4 | T211 N212 V230 | T211-V216 HydrophobicContact CG2-CB 3.74Å; T211-V216 HydrophobicContact CG2-CG1 3.91Å; T211-V216 HydrophobicContact CG2-CG2 4.13Å; N212-V216 WeakPolarHBondContact O-CB 3.23Å; N212-V216 PolarHBondContact O-N 2.83Å; V216-V230 HydrophobicContact CG1-CG1 3.66Å |
| 217 | L | 93.9 | Very high | 92.6 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -95.9 | -21.7 | -169.4 | -57.9 | -179.4 | 0 | 0 | 0 | 113.8 | T211 W213 N219 V222 I227 V230 L231 | T211-L217 HydrophobicContact CG2-CD1 4.07Å; T211-L217 HydrophobicContact CG2-CD2 4.22Å; T211-L217 HydrophobicContact CG2-CG 3.88Å; W213-L217 HydrophobicContact CD2-CB 4.03Å; W213-L217 HydrophobicContact CD2-CD1 3.84Å; W213-L217 HydrophobicContact CE3-CD1 3.47Å; W213-L217 VanDerWaalsContact CE3-CD1 3.47Å; W213-L217 HydrophobicContact CG-CB 4.18Å; W213-L217 HydrophobicContact CG-CD1 4.43Å; W213-L217 HydrophobicContact CH2-CD1 4.23Å; W213-L217 HydrophobicContact CZ2-CB 4.41Å; W213-L217 HydrophobicContact CZ3-CD1 3.7Å; W213-L217 CarbonylContact O-C 3.56Å; W213-L217 WeakPolarHBondContact O-CA 3.37Å; W213-L217 WeakPolarHBondContact O-CB 3.43Å; W213-L217 PolarHBondContact O-N 2.97Å; L217-N219 PolarHBondContact O-N 3.48Å; L217-V222 HydrophobicContact CD2-CG1 4.11Å; L217-I227 HydrophobicContact CD1-CD1 4.46Å; L217-I227 HydrophobicContact CD2-CD1 4.32Å; L217-I227 HydrophobicContact CD2-CG1 4.07Å; L217-V230 HydrophobicContact CD2-CG1 4.2Å; L217-L231 HydrophobicContact CD1-CD2 4.31Å; L217-L231 HydrophobicContact CD2-CD2 4.08Å; L217-L231 HydrophobicContact CD2-CG 4.4Å |
| 218 | S | 90.4 | Very high | 92.6 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -74.3 | -2.4 | 175.2 | -65.3 | 0 | 0 | 0 | 0 | 114 | W213 Q214 G220 | W213-S218 PolarHBondContact O-N 2.89Å; W213-S218 PolarHBondContact O-OG 3.38Å; Q214-S218 PolarHBondContact OE1-OG 2.98Å; S218-G220 PolarHBondContact O-N 2.84Å |
| 219 | N | 85 | Confident | 92.6 | Very high | 95 Ų | 95 | 42.6 Ų | 42.6 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -66.4 | 130.4 | 173.6 | 179 | -15.2 | 0 | 0 | 0 | 110.1 | L217 S221 V222 | L217-N219 PolarHBondContact O-N 3.48Å; N219-S221 PolarHBondContact ND2-OG 3.38Å; N219-S221 PolarHBondContact O-N 3.3Å; N219-S221 PolarHBondContact OD1-N 3.27Å; N219-S221 PolarHBondContact OD1-OG 3.38Å; N219-V222 HydrophobicContact CB-CG2 4.08Å; N219-V222 WeakPolarHBondContact O-CB 3.12Å; N219-V222 PolarHBondContact O-N 3.35Å |
| 220 | G | 82.2 | Confident | 92.6 | Very high | 66 Ų | 66 | 44.2 Ų | 44.2 | 68% | 0.68 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -16.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S218 V222 | S218-G220 PolarHBondContact O-N 2.84Å; G220-V222 VanDerWaalsContact C-N 3.33Å |
| 221 | S | 86.7 | Confident | 92.6 | Very high | 43 Ų | 43 | 45 Ų | 45 | 30% | 0.301 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -14.5 | 171.6 | 68.3 | 0 | 0 | 0 | 0 | 113.5 | Q66 N219 N226 | Q66-S221 PolarHBondContact NE2-O 3.11Å; N219-S221 PolarHBondContact ND2-OG 3.38Å; N219-S221 PolarHBondContact O-N 3.3Å; N219-S221 PolarHBondContact OD1-N 3.27Å; N219-S221 PolarHBondContact OD1-OG 3.38Å; S221-N226 PolarHBondContact O-ND2 3.46Å |
| 222 | V | 91.8 | Very high | 92.6 | Very high | 19 Ų | 19 | 45 Ų | 45 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | trans | -83.9 | 134 | -179.4 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | L217 N219 G220 N226 I227 V230 | L217-V222 HydrophobicContact CD2-CG1 4.11Å; N219-V222 HydrophobicContact CB-CG2 4.08Å; N219-V222 WeakPolarHBondContact O-CB 3.12Å; N219-V222 PolarHBondContact O-N 3.35Å; G220-V222 VanDerWaalsContact C-N 3.33Å; V222-N226 WeakPolarHBondContact CA-OD1 3.37Å; V222-I227 HydrophobicContact CG1-CB 4.38Å; V222-I227 HydrophobicContact CG1-CG1 4.41Å; V222-V230 HydrophobicContact CG1-CG2 4.49Å; V222-V230 HydrophobicContact CG2-CG1 4.13Å; V222-V230 HydrophobicContact CG2-CG2 4.19Å | ||
| 223 | N | 91.5 | Very high | 92.7 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | trans | -151.9 | 174.4 | 178.7 | 61.3 | 59.1 | 0 | 0 | 0 | 111.3 | Q66 G225 N226 I227 S332 | Q66-N223 PolarHBondContact NE2-ND2 3.41Å; N223-G225 PolarHBondContact O-N 2.86Å; N223-G225 VanDerWaalsContact O-N 3.07Å; N223-G225 WeakPolarHBondContact OD1-CA 3.2Å; N223-G225 PolarHBondContact OD1-N 2.93Å; N223-N226 PolarHBondContact N-OD1 3.35Å; N223-N226 PolarHBondContact O-N 3.18Å; N223-N226 VanDerWaalsContact O-N 3.08Å; N223-N226 PolarHBondContact O-OD1 3.02Å; N223-N226 PolarHBondContact OD1-N 3.21Å; N223-N226 VanDerWaalsContact OD1-N 3.12Å; N223-I227 WeakPolarHBondContact O-CB 3.36Å; N223-I227 PolarHBondContact O-N 3.37Å; N223-S332 WeakPolarHBondContact CB-OG 3.34Å | ||
| 224 | L | 90.6 | Very high | 92.9 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 34% | 0.34 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13 | -179.5 | -66 | 177.1 | 0 | 0 | 0 | 114.3 | F160 N336 T339 | F160-L224 HydrophobicContact CE1-CD1 3.97Å; F160-L224 HydrophobicContact CZ-CD1 3.88Å; L224-N336 WeakPolarHBondContact CB-OD1 3.32Å; L224-N336 HydrophobicContact CD1-CB 4.48Å; L224-N336 VanDerWaalsContact CG-OD1 3.27Å; L224-N336 WeakPolarHBondContact CG-OD1 3.38Å; L224-N336 PolarHBondContact N-OD1 2.84Å; L224-T339 HydrophobicContact CB-CG2 4.49Å; L224-T339 HydrophobicContact CD1-CG2 3.97Å |
| 225 | G | 91.3 | Very high | 93.2 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -36.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V53 N223 Y229 | V53-G225 WeakPolarHBondContact CG1-O 3.31Å; N223-G225 PolarHBondContact O-N 2.86Å; N223-G225 VanDerWaalsContact O-N 3.07Å; N223-G225 WeakPolarHBondContact OD1-CA 3.2Å; N223-G225 PolarHBondContact OD1-N 2.93Å; G225-Y229 WeakPolarHBondContact O-CE2 3.44Å |
| 226 | N | 94.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -8 | -171.9 | 74.1 | 9.1 | 0 | 0 | 0 | 116 | V53 D63 Q66 S221 V222 N223 T228 Y229 V230 | V53-N226 HydrophobicContact CG1-CB 3.53Å; D63-N226 HydrophobicContact CB-CB 3.7Å; D63-N226 WeakPolarHBondContact OD2-CB 3.42Å; D63-N226 PolarHBondContact OD2-ND2 2.93Å; Q66-N226 PolarHBondContact NE2-ND2 2.99Å; S221-N226 PolarHBondContact O-ND2 3.46Å; V222-N226 WeakPolarHBondContact CA-OD1 3.37Å; N223-N226 PolarHBondContact N-OD1 3.35Å; N223-N226 PolarHBondContact O-N 3.18Å; N223-N226 VanDerWaalsContact O-N 3.08Å; N223-N226 PolarHBondContact O-OD1 3.02Å; N223-N226 PolarHBondContact OD1-N 3.21Å; N223-N226 VanDerWaalsContact OD1-N 3.12Å; N226-T228 VanDerWaalsContact C-N 3.26Å; N226-T228 PolarHBondContact O-N 3.06Å; N226-T228 VanDerWaalsContact O-N 3.14Å; N226-Y229 HydrophobicContact CB-CD2 4.18Å; N226-Y229 WeakPolarHBondContact O-CD2 3.35Å; N226-Y229 PolarHBondContact O-N 3.1Å; N226-V230 PolarHBondContact O-N 3.4Å |
| 227 | I | 94.7 | Very high | 93.6 | Very high | 39 Ų | 39 | 31.9 Ų | 31.9 | 20% | 0.2 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -51.8 | -41.1 | -174.7 | -171.7 | 166.8 | 0 | 0 | 0 | 113.2 | L217 V222 N223 Y229 V230 L231 | L217-I227 HydrophobicContact CD1-CD1 4.46Å; L217-I227 HydrophobicContact CD2-CD1 4.32Å; L217-I227 HydrophobicContact CD2-CG1 4.07Å; V222-I227 HydrophobicContact CG1-CB 4.38Å; V222-I227 HydrophobicContact CG1-CG1 4.41Å; N223-I227 WeakPolarHBondContact O-CB 3.36Å; N223-I227 PolarHBondContact O-N 3.37Å; I227-Y229 VanDerWaalsContact C-N 3.25Å; I227-Y229 PolarHBondContact O-N 2.95Å; I227-V230 PolarHBondContact O-N 3.49Å; I227-L231 HydrophobicContact CG1-CD1 3.87Å; I227-L231 HydrophobicContact CG1-CG 4.08Å; I227-L231 VanDerWaalsContact O-CB 3.32Å; I227-L231 WeakPolarHBondContact O-CB 3.36Å; I227-L231 VanDerWaalsContact O-CG 3.24Å; I227-L231 WeakPolarHBondContact O-CG 3.39Å; I227-L231 PolarHBondContact O-N 2.87Å |
| 228 | T | 95.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 32.2 Ų | 32.2 | 33% | 0.331 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.3 | -38.2 | 178.3 | -53.5 | 0 | 0 | 0 | 0 | 112.5 | N226 M232 T261 | N226-T228 VanDerWaalsContact C-N 3.26Å; N226-T228 PolarHBondContact O-N 3.06Å; N226-T228 VanDerWaalsContact O-N 3.14Å; T228-M232 WeakPolarHBondContact O-CB 3.36Å; T228-M232 VanDerWaalsContact O-CG 3.3Å; T228-M232 WeakPolarHBondContact O-CG 3.33Å; T228-M232 PolarHBondContact O-N 2.83Å; T228-T261 HydrophobicContact CG2-CG2 4.14Å |
| 229 | Y | 97 | Very high | 94.2 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -79.6 | -35.3 | -178.5 | -44.5 | -62.6 | 0 | 0 | 0 | 112 | V53 P54 T57 G225 N226 I227 M232 K233 T261 M265 | V53-Y229 HydrophobicContact CB-CE2 4.19Å; V53-Y229 HydrophobicContact CG1-CD2 3.84Å; V53-Y229 HydrophobicContact CG1-CE2 3.55Å; P54-Y229 HydrophobicContact CB-CE1 3.79Å; P54-Y229 HydrophobicContact CB-CE2 4.39Å; P54-Y229 WeakPolarHBondContact CB-OH 3.23Å; P54-Y229 WeakPolarHBondContact CD-OH 3.27Å; P54-Y229 VanDerWaalsContact CG-OH 3.23Å; P54-Y229 WeakPolarHBondContact CG-OH 3.31Å; T57-Y229 HydrophobicContact CG2-CD1 3.96Å; T57-Y229 HydrophobicContact CG2-CG 3.75Å; G225-Y229 WeakPolarHBondContact O-CE2 3.44Å; N226-Y229 HydrophobicContact CB-CD2 4.18Å; N226-Y229 WeakPolarHBondContact O-CD2 3.35Å; N226-Y229 PolarHBondContact O-N 3.1Å; I227-Y229 VanDerWaalsContact C-N 3.25Å; I227-Y229 PolarHBondContact O-N 2.95Å; Y229-M232 PolarHBondContact O-N 3.39Å; Y229-K233 WeakPolarHBondContact O-CB 3.38Å; Y229-K233 PolarHBondContact O-N 3.4Å; Y229-T261 HydrophobicContact CD1-CG2 3.71Å; Y229-T261 HydrophobicContact CE1-CG2 3.99Å; Y229-M265 HydrophobicContact CE1-CB 4.03Å; Y229-M265 HydrophobicContact CE1-CG 4Å |
| 230 | V | 97.1 | Very high | 94.8 | Very high | 34 Ų | 34 | 26.3 Ų | 26.3 | 21% | 0.206 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 173.1 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | V216 L217 V222 N226 I227 K233 S234 | V216-V230 HydrophobicContact CG1-CG1 3.66Å; L217-V230 HydrophobicContact CD2-CG1 4.2Å; V222-V230 HydrophobicContact CG1-CG2 4.49Å; V222-V230 HydrophobicContact CG2-CG1 4.13Å; V222-V230 HydrophobicContact CG2-CG2 4.19Å; N226-V230 PolarHBondContact O-N 3.4Å; I227-V230 PolarHBondContact O-N 3.49Å; V230-K233 WeakPolarHBondContact O-CB 3.47Å; V230-K233 PolarHBondContact O-N 2.78Å; V230-S234 PolarHBondContact O-N 3.13Å |
| 231 | L | 97.3 | Very high | 95.5 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 9% | 0.094 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 175.3 | -75.1 | 175.4 | 0 | 0 | 0 | 111.6 | W207 T211 L217 I227 K233 S234 L235 | W207-L231 HydrophobicContact CB-CD2 4.48Å; W207-L231 HydrophobicContact CD2-CB 4.12Å; W207-L231 HydrophobicContact CD2-CD1 4.01Å; W207-L231 HydrophobicContact CD2-CD2 4.12Å; W207-L231 HydrophobicContact CD2-CG 4.33Å; W207-L231 HydrophobicContact CE3-CB 3.73Å; W207-L231 HydrophobicContact CE3-CD1 4.44Å; W207-L231 HydrophobicContact CE3-CD2 3.97Å; W207-L231 HydrophobicContact CE3-CG 4.27Å; W207-L231 HydrophobicContact CG-CD1 4.27Å; W207-L231 HydrophobicContact CG-CD2 4.37Å; W207-L231 HydrophobicContact CH2-CB 3.61Å; W207-L231 HydrophobicContact CZ2-CB 4.02Å; W207-L231 HydrophobicContact CZ2-CD1 4.34Å; W207-L231 VanDerWaalsContact CZ3-C 3.41Å; W207-L231 HydrophobicContact CZ3-CB 3.49Å; W207-L231 VanDerWaalsContact CZ3-CB 3.49Å; W207-L231 HydrophobicContact CZ3-CG 4.49Å; W207-L231 WeakPolarHBondContact CZ3-O 3.49Å; T211-L231 HydrophobicContact CG2-CD2 3.68Å; T211-L231 WeakPolarHBondContact OG1-CD2 3.38Å; L217-L231 HydrophobicContact CD1-CD2 4.31Å; L217-L231 HydrophobicContact CD2-CD2 4.08Å; L217-L231 HydrophobicContact CD2-CG 4.4Å; I227-L231 HydrophobicContact CG1-CD1 3.87Å; I227-L231 HydrophobicContact CG1-CG 4.08Å; I227-L231 VanDerWaalsContact O-CB 3.32Å; I227-L231 WeakPolarHBondContact O-CB 3.36Å; I227-L231 VanDerWaalsContact O-CG 3.24Å; I227-L231 WeakPolarHBondContact O-CG 3.39Å; I227-L231 PolarHBondContact O-N 2.87Å; L231-K233 VanDerWaalsContact C-N 3.31Å; L231-K233 PolarHBondContact O-N 3.4Å; L231-S234 WeakPolarHBondContact O-CB 3.4Å; L231-S234 PolarHBondContact O-N 3.39Å; L231-S234 VanDerWaalsContact O-N 3.14Å; L231-L235 PolarHBondContact O-N 2.89Å |
| 232 | M | 97.5 | Very high | 96 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 4% | 0.039 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -35.4 | 177.1 | -73.8 | -66.3 | -92.1 | 0 | 0 | 112.8 | L115 V118 W207 T228 Y229 L235 G236 F257 T261 | L115-M232 HydrophobicContact CB-CE 4.21Å; L115-M232 HydrophobicContact CD2-CE 3.72Å; L115-M232 HydrophobicContact CG-CE 4.38Å; V118-M232 HydrophobicContact CG1-CE 4.49Å; W207-M232 HydrophobicContact CH2-CG 3.87Å; W207-M232 HydrophobicContact CH2-SD 3.54Å; W207-M232 VanDerWaalsContact CH2-SD 3.54Å; W207-M232 HydrophobicContact CZ2-SD 4.38Å; W207-M232 HydrophobicContact CZ3-SD 4.39Å; T228-M232 WeakPolarHBondContact O-CB 3.36Å; T228-M232 VanDerWaalsContact O-CG 3.3Å; T228-M232 WeakPolarHBondContact O-CG 3.33Å; T228-M232 PolarHBondContact O-N 2.83Å; Y229-M232 PolarHBondContact O-N 3.39Å; M232-L235 PolarHBondContact O-N 3.26Å; M232-L235 HydrophobicContact SD-CD2 3.97Å; M232-G236 PolarHBondContact O-N 2.81Å; M232-G236 VanDerWaalsContact O-N 3.1Å; M232-F257 VanDerWaalsContact O-CB 3.27Å; M232-F257 WeakPolarHBondContact O-CB 3.17Å; M232-T261 HydrophobicContact CB-CG2 4.33Å; M232-T261 WeakPolarHBondContact CE-OG1 3.24Å; M232-T261 HydrophobicContact CG-CG2 3.81Å; M232-T261 WeakPolarHBondContact CG-OG1 3.18Å |
| 233 | K | 97.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 28.8 Ų | 28.8 | 26% | 0.257 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 171.6 | -171.5 | 176.4 | 176.9 | 179.8 | 0 | 111.1 | Y229 V230 L231 L235 G236 M237 G254 A258 | Y229-K233 WeakPolarHBondContact O-CB 3.38Å; Y229-K233 PolarHBondContact O-N 3.4Å; V230-K233 WeakPolarHBondContact O-CB 3.47Å; V230-K233 PolarHBondContact O-N 2.78Å; L231-K233 VanDerWaalsContact C-N 3.31Å; L231-K233 PolarHBondContact O-N 3.4Å; K233-L235 VanDerWaalsContact C-N 3.32Å; K233-L235 PolarHBondContact O-N 3.07Å; K233-G236 PolarHBondContact O-N 2.93Å; K233-M237 HydrophobicContact CD-SD 4.48Å; K233-M237 HydrophobicContact CG-CG 4.46Å; K233-M237 HydrophobicContact CG-SD 4Å; K233-M237 WeakPolarHBondContact O-CB 3.24Å; K233-M237 WeakPolarHBondContact O-CG 2.89Å; K233-M237 PolarHBondContact O-N 3.17Å; K233-G254 WeakPolarHBondContact CA-O 3.35Å; K233-G254 WeakPolarHBondContact O-CA 3.46Å; K233-A258 HydrophobicContact CB-CB 4.09Å |
| 234 | S | 97.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -42.6 | 176.7 | -155.8 | 0 | 0 | 0 | 0 | 111.5 | S210 T211 V230 L231 G236 M237 T238 | S210-S234 PolarHBondContact O-OG 3.2Å; T211-S234 WeakPolarHBondContact OG1-CB 3.36Å; T211-S234 PolarHBondContact OG1-OG 3.25Å; V230-S234 PolarHBondContact O-N 3.13Å; L231-S234 WeakPolarHBondContact O-CB 3.4Å; L231-S234 PolarHBondContact O-N 3.39Å; L231-S234 VanDerWaalsContact O-N 3.14Å; S234-G236 PolarHBondContact O-N 2.95Å; S234-M237 PolarHBondContact O-N 3.45Å; S234-T238 WeakPolarHBondContact O-CB 3.08Å; S234-T238 PolarHBondContact O-N 3.41Å; S234-T238 PolarHBondContact O-OG1 2.72Å |
| 235 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.8 | -50.2 | 175.8 | -173.6 | 69.4 | 0 | 0 | 0 | 112.2 | L119 V122 I126 W207 L231 M232 K233 T238 L239 F257 | L119-L235 HydrophobicContact CD1-CD1 4.35Å; L119-L235 HydrophobicContact CD1-CD2 4.13Å; V122-L235 HydrophobicContact CB-CD1 4.31Å; V122-L235 HydrophobicContact CB-CD2 4.25Å; V122-L235 HydrophobicContact CB-CG 4.3Å; V122-L235 HydrophobicContact CG1-CD1 3.77Å; V122-L235 HydrophobicContact CG1-CD2 4.2Å; V122-L235 HydrophobicContact CG1-CG 3.73Å; I126-L235 HydrophobicContact CD1-CD1 3.82Å; W207-L235 HydrophobicContact CZ3-CB 4.07Å; W207-L235 HydrophobicContact CZ3-CD2 4.4Å; L231-L235 PolarHBondContact O-N 2.89Å; M232-L235 PolarHBondContact O-N 3.26Å; M232-L235 HydrophobicContact SD-CD2 3.97Å; K233-L235 VanDerWaalsContact C-N 3.32Å; K233-L235 PolarHBondContact O-N 3.07Å; L235-T238 PolarHBondContact O-N 3.25Å; L235-L239 WeakPolarHBondContact O-CB 3.29Å; L235-L239 PolarHBondContact O-N 3.45Å; L235-F257 HydrophobicContact CB-CD1 4.42Å; L235-F257 HydrophobicContact CD2-CD1 4.15Å; L235-F257 HydrophobicContact CD2-CE1 3.99Å; L235-F257 HydrophobicContact CG-CD1 4.35Å; L235-F257 HydrophobicContact CG-CE1 4.16Å |
| 236 | G | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.6 | -38.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | M232 K233 S234 G240 L253 | M232-G236 PolarHBondContact O-N 2.81Å; M232-G236 VanDerWaalsContact O-N 3.1Å; K233-G236 PolarHBondContact O-N 2.93Å; S234-G236 PolarHBondContact O-N 2.95Å; G236-G240 PolarHBondContact O-N 3.23Å; G236-L253 WeakPolarHBondContact O-CD2 3.35Å |
| 237 | M | 98 | Very high | 97.2 | Very high | 63 Ų | 63 | 44 Ų | 44 | 31% | 0.31 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 175.2 | -72.7 | 178.5 | 62.8 | 0 | 0 | 111.7 | K233 S234 L239 G240 N241 S250 L251 | K233-M237 HydrophobicContact CD-SD 4.48Å; K233-M237 HydrophobicContact CG-CG 4.46Å; K233-M237 HydrophobicContact CG-SD 4Å; K233-M237 WeakPolarHBondContact O-CB 3.24Å; K233-M237 WeakPolarHBondContact O-CG 2.89Å; K233-M237 PolarHBondContact O-N 3.17Å; S234-M237 PolarHBondContact O-N 3.45Å; M237-L239 VanDerWaalsContact C-N 3.35Å; M237-L239 PolarHBondContact O-N 3.3Å; M237-G240 PolarHBondContact O-N 3.19Å; M237-N241 VanDerWaalsContact O-CG 3.29Å; M237-N241 PolarHBondContact O-N 3.44Å; M237-N241 PolarHBondContact O-ND2 2.91Å; M237-S250 WeakPolarHBondContact CA-O 3.3Å; M237-L251 HydrophobicContact CE-CD1 4.21Å; M237-L251 HydrophobicContact SD-CD1 3.97Å |
| 238 | T | 97.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 179.8 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | I126 S210 S234 L235 N241 A242 | I126-T238 HydrophobicContact CD1-CG2 4.19Å; I126-T238 HydrophobicContact CG2-CG2 3.79Å; S210-T238 PolarHBondContact O-OG1 3.05Å; S210-T238 VanDerWaalsContact O-OG1 3.06Å; S234-T238 WeakPolarHBondContact O-CB 3.08Å; S234-T238 PolarHBondContact O-N 3.41Å; S234-T238 PolarHBondContact O-OG1 2.72Å; L235-T238 PolarHBondContact O-N 3.25Å; T238-N241 PolarHBondContact O-N 3.44Å; T238-A242 WeakPolarHBondContact O-CB 3.42Å; T238-A242 PolarHBondContact O-N 3.24Å |
| 239 | L | 98.3 | Very high | 97.5 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 170.4 | 177.5 | 62.6 | 0 | 0 | 0 | 111.6 | V122 T125 I126 L235 M237 N241 A242 L243 L253 F257 | V122-L239 HydrophobicContact CG1-CB 3.95Å; V122-L239 HydrophobicContact CG1-CD1 4.24Å; V122-L239 HydrophobicContact CG1-CD2 3.78Å; V122-L239 HydrophobicContact CG1-CG 4.19Å; V122-L239 HydrophobicContact CG2-CD2 4.29Å; T125-L239 HydrophobicContact CG2-CD1 4.06Å; I126-L239 HydrophobicContact CD1-CB 4.06Å; I126-L239 HydrophobicContact CG1-CB 4.09Å; I126-L239 HydrophobicContact CG1-CD1 4.11Å; L235-L239 WeakPolarHBondContact O-CB 3.29Å; L235-L239 PolarHBondContact O-N 3.45Å; M237-L239 VanDerWaalsContact C-N 3.35Å; M237-L239 PolarHBondContact O-N 3.3Å; L239-N241 VanDerWaalsContact C-N 3.3Å; L239-N241 PolarHBondContact O-N 3.29Å; L239-A242 PolarHBondContact O-N 3.1Å; L239-L243 HydrophobicContact CD1-CD1 3.95Å; L239-L243 HydrophobicContact CD1-CG 4.19Å; L239-L243 HydrophobicContact CG-CD1 3.97Å; L239-L243 WeakPolarHBondContact O-CB 3.33Å; L239-L243 WeakPolarHBondContact O-CG 3.38Å; L239-L243 PolarHBondContact O-N 3.18Å; L239-L253 HydrophobicContact CB-CD2 4.38Å; L239-L253 HydrophobicContact CD2-CD2 4.14Å; L239-L253 HydrophobicContact CG-CD2 4.21Å; L239-F257 HydrophobicContact CD2-CZ 4.06Å |
| 240 | G | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G236 M237 L243 H244 L245 S250 | G236-G240 PolarHBondContact O-N 3.23Å; M237-G240 PolarHBondContact O-N 3.19Å; G240-L243 CarbonylContact O-C 3.58Å; G240-L243 PolarHBondContact O-N 2.84Å; G240-H244 PolarHBondContact O-N 3.38Å; G240-L245 WeakPolarHBondContact O-CB 3.48Å; G240-L245 WeakPolarHBondContact O-CG 3.44Å; G240-L245 PolarHBondContact O-N 3.45Å; G240-S250 WeakPolarHBondContact CA-OG 3.22Å; G240-S250 PolarHBondContact O-OG 3.45Å |
| 241 | N | 97.1 | Very high | 97.6 | Very high | 89 Ų | 89 | 49.5 Ų | 49.5 | 48% | 0.476 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 176.7 | -67.3 | -16.9 | 0 | 0 | 0 | 112 | M237 T238 L239 L243 H244 S250 | M237-N241 VanDerWaalsContact O-CG 3.29Å; M237-N241 PolarHBondContact O-N 3.44Å; M237-N241 PolarHBondContact O-ND2 2.91Å; T238-N241 PolarHBondContact O-N 3.44Å; L239-N241 VanDerWaalsContact C-N 3.3Å; L239-N241 PolarHBondContact O-N 3.29Å; N241-L243 PolarHBondContact O-N 2.87Å; N241-H244 PolarHBondContact O-N 3.01Å; N241-S250 PolarHBondContact N-OG 2.69Å; N241-S250 VanDerWaalsContact OD1-CB 3.25Å; N241-S250 WeakPolarHBondContact OD1-CB 3.34Å; N241-S250 PolarHBondContact OD1-OG 3.22Å |
| 242 | A | 96.9 | Very high | 97.6 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 5% | 0.05 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -26.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L129 N130 T238 L239 H244 | L129-A242 HydrophobicContact CB-CB 3.89Å; L129-A242 HydrophobicContact CD1-CB 3.94Å; N130-A242 WeakPolarHBondContact OD1-CB 3.49Å; T238-A242 WeakPolarHBondContact O-CB 3.42Å; T238-A242 PolarHBondContact O-N 3.24Å; L239-A242 PolarHBondContact O-N 3.1Å; A242-H244 VanDerWaalsContact C-N 3.31Å |
| 243 | L | 97.3 | Very high | 97.7 | Very high | 85 Ų | 85 | 53.3 Ų | 53.3 | 45% | 0.445 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 6.6 | 173.4 | -68.7 | 172.4 | 0 | 0 | 0 | 113.6 | L129 L239 G240 N241 L245 | L129-L243 HydrophobicContact CD1-CD2 3.65Å; L129-L243 HydrophobicContact CD1-CG 4.09Å; L239-L243 HydrophobicContact CD1-CD1 3.95Å; L239-L243 HydrophobicContact CD1-CG 4.19Å; L239-L243 HydrophobicContact CG-CD1 3.97Å; L239-L243 WeakPolarHBondContact O-CB 3.33Å; L239-L243 WeakPolarHBondContact O-CG 3.38Å; L239-L243 PolarHBondContact O-N 3.18Å; G240-L243 CarbonylContact O-C 3.58Å; G240-L243 PolarHBondContact O-N 2.84Å; N241-L243 PolarHBondContact O-N 2.87Å; L243-L245 HydrophobicContact CB-CD2 4.47Å; L243-L245 HydrophobicContact CB-CG 4.06Å; L243-L245 PolarHBondContact O-N 3.42Å |
| 244 | H | 95.8 | Very high | 97.7 | Very high | 174 Ų | 174 | 50.5 Ų | 50.5 | 81% | 0.806 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 31.6 | -176.5 | -53.6 | -64.4 | 0 | 0 | 0 | 114.3 | G240 N241 A242 | G240-H244 PolarHBondContact O-N 3.38Å; N241-H244 PolarHBondContact O-N 3.01Å; A242-H244 VanDerWaalsContact C-N 3.31Å |
| 245 | L | 97.4 | Very high | 97.7 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 39% | 0.393 | 29% | 0.285 | S | S | . | . | trans | -68.7 | 160.2 | 171.4 | -56.8 | -175.6 | 0 | 0 | 0 | 110.6 | G240 L243 A249 L253 | G240-L245 WeakPolarHBondContact O-CB 3.48Å; G240-L245 WeakPolarHBondContact O-CG 3.44Å; G240-L245 PolarHBondContact O-N 3.45Å; L243-L245 HydrophobicContact CB-CD2 4.47Å; L243-L245 HydrophobicContact CB-CG 4.06Å; L243-L245 PolarHBondContact O-N 3.42Å; L245-A249 HydrophobicContact CB-CB 3.96Å; L245-A249 HydrophobicContact CD1-CB 4.46Å; L245-L253 HydrophobicContact CD1-CD2 4.35Å | ||
| 246 | S | 97.8 | Very high | 97.7 | Very high | 58 Ų | 58 | 58.6 Ų | 58.6 | 41% | 0.406 | 31% | 0.312 | S | S | . | . | trans | -62.1 | 155.1 | 172.6 | 88.5 | 0 | 0 | 0 | 0 | 110.8 | E248 A249 S250 | S246-E248 WeakPolarHBondContact CB-OE2 3.49Å; S246-E248 PolarHBondContact O-N 3.4Å; S246-E248 VanDerWaalsContact O-N 3.15Å; S246-E248 PolarHBondContact OG-N 3.07Å; S246-E248 PolarHBondContact OG-OE2 3.37Å; S246-A249 PolarHBondContact O-N 2.93Å; S246-A249 PolarHBondContact OG-N 3.26Å; S246-S250 PolarHBondContact O-N 3.15Å; S246-S250 PolarHBondContact O-OG 2.9Å | ||
| 247 | P | 97.4 | Very high | 97.7 | Very high | 96 Ų | 96 | 60 Ų | 60 | 62% | 0.623 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -52.5 | -37.9 | 177.7 | -27.5 | 35.9 | 0 | 0 | 0 | 113.5 | L251 | P247-L251 WeakPolarHBondContact O-CB 3.37Å; P247-L251 PolarHBondContact O-N 3.3Å |
| 248 | E | 97.6 | Very high | 97.7 | Very high | 132 Ų | 132 | 57.1 Ų | 57.1 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.9 | -40.8 | 178.7 | -55.8 | 70.1 | -148.8 | 0 | 0 | 111.7 | S246 L251 S252 | S246-E248 WeakPolarHBondContact CB-OE2 3.49Å; S246-E248 PolarHBondContact O-N 3.4Å; S246-E248 VanDerWaalsContact O-N 3.15Å; S246-E248 PolarHBondContact OG-N 3.07Å; S246-E248 PolarHBondContact OG-OE2 3.37Å; E248-L251 PolarHBondContact O-N 3.2Å; E248-S252 WeakPolarHBondContact O-CB 3.43Å; E248-S252 PolarHBondContact O-N 2.57Å |
| 249 | A | 98 | Very high | 97.7 | Very high | 38 Ų | 38 | 59.1 Ų | 59.1 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L245 S246 S252 L253 | L245-A249 HydrophobicContact CB-CB 3.96Å; L245-A249 HydrophobicContact CD1-CB 4.46Å; S246-A249 PolarHBondContact O-N 2.93Å; S246-A249 PolarHBondContact OG-N 3.26Å; A249-S252 PolarHBondContact O-N 2.88Å; A249-L253 WeakPolarHBondContact O-CB 3.24Å; A249-L253 PolarHBondContact O-N 3.09Å |
| 250 | S | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 173.2 | -63.3 | 0 | 0 | 0 | 0 | 112 | M237 G240 N241 S246 L253 G254 | M237-S250 WeakPolarHBondContact CA-O 3.3Å; G240-S250 WeakPolarHBondContact CA-OG 3.22Å; G240-S250 PolarHBondContact O-OG 3.45Å; N241-S250 PolarHBondContact N-OG 2.69Å; N241-S250 VanDerWaalsContact OD1-CB 3.25Å; N241-S250 WeakPolarHBondContact OD1-CB 3.34Å; N241-S250 PolarHBondContact OD1-OG 3.22Å; S246-S250 PolarHBondContact O-N 3.15Å; S246-S250 PolarHBondContact O-OG 2.9Å; S250-L253 PolarHBondContact O-N 2.92Å; S250-G254 PolarHBondContact O-N 3.16Å |
| 251 | L | 97.9 | Very high | 97.5 | Very high | 78 Ų | 78 | 62.5 Ų | 62.5 | 41% | 0.408 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.4 | 178.2 | 61 | 0 | 0 | 0 | 111.6 | M237 P247 E248 L253 G254 V255 | M237-L251 HydrophobicContact CE-CD1 4.21Å; M237-L251 HydrophobicContact SD-CD1 3.97Å; P247-L251 WeakPolarHBondContact O-CB 3.37Å; P247-L251 PolarHBondContact O-N 3.3Å; E248-L251 PolarHBondContact O-N 3.2Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.38Å; L251-G254 PolarHBondContact O-N 2.79Å; L251-V255 HydrophobicContact CD1-CG2 4.43Å; L251-V255 WeakPolarHBondContact O-CG2 3.37Å; L251-V255 PolarHBondContact O-N 2.79Å |
| 252 | S | 98.1 | Very high | 97.5 | Very high | 59 Ų | 59 | 58.2 Ų | 58.2 | 41% | 0.413 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 176.8 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | E248 A249 G254 V255 W256 | E248-S252 WeakPolarHBondContact O-CB 3.43Å; E248-S252 PolarHBondContact O-N 2.57Å; A249-S252 PolarHBondContact O-N 2.88Å; S252-G254 PolarHBondContact O-N 2.99Å; S252-V255 PolarHBondContact O-N 2.7Å; S252-W256 VanDerWaalsContact O-CD1 3.28Å; S252-W256 PolarHBondContact O-N 2.96Å |
| 253 | L | 98.2 | Very high | 97.5 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 176.3 | -174.1 | 59.8 | 0 | 0 | 0 | 111.5 | G236 L239 L245 A249 S250 L251 V255 W256 F257 | G236-L253 WeakPolarHBondContact O-CD2 3.35Å; L239-L253 HydrophobicContact CB-CD2 4.38Å; L239-L253 HydrophobicContact CD2-CD2 4.14Å; L239-L253 HydrophobicContact CG-CD2 4.21Å; L245-L253 HydrophobicContact CD1-CD2 4.35Å; A249-L253 WeakPolarHBondContact O-CB 3.24Å; A249-L253 PolarHBondContact O-N 3.09Å; S250-L253 PolarHBondContact O-N 2.92Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.38Å; L253-V255 PolarHBondContact O-N 3.43Å; L253-W256 PolarHBondContact O-N 2.93Å; L253-F257 HydrophobicContact CD1-CD2 4.12Å; L253-F257 HydrophobicContact CD1-CE2 3.74Å; L253-F257 HydrophobicContact CG-CD2 4.31Å; L253-F257 HydrophobicContact CG-CE2 4.07Å; L253-F257 VanDerWaalsContact O-CD2 3.27Å; L253-F257 WeakPolarHBondContact O-CD2 3.47Å; L253-F257 PolarHBondContact O-N 2.91Å |
| 254 | G | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K233 S250 L251 S252 W256 F257 A258 | K233-G254 WeakPolarHBondContact CA-O 3.35Å; K233-G254 WeakPolarHBondContact O-CA 3.46Å; S250-G254 PolarHBondContact O-N 3.16Å; L251-G254 PolarHBondContact O-N 2.79Å; S252-G254 PolarHBondContact O-N 2.99Å; G254-W256 VanDerWaalsContact C-N 3.32Å; G254-W256 PolarHBondContact O-N 3.47Å; G254-F257 WeakPolarHBondContact O-CB 3.15Å; G254-F257 PolarHBondContact O-N 3Å; G254-A258 PolarHBondContact O-N 3.01Å |
| 255 | V | 98.2 | Very high | 97.2 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 176.4 | 166.2 | 0 | 0 | 0 | 0 | 111.1 | L251 S252 L253 A258 R259 | L251-V255 HydrophobicContact CD1-CG2 4.43Å; L251-V255 WeakPolarHBondContact O-CG2 3.37Å; L251-V255 PolarHBondContact O-N 2.79Å; S252-V255 PolarHBondContact O-N 2.7Å; L253-V255 PolarHBondContact O-N 3.43Å; V255-A258 PolarHBondContact O-N 3.22Å; V255-R259 HydrophobicContact CG1-CG 4.3Å; V255-R259 WeakPolarHBondContact O-CB 3.27Å; V255-R259 VanDerWaalsContact O-CG 3.28Å; V255-R259 WeakPolarHBondContact O-CG 3.31Å; V255-R259 PolarHBondContact O-N 2.94Å |
| 256 | W | 98 | Very high | 97.1 | Very high | 149 Ų | 149 | 48.7 Ų | 48.7 | 56% | 0.564 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 176.1 | -84.4 | 111.3 | 0 | 0 | 0 | 113 | S252 L253 G254 A258 R259 I260 | S252-W256 VanDerWaalsContact O-CD1 3.28Å; S252-W256 PolarHBondContact O-N 2.96Å; L253-W256 PolarHBondContact O-N 2.93Å; G254-W256 VanDerWaalsContact C-N 3.32Å; G254-W256 PolarHBondContact O-N 3.47Å; W256-A258 VanDerWaalsContact C-N 3.31Å; W256-A258 PolarHBondContact O-N 3.07Å; W256-R259 HydrophobicContact CE3-CB 4.46Å; W256-R259 PolarHBondContact O-N 3.41Å; W256-I260 WeakPolarHBondContact O-CG1 3.19Å; W256-I260 PolarHBondContact O-N 3.42Å |
| 257 | F | 97.9 | Very high | 96.9 | Very high | 31 Ų | 31 | 48 Ų | 48 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.3 | -46.6 | 172.6 | -88.5 | -126.9 | 0 | 0 | 0 | 111.1 | V118 V122 M232 L235 L239 L253 G254 T261 | V118-F257 HydrophobicContact CG1-CD1 4.45Å; V118-F257 HydrophobicContact CG1-CE1 3.81Å; V118-F257 HydrophobicContact CG1-CZ 4.37Å; V122-F257 HydrophobicContact CG1-CE1 4.28Å; V122-F257 HydrophobicContact CG2-CE1 4.09Å; V122-F257 HydrophobicContact CG2-CZ 4.08Å; M232-F257 VanDerWaalsContact O-CB 3.27Å; M232-F257 WeakPolarHBondContact O-CB 3.17Å; L235-F257 HydrophobicContact CB-CD1 4.42Å; L235-F257 HydrophobicContact CD2-CD1 4.15Å; L235-F257 HydrophobicContact CD2-CE1 3.99Å; L235-F257 HydrophobicContact CG-CD1 4.35Å; L235-F257 HydrophobicContact CG-CE1 4.16Å; L239-F257 HydrophobicContact CD2-CZ 4.06Å; L253-F257 HydrophobicContact CD1-CD2 4.12Å; L253-F257 HydrophobicContact CD1-CE2 3.74Å; L253-F257 HydrophobicContact CG-CD2 4.31Å; L253-F257 HydrophobicContact CG-CE2 4.07Å; L253-F257 VanDerWaalsContact O-CD2 3.27Å; L253-F257 WeakPolarHBondContact O-CD2 3.47Å; L253-F257 PolarHBondContact O-N 2.91Å; G254-F257 WeakPolarHBondContact O-CB 3.15Å; G254-F257 PolarHBondContact O-N 3Å; F257-T261 VanDerWaalsContact O-CB 3.28Å; F257-T261 WeakPolarHBondContact O-CB 3.31Å; F257-T261 PolarHBondContact O-N 3.03Å; F257-T261 PolarHBondContact O-OG1 3.48Å |
| 258 | A | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T57 K233 G254 V255 W256 T261 G262 | T57-A258 HydrophobicContact CG2-CB 3.87Å; T57-A258 VanDerWaalsContact CG2-O 3.24Å; T57-A258 WeakPolarHBondContact CG2-O 3.04Å; K233-A258 HydrophobicContact CB-CB 4.09Å; G254-A258 PolarHBondContact O-N 3.01Å; V255-A258 PolarHBondContact O-N 3.22Å; W256-A258 VanDerWaalsContact C-N 3.31Å; W256-A258 PolarHBondContact O-N 3.07Å; A258-T261 WeakPolarHBondContact O-CB 3.34Å; A258-T261 PolarHBondContact O-N 3.03Å; A258-G262 PolarHBondContact O-N 2.96Å |
| 259 | R | 97.8 | Very high | 96.3 | Very high | 69 Ų | 69 | 40.8 Ų | 40.8 | 26% | 0.26 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -47.9 | -180 | -74.3 | 177.5 | 176.9 | -91.1 | 1.1 | 112.6 | F58 L59 V255 W256 T261 G262 L263 | F58-R259 WeakPolarHBondContact O-CG 3.46Å; F58-R259 PolarHBondContact O-NH1 3.35Å; L59-R259 VanDerWaalsContact O-CZ 3.31Å; L59-R259 PolarHBondContact O-NH1 2.94Å; L59-R259 PolarHBondContact O-NH2 3.23Å; V255-R259 HydrophobicContact CG1-CG 4.3Å; V255-R259 WeakPolarHBondContact O-CB 3.27Å; V255-R259 VanDerWaalsContact O-CG 3.28Å; V255-R259 WeakPolarHBondContact O-CG 3.31Å; V255-R259 PolarHBondContact O-N 2.94Å; W256-R259 HydrophobicContact CE3-CB 4.46Å; W256-R259 PolarHBondContact O-N 3.41Å; R259-T261 VanDerWaalsContact C-N 3.29Å; R259-T261 PolarHBondContact O-N 2.79Å; R259-G262 PolarHBondContact O-N 3.1Å; R259-L263 PolarHBondContact O-N 2.99Å |
| 260 | I | 95.9 | Very high | 96 | Very high | 91 Ų | 91 | 39.7 Ų | 39.7 | 47% | 0.467 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 178.5 | -66.7 | 167.6 | 0 | 0 | 0 | 110 | L115 W256 L263 S264 | L115-I260 HydrophobicContact CD2-CG2 4.38Å; W256-I260 WeakPolarHBondContact O-CG1 3.19Å; W256-I260 PolarHBondContact O-N 3.42Å; I260-L263 PolarHBondContact O-N 2.93Å; I260-S264 WeakPolarHBondContact O-CB 3.35Å; I260-S264 PolarHBondContact O-N 2.89Å; I260-S264 PolarHBondContact O-OG 3.31Å |
| 261 | T | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 174.3 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | L115 T228 Y229 M232 F257 A258 R259 L263 S264 M265 | L115-T261 HydrophobicContact CD1-CG2 3.98Å; T228-T261 HydrophobicContact CG2-CG2 4.14Å; Y229-T261 HydrophobicContact CD1-CG2 3.71Å; Y229-T261 HydrophobicContact CE1-CG2 3.99Å; M232-T261 HydrophobicContact CB-CG2 4.33Å; M232-T261 WeakPolarHBondContact CE-OG1 3.24Å; M232-T261 HydrophobicContact CG-CG2 3.81Å; M232-T261 WeakPolarHBondContact CG-OG1 3.18Å; F257-T261 VanDerWaalsContact O-CB 3.28Å; F257-T261 WeakPolarHBondContact O-CB 3.31Å; F257-T261 PolarHBondContact O-N 3.03Å; F257-T261 PolarHBondContact O-OG1 3.48Å; A258-T261 WeakPolarHBondContact O-CB 3.34Å; A258-T261 PolarHBondContact O-N 3.03Å; R259-T261 VanDerWaalsContact C-N 3.29Å; R259-T261 PolarHBondContact O-N 2.79Å; T261-L263 PolarHBondContact O-N 3.39Å; T261-S264 PolarHBondContact O-N 3.33Å; T261-M265 HydrophobicContact CG2-CG 4.27Å; T261-M265 WeakPolarHBondContact O-CB 3.28Å; T261-M265 WeakPolarHBondContact O-CG 3.42Å; T261-M265 PolarHBondContact O-N 3.36Å |
| 262 | G | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.8 | -48.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P54 A258 R259 S264 M265 F266 | P54-G262 WeakPolarHBondContact CB-O 3.4Å; P54-G262 CarbonylContact O-C 3.58Å; P54-G262 WeakPolarHBondContact O-CA 3.23Å; A258-G262 PolarHBondContact O-N 2.96Å; R259-G262 PolarHBondContact O-N 3.1Å; G262-S264 PolarHBondContact O-N 3.03Å; G262-M265 PolarHBondContact O-N 3.37Å; G262-F266 VanDerWaalsContact O-CB 3.28Å; G262-F266 WeakPolarHBondContact O-CB 3.45Å; G262-F266 PolarHBondContact O-N 3.09Å |
| 263 | L | 95.2 | Very high | 94.8 | Very high | 66 Ų | 66 | 34.7 Ų | 34.7 | 35% | 0.346 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 177 | -177.2 | 58.9 | 0 | 0 | 0 | 111.9 | F58 R259 I260 T261 M265 F266 L267 | F58-L263 HydrophobicContact CB-CB 4.48Å; F58-L263 HydrophobicContact CD1-CD1 4.32Å; F58-L263 HydrophobicContact CD2-CB 3.65Å; F58-L263 HydrophobicContact CD2-CD1 4.35Å; F58-L263 HydrophobicContact CD2-CD2 4.42Å; F58-L263 HydrophobicContact CD2-CG 4.36Å; F58-L263 HydrophobicContact CE1-CD1 4.2Å; F58-L263 HydrophobicContact CE2-CB 4.06Å; F58-L263 HydrophobicContact CE2-CD1 4.23Å; F58-L263 HydrophobicContact CE2-CD2 3.95Å; F58-L263 HydrophobicContact CE2-CG 4.31Å; F58-L263 HydrophobicContact CG-CB 4.07Å; F58-L263 HydrophobicContact CG-CD1 4.38Å; F58-L263 HydrophobicContact CZ-CD1 4.15Å; F58-L263 HydrophobicContact CZ-CD2 4.36Å; R259-L263 PolarHBondContact O-N 2.99Å; I260-L263 PolarHBondContact O-N 2.93Å; T261-L263 PolarHBondContact O-N 3.39Å; L263-M265 PolarHBondContact O-N 2.83Å; L263-F266 PolarHBondContact O-N 3.33Å; L263-L267 HydrophobicContact CD1-CD1 4.3Å; L263-L267 HydrophobicContact CD1-CG 4.31Å; L263-L267 HydrophobicContact CG-CD1 4.26Å; L263-L267 WeakPolarHBondContact O-CG 3.06Å; L263-L267 PolarHBondContact O-N 3.14Å |
| 264 | S | 94 | Very high | 94.2 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | -179.1 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | A111 I260 T261 G262 L267 A268 | A111-S264 WeakPolarHBondContact CB-OG 3.31Å; I260-S264 WeakPolarHBondContact O-CB 3.35Å; I260-S264 PolarHBondContact O-N 2.89Å; I260-S264 PolarHBondContact O-OG 3.31Å; T261-S264 PolarHBondContact O-N 3.33Å; G262-S264 PolarHBondContact O-N 3.03Å; S264-L267 PolarHBondContact O-N 3.02Å; S264-A268 WeakPolarHBondContact O-CB 3.01Å; S264-A268 PolarHBondContact O-N 3.25Å |
| 265 | M | 94.6 | Very high | 93.5 | Very high | 28 Ų | 28 | 36.3 Ų | 36.3 | 14% | 0.138 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.4 | -37.7 | 178.8 | -72.7 | -64.6 | -70.4 | 0 | 0 | 112.1 | P54 V112 Y229 T261 G262 L263 A268 Y269 | P54-M265 HydrophobicContact CB-CB 3.87Å; P54-M265 HydrophobicContact CG-CB 4.32Å; V112-M265 HydrophobicContact CG2-SD 3.89Å; Y229-M265 HydrophobicContact CE1-CB 4.03Å; Y229-M265 HydrophobicContact CE1-CG 4Å; T261-M265 HydrophobicContact CG2-CG 4.27Å; T261-M265 WeakPolarHBondContact O-CB 3.28Å; T261-M265 WeakPolarHBondContact O-CG 3.42Å; T261-M265 PolarHBondContact O-N 3.36Å; G262-M265 PolarHBondContact O-N 3.37Å; L263-M265 PolarHBondContact O-N 2.83Å; M265-A268 PolarHBondContact O-N 2.93Å; M265-Y269 HydrophobicContact CE-CE1 4.01Å; M265-Y269 HydrophobicContact CE-CE2 4.12Å; M265-Y269 WeakPolarHBondContact CE-OH 3.39Å; M265-Y269 WeakPolarHBondContact O-CB 3.4Å; M265-Y269 WeakPolarHBondContact O-CD2 3.39Å; M265-Y269 PolarHBondContact O-N 3.05Å |
| 266 | F | 94.8 | Very high | 93.1 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 16% | 0.158 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 175 | 178.5 | -103.2 | 0 | 0 | 0 | 111.9 | V51 P54 F55 W86 G262 L263 T270 | V51-F266 HydrophobicContact CG2-CD2 3.73Å; V51-F266 HydrophobicContact CG2-CE2 3.81Å; P54-F266 HydrophobicContact CB-CB 4.15Å; P54-F266 HydrophobicContact CG-CB 4.43Å; F55-F266 HydrophobicContact CB-CD2 3.72Å; F55-F266 HydrophobicContact CB-CE2 3.94Å; F55-F266 HydrophobicContact CB-CG 4.44Å; F55-F266 HydrophobicContact CD2-CD1 4.33Å; F55-F266 AromaticContact CD2-CD2 3.98Å; F55-F266 HydrophobicContact CD2-CD2 3.98Å; F55-F266 HydrophobicContact CD2-CE1 4.14Å; F55-F266 AromaticContact CD2-CE2 3.76Å; F55-F266 HydrophobicContact CD2-CE2 3.76Å; F55-F266 HydrophobicContact CD2-CG 4.25Å; F55-F266 AromaticContact CD2-CZ 3.86Å; F55-F266 HydrophobicContact CD2-CZ 3.86Å; F55-F266 HydrophobicContact CE2-CZ 4.33Å; F55-F266 HydrophobicContact CG-CD2 4.24Å; F55-F266 HydrophobicContact CG-CE2 4.07Å; W86-F266 HydrophobicContact CZ3-CZ 4.46Å; G262-F266 VanDerWaalsContact O-CB 3.28Å; G262-F266 WeakPolarHBondContact O-CB 3.45Å; G262-F266 PolarHBondContact O-N 3.09Å; L263-F266 PolarHBondContact O-N 3.33Å; F266-T270 WeakPolarHBondContact O-CB 3.38Å; F266-T270 PolarHBondContact O-N 3.34Å; F266-T270 PolarHBondContact O-OG1 3.28Å |
| 267 | L | 92.5 | Very high | 92.6 | Very high | 43 Ų | 43 | 29.6 Ų | 29.6 | 23% | 0.225 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 176.9 | -65.1 | 176.4 | 0 | 0 | 0 | 111.8 | I104 V107 L263 S264 T270 G271 | I104-L267 HydrophobicContact CG2-CD2 4.03Å; V107-L267 HydrophobicContact CG1-CD1 4.34Å; L263-L267 HydrophobicContact CD1-CD1 4.3Å; L263-L267 HydrophobicContact CD1-CG 4.31Å; L263-L267 HydrophobicContact CG-CD1 4.26Å; L263-L267 WeakPolarHBondContact O-CG 3.06Å; L263-L267 PolarHBondContact O-N 3.14Å; S264-L267 PolarHBondContact O-N 3.02Å; L267-T270 WeakPolarHBondContact O-CB 3.43Å; L267-T270 PolarHBondContact O-N 2.58Å; L267-G271 PolarHBondContact O-N 2.9Å |
| 268 | A | 91.9 | Very high | 92 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 17% | 0.174 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V112 S264 M265 T270 G271 A272 | V112-A268 HydrophobicContact CG2-CB 3.78Å; S264-A268 WeakPolarHBondContact O-CB 3.01Å; S264-A268 PolarHBondContact O-N 3.25Å; M265-A268 PolarHBondContact O-N 2.93Å; A268-T270 VanDerWaalsContact C-N 3.35Å; A268-T270 PolarHBondContact O-N 2.73Å; A268-G271 PolarHBondContact O-N 3.18Å; A268-A272 WeakPolarHBondContact O-CB 3.36Å; A268-A272 PolarHBondContact O-N 3.03Å |
| 269 | Y | 92.3 | Very high | 91.4 | Very high | 56 Ų | 56 | 32.5 Ų | 32.5 | 22% | 0.22 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 174.7 | -75.7 | -26.6 | 0 | 0 | 0 | 112 | T47 P54 M265 G271 A272 F273 | T47-Y269 HydrophobicContact CG2-CD1 4.18Å; T47-Y269 HydrophobicContact CG2-CG 4.29Å; P54-Y269 HydrophobicContact CG-CD2 3.85Å; P54-Y269 HydrophobicContact CG-CE2 3.96Å; M265-Y269 HydrophobicContact CE-CE1 4.01Å; M265-Y269 HydrophobicContact CE-CE2 4.12Å; M265-Y269 WeakPolarHBondContact CE-OH 3.39Å; M265-Y269 WeakPolarHBondContact O-CB 3.4Å; M265-Y269 WeakPolarHBondContact O-CD2 3.39Å; M265-Y269 PolarHBondContact O-N 3.05Å; Y269-G271 VanDerWaalsContact C-N 3.34Å; Y269-G271 PolarHBondContact O-N 3Å; Y269-A272 PolarHBondContact O-N 3.48Å; Y269-F273 WeakPolarHBondContact O-CB 3.47Å; Y269-F273 PolarHBondContact O-N 2.94Å |
| 270 | T | 91.2 | Very high | 90.9 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 9% | 0.086 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -53.7 | -53.9 | 174.9 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | W86 F266 L267 A268 F273 F274 | W86-T270 HydrophobicContact CH2-CG2 3.88Å; W86-T270 WeakPolarHBondContact CH2-OG1 3.47Å; W86-T270 HydrophobicContact CZ2-CG2 4.35Å; F266-T270 WeakPolarHBondContact O-CB 3.38Å; F266-T270 PolarHBondContact O-N 3.34Å; F266-T270 PolarHBondContact O-OG1 3.28Å; L267-T270 WeakPolarHBondContact O-CB 3.43Å; L267-T270 PolarHBondContact O-N 2.58Å; A268-T270 VanDerWaalsContact C-N 3.35Å; A268-T270 PolarHBondContact O-N 2.73Å; T270-F273 PolarHBondContact O-N 3.42Å; T270-F274 HydrophobicContact CG2-CD2 3.79Å; T270-F274 HydrophobicContact CG2-CE2 3.65Å; T270-F274 WeakPolarHBondContact O-CD2 3.34Å; T270-F274 PolarHBondContact O-N 2.8Å; T270-F274 VanDerWaalsContact O-N 3.11Å |
| 271 | G | 88 | Confident | 90.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T105 L267 A268 Y269 T275 | T105-G271 WeakPolarHBondContact OG1-CA 3.36Å; L267-G271 PolarHBondContact O-N 2.9Å; A268-G271 PolarHBondContact O-N 3.18Å; Y269-G271 VanDerWaalsContact C-N 3.34Å; Y269-G271 PolarHBondContact O-N 3Å; G271-T275 PolarHBondContact O-N 2.98Å; G271-T275 PolarHBondContact O-OG1 3.33Å |
| 272 | A | 88.9 | Confident | 90 | Very high | 32 Ų | 32 | 29.1 Ų | 29.1 | 26% | 0.264 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W43 A268 Y269 F274 T275 L276 | W43-A272 HydrophobicContact CH2-CB 4.34Å; W43-A272 HydrophobicContact CZ2-CB 4.45Å; A268-A272 WeakPolarHBondContact O-CB 3.36Å; A268-A272 PolarHBondContact O-N 3.03Å; Y269-A272 PolarHBondContact O-N 3.48Å; A272-F274 PolarHBondContact O-N 3.07Å; A272-T275 PolarHBondContact O-N 3.19Å; A272-L276 WeakPolarHBondContact O-CB 3.4Å; A272-L276 WeakPolarHBondContact O-CG 2.97Å; A272-L276 PolarHBondContact O-N 2.84Å |
| 273 | F | 90.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | -178.5 | -153.2 | -66.3 | 0 | 0 | 0 | 111.5 | W43 M44 T47 W86 M87 V90 Y269 T270 T275 L276 C277 | W43-F273 HydrophobicContact CH2-CB 4.2Å; W43-F273 HydrophobicContact CH2-CD2 4.1Å; W43-F273 HydrophobicContact CH2-CG 4.32Å; W43-F273 HydrophobicContact CZ3-CB 4.45Å; W43-F273 AromaticContact CZ3-CD2 3.97Å; W43-F273 HydrophobicContact CZ3-CD2 3.97Å; W43-F273 HydrophobicContact CZ3-CE2 4.41Å; W43-F273 HydrophobicContact CZ3-CG 4.17Å; M44-F273 HydrophobicContact CB-CE1 4.35Å; M44-F273 HydrophobicContact CB-CE2 4.22Å; M44-F273 HydrophobicContact CB-CZ 3.7Å; M44-F273 HydrophobicContact CG-CE1 4.03Å; M44-F273 HydrophobicContact CG-CE2 4.37Å; M44-F273 HydrophobicContact CG-CZ 3.83Å; M44-F273 WeakPolarHBondContact O-CE2 3.15Å; M44-F273 HydrophobicContact SD-CE1 4.49Å; T47-F273 HydrophobicContact CG2-CD2 3.84Å; T47-F273 HydrophobicContact CG2-CE2 4.34Å; W86-F273 AromaticContact NE1-CD2 3.67Å; W86-F273 AromaticContact NE1-CE2 3.87Å; W86-F273 AromaticContact NE1-CG 3.79Å; M87-F273 HydrophobicContact CE-CE1 4.45Å; M87-F273 HydrophobicContact SD-CE1 3.61Å; M87-F273 HydrophobicContact SD-CZ 3.75Å; V90-F273 HydrophobicContact CB-CD1 4.34Å; V90-F273 HydrophobicContact CB-CE1 4.49Å; V90-F273 HydrophobicContact CG1-CD1 3.81Å; V90-F273 HydrophobicContact CG1-CE1 4.19Å; V90-F273 HydrophobicContact CG2-CD1 4.17Å; Y269-F273 WeakPolarHBondContact O-CB 3.47Å; Y269-F273 PolarHBondContact O-N 2.94Å; T270-F273 PolarHBondContact O-N 3.42Å; F273-T275 VanDerWaalsContact C-N 3.29Å; F273-T275 PolarHBondContact O-N 3.48Å; F273-L276 PolarHBondContact O-N 3.29Å; F273-C277 HydrophobicContact CD1-CB 4.41Å; F273-C277 VanDerWaalsContact O-CB 3.24Å; F273-C277 WeakPolarHBondContact O-CB 3.34Å; F273-C277 PolarHBondContact O-N 3.2Å |
| 274 | F | 86.7 | Confident | 89.1 | Confident | 14 Ų | 14 | 27.9 Ų | 27.9 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -37.5 | 175.3 | -84.6 | -66.3 | 0 | 0 | 0 | 113.4 | V90 V93 A94 I101 T270 A272 C277 | V90-F274 HydrophobicContact CB-CE1 4.06Å; V90-F274 HydrophobicContact CB-CZ 4.32Å; V90-F274 HydrophobicContact CG1-CD1 3.69Å; V90-F274 HydrophobicContact CG1-CE1 3.68Å; V90-F274 HydrophobicContact CG1-CG 4.34Å; V90-F274 HydrophobicContact CG1-CZ 4.33Å; V90-F274 HydrophobicContact CG2-CE1 4.16Å; V90-F274 HydrophobicContact CG2-CE2 4.28Å; V90-F274 HydrophobicContact CG2-CZ 3.95Å; V90-F274 WeakPolarHBondContact O-CE1 3.33Å; V93-F274 HydrophobicContact CB-CE1 3.65Å; V93-F274 HydrophobicContact CB-CZ 3.83Å; V93-F274 HydrophobicContact CG1-CE1 3.61Å; V93-F274 HydrophobicContact CG1-CZ 3.7Å; A94-F274 HydrophobicContact CB-CD1 3.95Å; A94-F274 HydrophobicContact CB-CE1 4.21Å; I101-F274 HydrophobicContact CB-CB 4.46Å; I101-F274 HydrophobicContact CB-CD2 4.49Å; I101-F274 HydrophobicContact CB-CG 4.46Å; I101-F274 HydrophobicContact CD1-CB 3.8Å; I101-F274 HydrophobicContact CD1-CD1 3.1Å; I101-F274 HydrophobicContact CD1-CD2 3.71Å; I101-F274 HydrophobicContact CD1-CE1 3.42Å; I101-F274 VanDerWaalsContact CD1-CE1 3.42Å; I101-F274 HydrophobicContact CD1-CE2 3.99Å; I101-F274 HydrophobicContact CD1-CG 3.26Å; I101-F274 HydrophobicContact CD1-CZ 3.87Å; I101-F274 HydrophobicContact CG1-CD1 4.47Å; I101-F274 HydrophobicContact CG1-CD2 4.43Å; I101-F274 HydrophobicContact CG1-CG 4.32Å; I101-F274 HydrophobicContact CG2-CB 3.68Å; I101-F274 HydrophobicContact CG2-CD2 3.42Å; I101-F274 VanDerWaalsContact CG2-CD2 3.42Å; I101-F274 HydrophobicContact CG2-CE2 4.21Å; I101-F274 HydrophobicContact CG2-CG 3.67Å; T270-F274 HydrophobicContact CG2-CD2 3.79Å; T270-F274 HydrophobicContact CG2-CE2 3.65Å; T270-F274 WeakPolarHBondContact O-CD2 3.34Å; T270-F274 PolarHBondContact O-N 2.8Å; T270-F274 VanDerWaalsContact O-N 3.11Å; A272-F274 PolarHBondContact O-N 3.07Å; F274-C277 PolarHBondContact O-SG 3.47Å |
| 275 | T | 84.1 | Confident | 88.7 | Confident | 66 Ų | 66 | 27.7 Ų | 27.7 | 41% | 0.405 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -71.8 | -45.1 | 178.5 | -55 | 0 | 0 | 0 | 0 | 111.1 | G271 A272 F273 Y278 S279 | G271-T275 PolarHBondContact O-N 2.98Å; G271-T275 PolarHBondContact O-OG1 3.33Å; A272-T275 PolarHBondContact O-N 3.19Å; F273-T275 VanDerWaalsContact C-N 3.29Å; F273-T275 PolarHBondContact O-N 3.48Å; T275-Y278 PolarHBondContact O-N 2.92Å; T275-S279 WeakPolarHBondContact O-CB 3.3Å; T275-S279 PolarHBondContact O-N 3.37Å |
| 276 | L | 88.1 | Confident | 88.1 | Confident | 40 Ų | 40 | 31 Ų | 31 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -82.3 | -16.5 | -174.8 | -65.6 | 177.3 | 0 | 0 | 0 | 113.8 | Y40 W43 M44 A272 F273 Y278 P280 | Y40-L276 HydrophobicContact CD1-CB 4.38Å; Y40-L276 HydrophobicContact CD1-CD1 4.41Å; Y40-L276 HydrophobicContact CD1-CD2 4.16Å; Y40-L276 HydrophobicContact CE1-CD1 4.18Å; Y40-L276 HydrophobicContact CE1-CD2 3.63Å; Y40-L276 HydrophobicContact CE1-CG 4.37Å; W43-L276 HydrophobicContact CD2-CD1 4.26Å; W43-L276 HydrophobicContact CE3-CB 4.24Å; W43-L276 HydrophobicContact CE3-CD1 4.14Å; W43-L276 HydrophobicContact CH2-CB 4.19Å; W43-L276 HydrophobicContact CH2-CD1 3.64Å; W43-L276 HydrophobicContact CH2-CG 4.46Å; W43-L276 HydrophobicContact CZ2-CD1 3.72Å; W43-L276 HydrophobicContact CZ3-CB 3.75Å; W43-L276 HydrophobicContact CZ3-CD1 3.85Å; W43-L276 HydrophobicContact CZ3-CG 4.43Å; M44-L276 WeakPolarHBondContact CE-O 3.49Å; A272-L276 WeakPolarHBondContact O-CB 3.4Å; A272-L276 WeakPolarHBondContact O-CG 2.97Å; A272-L276 PolarHBondContact O-N 2.84Å; F273-L276 PolarHBondContact O-N 3.29Å; L276-Y278 PolarHBondContact O-N 3.44Å; L276-P280 WeakPolarHBondContact O-CD 3.27Å; L276-P280 WeakPolarHBondContact O-CG 3.37Å |
| 277 | C | 88.3 | Confident | 87.4 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69 | -25.9 | 170.6 | 78.1 | 0 | 0 | 0 | 0 | 112.5 | M44 V90 F273 F274 Q313 | M44-C277 HydrophobicContact SD-CB 4.34Å; V90-C277 HydrophobicContact CG1-CB 4.3Å; F273-C277 HydrophobicContact CD1-CB 4.41Å; F273-C277 VanDerWaalsContact O-CB 3.24Å; F273-C277 WeakPolarHBondContact O-CB 3.34Å; F273-C277 PolarHBondContact O-N 3.2Å; F274-C277 PolarHBondContact O-SG 3.47Å; C277-Q313 PolarHBondContact O-NE2 2.81Å |
| 278 | Y | 86 | Confident | 87.1 | Confident | 31 Ų | 31 | 28.4 Ų | 28.4 | 12% | 0.122 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -107.3 | -46.7 | -175.8 | 169.4 | -114.3 | 0 | 0 | 0 | 113.2 | I98 T275 L276 L281 K282 M305 P306 | I98-Y278 HydrophobicContact CD1-CD1 3.23Å; I98-Y278 HydrophobicContact CD1-CE1 3.73Å; I98-Y278 HydrophobicContact CD1-CG 3.84Å; T275-Y278 PolarHBondContact O-N 2.92Å; L276-Y278 PolarHBondContact O-N 3.44Å; Y278-L281 WeakPolarHBondContact O-CB 3.32Å; Y278-L281 PolarHBondContact O-N 3.08Å; Y278-K282 HydrophobicContact CD2-CB 4.19Å; Y278-K282 HydrophobicContact CE1-CB 4.36Å; Y278-K282 HydrophobicContact CE1-CD 3.92Å; Y278-K282 HydrophobicContact CE2-CB 3.74Å; Y278-K282 HydrophobicContact CE2-CD 4.28Å; Y278-K282 HydrophobicContact CE2-CG 4.03Å; Y278-K282 WeakPolarHBondContact O-CB 2.91Å; Y278-K282 PolarHBondContact O-N 3.2Å; Y278-K282 VanDerWaalsContact OH-CD 3.3Å; Y278-K282 WeakPolarHBondContact OH-CD 3.48Å; Y278-K282 WeakPolarHBondContact OH-CE 3.33Å; Y278-M305 HydrophobicContact CD1-CE 4.06Å; Y278-M305 HydrophobicContact CD2-CE 3.26Å; Y278-M305 HydrophobicContact CD2-SD 4.4Å; Y278-M305 HydrophobicContact CE1-CE 4.16Å; Y278-M305 HydrophobicContact CE1-SD 4.46Å; Y278-M305 HydrophobicContact CE2-CE 3.46Å; Y278-M305 VanDerWaalsContact CE2-CE 3.46Å; Y278-M305 HydrophobicContact CE2-SD 4.02Å; Y278-M305 HydrophobicContact CG-CE 3.55Å; Y278-P306 HydrophobicContact CD2-CG 4.3Å; Y278-P306 VanDerWaalsContact CE2-CD 3.47Å; Y278-P306 HydrophobicContact CE2-CG 3.98Å |
| 279 | S | 84.4 | Confident | 86.8 | Confident | 62 Ų | 62 | 28.7 Ų | 28.7 | 43% | 0.434 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56.9 | -50.7 | -168.9 | -178 | 0 | 0 | 0 | 0 | 113.5 | T275 L281 K282 A283 | T275-S279 WeakPolarHBondContact O-CB 3.3Å; T275-S279 PolarHBondContact O-N 3.37Å; S279-L281 PolarHBondContact O-N 3.17Å; S279-K282 PolarHBondContact O-N 3.19Å; S279-A283 WeakPolarHBondContact O-CB 3.4Å; S279-A283 PolarHBondContact O-N 3.49Å |
| 280 | P | 87.2 | Confident | 86.4 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.7 | -36.6 | 177.9 | -18.2 | 33.5 | 0 | 0 | 0 | 112.8 | W36 F37 Y40 L276 A283 I284 | W36-P280 HydrophobicContact CH2-CB 4.04Å; W36-P280 HydrophobicContact CZ3-CB 3.94Å; F37-P280 HydrophobicContact CD2-CB 4.11Å; Y40-P280 HydrophobicContact CD1-CG 3.95Å; Y40-P280 HydrophobicContact CD2-CB 3.56Å; Y40-P280 HydrophobicContact CD2-CG 3.38Å; Y40-P280 HydrophobicContact CE1-CG 4.26Å; Y40-P280 HydrophobicContact CE2-CB 4.07Å; Y40-P280 HydrophobicContact CE2-CG 3.72Å; Y40-P280 HydrophobicContact CG-CB 4.02Å; Y40-P280 HydrophobicContact CG-CG 3.5Å; Y40-P280 VanDerWaalsContact CG-CG 3.5Å; L276-P280 WeakPolarHBondContact O-CD 3.27Å; L276-P280 WeakPolarHBondContact O-CG 3.37Å; P280-A283 PolarHBondContact O-N 2.92Å; P280-I284 WeakPolarHBondContact O-CG2 3.46Å; P280-I284 PolarHBondContact O-N 3.49Å |
| 281 | L | 89.8 | Confident | 86.2 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 177.8 | -176.1 | 67.2 | 0 | 0 | 0 | 111.5 | F37 Y278 S279 I284 I285 A309 M310 | F37-L281 HydrophobicContact CE2-CB 3.96Å; F37-L281 HydrophobicContact CE2-CD1 3.63Å; F37-L281 HydrophobicContact CE2-CG 4.42Å; F37-L281 HydrophobicContact CZ-CD1 3.71Å; Y278-L281 WeakPolarHBondContact O-CB 3.32Å; Y278-L281 PolarHBondContact O-N 3.08Å; S279-L281 PolarHBondContact O-N 3.17Å; L281-I284 WeakPolarHBondContact O-CG2 3.37Å; L281-I285 HydrophobicContact CD1-CD1 3.61Å; L281-I285 HydrophobicContact CD1-CG1 4.32Å; L281-I285 HydrophobicContact CG-CD1 3.89Å; L281-I285 WeakPolarHBondContact O-CB 3.48Å; L281-I285 WeakPolarHBondContact O-CG1 3.2Å; L281-I285 PolarHBondContact O-N 3.34Å; L281-A309 HydrophobicContact CD1-CB 4.19Å; L281-A309 HydrophobicContact CD2-CB 4.04Å; L281-A309 HydrophobicContact CG-CB 4.35Å; L281-M310 HydrophobicContact CD2-CB 4.2Å; L281-M310 HydrophobicContact CD2-CG 3.49Å; L281-M310 VanDerWaalsContact CD2-CG 3.49Å |
| 282 | K | 84.7 | Confident | 86.2 | Confident | 84 Ų | 84 | 32.5 Ų | 32.5 | 37% | 0.365 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 173.9 | -171.3 | -159.6 | -175.2 | -179.4 | 0 | 110.1 | Y278 S279 I284 I285 Q286 | Y278-K282 HydrophobicContact CD2-CB 4.19Å; Y278-K282 HydrophobicContact CE1-CB 4.36Å; Y278-K282 HydrophobicContact CE1-CD 3.92Å; Y278-K282 HydrophobicContact CE2-CB 3.74Å; Y278-K282 HydrophobicContact CE2-CD 4.28Å; Y278-K282 HydrophobicContact CE2-CG 4.03Å; Y278-K282 WeakPolarHBondContact O-CB 2.91Å; Y278-K282 PolarHBondContact O-N 3.2Å; Y278-K282 VanDerWaalsContact OH-CD 3.3Å; Y278-K282 WeakPolarHBondContact OH-CD 3.48Å; Y278-K282 WeakPolarHBondContact OH-CE 3.33Å; S279-K282 PolarHBondContact O-N 3.19Å; K282-I284 VanDerWaalsContact C-N 3.31Å; K282-I284 PolarHBondContact O-N 2.86Å; K282-I285 PolarHBondContact O-N 2.62Å; K282-Q286 HydrophobicContact CG-CG 4.27Å; K282-Q286 VanDerWaalsContact CG-OE1 3.26Å; K282-Q286 VanDerWaalsContact O-CB 3.29Å; K282-Q286 WeakPolarHBondContact O-CB 3.2Å; K282-Q286 PolarHBondContact O-N 3.37Å |
| 283 | A | 83.6 | Confident | 86.3 | Confident | 40 Ų | 40 | 31.9 Ų | 31.9 | 33% | 0.331 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.8 | -41.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | W36 S279 P280 G287 | W36-A283 HydrophobicContact CH2-CB 4.14Å; W36-A283 HydrophobicContact CZ3-CB 3.92Å; S279-A283 WeakPolarHBondContact O-CB 3.4Å; S279-A283 PolarHBondContact O-N 3.49Å; P280-A283 PolarHBondContact O-N 2.92Å; A283-G287 WeakPolarHBondContact O-CA 3.24Å; A283-G287 PolarHBondContact O-N 3.16Å |
| 284 | I | 88.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -75.7 | -41.3 | 179.8 | -163 | 170.3 | 0 | 0 | 0 | 112.8 | T33 F34 F37 P280 L281 K282 T288 W293 | T33-I284 HydrophobicContact CG2-CD1 4.48Å; T33-I284 HydrophobicContact CG2-CG1 4.13Å; F34-I284 HydrophobicContact CB-CD1 4.08Å; F34-I284 HydrophobicContact CD2-CD1 3.69Å; F34-I284 HydrophobicContact CG-CD1 4.23Å; F37-I284 HydrophobicContact CB-CB 4.33Å; F37-I284 HydrophobicContact CB-CD1 3.63Å; F37-I284 HydrophobicContact CB-CG2 4.32Å; F37-I284 HydrophobicContact CD1-CD1 4.16Å; F37-I284 HydrophobicContact CD1-CG2 4.48Å; F37-I284 HydrophobicContact CD2-CG2 3.81Å; F37-I284 HydrophobicContact CE2-CG2 4.23Å; F37-I284 HydrophobicContact CG-CB 4.47Å; F37-I284 HydrophobicContact CG-CD1 3.98Å; F37-I284 HydrophobicContact CG-CG2 3.94Å; P280-I284 WeakPolarHBondContact O-CG2 3.46Å; P280-I284 PolarHBondContact O-N 3.49Å; L281-I284 WeakPolarHBondContact O-CG2 3.37Å; K282-I284 VanDerWaalsContact C-N 3.31Å; K282-I284 PolarHBondContact O-N 2.86Å; I284-T288 HydrophobicContact CG1-CG2 4.39Å; I284-T288 WeakPolarHBondContact O-CB 3.33Å; I284-T288 WeakPolarHBondContact O-CG2 3.11Å; I284-T288 PolarHBondContact O-N 3.16Å; I284-T288 PolarHBondContact O-OG1 3.28Å; I284-W293 HydrophobicContact CD1-CH2 3.96Å; I284-W293 HydrophobicContact CD1-CZ2 4.08Å; I284-W293 HydrophobicContact CG1-CH2 4.1Å; I284-W293 HydrophobicContact CG1-CZ2 3.72Å |
| 285 | I | 87.5 | Confident | 86.2 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.1 | -38.2 | -176.8 | -68.1 | 177.3 | 0 | 0 | 0 | 111.9 | L281 K282 M297 T298 A309 | L281-I285 HydrophobicContact CD1-CD1 3.61Å; L281-I285 HydrophobicContact CD1-CG1 4.32Å; L281-I285 HydrophobicContact CG-CD1 3.89Å; L281-I285 WeakPolarHBondContact O-CB 3.48Å; L281-I285 WeakPolarHBondContact O-CG1 3.2Å; L281-I285 PolarHBondContact O-N 3.34Å; K282-I285 PolarHBondContact O-N 2.62Å; I285-M297 HydrophobicContact CD1-CE 4.21Å; I285-T298 HydrophobicContact CG2-CG2 4.13Å; I285-A309 HydrophobicContact CD1-CB 3.19Å |
| 286 | Q | 81.3 | Confident | 86.4 | Confident | 97 Ų | 97 | 39.8 Ų | 39.8 | 45% | 0.453 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -92.9 | -26.2 | -177.7 | -60.7 | -174.3 | -16.9 | 0 | 0 | 112.7 | K282 | K282-Q286 HydrophobicContact CG-CG 4.27Å; K282-Q286 VanDerWaalsContact CG-OE1 3.26Å; K282-Q286 VanDerWaalsContact O-CB 3.29Å; K282-Q286 WeakPolarHBondContact O-CB 3.2Å; K282-Q286 PolarHBondContact O-N 3.37Å |
| 287 | G | 80.1 | Confident | 86.5 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -85.4 | -6.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y17 A283 | Y17-G287 WeakPolarHBondContact CD1-O 3.29Å; A283-G287 WeakPolarHBondContact O-CA 3.24Å; A283-G287 PolarHBondContact O-N 3.16Å |
| 288 | T | 86.9 | Confident | 86.5 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -118.4 | 156.5 | 177.1 | 65.3 | 0 | 0 | 0 | 0 | 111 | Y17 F30 I284 K290 W293 | Y17-T288 HydrophobicContact CD2-CG2 3.71Å; Y17-T288 HydrophobicContact CE2-CG2 3.91Å; Y17-T288 HydrophobicContact CG-CG2 4.02Å; F30-T288 HydrophobicContact CD2-CG2 4.29Å; I284-T288 HydrophobicContact CG1-CG2 4.39Å; I284-T288 WeakPolarHBondContact O-CB 3.33Å; I284-T288 WeakPolarHBondContact O-CG2 3.11Å; I284-T288 PolarHBondContact O-N 3.16Å; I284-T288 PolarHBondContact O-OG1 3.28Å; T288-K290 PolarHBondContact O-N 3.1Å; T288-W293 PolarHBondContact OG1-NE1 3.02Å |
| 289 | P | 84.3 | Confident | 86.7 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | trans | -49.7 | 129.7 | 178.8 | -29.9 | 33.5 | 0 | 0 | 0 | 112.9 | Y17 A291 L292 | Y17-P289 WeakPolarHBondContact OH-CD 3.04Å; P289-A291 PolarHBondContact O-N 2.76Å; P289-A291 VanDerWaalsContact O-N 3.13Å; P289-L292 HydrophobicContact CB-CD1 4.14Å; P289-L292 HydrophobicContact CG-CD1 4.18Å; P289-L292 WeakPolarHBondContact O-CB 3.47Å; P289-L292 PolarHBondContact O-N 3.11Å | ||
| 290 | K | 84.9 | Confident | 86.9 | Confident | 133 Ų | 133 | 46.4 Ų | 46.4 | 58% | 0.578 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -57.4 | -33.8 | -176.3 | -69.9 | -178.7 | -176.4 | 172.1 | 0 | 112.5 | T288 L292 W293 T298 | T288-K290 PolarHBondContact O-N 3.1Å; K290-L292 PolarHBondContact O-N 2.91Å; K290-L292 VanDerWaalsContact O-N 3.17Å; K290-W293 PolarHBondContact O-N 3.19Å; K290-T298 HydrophobicContact CB-CG2 4.38Å; K290-T298 HydrophobicContact CG-CG2 4.44Å |
| 291 | A | 86.1 | Confident | 87 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -59.5 | -18.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | P289 W293 Y432 W442 | P289-A291 PolarHBondContact O-N 2.76Å; P289-A291 VanDerWaalsContact O-N 3.13Å; A291-W293 VanDerWaalsContact C-N 3.25Å; A291-Y432 HydrophobicContact CB-CD2 4Å; A291-Y432 HydrophobicContact CB-CE2 3.57Å; A291-W442 HydrophobicContact CB-CB 4.37Å; A291-W442 HydrophobicContact CB-CD2 4.28Å; A291-W442 HydrophobicContact CB-CE3 3.5Å; A291-W442 VanDerWaalsContact CB-CE3 3.5Å; A291-W442 HydrophobicContact CB-CZ3 4.06Å |
| 292 | L | 88.5 | Confident | 86.9 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -68.5 | -27.5 | 171.4 | -76.8 | 156.3 | 0 | 0 | 0 | 112.3 | F30 P289 K290 I428 Y429 Y432 | F30-L292 HydrophobicContact CD2-CD1 3.7Å; F30-L292 HydrophobicContact CD2-CD2 4.15Å; F30-L292 HydrophobicContact CE2-CB 4.49Å; F30-L292 HydrophobicContact CE2-CD1 3.86Å; F30-L292 HydrophobicContact CE2-CD2 3.99Å; F30-L292 HydrophobicContact CE2-CG 4.36Å; F30-L292 HydrophobicContact CZ-CD2 4.26Å; P289-L292 HydrophobicContact CB-CD1 4.14Å; P289-L292 HydrophobicContact CG-CD1 4.18Å; P289-L292 WeakPolarHBondContact O-CB 3.47Å; P289-L292 PolarHBondContact O-N 3.11Å; K290-L292 PolarHBondContact O-N 2.91Å; K290-L292 VanDerWaalsContact O-N 3.17Å; L292-I428 HydrophobicContact CD2-CG2 4.39Å; L292-Y429 HydrophobicContact CD2-CD2 4.05Å; L292-Y432 HydrophobicContact CD2-CD1 3.72Å; L292-Y432 HydrophobicContact CD2-CD2 4.14Å; L292-Y432 HydrophobicContact CD2-CE1 4.47Å; L292-Y432 HydrophobicContact CD2-CG 3.52Å; L292-Y432 HydrophobicContact CG-CD1 4.23Å; L292-Y432 HydrophobicContact CG-CD2 4.04Å; L292-Y432 HydrophobicContact CG-CE2 4.43Å; L292-Y432 HydrophobicContact CG-CG 3.93Å |
| 293 | W | 90 | Very high | 86.8 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -106.7 | 148.2 | -170.7 | -53.6 | 102.7 | 0 | 0 | 0 | 111.2 | F30 F34 I284 T288 K290 A291 E295 M297 T298 | F30-W293 HydrophobicContact CE2-CH2 4.14Å; F30-W293 AromaticContact CE2-CZ2 3.78Å; F30-W293 HydrophobicContact CE2-CZ2 3.78Å; F30-W293 HydrophobicContact CZ-CH2 4.25Å; F30-W293 HydrophobicContact CZ-CZ2 4.33Å; F34-W293 AromaticContact CD2-CH2 3.97Å; F34-W293 HydrophobicContact CD2-CH2 3.97Å; F34-W293 AromaticContact CE2-CH2 3.94Å; F34-W293 HydrophobicContact CE2-CH2 3.94Å; F34-W293 HydrophobicContact CE2-CZ3 4.28Å; I284-W293 HydrophobicContact CD1-CH2 3.96Å; I284-W293 HydrophobicContact CD1-CZ2 4.08Å; I284-W293 HydrophobicContact CG1-CH2 4.1Å; I284-W293 HydrophobicContact CG1-CZ2 3.72Å; T288-W293 PolarHBondContact OG1-NE1 3.02Å; K290-W293 PolarHBondContact O-N 3.19Å; A291-W293 VanDerWaalsContact C-N 3.25Å; W293-E295 PolarHBondContact O-N 3.47Å; W293-M297 HydrophobicContact CB-CB 4.37Å; W293-M297 HydrophobicContact CE3-CE 3.68Å; W293-M297 HydrophobicContact CE3-SD 4.21Å; W293-M297 HydrophobicContact CZ3-CE 4.11Å; W293-T298 HydrophobicContact CB-CG2 3.87Å; W293-T298 HydrophobicContact CG-CG2 4.46Å |
| 294 | P | 88.5 | Confident | 86.9 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 43% | 0.429 | 31% | 0.305 | S | S | . | . | trans | -51.9 | 131.8 | 160.4 | -22.3 | 32.1 | 0 | 0 | 0 | 110.1 | P296 M297 | P294-P296 VanDerWaalsContact C-N 3.25Å; P294-P296 VanDerWaalsContact O-N 3.1Å; P294-M297 HydrophobicContact CB-CG 4.38Å; P294-M297 HydrophobicContact CB-SD 4.46Å; P294-M297 HydrophobicContact CG-CG 4.47Å; P294-M297 HydrophobicContact CG-SD 3.91Å; P294-M297 WeakPolarHBondContact O-CB 3.47Å; P294-M297 PolarHBondContact O-N 2.98Å | ||
| 295 | E | 87.2 | Confident | 86.8 | Confident | 124 Ų | 124 | 55.5 Ų | 55.5 | 58% | 0.579 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -47.9 | -40.2 | -179.5 | -164 | -158.9 | 147.7 | 0 | 0 | 113.7 | W293 M297 T298 R299 | W293-E295 PolarHBondContact O-N 3.47Å; E295-M297 PolarHBondContact O-N 3.29Å; E295-T298 PolarHBondContact O-N 3.3Å; E295-T298 VanDerWaalsContact O-N 3.14Å; E295-T298 PolarHBondContact O-OG1 3.36Å; E295-R299 VanDerWaalsContact CD-NH2 3.29Å; E295-R299 IonicContact OE1-CZ 3.41Å; E295-R299 IonicContact OE1-NE 3.3Å; E295-R299 PolarHBondContact OE1-NE 2.47Å; E295-R299 IonicContact OE1-NH2 2.69Å; E295-R299 PolarHBondContact OE1-NH2 3.35Å; E295-R299 IonicContact OE2-NH2 3.54Å |
| 296 | P | 89.7 | Confident | 86.9 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.9 | -28 | 177.5 | -24.9 | 36.4 | 0 | 0 | 0 | 114.5 | P294 T298 I308 | P294-P296 VanDerWaalsContact C-N 3.25Å; P294-P296 VanDerWaalsContact O-N 3.1Å; P296-T298 VanDerWaalsContact C-N 3.3Å; P296-T298 PolarHBondContact O-N 3.02Å; P296-I308 HydrophobicContact CB-CD1 3.89Å; P296-I308 HydrophobicContact CB-CG2 4.09Å; P296-I308 WeakPolarHBondContact O-CB 3.31Å |
| 297 | M | 90 | Very high | 87.4 | Confident | 19 Ų | 19 | 52 Ų | 52 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71 | -26 | 179 | -70.7 | -178.6 | 62.8 | 0 | 0 | 112.8 | I285 W293 P294 E295 A309 M312 | I285-M297 HydrophobicContact CD1-CE 4.21Å; W293-M297 HydrophobicContact CB-CB 4.37Å; W293-M297 HydrophobicContact CE3-CE 3.68Å; W293-M297 HydrophobicContact CE3-SD 4.21Å; W293-M297 HydrophobicContact CZ3-CE 4.11Å; P294-M297 HydrophobicContact CB-CG 4.38Å; P294-M297 HydrophobicContact CB-SD 4.46Å; P294-M297 HydrophobicContact CG-CG 4.47Å; P294-M297 HydrophobicContact CG-SD 3.91Å; P294-M297 WeakPolarHBondContact O-CB 3.47Å; P294-M297 PolarHBondContact O-N 2.98Å; E295-M297 PolarHBondContact O-N 3.29Å; M297-A309 HydrophobicContact CB-CB 4.29Å; M297-A309 HydrophobicContact CE-CB 4.43Å; M297-M312 HydrophobicContact CE-CE 4.4Å; M297-M312 HydrophobicContact CE-SD 4.49Å; M297-M312 HydrophobicContact CG-CE 4.1Å; M297-M312 HydrophobicContact CG-SD 3.4Å; M297-M312 WeakPolarHBondContact CG-SD 3.47Å; M297-M312 HydrophobicContact SD-CE 3.5Å; M297-M312 WeakPolarHBondContact SD-CE 3.35Å; M297-M312 HydrophobicContact SD-SD 3.65Å; M297-M312 VanDerWaalsContact SD-SD 3.65Å |
| 298 | T | 87.9 | Confident | 88 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 22% | 0.221 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -89.3 | -11.6 | -178 | 67.9 | 0 | 0 | 0 | 0 | 112.7 | I285 K290 W293 E295 P296 | I285-T298 HydrophobicContact CG2-CG2 4.13Å; K290-T298 HydrophobicContact CB-CG2 4.38Å; K290-T298 HydrophobicContact CG-CG2 4.44Å; W293-T298 HydrophobicContact CB-CG2 3.87Å; W293-T298 HydrophobicContact CG-CG2 4.46Å; E295-T298 PolarHBondContact O-N 3.3Å; E295-T298 VanDerWaalsContact O-N 3.14Å; E295-T298 PolarHBondContact O-OG1 3.36Å; P296-T298 VanDerWaalsContact C-N 3.3Å; P296-T298 PolarHBondContact O-N 3.02Å |
| 299 | R | 88.9 | Confident | 88.3 | Confident | 132 Ų | 132 | 54.2 Ų | 54.2 | 50% | 0.498 | 30% | 0.3 | S | S | . | . | trans | -74.3 | 133 | -179.4 | -67.6 | -179.3 | -174.3 | 176.9 | 2.3 | 111.9 | E295 | E295-R299 VanDerWaalsContact CD-NH2 3.29Å; E295-R299 IonicContact OE1-CZ 3.41Å; E295-R299 IonicContact OE1-NE 3.3Å; E295-R299 PolarHBondContact OE1-NE 2.47Å; E295-R299 IonicContact OE1-NH2 2.69Å; E295-R299 PolarHBondContact OE1-NH2 3.35Å; E295-R299 IonicContact OE2-NH2 3.54Å | ||
| 300 | L | 89.5 | Confident | 88.8 | Confident | 87 Ų | 87 | 53.1 Ų | 53.1 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | trans | -95.5 | 143.5 | 175.2 | -55.4 | -178.3 | 0 | 0 | 0 | 110.6 | P306 | L300-P306 HydrophobicContact CD2-CB 3.92Å; L300-P306 HydrophobicContact CD2-CG 4.49Å | ||
| 301 | N | 89.3 | Confident | 89.3 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | trans | -80.7 | 179.9 | 172 | 73.3 | 7.8 | 0 | 0 | 0 | 111.5 | S95 M303 G304 M305 | S95-N301 PolarHBondContact O-ND2 3.23Å; N301-M303 PolarHBondContact O-N 3.35Å; N301-M303 WeakPolarHBondContact OD1-CA 3.45Å; N301-M303 WeakPolarHBondContact OD1-CB 3.47Å; N301-M303 PolarHBondContact OD1-N 3.06Å; N301-G304 PolarHBondContact O-N 3.4Å; N301-G304 PolarHBondContact OD1-N 3.45Å; N301-M305 VanDerWaalsContact CG-O 3.31Å; N301-M305 PolarHBondContact N-O 2.92Å; N301-M305 WeakPolarHBondContact OD1-CB 3.17Å; N301-M305 PolarHBondContact OD1-N 2.96Å; N301-M305 PolarHBondContact OD1-O 3.34Å | ||
| 302 | A | 86.9 | Confident | 89.7 | Confident | 111 Ų | 111 | 56.6 Ų | 56.6 | 92% | 0.917 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -19.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 303 | M | 84.3 | Confident | 90 | Very high | 120 Ų | 120 | 56.4 Ų | 56.4 | 59% | 0.591 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 7.9 | 177.5 | -56.4 | -57.7 | -70.5 | 0 | 0 | 112.7 | K96 N301 M305 | K96-M303 WeakPolarHBondContact O-CE 3.22Å; N301-M303 PolarHBondContact O-N 3.35Å; N301-M303 WeakPolarHBondContact OD1-CA 3.45Å; N301-M303 WeakPolarHBondContact OD1-CB 3.47Å; N301-M303 PolarHBondContact OD1-N 3.06Å; M303-M305 VanDerWaalsContact C-N 3.29Å; M303-M305 HydrophobicContact CB-CG 4.23Å; M303-M305 PolarHBondContact O-N 3.11Å |
| 304 | G | 84.8 | Confident | 90.3 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 34% | 0.34 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 74.3 | 15.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N301 | N301-G304 PolarHBondContact O-N 3.4Å; N301-G304 PolarHBondContact OD1-N 3.45Å |
| 305 | M | 86 | Confident | 90.7 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.044 | 30% | 0.299 | C | S | . | . | trans | -101.4 | 137.2 | -176.2 | -57.8 | -59.4 | -65.3 | 0 | 0 | 111.5 | I98 Y278 N301 M303 S307 M310 | I98-M305 HydrophobicContact CD1-CE 4.04Å; I98-M305 HydrophobicContact CG1-CE 4.15Å; Y278-M305 HydrophobicContact CD1-CE 4.06Å; Y278-M305 HydrophobicContact CD2-CE 3.26Å; Y278-M305 HydrophobicContact CD2-SD 4.4Å; Y278-M305 HydrophobicContact CE1-CE 4.16Å; Y278-M305 HydrophobicContact CE1-SD 4.46Å; Y278-M305 HydrophobicContact CE2-CE 3.46Å; Y278-M305 VanDerWaalsContact CE2-CE 3.46Å; Y278-M305 HydrophobicContact CE2-SD 4.02Å; Y278-M305 HydrophobicContact CG-CE 3.55Å; N301-M305 VanDerWaalsContact CG-O 3.31Å; N301-M305 PolarHBondContact N-O 2.92Å; N301-M305 WeakPolarHBondContact OD1-CB 3.17Å; N301-M305 PolarHBondContact OD1-N 2.96Å; N301-M305 PolarHBondContact OD1-O 3.34Å; M303-M305 VanDerWaalsContact C-N 3.29Å; M303-M305 HydrophobicContact CB-CG 4.23Å; M303-M305 PolarHBondContact O-N 3.11Å; M305-S307 PolarHBondContact O-N 3.48Å; M305-M310 HydrophobicContact CB-SD 4.31Å; M305-M310 HydrophobicContact CE-CE 4.33Å; M305-M310 HydrophobicContact CE-SD 4.04Å | ||
| 306 | P | 89.8 | Confident | 91.1 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | trans | -76.8 | 65 | 176.9 | 33.8 | -36 | 0 | 0 | 0 | 110.9 | Y278 L300 I308 A309 M310 | Y278-P306 HydrophobicContact CD2-CG 4.3Å; Y278-P306 VanDerWaalsContact CE2-CD 3.47Å; Y278-P306 HydrophobicContact CE2-CG 3.98Å; L300-P306 HydrophobicContact CD2-CB 3.92Å; L300-P306 HydrophobicContact CD2-CG 4.49Å; P306-I308 VanDerWaalsContact C-N 3.33Å; P306-I308 PolarHBondContact O-N 2.86Å; P306-A309 HydrophobicContact CB-CB 4.25Å; P306-A309 WeakPolarHBondContact O-CB 3.27Å; P306-A309 PolarHBondContact O-N 3.3Å; P306-A309 VanDerWaalsContact O-N 3.1Å; P306-M310 HydrophobicContact CG-CG 4.47Å; P306-M310 WeakPolarHBondContact O-CG 3.22Å; P306-M310 PolarHBondContact O-N 3.45Å | ||
| 307 | S | 90.8 | Very high | 91.4 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.9 | -39 | -168.5 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | M305 M310 W311 | M305-S307 PolarHBondContact O-N 3.48Å; S307-M310 WeakPolarHBondContact O-CB 3.17Å; S307-M310 PolarHBondContact O-N 3.1Å; S307-W311 PolarHBondContact O-N 3.46Å |
| 308 | I | 93.5 | Very high | 91.7 | Very high | 71 Ų | 71 | 48 Ų | 48 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 178.2 | -64.6 | 177.1 | 0 | 0 | 0 | 110.4 | P296 P306 M310 W311 M312 | P296-I308 HydrophobicContact CB-CD1 3.89Å; P296-I308 HydrophobicContact CB-CG2 4.09Å; P296-I308 WeakPolarHBondContact O-CB 3.31Å; P306-I308 VanDerWaalsContact C-N 3.33Å; P306-I308 PolarHBondContact O-N 2.86Å; I308-M310 VanDerWaalsContact C-N 3.29Å; I308-M310 PolarHBondContact O-N 3.43Å; I308-W311 PolarHBondContact O-N 3.02Å; I308-M312 HydrophobicContact CG2-SD 4.29Å; I308-M312 WeakPolarHBondContact O-CG 3.43Å; I308-M312 PolarHBondContact O-N 3.48Å |
| 309 | A | 93.6 | Very high | 92 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L281 I285 M297 P306 W311 M312 Q313 | L281-A309 HydrophobicContact CD1-CB 4.19Å; L281-A309 HydrophobicContact CD2-CB 4.04Å; L281-A309 HydrophobicContact CG-CB 4.35Å; I285-A309 HydrophobicContact CD1-CB 3.19Å; M297-A309 HydrophobicContact CB-CB 4.29Å; M297-A309 HydrophobicContact CE-CB 4.43Å; P306-A309 HydrophobicContact CB-CB 4.25Å; P306-A309 WeakPolarHBondContact O-CB 3.27Å; P306-A309 PolarHBondContact O-N 3.3Å; P306-A309 VanDerWaalsContact O-N 3.1Å; A309-W311 VanDerWaalsContact C-N 3.35Å; A309-M312 PolarHBondContact O-N 3.32Å; A309-Q313 WeakPolarHBondContact O-CB 3.35Å; A309-Q313 PolarHBondContact O-N 2.95Å |
| 310 | M | 93.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 175 | -64.9 | 172.6 | 72.1 | 0 | 0 | 111.6 | T91 A94 L281 M305 P306 S307 I308 Q313 C314 | T91-M310 HydrophobicContact CG2-CB 4.25Å; A94-M310 HydrophobicContact CB-CE 3.37Å; L281-M310 HydrophobicContact CD2-CB 4.2Å; L281-M310 HydrophobicContact CD2-CG 3.49Å; L281-M310 VanDerWaalsContact CD2-CG 3.49Å; M305-M310 HydrophobicContact CB-SD 4.31Å; M305-M310 HydrophobicContact CE-CE 4.33Å; M305-M310 HydrophobicContact CE-SD 4.04Å; P306-M310 HydrophobicContact CG-CG 4.47Å; P306-M310 WeakPolarHBondContact O-CG 3.22Å; P306-M310 PolarHBondContact O-N 3.45Å; S307-M310 WeakPolarHBondContact O-CB 3.17Å; S307-M310 PolarHBondContact O-N 3.1Å; I308-M310 VanDerWaalsContact C-N 3.29Å; I308-M310 PolarHBondContact O-N 3.43Å; M310-Q313 WeakPolarHBondContact O-CB 3.22Å; M310-Q313 PolarHBondContact O-N 3.43Å; M310-C314 WeakPolarHBondContact O-CB 3.27Å; M310-C314 PolarHBondContact O-N 3.25Å |
| 311 | W | 95.6 | Very high | 92.4 | Very high | 116 Ų | 116 | 41.5 Ų | 41.5 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.7 | -36.9 | 174.4 | -79.7 | 113.4 | 0 | 0 | 0 | 112.9 | I88 T91 V92 S307 I308 A309 C314 G315 | I88-W311 HydrophobicContact CG2-CH2 4.28Å; I88-W311 HydrophobicContact CG2-CZ3 4.42Å; T91-W311 HydrophobicContact CG2-CD2 3.64Å; T91-W311 HydrophobicContact CG2-CE3 3.81Å; T91-W311 HydrophobicContact CG2-CG 4.1Å; T91-W311 HydrophobicContact CG2-CH2 4.34Å; T91-W311 HydrophobicContact CG2-CZ2 4.18Å; T91-W311 HydrophobicContact CG2-CZ3 4.16Å; V92-W311 HydrophobicContact CG2-CH2 3.61Å; V92-W311 HydrophobicContact CG2-CZ2 3.71Å; S307-W311 PolarHBondContact O-N 3.46Å; I308-W311 PolarHBondContact O-N 3.02Å; A309-W311 VanDerWaalsContact C-N 3.35Å; W311-C314 HydrophobicContact CE3-CB 4.26Å; W311-C314 WeakPolarHBondContact O-CB 3.5Å; W311-C314 PolarHBondContact O-N 3.42Å; W311-G315 PolarHBondContact O-N 3.37Å |
| 312 | M | 95 | Very high | 92.7 | Very high | 97 Ų | 97 | 42.2 Ų | 42.2 | 48% | 0.478 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 172.5 | -70.6 | 178.9 | 65.2 | 0 | 0 | 111.5 | M297 I308 A309 C314 G315 L316 | M297-M312 HydrophobicContact CE-CE 4.4Å; M297-M312 HydrophobicContact CE-SD 4.49Å; M297-M312 HydrophobicContact CG-CE 4.1Å; M297-M312 HydrophobicContact CG-SD 3.4Å; M297-M312 WeakPolarHBondContact CG-SD 3.47Å; M297-M312 HydrophobicContact SD-CE 3.5Å; M297-M312 WeakPolarHBondContact SD-CE 3.35Å; M297-M312 HydrophobicContact SD-SD 3.65Å; M297-M312 VanDerWaalsContact SD-SD 3.65Å; I308-M312 HydrophobicContact CG2-SD 4.29Å; I308-M312 WeakPolarHBondContact O-CG 3.43Å; I308-M312 PolarHBondContact O-N 3.48Å; A309-M312 PolarHBondContact O-N 3.32Å; M312-C314 VanDerWaalsContact C-N 3.34Å; M312-C314 PolarHBondContact O-N 2.91Å; M312-G315 PolarHBondContact O-N 2.82Å; M312-L316 PolarHBondContact O-N 3.4Å |
| 313 | Q | 95 | Very high | 92.9 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 171.6 | 178.6 | 177.2 | -73.9 | 0 | 0 | 111.3 | F37 I41 M44 C277 A309 M310 G315 L316 V317 | F37-Q313 VanDerWaalsContact CE2-OE1 3.26Å; I41-Q313 HydrophobicContact CD1-CG 3.51Å; M44-Q313 HydrophobicContact SD-CG 4.41Å; M44-Q313 PolarHBondContact SD-NE2 2.98Å; M44-Q313 VanDerWaalsContact SD-NE2 3.4Å; C277-Q313 PolarHBondContact O-NE2 2.81Å; A309-Q313 WeakPolarHBondContact O-CB 3.35Å; A309-Q313 PolarHBondContact O-N 2.95Å; M310-Q313 WeakPolarHBondContact O-CB 3.22Å; M310-Q313 PolarHBondContact O-N 3.43Å; Q313-G315 VanDerWaalsContact C-N 3.33Å; Q313-G315 PolarHBondContact O-N 3.26Å; Q313-L316 PolarHBondContact O-N 2.88Å; Q313-V317 HydrophobicContact CG-CG2 4.34Å; Q313-V317 WeakPolarHBondContact O-CB 3.22Å; Q313-V317 VanDerWaalsContact O-CG2 3.3Å; Q313-V317 WeakPolarHBondContact O-CG2 3.29Å; Q313-V317 PolarHBondContact O-N 3.08Å |
| 314 | C | 96.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.4 | -45.3 | 175.8 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | M87 T91 M310 W311 M312 T318 | M87-C314 HydrophobicContact CE-CB 4.2Å; M87-C314 HydrophobicContact CG-CB 4.4Å; T91-C314 HydrophobicContact CG2-CB 4.08Å; T91-C314 WeakPolarHBondContact OG1-CB 3.26Å; T91-C314 PolarHBondContact OG1-SG 3.34Å; T91-C314 VanDerWaalsContact OG1-SG 3.39Å; M310-C314 WeakPolarHBondContact O-CB 3.27Å; M310-C314 PolarHBondContact O-N 3.25Å; W311-C314 HydrophobicContact CE3-CB 4.26Å; W311-C314 WeakPolarHBondContact O-CB 3.5Å; W311-C314 PolarHBondContact O-N 3.42Å; M312-C314 VanDerWaalsContact C-N 3.34Å; M312-C314 PolarHBondContact O-N 2.91Å; C314-T318 VanDerWaalsContact O-CB 3.28Å; C314-T318 WeakPolarHBondContact O-CB 3.32Å; C314-T318 PolarHBondContact O-N 3.14Å; C314-T318 PolarHBondContact O-OG1 3.36Å |
| 315 | G | 97 | Very high | 93.4 | Very high | 33 Ų | 33 | 34.7 Ų | 34.7 | 34% | 0.34 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W311 M312 Q313 T318 I319 | W311-G315 PolarHBondContact O-N 3.37Å; M312-G315 PolarHBondContact O-N 2.82Å; Q313-G315 VanDerWaalsContact C-N 3.33Å; Q313-G315 PolarHBondContact O-N 3.26Å; G315-T318 WeakPolarHBondContact O-CB 3.33Å; G315-T318 PolarHBondContact O-N 2.85Å; G315-I319 WeakPolarHBondContact O-CG1 3.45Å; G315-I319 PolarHBondContact O-N 2.9Å |
| 316 | L | 94.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 38.9 Ų | 38.9 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -49.5 | 177.7 | -176.8 | 63.4 | 0 | 0 | 0 | 112 | I41 M312 Q313 T318 I319 F320 F421 | I41-L316 HydrophobicContact CG2-CD2 4.31Å; I41-L316 HydrophobicContact CG2-CG 4.42Å; M312-L316 PolarHBondContact O-N 3.4Å; Q313-L316 PolarHBondContact O-N 2.88Å; L316-T318 VanDerWaalsContact C-N 3.28Å; L316-T318 PolarHBondContact O-N 3.12Å; L316-I319 PolarHBondContact O-N 3.37Å; L316-F320 HydrophobicContact CD1-CD2 4.23Å; L316-F320 HydrophobicContact CD1-CE2 3.85Å; L316-F320 HydrophobicContact CG-CD2 4.31Å; L316-F320 HydrophobicContact CG-CE2 4.2Å; L316-F320 WeakPolarHBondContact O-CD2 3.17Å; L316-F320 PolarHBondContact O-N 2.83Å; L316-F421 HydrophobicContact CD2-CE1 4.09Å; L316-F421 HydrophobicContact CD2-CZ 4.5Å |
| 317 | V | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.7 | -42.1 | 176.1 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | I41 M44 V45 M87 Q313 I319 F320 I321 | I41-V317 HydrophobicContact CD1-CG2 4.19Å; I41-V317 HydrophobicContact CG2-CG2 3.86Å; M44-V317 HydrophobicContact CB-CG1 4.22Å; M44-V317 HydrophobicContact CB-CG2 4.11Å; M44-V317 HydrophobicContact SD-CG2 4.28Å; V45-V317 HydrophobicContact CG2-CG1 3.96Å; M87-V317 HydrophobicContact CE-CG2 4.47Å; M87-V317 HydrophobicContact CG-CB 4.25Å; M87-V317 HydrophobicContact CG-CG1 3.91Å; M87-V317 HydrophobicContact SD-CB 4.28Å; M87-V317 HydrophobicContact SD-CG1 3.84Å; Q313-V317 HydrophobicContact CG-CG2 4.34Å; Q313-V317 WeakPolarHBondContact O-CB 3.22Å; Q313-V317 VanDerWaalsContact O-CG2 3.3Å; Q313-V317 WeakPolarHBondContact O-CG2 3.29Å; Q313-V317 PolarHBondContact O-N 3.08Å; V317-I319 PolarHBondContact O-N 2.82Å; V317-F320 PolarHBondContact O-N 2.92Å; V317-I321 HydrophobicContact CG1-CD1 3.65Å; V317-I321 HydrophobicContact CG1-CG1 4.19Å; V317-I321 VanDerWaalsContact O-CG1 3.31Å; V317-I321 WeakPolarHBondContact O-CG1 3.27Å; V317-I321 PolarHBondContact O-N 2.86Å |
| 318 | T | 97 | Very high | 92.7 | Very high | 27 Ų | 27 | 41.7 Ų | 41.7 | 17% | 0.166 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 177.7 | -63 | 0 | 0 | 0 | 0 | 111.8 | V84 C314 G315 L316 F320 I321 L322 | V84-T318 HydrophobicContact CB-CG2 4.44Å; V84-T318 HydrophobicContact CG1-CG2 3.68Å; V84-T318 HydrophobicContact CG2-CG2 3.87Å; C314-T318 VanDerWaalsContact O-CB 3.28Å; C314-T318 WeakPolarHBondContact O-CB 3.32Å; C314-T318 PolarHBondContact O-N 3.14Å; C314-T318 PolarHBondContact O-OG1 3.36Å; G315-T318 WeakPolarHBondContact O-CB 3.33Å; G315-T318 PolarHBondContact O-N 2.85Å; L316-T318 VanDerWaalsContact C-N 3.28Å; L316-T318 PolarHBondContact O-N 3.12Å; T318-F320 PolarHBondContact O-N 3.08Å; T318-I321 PolarHBondContact O-N 2.86Å; T318-L322 HydrophobicContact CG2-CD1 3.99Å; T318-L322 HydrophobicContact CG2-CG 4.39Å; T318-L322 VanDerWaalsContact O-CG 3.32Å; T318-L322 WeakPolarHBondContact O-CG 3.47Å; T318-L322 PolarHBondContact O-N 2.81Å |
| 319 | I | 94.8 | Very high | 91.9 | Very high | 98 Ų | 98 | 41 Ų | 41 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.8 | -48.6 | 176.7 | -68.3 | 164.2 | 0 | 0 | 0 | 110.3 | G315 L316 V317 I321 L322 L323 | G315-I319 WeakPolarHBondContact O-CG1 3.45Å; G315-I319 PolarHBondContact O-N 2.9Å; L316-I319 PolarHBondContact O-N 3.37Å; V317-I319 PolarHBondContact O-N 2.82Å; I319-I321 PolarHBondContact O-N 3.45Å; I319-L322 PolarHBondContact O-N 3.42Å; I319-L323 HydrophobicContact CG2-CD1 3.82Å; I319-L323 HydrophobicContact CG2-CG 4.3Å; I319-L323 VanDerWaalsContact O-CG 3.26Å; I319-L323 WeakPolarHBondContact O-CG 3.28Å; I319-L323 PolarHBondContact O-N 3.23Å |
| 320 | F | 92.6 | Very high | 91.4 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 178 | -83.4 | -79.2 | 0 | 0 | 0 | 112.9 | I42 V45 L316 V317 T318 L322 L323 V324 F420 F421 | I42-F320 HydrophobicContact CD1-CD1 4.36Å; I42-F320 HydrophobicContact CD1-CE1 4.38Å; V45-F320 HydrophobicContact CG1-CB 4.21Å; V45-F320 HydrophobicContact CG2-CB 3.5Å; V45-F320 HydrophobicContact CG2-CG 4.37Å; L316-F320 HydrophobicContact CD1-CD2 4.23Å; L316-F320 HydrophobicContact CD1-CE2 3.85Å; L316-F320 HydrophobicContact CG-CD2 4.31Å; L316-F320 HydrophobicContact CG-CE2 4.2Å; L316-F320 WeakPolarHBondContact O-CD2 3.17Å; L316-F320 PolarHBondContact O-N 2.83Å; V317-F320 PolarHBondContact O-N 2.92Å; T318-F320 PolarHBondContact O-N 3.08Å; F320-L322 VanDerWaalsContact C-N 3.33Å; F320-L322 PolarHBondContact O-N 3.03Å; F320-L323 PolarHBondContact O-N 2.9Å; F320-V324 WeakPolarHBondContact O-CG2 3.37Å; F320-V324 PolarHBondContact O-N 2.93Å; F320-F420 HydrophobicContact CE2-CE1 4.32Å; F320-F420 AromaticContact CZ-CD1 3.95Å; F320-F420 HydrophobicContact CZ-CD1 3.95Å; F320-F420 HydrophobicContact CZ-CE1 4.14Å; F320-F421 HydrophobicContact CE2-CE1 4.45Å; F320-F421 HydrophobicContact CE2-CE2 4.21Å; F320-F421 AromaticContact CE2-CZ 3.63Å; F320-F421 HydrophobicContact CE2-CZ 3.63Å; F320-F421 AromaticContact CZ-CE2 3.94Å; F320-F421 HydrophobicContact CZ-CE2 3.94Å; F320-F421 AromaticContact CZ-CZ 3.81Å; F320-F421 HydrophobicContact CZ-CZ 3.81Å |
| 321 | I | 94.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 176.1 | -69.9 | 166.9 | 0 | 0 | 0 | 110 | V45 S48 G80 A83 V84 V317 T318 I319 V324 S325 | V45-I321 HydrophobicContact CB-CG1 4.34Å; V45-I321 HydrophobicContact CG1-CG1 3.96Å; V45-I321 HydrophobicContact CG2-CG1 4.33Å; S48-I321 VanDerWaalsContact OG-CD1 3.27Å; S48-I321 WeakPolarHBondContact OG-CD1 3.44Å; G80-I321 VanDerWaalsContact O-CG2 3.24Å; G80-I321 WeakPolarHBondContact O-CG2 3.37Å; A83-I321 HydrophobicContact CB-CD1 4.09Å; A83-I321 HydrophobicContact CB-CG2 3.87Å; V84-I321 HydrophobicContact CG2-CB 4.15Å; V84-I321 HydrophobicContact CG2-CD1 4.46Å; V84-I321 HydrophobicContact CG2-CG2 3.72Å; V317-I321 HydrophobicContact CG1-CD1 3.65Å; V317-I321 HydrophobicContact CG1-CG1 4.19Å; V317-I321 VanDerWaalsContact O-CG1 3.31Å; V317-I321 WeakPolarHBondContact O-CG1 3.27Å; V317-I321 PolarHBondContact O-N 2.86Å; T318-I321 PolarHBondContact O-N 2.86Å; I319-I321 PolarHBondContact O-N 3.45Å; I321-V324 PolarHBondContact O-N 3.18Å; I321-S325 WeakPolarHBondContact O-CB 3.36Å; I321-S325 PolarHBondContact O-N 2.89Å; I321-S325 PolarHBondContact O-OG 3.29Å |
| 322 | L | 94 | Very high | 90.1 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 33% | 0.33 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | -179.6 | -68.5 | 174.4 | 0 | 0 | 0 | 111.5 | L81 V84 T318 I319 F320 V324 S325 F326 | L81-L322 HydrophobicContact CD2-CD2 4.17Å; V84-L322 HydrophobicContact CG2-CD2 4.14Å; V84-L322 HydrophobicContact CG2-CG 4.24Å; T318-L322 HydrophobicContact CG2-CD1 3.99Å; T318-L322 HydrophobicContact CG2-CG 4.39Å; T318-L322 VanDerWaalsContact O-CG 3.32Å; T318-L322 WeakPolarHBondContact O-CG 3.47Å; T318-L322 PolarHBondContact O-N 2.81Å; I319-L322 PolarHBondContact O-N 3.42Å; F320-L322 VanDerWaalsContact C-N 3.33Å; F320-L322 PolarHBondContact O-N 3.03Å; L322-V324 PolarHBondContact O-N 2.86Å; L322-S325 PolarHBondContact O-N 2.79Å; L322-F326 HydrophobicContact CD2-CD2 4.23Å; L322-F326 HydrophobicContact CD2-CE2 3.79Å; L322-F326 WeakPolarHBondContact O-CB 3.36Å; L322-F326 VanDerWaalsContact O-CD2 3.31Å; L322-F326 WeakPolarHBondContact O-CD2 3.49Å; L322-F326 PolarHBondContact O-N 2.78Å |
| 323 | L | 91.1 | Very high | 89.5 | Confident | 95 Ų | 95 | 38.4 Ų | 38.4 | 50% | 0.497 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 178.3 | -69.6 | 171.6 | 0 | 0 | 0 | 112.2 | I319 F320 G327 W413 | I319-L323 HydrophobicContact CG2-CD1 3.82Å; I319-L323 HydrophobicContact CG2-CG 4.3Å; I319-L323 VanDerWaalsContact O-CG 3.26Å; I319-L323 WeakPolarHBondContact O-CG 3.28Å; I319-L323 PolarHBondContact O-N 3.23Å; F320-L323 PolarHBondContact O-N 2.9Å; L323-G327 PolarHBondContact O-N 2.69Å; L323-G327 VanDerWaalsContact O-N 3.12Å; L323-W413 HydrophobicContact CB-CH2 3.84Å |
| 324 | V | 89.5 | Confident | 89.1 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.2 | -39.8 | -179.6 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | F320 I321 L322 G327 F334 L338 M341 W413 | F320-V324 WeakPolarHBondContact O-CG2 3.37Å; F320-V324 PolarHBondContact O-N 2.93Å; I321-V324 PolarHBondContact O-N 3.18Å; L322-V324 PolarHBondContact O-N 2.86Å; V324-G327 PolarHBondContact O-N 2.86Å; V324-F334 HydrophobicContact CG1-CD2 4.11Å; V324-F334 HydrophobicContact CG1-CE2 3.95Å; V324-L338 HydrophobicContact CG1-CD2 3.8Å; V324-L338 HydrophobicContact CG1-CG 4.35Å; V324-M341 HydrophobicContact CG2-CE 4.15Å; V324-M341 HydrophobicContact CG2-SD 4.37Å; V324-W413 HydrophobicContact CG2-CD2 4.26Å; V324-W413 HydrophobicContact CG2-CE3 3.95Å; V324-W413 HydrophobicContact CG2-CH2 3.78Å; V324-W413 HydrophobicContact CG2-CZ2 4.08Å; V324-W413 HydrophobicContact CG2-CZ3 3.71Å |
| 325 | S | 91.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.7 | -30.6 | -175.9 | -52.7 | 0 | 0 | 0 | 0 | 113.1 | G80 I321 L322 | G80-S325 WeakPolarHBondContact CA-OG 3.47Å; I321-S325 WeakPolarHBondContact O-CB 3.36Å; I321-S325 PolarHBondContact O-N 2.89Å; I321-S325 PolarHBondContact O-OG 3.29Å; L322-S325 PolarHBondContact O-N 2.79Å |
| 326 | F | 90.4 | Very high | 88.1 | Confident | 97 Ų | 97 | 38.8 Ų | 38.8 | 43% | 0.425 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -94.4 | -2.9 | 175.6 | -72.6 | -99.7 | 0 | 0 | 0 | 113.4 | L73 Q77 L81 L322 G328 | L73-F326 HydrophobicContact CD2-CE1 4.49Å; Q77-F326 HydrophobicContact CB-CE1 4.29Å; Q77-F326 HydrophobicContact CB-CZ 4.19Å; Q77-F326 HydrophobicContact CG-CD1 3.96Å; Q77-F326 HydrophobicContact CG-CE1 3.97Å; Q77-F326 HydrophobicContact CG-CG 4.28Å; Q77-F326 HydrophobicContact CG-CZ 4.3Å; L81-F326 HydrophobicContact CD2-CE2 4.43Å; L322-F326 HydrophobicContact CD2-CD2 4.23Å; L322-F326 HydrophobicContact CD2-CE2 3.79Å; L322-F326 WeakPolarHBondContact O-CB 3.36Å; L322-F326 VanDerWaalsContact O-CD2 3.31Å; L322-F326 WeakPolarHBondContact O-CD2 3.49Å; L322-F326 PolarHBondContact O-N 2.78Å; F326-G328 PolarHBondContact O-N 2.94Å |
| 327 | G | 83.7 | Confident | 87.8 | Confident | 49 Ų | 49 | 37.6 Ų | 37.6 | 51% | 0.505 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -68.4 | -8.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L323 V324 | L323-G327 PolarHBondContact O-N 2.69Å; L323-G327 VanDerWaalsContact O-N 3.12Å; V324-G327 PolarHBondContact O-N 2.86Å |
| 328 | G | 77.4 | Confident | 87.5 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | trans | 83.6 | -178.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | F326 | F326-G328 PolarHBondContact O-N 2.94Š| ||
| 329 | G | 77.8 | Confident | 87.1 | Confident | 56 Ų | 56 | 36.9 Ų | 36.9 | 58% | 0.577 | 24% | 0.235 | S | C | * | . | trans | 100.6 | 174.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 330 | T | 81.5 | Confident | 86.9 | Confident | 92 Ų | 92 | 33.3 Ų | 33.3 | 56% | 0.564 | 22% | 0.217 | S | C | * | . | trans | -75.3 | 160.4 | 179.5 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | S332 A333 F334 | T330-S332 PolarHBondContact O-N 3.36Å; T330-A333 PolarHBondContact O-N 3.43Å; T330-A333 WeakPolarHBondContact OG1-CB 3.49Å; T330-A333 PolarHBondContact OG1-N 2.97Å; T330-F334 WeakPolarHBondContact O-CB 3.27Å; T330-F334 PolarHBondContact O-N 3.33Å | ||
| 331 | A | 80.2 | Confident | 86.7 | Confident | 16 Ų | 16 | 32.5 Ų | 32.5 | 13% | 0.132 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.6 | -36 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q66 F334 F335 | Q66-A331 HydrophobicContact CB-CB 4.03Å; Q66-A331 HydrophobicContact CG-CB 3.63Å; A331-F334 WeakPolarHBondContact O-CB 3.33Å; A331-F334 PolarHBondContact O-N 2.95Å; A331-F335 WeakPolarHBondContact O-CD2 3.44Å; A331-F335 PolarHBondContact O-N 2.9Å |
| 332 | S | 81.6 | Confident | 86.5 | Confident | 27 Ų | 27 | 32.5 Ų | 32.5 | 19% | 0.189 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -48.9 | 174.8 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | N223 T330 F334 F335 N336 | N223-S332 WeakPolarHBondContact CB-OG 3.34Å; T330-S332 PolarHBondContact O-N 3.36Å; S332-F334 VanDerWaalsContact C-N 3.3Å; S332-F334 PolarHBondContact O-N 3.03Å; S332-F335 PolarHBondContact O-N 3.32Å; S332-N336 VanDerWaalsContact O-CB 3.31Å; S332-N336 WeakPolarHBondContact O-CB 3.34Å; S332-N336 PolarHBondContact O-N 3.16Å; S332-N336 PolarHBondContact O-ND2 2.84Å; S332-N336 PolarHBondContact O-OD1 3.44Å |
| 333 | A | 83.4 | Confident | 86.3 | Confident | 28 Ų | 28 | 29.8 Ų | 29.8 | 23% | 0.231 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T330 N336 K337 | T330-A333 PolarHBondContact O-N 3.43Å; T330-A333 WeakPolarHBondContact OG1-CB 3.49Å; T330-A333 PolarHBondContact OG1-N 2.97Å; A333-N336 PolarHBondContact O-N 3.24Å; A333-K337 WeakPolarHBondContact O-CB 3.23Å; A333-K337 WeakPolarHBondContact O-CD 3.44Å; A333-K337 WeakPolarHBondContact O-CG 3.18Å; A333-K337 PolarHBondContact O-N 2.94Å |
| 334 | F | 87 | Confident | 86.3 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 2% | 0.022 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.2 | -53.8 | 176.9 | 172.5 | -102.7 | 0 | 0 | 0 | 112.6 | A49 T76 V79 V324 T330 A331 S332 N336 K337 L338 | A49-F334 HydrophobicContact CB-CE1 3.91Å; A49-F334 HydrophobicContact CB-CZ 3.89Å; T76-F334 HydrophobicContact CG2-CB 3.69Å; T76-F334 HydrophobicContact CG2-CD1 4.33Å; T76-F334 HydrophobicContact CG2-CD2 4.34Å; T76-F334 HydrophobicContact CG2-CG 3.89Å; V79-F334 HydrophobicContact CG1-CE1 3.99Å; V79-F334 HydrophobicContact CG1-CZ 4.45Å; V324-F334 HydrophobicContact CG1-CD2 4.11Å; V324-F334 HydrophobicContact CG1-CE2 3.95Å; T330-F334 WeakPolarHBondContact O-CB 3.27Å; T330-F334 PolarHBondContact O-N 3.33Å; A331-F334 WeakPolarHBondContact O-CB 3.33Å; A331-F334 PolarHBondContact O-N 2.95Å; S332-F334 VanDerWaalsContact C-N 3.3Å; S332-F334 PolarHBondContact O-N 3.03Å; F334-N336 VanDerWaalsContact C-N 3.34Å; F334-N336 PolarHBondContact O-N 3.03Å; F334-K337 PolarHBondContact O-N 3.46Å; F334-L338 HydrophobicContact CD1-CD1 4.12Å; F334-L338 HydrophobicContact CD2-CD1 4.45Å; F334-L338 HydrophobicContact CE1-CD1 3.61Å; F334-L338 HydrophobicContact CE2-CD1 3.97Å; F334-L338 HydrophobicContact CE2-CG 4.45Å; F334-L338 HydrophobicContact CZ-CD1 3.53Å; F334-L338 HydrophobicContact CZ-CG 4.47Å; F334-L338 WeakPolarHBondContact O-CG 3.46Å; F334-L338 PolarHBondContact O-N 2.87Å; F334-L338 VanDerWaalsContact O-N 3.07Å |
| 335 | F | 86.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.1 | -32.1 | 180 | -73.3 | -61.7 | 0 | 0 | 0 | 113.1 | A49 K50 V53 V79 A331 S332 L338 T339 | A49-F335 HydrophobicContact CB-CE1 4.33Å; K50-F335 HydrophobicContact CG-CD1 3.89Å; K50-F335 HydrophobicContact CG-CE1 4.12Å; V53-F335 HydrophobicContact CG2-CE1 3.83Å; V53-F335 HydrophobicContact CG2-CE2 3.98Å; V53-F335 HydrophobicContact CG2-CZ 3.44Å; V53-F335 VanDerWaalsContact CG2-CZ 3.44Å; V79-F335 HydrophobicContact CG1-CZ 4.23Å; A331-F335 WeakPolarHBondContact O-CD2 3.44Å; A331-F335 PolarHBondContact O-N 2.9Å; S332-F335 PolarHBondContact O-N 3.32Å; F335-L338 HydrophobicContact CD1-CD1 4.42Å; F335-T339 WeakPolarHBondContact O-CB 3.34Å; F335-T339 PolarHBondContact O-N 2.94Å; F335-T339 VanDerWaalsContact O-N 3.09Å; F335-T339 PolarHBondContact O-OG1 2.99Å |
| 336 | N | 87 | Confident | 86.3 | Confident | 47 Ų | 47 | 26 Ų | 26 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.8 | -47.3 | 175.3 | -67.5 | -12.5 | 0 | 0 | 0 | 110.9 | L224 S332 A333 F334 L338 T339 L340 | L224-N336 WeakPolarHBondContact CB-OD1 3.32Å; L224-N336 HydrophobicContact CD1-CB 4.48Å; L224-N336 VanDerWaalsContact CG-OD1 3.27Å; L224-N336 WeakPolarHBondContact CG-OD1 3.38Å; L224-N336 PolarHBondContact N-OD1 2.84Å; S332-N336 VanDerWaalsContact O-CB 3.31Å; S332-N336 WeakPolarHBondContact O-CB 3.34Å; S332-N336 PolarHBondContact O-N 3.16Å; S332-N336 PolarHBondContact O-ND2 2.84Å; S332-N336 PolarHBondContact O-OD1 3.44Å; A333-N336 PolarHBondContact O-N 3.24Å; F334-N336 VanDerWaalsContact C-N 3.34Å; F334-N336 PolarHBondContact O-N 3.03Å; N336-L338 PolarHBondContact O-N 3.48Å; N336-T339 WeakPolarHBondContact O-CB 3.46Å; N336-T339 PolarHBondContact O-N 3.38Å; N336-T339 VanDerWaalsContact O-N 3.15Å; N336-L340 WeakPolarHBondContact O-CG 3.46Å; N336-L340 PolarHBondContact O-N 3.06Å |
| 337 | K | 88 | Confident | 86.4 | Confident | 19 Ų | 19 | 21.4 Ų | 21.4 | 8% | 0.083 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55 | -51.9 | 174.8 | -74.8 | 169.5 | -166.4 | 180 | 0 | 111.7 | A333 F334 T339 L340 M341 D409 S410 | A333-K337 WeakPolarHBondContact O-CB 3.23Å; A333-K337 WeakPolarHBondContact O-CD 3.44Å; A333-K337 WeakPolarHBondContact O-CG 3.18Å; A333-K337 PolarHBondContact O-N 2.94Å; F334-K337 PolarHBondContact O-N 3.46Å; K337-T339 VanDerWaalsContact C-N 3.25Å; K337-T339 PolarHBondContact O-N 2.83Å; K337-L340 PolarHBondContact O-N 2.74Å; K337-M341 WeakPolarHBondContact O-CB 3.44Å; K337-M341 WeakPolarHBondContact O-CG 3.15Å; K337-M341 PolarHBondContact O-N 3.17Å; K337-D409 WeakPolarHBondContact CE-OD2 3.49Å; K337-D409 IonicContact NZ-OD2 3.7Å; K337-D409 PolarHBondContact NZ-OD2 3.47Å; K337-S410 WeakPolarHBondContact CG-OG 3.34Å |
| 338 | L | 88.7 | Confident | 86.7 | Confident | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56 | -41.3 | 177.9 | -73.2 | 178.8 | 0 | 0 | 0 | 112.5 | V45 A49 V324 F334 F335 N336 A342 | V45-L338 HydrophobicContact CG1-CD2 3.9Å; A49-L338 HydrophobicContact CB-CD1 3.69Å; V324-L338 HydrophobicContact CG1-CD2 3.8Å; V324-L338 HydrophobicContact CG1-CG 4.35Å; F334-L338 HydrophobicContact CD1-CD1 4.12Å; F334-L338 HydrophobicContact CD2-CD1 4.45Å; F334-L338 HydrophobicContact CE1-CD1 3.61Å; F334-L338 HydrophobicContact CE2-CD1 3.97Å; F334-L338 HydrophobicContact CE2-CG 4.45Å; F334-L338 HydrophobicContact CZ-CD1 3.53Å; F334-L338 HydrophobicContact CZ-CG 4.47Å; F334-L338 WeakPolarHBondContact O-CG 3.46Å; F334-L338 PolarHBondContact O-N 2.87Å; F334-L338 VanDerWaalsContact O-N 3.07Å; F335-L338 HydrophobicContact CD1-CD1 4.42Å; N336-L338 PolarHBondContact O-N 3.48Å; L338-A342 WeakPolarHBondContact O-CB 3.34Å; L338-A342 PolarHBondContact O-N 3.46Å; L338-A342 VanDerWaalsContact O-N 3.11Å |
| 339 | T | 87.9 | Confident | 87.2 | Confident | 9 Ų | 9 | 18.9 Ų | 18.9 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66 | -48.4 | 178.4 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | K50 F160 L224 F335 N336 K337 A342 N343 | K50-T339 VanDerWaalsContact CE-OG1 3.24Å; K50-T339 WeakPolarHBondContact CE-OG1 3.41Å; K50-T339 PolarHBondContact NZ-OG1 2.8Å; F160-T339 HydrophobicContact CE1-CG2 3.77Å; F160-T339 HydrophobicContact CZ-CG2 4.36Å; L224-T339 HydrophobicContact CB-CG2 4.49Å; L224-T339 HydrophobicContact CD1-CG2 3.97Å; F335-T339 WeakPolarHBondContact O-CB 3.34Å; F335-T339 PolarHBondContact O-N 2.94Å; F335-T339 VanDerWaalsContact O-N 3.09Å; F335-T339 PolarHBondContact O-OG1 2.99Å; N336-T339 WeakPolarHBondContact O-CB 3.46Å; N336-T339 PolarHBondContact O-N 3.38Å; N336-T339 VanDerWaalsContact O-N 3.15Å; K337-T339 VanDerWaalsContact C-N 3.25Å; K337-T339 PolarHBondContact O-N 2.83Å; T339-A342 PolarHBondContact O-N 3.23Å; T339-N343 PolarHBondContact O-N 2.77Å; T339-N343 PolarHBondContact O-OD1 3.48Å |
| 340 | L | 90.5 | Very high | 87.9 | Confident | 23 Ų | 23 | 17.5 Ų | 17.5 | 12% | 0.12 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.5 | -43.8 | -178.7 | -69.7 | 172.5 | 0 | 0 | 0 | 111.6 | F160 N336 K337 A342 N343 V344 T397 M414 | F160-L340 HydrophobicContact CE2-CD2 3.82Å; F160-L340 HydrophobicContact CZ-CD2 3.78Å; N336-L340 WeakPolarHBondContact O-CG 3.46Å; N336-L340 PolarHBondContact O-N 3.06Å; K337-L340 PolarHBondContact O-N 2.74Å; L340-A342 VanDerWaalsContact C-N 3.31Å; L340-A342 PolarHBondContact O-N 2.94Å; L340-N343 PolarHBondContact O-N 2.83Å; L340-V344 WeakPolarHBondContact O-CB 3.4Å; L340-V344 WeakPolarHBondContact O-CG2 3.45Å; L340-V344 PolarHBondContact O-N 2.98Å; L340-T397 HydrophobicContact CD2-CG2 3.83Å; L340-M414 HydrophobicContact CB-CG 4.09Å; L340-M414 HydrophobicContact CB-SD 3.7Å; L340-M414 HydrophobicContact CD1-SD 4.37Å; L340-M414 HydrophobicContact CG-SD 4.46Å |
| 341 | M | 90.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.1 | -46.5 | 174.1 | -70 | 169.9 | 71.1 | 0 | 0 | 111.5 | I42 V324 K337 S345 W413 | I42-M341 HydrophobicContact CG2-CB 3.77Å; V324-M341 HydrophobicContact CG2-CE 4.15Å; V324-M341 HydrophobicContact CG2-SD 4.37Å; K337-M341 WeakPolarHBondContact O-CB 3.44Å; K337-M341 WeakPolarHBondContact O-CG 3.15Å; K337-M341 PolarHBondContact O-N 3.17Å; M341-S345 VanDerWaalsContact O-CB 3.24Å; M341-S345 WeakPolarHBondContact O-CB 3.47Å; M341-S345 PolarHBondContact O-N 3.5Å; M341-S345 PolarHBondContact O-OG 3.47Å; M341-W413 HydrophobicContact CE-CB 4.4Å; M341-W413 HydrophobicContact CE-CD2 4.37Å; M341-W413 HydrophobicContact CE-CE3 3.66Å; M341-W413 HydrophobicContact CE-CZ3 4.36Å; M341-W413 HydrophobicContact CG-CB 3.97Å; M341-W413 HydrophobicContact SD-CB 3.8Å; M341-W413 HydrophobicContact SD-CD2 4.37Å; M341-W413 HydrophobicContact SD-CE3 4.23Å; M341-W413 HydrophobicContact SD-CG 4.22Å |
| 342 | A | 89.7 | Confident | 89.1 | Confident | 3 Ų | 3 | 15.7 Ų | 15.7 | 3% | 0.025 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I42 L338 T339 L340 S345 M346 | I42-A342 HydrophobicContact CG2-CB 4.3Å; L338-A342 WeakPolarHBondContact O-CB 3.34Å; L338-A342 PolarHBondContact O-N 3.46Å; L338-A342 VanDerWaalsContact O-N 3.11Å; T339-A342 PolarHBondContact O-N 3.23Å; L340-A342 VanDerWaalsContact C-N 3.31Å; L340-A342 PolarHBondContact O-N 2.94Å; A342-S345 PolarHBondContact O-N 3.28Å; A342-M346 VanDerWaalsContact O-CB 3.24Å; A342-M346 WeakPolarHBondContact O-CB 3.19Å; A342-M346 WeakPolarHBondContact O-CG 3.3Å; A342-M346 PolarHBondContact O-N 3.44Å |
| 343 | N | 89.7 | Confident | 89.6 | Confident | 5 Ų | 5 | 14.5 Ų | 14.5 | 3% | 0.027 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | -177.3 | -63 | -4.3 | 0 | 0 | 0 | 111.8 | V159 F160 F163 T339 L340 M346 T347 | V159-N343 HydrophobicContact CG1-CB 3.39Å; F160-N343 WeakPolarHBondContact CD1-ND2 3.09Å; F160-N343 WeakPolarHBondContact CE1-ND2 3.23Å; F163-N343 HydrophobicContact CB-CB 4.29Å; F163-N343 WeakPolarHBondContact CD1-OD1 3.44Å; F163-N343 HydrophobicContact CG-CB 4.38Å; F163-N343 WeakPolarHBondContact CG-OD1 3.11Å; T339-N343 PolarHBondContact O-N 2.77Å; T339-N343 PolarHBondContact O-OD1 3.48Å; L340-N343 PolarHBondContact O-N 2.83Å; N343-M346 PolarHBondContact O-N 3.47Å; N343-T347 WeakPolarHBondContact O-CG2 3.5Å; N343-T347 PolarHBondContact O-N 2.88Å; N343-T347 PolarHBondContact O-OG1 3.39Å |
| 344 | V | 91.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.8 | -54.2 | 174.9 | 166.6 | 0 | 0 | 0 | 0 | 109.5 | L340 M346 T347 L348 N394 T397 I398 M414 P418 | L340-V344 WeakPolarHBondContact O-CB 3.4Å; L340-V344 WeakPolarHBondContact O-CG2 3.45Å; L340-V344 PolarHBondContact O-N 2.98Å; V344-M346 VanDerWaalsContact C-N 3.31Å; V344-M346 PolarHBondContact O-N 3.48Å; V344-T347 PolarHBondContact O-N 3.39Å; V344-T347 VanDerWaalsContact O-N 3.14Å; V344-T347 PolarHBondContact O-OG1 3.47Å; V344-L348 PolarHBondContact O-N 3.49Å; V344-N394 WeakPolarHBondContact CA-OD1 3.49Å; V344-N394 WeakPolarHBondContact CG1-OD1 3.37Å; V344-N394 PolarHBondContact O-OD1 2.98Å; V344-T397 HydrophobicContact CG2-CG2 3.9Å; V344-I398 HydrophobicContact CG1-CD1 4.19Å; V344-I398 HydrophobicContact CG1-CG1 4.46Å; V344-I398 HydrophobicContact CG2-CG1 4.35Å; V344-M414 HydrophobicContact CG2-CB 4.43Å; V344-M414 HydrophobicContact CG2-CG 4.24Å; V344-M414 HydrophobicContact CG2-SD 3.88Å; V344-P418 HydrophobicContact CG1-CG 4.47Å |
| 345 | S | 91.6 | Very high | 90.6 | Very high | 10 Ų | 10 | 16.5 Ų | 16.5 | 7% | 0.07 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.1 | -40.5 | -177.6 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | S39 M341 A342 T347 P349 | S39-S345 VanDerWaalsContact CB-C 3.41Å; S39-S345 WeakPolarHBondContact CB-O 3.5Å; M341-S345 VanDerWaalsContact O-CB 3.24Å; M341-S345 WeakPolarHBondContact O-CB 3.47Å; M341-S345 PolarHBondContact O-N 3.5Å; M341-S345 PolarHBondContact O-OG 3.47Å; A342-S345 PolarHBondContact O-N 3.28Å; S345-T347 VanDerWaalsContact C-N 3.29Å; S345-T347 PolarHBondContact O-N 2.95Å; S345-P349 VanDerWaalsContact O-CD 3.25Å; S345-P349 WeakPolarHBondContact O-CD 3.4Å |
| 346 | M | 89 | Confident | 91 | Very high | 16 Ų | 16 | 16.5 Ų | 16.5 | 8% | 0.079 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -72.6 | -18.3 | -177.6 | -71.6 | -74.4 | -65.5 | 0 | 0 | 113.8 | S39 Y40 W43 F163 A342 N343 V344 | S39-M346 VanDerWaalsContact CB-SD 3.6Å; S39-M346 PolarHBondContact OG-SD 2.71Å; Y40-M346 HydrophobicContact CD1-CE 4.49Å; Y40-M346 HydrophobicContact CD1-SD 4.39Å; Y40-M346 HydrophobicContact CE1-CE 3.98Å; Y40-M346 HydrophobicContact CE1-SD 4.43Å; W43-M346 HydrophobicContact CB-SD 4.43Å; F163-M346 HydrophobicContact CD2-CB 3.76Å; F163-M346 HydrophobicContact CD2-CG 4.22Å; F163-M346 HydrophobicContact CE2-CB 3.95Å; F163-M346 HydrophobicContact CE2-CE 4.27Å; F163-M346 HydrophobicContact CE2-CG 3.88Å; A342-M346 VanDerWaalsContact O-CB 3.24Å; A342-M346 WeakPolarHBondContact O-CB 3.19Å; A342-M346 WeakPolarHBondContact O-CG 3.3Å; A342-M346 PolarHBondContact O-N 3.44Å; N343-M346 PolarHBondContact O-N 3.47Å; V344-M346 VanDerWaalsContact C-N 3.31Å; V344-M346 PolarHBondContact O-N 3.48Å |
| 347 | T | 90.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -91.4 | -22.4 | 177.5 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | I162 N343 V344 S345 P349 Y350 V390 N394 | I162-T347 HydrophobicContact CB-CG2 4.01Å; I162-T347 HydrophobicContact CG2-CG2 3.64Å; N343-T347 WeakPolarHBondContact O-CG2 3.5Å; N343-T347 PolarHBondContact O-N 2.88Å; N343-T347 PolarHBondContact O-OG1 3.39Å; V344-T347 PolarHBondContact O-N 3.39Å; V344-T347 VanDerWaalsContact O-N 3.14Å; V344-T347 PolarHBondContact O-OG1 3.47Å; S345-T347 VanDerWaalsContact C-N 3.29Å; S345-T347 PolarHBondContact O-N 2.95Å; T347-P349 VanDerWaalsContact C-CD 3.47Å; T347-Y350 WeakPolarHBondContact O-CB 3.28Å; T347-Y350 WeakPolarHBondContact O-CD2 3.28Å; T347-Y350 PolarHBondContact O-N 3.42Å; T347-Y350 VanDerWaalsContact O-N 3.16Å; T347-V390 WeakPolarHBondContact O-CG1 3.34Å; T347-N394 PolarHBondContact OG1-ND2 3.33Å; T347-N394 PolarHBondContact OG1-OD1 3.49Å; T347-N394 VanDerWaalsContact OG1-OD1 3.06Å |
| 348 | L | 90 | Very high | 91.8 | Very high | 30 Ų | 30 | 14.6 Ų | 14.6 | 16% | 0.157 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.1 | -39.4 | 179.2 | -67.7 | 176.3 | 0 | 0 | 0 | 114.8 | M35 V344 Y350 L351 P418 | M35-L348 HydrophobicContact CE-CD1 3.88Å; V344-L348 PolarHBondContact O-N 3.49Å; L348-Y350 PolarHBondContact O-N 2.81Å; L348-Y350 VanDerWaalsContact O-N 3.13Å; L348-L351 HydrophobicContact CD2-CD1 4.01Å; L348-L351 WeakPolarHBondContact O-CB 3.31Å; L348-L351 PolarHBondContact O-N 3.34Å; L348-P418 HydrophobicContact CD1-CB 3.56Å; L348-P418 HydrophobicContact CD1-CG 3.56Å |
| 349 | P | 89.8 | Confident | 92.1 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.019 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.1 | -30 | 176.7 | -30.2 | 39.1 | 0 | 0 | 0 | 113.8 | W36 S345 T347 L351 F352 L353 | W36-P349 VanDerWaalsContact CA-CG 3.45Å; W36-P349 HydrophobicContact CB-CB 3.88Å; W36-P349 HydrophobicContact CB-CG 3.8Å; W36-P349 HydrophobicContact CG-CB 4.27Å; W36-P349 HydrophobicContact CG-CG 4.31Å; S345-P349 VanDerWaalsContact O-CD 3.25Å; S345-P349 WeakPolarHBondContact O-CD 3.4Å; T347-P349 VanDerWaalsContact C-CD 3.47Å; P349-L351 VanDerWaalsContact C-N 3.26Å; P349-L351 PolarHBondContact O-N 2.98Å; P349-F352 PolarHBondContact O-N 3.41Å; P349-L353 WeakPolarHBondContact O-CG 3.18Å; P349-L353 PolarHBondContact O-N 3.18Å; P349-L353 VanDerWaalsContact O-N 3.1Å |
| 350 | Y | 90.6 | Very high | 92.4 | Very high | 27 Ų | 27 | 19.6 Ų | 19.6 | 11% | 0.106 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66 | -29.4 | 177.6 | -57.2 | -47 | 0 | 0 | 0 | 112.7 | I162 G166 G167 E169 T347 L348 A354 | I162-Y350 HydrophobicContact CG2-CD2 4.12Å; I162-Y350 HydrophobicContact CG2-CE2 4.21Å; G166-Y350 WeakPolarHBondContact CA-OH 3.33Å; G167-Y350 PolarHBondContact N-OH 3.38Å; E169-Y350 HydrophobicContact CB-CE1 4.27Å; E169-Y350 VanDerWaalsContact CD-OH 3.27Å; E169-Y350 HydrophobicContact CG-CE1 4.12Å; E169-Y350 PolarHBondContact OE1-OH 3.29Å; E169-Y350 VanDerWaalsContact OE2-CE1 3.3Å; E169-Y350 WeakPolarHBondContact OE2-CE1 3.47Å; E169-Y350 PolarHBondContact OE2-OH 3.4Å; T347-Y350 WeakPolarHBondContact O-CB 3.28Å; T347-Y350 WeakPolarHBondContact O-CD2 3.28Å; T347-Y350 PolarHBondContact O-N 3.42Å; T347-Y350 VanDerWaalsContact O-N 3.16Å; L348-Y350 PolarHBondContact O-N 2.81Å; L348-Y350 VanDerWaalsContact O-N 3.13Å; Y350-A354 WeakPolarHBondContact O-CB 3.21Å; Y350-A354 PolarHBondContact O-N 3.39Å |
| 351 | L | 93.8 | Very high | 92.6 | Very high | 29 Ų | 29 | 20 Ų | 20 | 15% | 0.152 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 173.4 | -64.5 | 175.7 | 0 | 0 | 0 | 110.7 | L348 P349 L353 A354 L355 V387 V390 T391 | L348-L351 HydrophobicContact CD2-CD1 4.01Å; L348-L351 WeakPolarHBondContact O-CB 3.31Å; L348-L351 PolarHBondContact O-N 3.34Å; P349-L351 VanDerWaalsContact C-N 3.26Å; P349-L351 PolarHBondContact O-N 2.98Å; L351-L353 PolarHBondContact O-N 3.23Å; L351-A354 PolarHBondContact O-N 2.8Å; L351-L355 VanDerWaalsContact O-CB 3.24Å; L351-L355 WeakPolarHBondContact O-CB 3.45Å; L351-L355 WeakPolarHBondContact O-CD1 3.32Å; L351-L355 WeakPolarHBondContact O-CG 3.4Å; L351-L355 PolarHBondContact O-N 3.35Å; L351-V387 HydrophobicContact CD2-CG1 4.33Å; L351-V390 HydrophobicContact CD1-CG1 4.33Å; L351-V390 HydrophobicContact CD2-CB 3.66Å; L351-V390 HydrophobicContact CD2-CG1 3.6Å; L351-V390 HydrophobicContact CG-CB 4.3Å; L351-V390 HydrophobicContact CG-CG1 3.67Å; L351-T391 WeakPolarHBondContact CD2-OG1 3.34Å |
| 352 | F | 94 | Very high | 92.7 | Very high | 41 Ų | 41 | 23 Ų | 23 | 18% | 0.18 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 178.7 | -72.6 | -91.8 | 0 | 0 | 0 | 111.6 | M20 F28 I31 G32 M35 P349 L355 A356 | M20-F352 HydrophobicContact SD-CB 3.84Å; F28-F352 HydrophobicContact CD2-CD1 4.36Å; F28-F352 HydrophobicContact CE1-CB 4.17Å; F28-F352 HydrophobicContact CE1-CD1 4.09Å; F28-F352 WeakPolarHBondContact CE1-O 3.1Å; F28-F352 AromaticContact CE2-CD1 3.81Å; F28-F352 HydrophobicContact CE2-CD1 3.81Å; F28-F352 HydrophobicContact CE2-CE1 4.33Å; F28-F352 HydrophobicContact CZ-CB 4.05Å; F28-F352 AromaticContact CZ-CD1 3.66Å; F28-F352 HydrophobicContact CZ-CD1 3.66Å; F28-F352 HydrophobicContact CZ-CG 4.28Å; F28-F352 WeakPolarHBondContact CZ-O 3.26Å; I31-F352 HydrophobicContact CB-CE1 4.41Å; I31-F352 HydrophobicContact CG2-CE1 3.76Å; I31-F352 HydrophobicContact CG2-CZ 3.88Å; G32-F352 VanDerWaalsContact CA-CD1 3.49Å; M35-F352 HydrophobicContact CB-CE2 4.19Å; M35-F352 HydrophobicContact CG-CE2 4.04Å; M35-F352 HydrophobicContact CG-CZ 4.17Å; P349-F352 PolarHBondContact O-N 3.41Å; F352-L355 PolarHBondContact O-N 3.25Å; F352-A356 WeakPolarHBondContact O-CB 3.49Å; F352-A356 PolarHBondContact O-N 2.92Å |
| 353 | L | 92.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.5 | -38 | -179 | -67 | 170 | 0 | 0 | 0 | 112.8 | M2 I16 W19 M20 P349 L351 A356 F357 | M2-L353 HydrophobicContact CE-CB 3.15Å; M2-L353 HydrophobicContact CE-CD1 3.81Å; M2-L353 HydrophobicContact CE-CG 4.08Å; M2-L353 HydrophobicContact SD-CB 3.6Å; M2-L353 VanDerWaalsContact SD-CB 3.6Å; M2-L353 HydrophobicContact SD-CD1 3.95Å; M2-L353 HydrophobicContact SD-CD2 4.32Å; M2-L353 HydrophobicContact SD-CG 4.19Å; I16-L353 HydrophobicContact CB-CD2 4.11Å; I16-L353 HydrophobicContact CG2-CD1 4.38Å; I16-L353 HydrophobicContact CG2-CD2 4.16Å; W19-L353 HydrophobicContact CE3-CD2 4.2Å; M20-L353 HydrophobicContact CE-CD2 4.27Å; M20-L353 HydrophobicContact CG-CD2 4.03Å; M20-L353 HydrophobicContact SD-CD2 4.09Å; P349-L353 WeakPolarHBondContact O-CG 3.18Å; P349-L353 PolarHBondContact O-N 3.18Å; P349-L353 VanDerWaalsContact O-N 3.1Å; L351-L353 PolarHBondContact O-N 3.23Å; L353-A356 PolarHBondContact O-N 2.94Å; L353-F357 PolarHBondContact O-N 3.14Å |
| 354 | A | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.2 | -45.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | M1 Y350 L351 A356 F357 P358 T383 V386 V387 | M1-A354 HydrophobicContact SD-CB 4.3Å; Y350-A354 WeakPolarHBondContact O-CB 3.21Å; Y350-A354 PolarHBondContact O-N 3.39Å; L351-A354 PolarHBondContact O-N 2.8Å; A354-A356 VanDerWaalsContact C-N 3.26Å; A354-A356 PolarHBondContact O-N 3.25Å; A354-F357 VanDerWaalsContact O-CB 3.25Å; A354-F357 WeakPolarHBondContact O-CB 3.48Å; A354-F357 PolarHBondContact O-N 3.03Å; A354-P358 WeakPolarHBondContact O-CD 3.13Å; A354-T383 WeakPolarHBondContact O-CG2 3.44Å; A354-V386 HydrophobicContact CB-CB 4.24Å; A354-V386 HydrophobicContact CB-CG1 3.72Å; A354-V387 HydrophobicContact CB-CG2 3.92Å |
| 355 | L | 96.4 | Very high | 92.4 | Very high | 76 Ų | 76 | 39.6 Ų | 39.6 | 40% | 0.398 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.1 | -28.5 | 177.8 | -72.5 | 170 | 0 | 0 | 0 | 113 | F28 L351 F352 F357 P358 F359 V387 | F28-L355 HydrophobicContact CZ-CB 4.1Å; L351-L355 VanDerWaalsContact O-CB 3.24Å; L351-L355 WeakPolarHBondContact O-CB 3.45Å; L351-L355 WeakPolarHBondContact O-CD1 3.32Å; L351-L355 WeakPolarHBondContact O-CG 3.4Å; L351-L355 PolarHBondContact O-N 3.35Å; F352-L355 PolarHBondContact O-N 3.25Å; L355-F357 VanDerWaalsContact C-N 3.29Å; L355-F357 PolarHBondContact O-N 3.46Å; L355-P358 WeakPolarHBondContact O-CD 3.39Å; L355-F359 VanDerWaalsContact O-CD2 3.26Å; L355-F359 WeakPolarHBondContact O-CD2 3.39Å; L355-F359 WeakPolarHBondContact O-CE2 3.19Å; L355-V387 HydrophobicContact CD2-CG1 4.49Å; L355-V387 HydrophobicContact CD2-CG2 3.84Å; L355-V387 HydrophobicContact CG-CG2 3.95Å |
| 356 | A | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.8 | -23.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M20 V24 F28 F352 L353 A354 F359 F360 | M20-A356 HydrophobicContact CG-CB 4.07Å; V24-A356 HydrophobicContact CG2-CB 3.77Å; F28-A356 HydrophobicContact CE1-CB 4.08Å; F352-A356 WeakPolarHBondContact O-CB 3.49Å; F352-A356 PolarHBondContact O-N 2.92Å; L353-A356 PolarHBondContact O-N 2.94Å; A354-A356 VanDerWaalsContact C-N 3.26Å; A354-A356 PolarHBondContact O-N 3.25Å; A356-F359 PolarHBondContact O-N 3.49Å; A356-F360 PolarHBondContact O-N 3.47Å |
| 357 | F | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | -169.7 | -172.2 | -113.7 | 0 | 0 | 0 | 114.6 | M1 E4 M5 L353 A354 L355 F359 F360 K361 F373 A379 | M1-F357 HydrophobicContact CB-CB 4.43Å; M1-F357 HydrophobicContact CB-CD1 4.28Å; M1-F357 HydrophobicContact CB-CD2 3.73Å; M1-F357 HydrophobicContact CB-CE2 4Å; M1-F357 HydrophobicContact CB-CG 3.89Å; M1-F357 HydrophobicContact CB-CZ 4.38Å; M1-F357 HydrophobicContact CE-CD1 4.09Å; M1-F357 HydrophobicContact CG-CB 4.33Å; M1-F357 HydrophobicContact CG-CD1 3.6Å; M1-F357 HydrophobicContact CG-CD2 3.98Å; M1-F357 HydrophobicContact CG-CE1 3.78Å; M1-F357 HydrophobicContact CG-CE2 4.16Å; M1-F357 HydrophobicContact CG-CG 3.7Å; M1-F357 HydrophobicContact CG-CZ 4.07Å; M1-F357 HydrophobicContact SD-CB 4.11Å; M1-F357 HydrophobicContact SD-CD1 3.97Å; M1-F357 HydrophobicContact SD-CG 4.06Å; E4-F357 HydrophobicContact CB-CE2 4.2Å; M5-F357 HydrophobicContact CG-CD2 4.22Å; M5-F357 HydrophobicContact SD-CD2 4.33Å; L353-F357 PolarHBondContact O-N 3.14Å; A354-F357 VanDerWaalsContact O-CB 3.25Å; A354-F357 WeakPolarHBondContact O-CB 3.48Å; A354-F357 PolarHBondContact O-N 3.03Å; L355-F357 VanDerWaalsContact C-N 3.29Å; L355-F357 PolarHBondContact O-N 3.46Å; F357-F359 VanDerWaalsContact C-N 3.29Å; F357-F359 PolarHBondContact O-N 3.33Å; F357-F360 AromaticContact CD2-CD1 3.78Å; F357-F360 HydrophobicContact CD2-CD1 3.78Å; F357-F360 HydrophobicContact CD2-CE1 4.47Å; F357-F360 AromaticContact CE2-CD1 3.7Å; F357-F360 HydrophobicContact CE2-CD1 3.7Å; F357-F360 AromaticContact CE2-CE1 3.97Å; F357-F360 HydrophobicContact CE2-CE1 3.97Å; F357-F360 WeakPolarHBondContact O-CB 3.44Å; F357-F360 PolarHBondContact O-N 3.42Å; F357-K361 HydrophobicContact CD1-CG 4.33Å; F357-K361 HydrophobicContact CD2-CG 4.47Å; F357-K361 HydrophobicContact CE1-CD 4.34Å; F357-K361 HydrophobicContact CE1-CG 3.97Å; F357-K361 HydrophobicContact CE2-CD 4.01Å; F357-K361 HydrophobicContact CE2-CG 4.11Å; F357-K361 HydrophobicContact CZ-CD 3.75Å; F357-K361 HydrophobicContact CZ-CG 3.84Å; F357-K361 WeakPolarHBondContact O-CG 3.49Å; F357-K361 PolarHBondContact O-N 3.17Å; F357-F373 HydrophobicContact CE1-CB 4.25Å; F357-F373 AromaticContact CE1-CD2 3.82Å; F357-F373 HydrophobicContact CE1-CD2 3.82Å; F357-F373 HydrophobicContact CE1-CE2 4.45Å; F357-F373 HydrophobicContact CE1-CG 4.08Å; F357-F373 HydrophobicContact CZ-CB 4.22Å; F357-F373 AromaticContact CZ-CD2 3.64Å; F357-F373 HydrophobicContact CZ-CD2 3.64Å; F357-F373 HydrophobicContact CZ-CE2 4.4Å; F357-F373 HydrophobicContact CZ-CG 4.18Å; F357-A379 HydrophobicContact CD1-CB 4.31Å; F357-A379 HydrophobicContact CE1-CB 3.82Å |
| 358 | P | 95.8 | Very high | 91.5 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.2 | -37.4 | 174.7 | -26.3 | 36 | 0 | 0 | 0 | 113.4 | A354 L355 K361 A362 M380 T383 | A354-P358 WeakPolarHBondContact O-CD 3.13Å; L355-P358 WeakPolarHBondContact O-CD 3.39Å; P358-K361 PolarHBondContact O-N 2.86Å; P358-A362 PolarHBondContact O-N 2.88Å; P358-A362 VanDerWaalsContact O-N 3.11Å; P358-M380 HydrophobicContact CB-CE 3.95Å; P358-M380 HydrophobicContact CB-SD 4.5Å; P358-M380 HydrophobicContact CG-CE 4.32Å; P358-M380 HydrophobicContact CG-SD 4.22Å; P358-T383 WeakPolarHBondContact CD-OG1 3.46Å; P358-T383 HydrophobicContact CG-CG2 3.69Å; P358-T383 WeakPolarHBondContact CG-OG1 3.27Å |
| 359 | F | 95 | Very high | 90.8 | Very high | 115 Ų | 115 | 46.8 Ų | 46.8 | 50% | 0.504 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.3 | -41.7 | 177.9 | -59 | -89.5 | 0 | 0 | 0 | 111.2 | S23 V24 L355 A356 F357 K361 A362 R363 | S23-F359 WeakPolarHBondContact O-CB 3.35Å; V24-F359 HydrophobicContact CG2-CB 4.08Å; V24-F359 HydrophobicContact CG2-CD2 3.78Å; V24-F359 HydrophobicContact CG2-CE2 4.46Å; V24-F359 HydrophobicContact CG2-CG 4.04Å; L355-F359 VanDerWaalsContact O-CD2 3.26Å; L355-F359 WeakPolarHBondContact O-CD2 3.39Å; L355-F359 WeakPolarHBondContact O-CE2 3.19Å; A356-F359 PolarHBondContact O-N 3.49Å; F357-F359 VanDerWaalsContact C-N 3.29Å; F357-F359 PolarHBondContact O-N 3.33Å; F359-K361 VanDerWaalsContact C-N 3.27Å; F359-K361 PolarHBondContact O-N 3.5Å; F359-A362 WeakPolarHBondContact O-CB 3.35Å; F359-A362 PolarHBondContact O-N 3.28Å; F359-A362 VanDerWaalsContact O-N 3.09Å; F359-R363 PolarHBondContact O-N 2.93Å |
| 360 | F | 94.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.5 | -44.4 | 168.9 | 165.7 | -108.6 | 0 | 0 | 0 | 112 | E4 M5 A8 Y9 S23 A356 F357 A362 R363 L366 R368 | E4-F360 HydrophobicContact CB-CE1 3.78Å; E4-F360 HydrophobicContact CB-CZ 4.21Å; E4-F360 WeakPolarHBondContact O-CZ 3.36Å; M5-F360 HydrophobicContact CG-CB 4.23Å; M5-F360 HydrophobicContact CG-CD1 3.72Å; M5-F360 HydrophobicContact CG-CD2 4Å; M5-F360 HydrophobicContact CG-CE1 4.02Å; M5-F360 HydrophobicContact CG-CE2 4.27Å; M5-F360 HydrophobicContact CG-CG 3.69Å; M5-F360 HydrophobicContact CG-CZ 4.28Å; M5-F360 HydrophobicContact SD-CB 4.22Å; M5-F360 HydrophobicContact SD-CG 4.33Å; A8-F360 HydrophobicContact CB-CE2 3.61Å; A8-F360 HydrophobicContact CB-CZ 3.74Å; Y9-F360 HydrophobicContact CD2-CE2 4.47Å; Y9-F360 AromaticContact CE2-CD2 3.65Å; Y9-F360 HydrophobicContact CE2-CD2 3.65Å; Y9-F360 AromaticContact CE2-CE2 3.89Å; Y9-F360 HydrophobicContact CE2-CE2 3.89Å; S23-F360 WeakPolarHBondContact OG-CB 3.38Å; A356-F360 PolarHBondContact O-N 3.47Å; F357-F360 AromaticContact CD2-CD1 3.78Å; F357-F360 HydrophobicContact CD2-CD1 3.78Å; F357-F360 HydrophobicContact CD2-CE1 4.47Å; F357-F360 AromaticContact CE2-CD1 3.7Å; F357-F360 HydrophobicContact CE2-CD1 3.7Å; F357-F360 AromaticContact CE2-CE1 3.97Å; F357-F360 HydrophobicContact CE2-CE1 3.97Å; F357-F360 WeakPolarHBondContact O-CB 3.44Å; F357-F360 PolarHBondContact O-N 3.42Å; F360-A362 VanDerWaalsContact C-N 3.27Å; F360-A362 PolarHBondContact O-N 2.83Å; F360-R363 WeakPolarHBondContact O-CB 3.35Å; F360-R363 PolarHBondContact O-N 3.3Å; F360-L366 HydrophobicContact CD2-CD1 3.87Å; F360-L366 HydrophobicContact CE2-CD1 3.64Å; F360-R368 VanDerWaalsContact CE1-NH1 3.33Å; F360-R368 VanDerWaalsContact CZ-NH1 3.26Å; F360-R368 PolarHBondContact O-NH2 3.38Å |
| 361 | K | 93.6 | Very high | 89.9 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.5 | -22 | -179.9 | -67 | -62.2 | -65.8 | -170.7 | 0 | 113.4 | E4 F357 P358 F359 F373 A379 | E4-K361 WeakPolarHBondContact OE2-CD 3.41Å; E4-K361 IonicContact OE2-NZ 3.44Å; E4-K361 PolarHBondContact OE2-NZ 3.28Å; F357-K361 HydrophobicContact CD1-CG 4.33Å; F357-K361 HydrophobicContact CD2-CG 4.47Å; F357-K361 HydrophobicContact CE1-CD 4.34Å; F357-K361 HydrophobicContact CE1-CG 3.97Å; F357-K361 HydrophobicContact CE2-CD 4.01Å; F357-K361 HydrophobicContact CE2-CG 4.11Å; F357-K361 HydrophobicContact CZ-CD 3.75Å; F357-K361 HydrophobicContact CZ-CG 3.84Å; F357-K361 WeakPolarHBondContact O-CG 3.49Å; F357-K361 PolarHBondContact O-N 3.17Å; P358-K361 PolarHBondContact O-N 2.86Å; F359-K361 VanDerWaalsContact C-N 3.27Å; F359-K361 PolarHBondContact O-N 3.5Å; K361-F373 WeakPolarHBondContact CE-O 3.02Å; K361-F373 PolarHBondContact NZ-O 3.01Å; K361-A379 HydrophobicContact CB-CB 4.35Å; K361-A379 HydrophobicContact CG-CB 3.83Å |
| 362 | A | 92.6 | Very high | 89.5 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74.2 | -28 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P358 F359 F360 Q364 | P358-A362 PolarHBondContact O-N 2.88Å; P358-A362 VanDerWaalsContact O-N 3.11Å; F359-A362 WeakPolarHBondContact O-CB 3.35Å; F359-A362 PolarHBondContact O-N 3.28Å; F359-A362 VanDerWaalsContact O-N 3.09Å; F360-A362 VanDerWaalsContact C-N 3.27Å; F360-A362 PolarHBondContact O-N 2.83Å; A362-Q364 PolarHBondContact O-N 2.84Å; A362-Q364 PolarHBondContact O-NE2 2.9Å |
| 363 | R | 90.7 | Very high | 89.2 | Confident | 89 Ų | 89 | 51.5 Ų | 51.5 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | trans | -62 | 125.3 | 177.3 | -66.1 | -75 | -69.2 | -120.5 | 4.1 | 111.6 | N22 F359 F360 D365 L366 R368 | N22-R363 PolarHBondContact O-NH1 2.95Å; F359-R363 PolarHBondContact O-N 2.93Å; F360-R363 WeakPolarHBondContact O-CB 3.35Å; F360-R363 PolarHBondContact O-N 3.3Å; R363-D365 WeakPolarHBondContact CB-OD1 3.24Å; R363-D365 IonicContact CZ-OD1 3.43Å; R363-D365 IonicContact CZ-OD2 3.69Å; R363-D365 IonicContact NE-OD1 3.35Å; R363-D365 PolarHBondContact NE-OD1 3.29Å; R363-D365 IonicContact NE-OD2 2.78Å; R363-D365 PolarHBondContact NE-OD2 2.89Å; R363-D365 IonicContact NH2-OD1 2.7Å; R363-D365 IonicContact NH2-OD2 2.62Å; R363-D365 PolarHBondContact NH2-OD2 3.44Å; R363-L366 HydrophobicContact CB-CD1 3.7Å; R363-L366 HydrophobicContact CB-CG 4.03Å; R363-L366 HydrophobicContact CG-CD1 4.3Å; R363-R368 PolarHBondContact O-NH2 3.15Å | ||
| 364 | Q | 86.2 | Confident | 89 | Confident | 163 Ų | 163 | 60.1 Ų | 60.1 | 76% | 0.762 | 30% | 0.299 | S | S | * | . | trans | -103 | -10.1 | 179.1 | -58.4 | -56.6 | -57.2 | 0 | 0 | 113 | A362 L366 | A362-Q364 PolarHBondContact O-N 2.84Å; A362-Q364 PolarHBondContact O-NE2 2.9Å; Q364-L366 VanDerWaalsContact C-N 3.32Å; Q364-L366 PolarHBondContact O-N 2.78Å | ||
| 365 | D | 87.9 | Confident | 88.8 | Confident | 107 Ų | 107 | 63.9 Ų | 63.9 | 57% | 0.572 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -86.5 | 4.5 | -173.5 | 59.8 | -55.6 | 0 | 0 | 0 | 114.3 | R363 | R363-D365 WeakPolarHBondContact CB-OD1 3.24Å; R363-D365 IonicContact CZ-OD1 3.43Å; R363-D365 IonicContact CZ-OD2 3.69Å; R363-D365 IonicContact NE-OD1 3.35Å; R363-D365 PolarHBondContact NE-OD1 3.29Å; R363-D365 IonicContact NE-OD2 2.78Å; R363-D365 PolarHBondContact NE-OD2 2.89Å; R363-D365 IonicContact NH2-OD1 2.7Å; R363-D365 IonicContact NH2-OD2 2.62Å; R363-D365 PolarHBondContact NH2-OD2 3.44Å |
| 366 | L | 84.8 | Confident | 88.5 | Confident | 32 Ų | 32 | 70 Ų | 70 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -101.3 | 138.6 | -172.8 | -57.1 | 176.2 | 0 | 0 | 0 | 111.3 | Y9 F360 R363 Q364 R368 | Y9-L366 HydrophobicContact CE1-CD1 4.03Å; Y9-L366 HydrophobicContact CE1-CD2 3.73Å; Y9-L366 WeakPolarHBondContact OH-CD1 3.43Å; F360-L366 HydrophobicContact CD2-CD1 3.87Å; F360-L366 HydrophobicContact CE2-CD1 3.64Å; R363-L366 HydrophobicContact CB-CD1 3.7Å; R363-L366 HydrophobicContact CB-CG 4.03Å; R363-L366 HydrophobicContact CG-CD1 4.3Å; Q364-L366 VanDerWaalsContact C-N 3.32Å; Q364-L366 PolarHBondContact O-N 2.78Å; L366-R368 PolarHBondContact O-N 3.06Å |
| 367 | D | 82.9 | Confident | 88.4 | Confident | 95 Ų | 95 | 76.6 Ų | 76.6 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | trans | -65.9 | 126.5 | 162.4 | -175.9 | 6.1 | 0 | 0 | 0 | 109 | A8 R10 P369 | A8-D367 WeakPolarHBondContact CA-O 3.48Å; A8-D367 WeakPolarHBondContact CB-O 3.44Å; R10-D367 IonicContact CZ-OD2 2.59Å; R10-D367 IonicContact NH2-OD2 2.84Å; R10-D367 PolarHBondContact NH2-OD2 2.84Å; D367-P369 VanDerWaalsContact C-CD 3.4Å; D367-P369 VanDerWaalsContact O-CD 3.24Å; D367-P369 WeakPolarHBondContact O-CD 3.36Å | ||
| 368 | R | 84.4 | Confident | 88.3 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 22% | 0.219 | 38% | 0.384 | C | S | . | . | trans | -121.2 | 72 | -173.7 | -68.9 | 178.6 | 180 | -82.3 | 0.5 | 109.9 | F360 R363 L366 F370 V371 | F360-R368 VanDerWaalsContact CE1-NH1 3.33Å; F360-R368 VanDerWaalsContact CZ-NH1 3.26Å; F360-R368 PolarHBondContact O-NH2 3.38Å; R363-R368 PolarHBondContact O-NH2 3.15Å; L366-R368 PolarHBondContact O-N 3.06Å; R368-F370 PolarHBondContact O-N 3.49Å; R368-V371 HydrophobicContact CB-CG2 3.87Å | ||
| 369 | P | 76.7 | Confident | 88.2 | Confident | 22 Ų | 22 | 77.1 Ų | 77.1 | 14% | 0.143 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -71.1 | 4.4 | 178.1 | 35.9 | -42.1 | 0 | 0 | 0 | 112.8 | A7 R10 E182 D367 | A7-P369 HydrophobicContact CB-CG 4.06Å; A7-P369 WeakPolarHBondContact O-CG 3.12Å; R10-P369 VanDerWaalsContact NH1-CG 3.34Å; E182-P369 WeakPolarHBondContact CG-O 3.5Å; E182-P369 VanDerWaalsContact OE1-O 3.12Å; D367-P369 VanDerWaalsContact C-CD 3.4Å; D367-P369 VanDerWaalsContact O-CD 3.24Å; D367-P369 WeakPolarHBondContact O-CD 3.36Å |
| 370 | F | 78.5 | Confident | 88.2 | Confident | 7 Ų | 7 | 75.5 Ų | 75.5 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | trans | -157.4 | 121.7 | 178.4 | 179.3 | -122 | 0 | 0 | 0 | 111.5 | A3 E4 A7 E182 A186 R368 I372 | A3-F370 HydrophobicContact CB-CD1 4.08Å; A3-F370 HydrophobicContact CB-CE1 3.45Å; A3-F370 VanDerWaalsContact CB-CE1 3.45Å; A3-F370 HydrophobicContact CB-CZ 4.38Å; E4-F370 HydrophobicContact CB-CD1 4.46Å; E4-F370 HydrophobicContact CG-CD1 3.91Å; E4-F370 HydrophobicContact CG-CE1 4.13Å; A7-F370 HydrophobicContact CB-CB 3.66Å; A7-F370 HydrophobicContact CB-CD1 4.44Å; E182-F370 HydrophobicContact CB-CD2 4.34Å; E182-F370 HydrophobicContact CG-CD2 4.37Å; E182-F370 WeakPolarHBondContact O-CE2 3.28Å; A186-F370 HydrophobicContact CB-CE2 3.86Å; A186-F370 HydrophobicContact CB-CZ 3.88Å; R368-F370 PolarHBondContact O-N 3.49Å; F370-I372 HydrophobicContact CE1-CD1 3.93Å; F370-I372 HydrophobicContact CE1-CG1 4.07Å; F370-I372 HydrophobicContact CE2-CD1 4.18Å; F370-I372 HydrophobicContact CE2-CG1 3.89Å; F370-I372 HydrophobicContact CZ-CD1 3.36Å; F370-I372 HydrophobicContact CZ-CG1 3.49Å; F370-I372 VanDerWaalsContact CZ-CG1 3.49Å | ||
| 371 | V | 83.5 | Confident | 88.3 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 32% | 0.315 | 40% | 0.396 | S | S | . | . | trans | -142 | 116.5 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | R368 K374 | R368-V371 HydrophobicContact CB-CG2 3.87Å; V371-K374 HydrophobicContact CG1-CG 4.45Å | ||
| 372 | I | 84.4 | Confident | 88.3 | Confident | 91 Ų | 91 | 79.6 Ų | 79.6 | 47% | 0.467 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -94 | -49.6 | 168.1 | -68.4 | 175.6 | 0 | 0 | 0 | 109.5 | E4 A186 F370 K374 | E4-I372 WeakPolarHBondContact OE1-CA 3.43Å; E4-I372 PolarHBondContact OE1-N 2.67Å; A186-I372 HydrophobicContact CB-CD1 4.34Å; F370-I372 HydrophobicContact CE1-CD1 3.93Å; F370-I372 HydrophobicContact CE1-CG1 4.07Å; F370-I372 HydrophobicContact CE2-CD1 4.18Å; F370-I372 HydrophobicContact CE2-CG1 3.89Å; F370-I372 HydrophobicContact CZ-CD1 3.36Å; F370-I372 HydrophobicContact CZ-CG1 3.49Å; F370-I372 VanDerWaalsContact CZ-CG1 3.49Å; I372-K374 PolarHBondContact O-N 2.95Å; I372-K374 VanDerWaalsContact O-N 3.16Å |
| 373 | F | 88.7 | Confident | 88.5 | Confident | 49 Ų | 49 | 76.8 Ų | 76.8 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | trans | -85.5 | 90.4 | -176.5 | -61.3 | -80.3 | 0 | 0 | 0 | 110 | M1 E4 F357 K361 A379 A382 | M1-F373 HydrophobicContact CG-CE2 4.33Å; E4-F373 WeakPolarHBondContact OE1-CD2 3.44Å; E4-F373 PolarHBondContact OE1-N 2.82Å; F357-F373 HydrophobicContact CE1-CB 4.25Å; F357-F373 AromaticContact CE1-CD2 3.82Å; F357-F373 HydrophobicContact CE1-CD2 3.82Å; F357-F373 HydrophobicContact CE1-CE2 4.45Å; F357-F373 HydrophobicContact CE1-CG 4.08Å; F357-F373 HydrophobicContact CZ-CB 4.22Å; F357-F373 AromaticContact CZ-CD2 3.64Å; F357-F373 HydrophobicContact CZ-CD2 3.64Å; F357-F373 HydrophobicContact CZ-CE2 4.4Å; F357-F373 HydrophobicContact CZ-CG 4.18Å; K361-F373 WeakPolarHBondContact CE-O 3.02Å; K361-F373 PolarHBondContact NZ-O 3.01Å; F373-A379 HydrophobicContact CB-CB 4.22Å; F373-A382 HydrophobicContact CD1-CB 3.94Å; F373-A382 HydrophobicContact CE1-CB 3.36Å; F373-A382 HydrophobicContact CZ-CB 3.82Å | ||
| 374 | K | 87.1 | Confident | 88.8 | Confident | 183 Ų | 183 | 75.9 Ų | 75.9 | 80% | 0.796 | 38% | 0.377 | S | S | * | . | trans | -73.6 | -29.1 | -173.3 | -62.6 | -175.3 | -179.1 | -177.9 | 0 | 114.6 | V371 I372 | V371-K374 HydrophobicContact CG1-CG 4.45Å; I372-K374 PolarHBondContact O-N 2.95Å; I372-K374 VanDerWaalsContact O-N 3.16Å | ||
| 375 | T | 90.8 | Very high | 89.3 | Confident | 79 Ų | 79 | 71.9 Ų | 71.9 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -112.8 | 151.6 | -175.4 | 67.9 | 0 | 0 | 0 | 0 | 111.1 | M377 S378 A379 | T375-M377 PolarHBondContact O-N 3.1Å; T375-S378 PolarHBondContact N-OG 3.35Å; T375-S378 PolarHBondContact O-N 2.9Å; T375-S378 PolarHBondContact O-OG 2.9Å; T375-S378 VanDerWaalsContact O-OG 3.08Å; T375-S378 WeakPolarHBondContact OG1-CB 3.49Å; T375-S378 PolarHBondContact OG1-N 3.22Å; T375-S378 PolarHBondContact OG1-OG 3.24Å; T375-A379 PolarHBondContact O-N 2.87Å |
| 376 | R | 90.2 | Very high | 89.6 | Confident | 205 Ų | 205 | 69.2 Ų | 69.2 | 77% | 0.774 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -57.7 | -36.8 | 173.4 | -173.4 | 177.4 | -179.1 | -175.1 | 0.1 | 111.4 | M380 | R376-M380 WeakPolarHBondContact O-CB 3.44Å; R376-M380 PolarHBondContact O-N 3.43Å |
| 377 | M | 92.9 | Very high | 90.1 | Very high | 138 Ų | 138 | 69 Ų | 69 | 68% | 0.68 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.6 | -45.5 | 177 | -171.5 | 180 | -69.6 | 0 | 0 | 111.9 | T375 A379 M380 I381 | T375-M377 PolarHBondContact O-N 3.1Å; M377-A379 PolarHBondContact O-N 3.4Å; M377-M380 PolarHBondContact O-N 3.31Å; M377-I381 HydrophobicContact CG-CD1 3.83Å; M377-I381 HydrophobicContact CG-CG1 4.4Å; M377-I381 WeakPolarHBondContact O-CB 3.37Å; M377-I381 VanDerWaalsContact O-CG1 3.3Å; M377-I381 WeakPolarHBondContact O-CG1 3.3Å; M377-I381 PolarHBondContact O-N 2.69Å |
| 378 | S | 93.3 | Very high | 90.7 | Very high | 36 Ų | 36 | 68.3 Ų | 68.3 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 178.7 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | T375 A382 | T375-S378 PolarHBondContact N-OG 3.35Å; T375-S378 PolarHBondContact O-N 2.9Å; T375-S378 PolarHBondContact O-OG 2.9Å; T375-S378 VanDerWaalsContact O-OG 3.08Å; T375-S378 WeakPolarHBondContact OG1-CB 3.49Å; T375-S378 PolarHBondContact OG1-N 3.22Å; T375-S378 PolarHBondContact OG1-OG 3.24Å; S378-A382 VanDerWaalsContact O-CB 3.28Å; S378-A382 WeakPolarHBondContact O-CB 3.24Å; S378-A382 PolarHBondContact O-N 3.04Å |
| 379 | A | 93.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F357 K361 F373 T375 M377 T383 | F357-A379 HydrophobicContact CD1-CB 4.31Å; F357-A379 HydrophobicContact CE1-CB 3.82Å; K361-A379 HydrophobicContact CB-CB 4.35Å; K361-A379 HydrophobicContact CG-CB 3.83Å; F373-A379 HydrophobicContact CB-CB 4.22Å; T375-A379 PolarHBondContact O-N 2.87Å; M377-A379 PolarHBondContact O-N 3.4Å; A379-T383 WeakPolarHBondContact O-CB 3.32Å; A379-T383 PolarHBondContact O-N 2.89Å; A379-T383 PolarHBondContact O-OG1 3.33Å |
| 380 | M | 95.5 | Very high | 91.9 | Very high | 81 Ų | 81 | 68 Ų | 68 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68 | -47.7 | 178.5 | -169.7 | 63.3 | 68.6 | 0 | 0 | 111.8 | P358 R376 M377 A382 T383 V384 | P358-M380 HydrophobicContact CB-CE 3.95Å; P358-M380 HydrophobicContact CB-SD 4.5Å; P358-M380 HydrophobicContact CG-CE 4.32Å; P358-M380 HydrophobicContact CG-SD 4.22Å; R376-M380 WeakPolarHBondContact O-CB 3.44Å; R376-M380 PolarHBondContact O-N 3.43Å; M377-M380 PolarHBondContact O-N 3.31Å; M380-A382 VanDerWaalsContact C-N 3.34Å; M380-A382 PolarHBondContact O-N 2.97Å; M380-T383 WeakPolarHBondContact O-CB 3.48Å; M380-T383 PolarHBondContact O-N 3.3Å; M380-T383 VanDerWaalsContact O-N 3.15Å; M380-V384 WeakPolarHBondContact O-CG2 3.28Å; M380-V384 PolarHBondContact O-N 3.22Å |
| 381 | I | 96.3 | Very high | 92.6 | Very high | 100 Ų | 100 | 70 Ų | 70 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.7 | -49 | 177.1 | -69.9 | 168.4 | 0 | 0 | 0 | 110.1 | M377 T383 V384 V385 | M377-I381 HydrophobicContact CG-CD1 3.83Å; M377-I381 HydrophobicContact CG-CG1 4.4Å; M377-I381 WeakPolarHBondContact O-CB 3.37Å; M377-I381 VanDerWaalsContact O-CG1 3.3Å; M377-I381 WeakPolarHBondContact O-CG1 3.3Å; M377-I381 PolarHBondContact O-N 2.69Å; I381-T383 VanDerWaalsContact C-N 3.28Å; I381-T383 PolarHBondContact O-N 3.07Å; I381-V384 PolarHBondContact O-N 3.41Å; I381-V385 HydrophobicContact CG2-CG2 4.36Å; I381-V385 VanDerWaalsContact O-CG2 3.31Å; I381-V385 WeakPolarHBondContact O-CG2 3.4Å; I381-V385 PolarHBondContact O-N 2.85Å |
| 382 | A | 94.3 | Very high | 93.1 | Very high | 19 Ų | 19 | 72.5 Ų | 72.5 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1 F373 S378 M380 V385 V386 | M1-A382 HydrophobicContact CE-CB 3.51Å; M1-A382 VanDerWaalsContact CE-O 3.26Å; M1-A382 WeakPolarHBondContact CE-O 3.42Å; F373-A382 HydrophobicContact CD1-CB 3.94Å; F373-A382 HydrophobicContact CE1-CB 3.36Å; F373-A382 HydrophobicContact CZ-CB 3.82Å; S378-A382 VanDerWaalsContact O-CB 3.28Å; S378-A382 WeakPolarHBondContact O-CB 3.24Å; S378-A382 PolarHBondContact O-N 3.04Å; M380-A382 VanDerWaalsContact C-N 3.34Å; M380-A382 PolarHBondContact O-N 2.97Å; A382-V385 PolarHBondContact O-N 2.88Å; A382-V386 WeakPolarHBondContact O-CG2 3.37Å; A382-V386 PolarHBondContact O-N 3.39Å |
| 383 | T | 96.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 68.3 Ų | 68.3 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 177.6 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | M1 A354 P358 A379 M380 I381 V385 V386 V387 | M1-T383 VanDerWaalsContact CE-N 3.26Å; A354-T383 WeakPolarHBondContact O-CG2 3.44Å; P358-T383 WeakPolarHBondContact CD-OG1 3.46Å; P358-T383 HydrophobicContact CG-CG2 3.69Å; P358-T383 WeakPolarHBondContact CG-OG1 3.27Å; A379-T383 WeakPolarHBondContact O-CB 3.32Å; A379-T383 PolarHBondContact O-N 2.89Å; A379-T383 PolarHBondContact O-OG1 3.33Å; M380-T383 WeakPolarHBondContact O-CB 3.48Å; M380-T383 PolarHBondContact O-N 3.3Å; M380-T383 VanDerWaalsContact O-N 3.15Å; I381-T383 VanDerWaalsContact C-N 3.28Å; I381-T383 PolarHBondContact O-N 3.07Å; T383-V385 VanDerWaalsContact C-N 3.33Å; T383-V385 PolarHBondContact O-N 3.28Å; T383-V386 PolarHBondContact O-N 3.41Å; T383-V387 HydrophobicContact CG2-CG2 4.14Å; T383-V387 WeakPolarHBondContact O-CB 3.36Å; T383-V387 VanDerWaalsContact O-CG2 3.26Å; T383-V387 WeakPolarHBondContact O-CG2 3.25Å; T383-V387 PolarHBondContact O-N 3.41Å |
| 384 | V | 97.2 | Very high | 93.7 | Very high | 69 Ų | 69 | 66.3 Ų | 66.3 | 42% | 0.418 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 178.9 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | M380 I381 V387 L388 | M380-V384 WeakPolarHBondContact O-CG2 3.28Å; M380-V384 PolarHBondContact O-N 3.22Å; I381-V384 PolarHBondContact O-N 3.41Å; V384-V387 PolarHBondContact O-N 3.06Å; V384-L388 HydrophobicContact CG1-CD1 3.69Å; V384-L388 HydrophobicContact CG1-CG 4.15Å; V384-L388 VanDerWaalsContact O-CB 3.29Å; V384-L388 WeakPolarHBondContact O-CB 3.33Å; V384-L388 VanDerWaalsContact O-CG 3.22Å; V384-L388 WeakPolarHBondContact O-CG 3.47Å; V384-L388 PolarHBondContact O-N 3.46Å |
| 385 | V | 95.7 | Very high | 94 | Very high | 80 Ų | 80 | 60.7 Ų | 60.7 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 177.7 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | I381 A382 T383 L388 V389 | I381-V385 HydrophobicContact CG2-CG2 4.36Å; I381-V385 VanDerWaalsContact O-CG2 3.31Å; I381-V385 WeakPolarHBondContact O-CG2 3.4Å; I381-V385 PolarHBondContact O-N 2.85Å; A382-V385 PolarHBondContact O-N 2.88Å; T383-V385 VanDerWaalsContact C-N 3.33Å; T383-V385 PolarHBondContact O-N 3.28Å; V385-L388 PolarHBondContact O-N 2.89Å; V385-V389 HydrophobicContact CG1-CG2 4.36Å; V385-V389 WeakPolarHBondContact O-CB 3.35Å; V385-V389 VanDerWaalsContact O-CG2 3.24Å; V385-V389 WeakPolarHBondContact O-CG2 3.28Å; V385-V389 PolarHBondContact O-N 2.86Å |
| 386 | V | 93.7 | Very high | 94.1 | Very high | 51 Ų | 51 | 59.3 Ų | 59.3 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 179.9 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | M1 A354 A382 T383 L388 V389 V390 | M1-V386 HydrophobicContact CE-CB 4.41Å; M1-V386 HydrophobicContact CE-CG2 3.91Å; M1-V386 HydrophobicContact SD-CG2 4.42Å; A354-V386 HydrophobicContact CB-CB 4.24Å; A354-V386 HydrophobicContact CB-CG1 3.72Å; A382-V386 WeakPolarHBondContact O-CG2 3.37Å; A382-V386 PolarHBondContact O-N 3.39Å; T383-V386 PolarHBondContact O-N 3.41Å; V386-L388 PolarHBondContact O-N 3.14Å; V386-V389 PolarHBondContact O-N 3.46Å; V386-V390 HydrophobicContact CG1-CG2 4.24Å; V386-V390 WeakPolarHBondContact O-CB 3.5Å; V386-V390 VanDerWaalsContact O-CG2 3.27Å; V386-V390 WeakPolarHBondContact O-CG2 3.38Å; V386-V390 PolarHBondContact O-N 3.1Å |
| 387 | V | 96.1 | Very high | 94.2 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 179 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | L351 A354 L355 T383 V384 T391 | L351-V387 HydrophobicContact CD2-CG1 4.33Å; A354-V387 HydrophobicContact CB-CG2 3.92Å; L355-V387 HydrophobicContact CD2-CG1 4.49Å; L355-V387 HydrophobicContact CD2-CG2 3.84Å; L355-V387 HydrophobicContact CG-CG2 3.95Å; T383-V387 HydrophobicContact CG2-CG2 4.14Å; T383-V387 WeakPolarHBondContact O-CB 3.36Å; T383-V387 VanDerWaalsContact O-CG2 3.26Å; T383-V387 WeakPolarHBondContact O-CG2 3.25Å; T383-V387 PolarHBondContact O-N 3.41Å; V384-V387 PolarHBondContact O-N 3.06Å; V387-T391 WeakPolarHBondContact O-CB 3.49Å; V387-T391 PolarHBondContact O-N 3.47Å; V387-T391 PolarHBondContact O-OG1 2.88Å |
| 388 | L | 95 | Very high | 94.1 | Very high | 79 Ų | 79 | 44.6 Ų | 44.6 | 41% | 0.414 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.9 | -48.3 | 178.3 | -73.4 | 178 | 0 | 0 | 0 | 111.6 | V384 V385 V386 V390 T391 F392 | V384-L388 HydrophobicContact CG1-CD1 3.69Å; V384-L388 HydrophobicContact CG1-CG 4.15Å; V384-L388 VanDerWaalsContact O-CB 3.29Å; V384-L388 WeakPolarHBondContact O-CB 3.33Å; V384-L388 VanDerWaalsContact O-CG 3.22Å; V384-L388 WeakPolarHBondContact O-CG 3.47Å; V384-L388 PolarHBondContact O-N 3.46Å; V385-L388 PolarHBondContact O-N 2.89Å; V386-L388 PolarHBondContact O-N 3.14Å; L388-V390 PolarHBondContact O-N 3.43Å; L388-T391 PolarHBondContact O-N 3.02Å; L388-F392 HydrophobicContact CB-CD2 4.15Å; L388-F392 HydrophobicContact CB-CE2 3.97Å; L388-F392 HydrophobicContact CD2-CE2 3.93Å; L388-F392 HydrophobicContact CD2-CZ 4.02Å; L388-F392 HydrophobicContact CG-CE2 4.39Å; L388-F392 VanDerWaalsContact O-CB 3.23Å; L388-F392 WeakPolarHBondContact O-CB 3.47Å; L388-F392 WeakPolarHBondContact O-CD2 3.39Å; L388-F392 VanDerWaalsContact O-CG 3.25Å; L388-F392 WeakPolarHBondContact O-CG 3.33Å; L388-F392 PolarHBondContact O-N 2.82Å |
| 389 | V | 93.1 | Very high | 94.1 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | -179.8 | 169.2 | 0 | 0 | 0 | 0 | 111 | V158 I162 V385 V386 A393 | V158-V389 HydrophobicContact CG1-CG1 4.34Å; I162-V389 HydrophobicContact CD1-CG1 4.19Å; V385-V389 HydrophobicContact CG1-CG2 4.36Å; V385-V389 WeakPolarHBondContact O-CB 3.35Å; V385-V389 VanDerWaalsContact O-CG2 3.24Å; V385-V389 WeakPolarHBondContact O-CG2 3.28Å; V385-V389 PolarHBondContact O-N 2.86Å; V386-V389 PolarHBondContact O-N 3.46Å; V389-A393 WeakPolarHBondContact O-CB 3.12Å; V389-A393 PolarHBondContact O-N 3.34Å |
| 390 | V | 93.2 | Very high | 94 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.9 | -41.9 | -179.6 | 177 | 0 | 0 | 0 | 0 | 110.9 | I162 T347 L351 V386 L388 A393 N394 | I162-V390 HydrophobicContact CD1-CG2 4.21Å; T347-V390 WeakPolarHBondContact O-CG1 3.34Å; L351-V390 HydrophobicContact CD1-CG1 4.33Å; L351-V390 HydrophobicContact CD2-CB 3.66Å; L351-V390 HydrophobicContact CD2-CG1 3.6Å; L351-V390 HydrophobicContact CG-CB 4.3Å; L351-V390 HydrophobicContact CG-CG1 3.67Å; V386-V390 HydrophobicContact CG1-CG2 4.24Å; V386-V390 WeakPolarHBondContact O-CB 3.5Å; V386-V390 VanDerWaalsContact O-CG2 3.27Å; V386-V390 WeakPolarHBondContact O-CG2 3.38Å; V386-V390 PolarHBondContact O-N 3.1Å; L388-V390 PolarHBondContact O-N 3.43Å; V390-A393 PolarHBondContact O-N 3.29Å; V390-N394 PolarHBondContact O-N 2.99Å; V390-N394 PolarHBondContact O-ND2 3.28Å |
| 391 | T | 94.4 | Very high | 93.7 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 31% | 0.307 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -48.7 | 178.8 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | L351 V387 L388 A393 N394 V395 | L351-T391 WeakPolarHBondContact CD2-OG1 3.34Å; V387-T391 WeakPolarHBondContact O-CB 3.49Å; V387-T391 PolarHBondContact O-N 3.47Å; V387-T391 PolarHBondContact O-OG1 2.88Å; L388-T391 PolarHBondContact O-N 3.02Å; T391-A393 PolarHBondContact O-N 3.28Å; T391-N394 PolarHBondContact O-N 3.46Å; T391-V395 HydrophobicContact CG2-CG2 4.22Å; T391-V395 WeakPolarHBondContact O-CB 3.37Å; T391-V395 VanDerWaalsContact O-CG2 3.29Å; T391-V395 WeakPolarHBondContact O-CG2 3.43Å; T391-V395 PolarHBondContact O-N 2.83Å |
| 392 | F | 93.2 | Very high | 93.5 | Very high | 104 Ų | 104 | 40.4 Ų | 40.4 | 46% | 0.456 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 178.4 | -72.7 | -39.3 | 0 | 0 | 0 | 111.9 | L388 N394 V395 F396 | L388-F392 HydrophobicContact CB-CD2 4.15Å; L388-F392 HydrophobicContact CB-CE2 3.97Å; L388-F392 HydrophobicContact CD2-CE2 3.93Å; L388-F392 HydrophobicContact CD2-CZ 4.02Å; L388-F392 HydrophobicContact CG-CE2 4.39Å; L388-F392 VanDerWaalsContact O-CB 3.23Å; L388-F392 WeakPolarHBondContact O-CB 3.47Å; L388-F392 WeakPolarHBondContact O-CD2 3.39Å; L388-F392 VanDerWaalsContact O-CG 3.25Å; L388-F392 WeakPolarHBondContact O-CG 3.33Å; L388-F392 PolarHBondContact O-N 2.82Å; F392-N394 VanDerWaalsContact C-N 3.3Å; F392-N394 PolarHBondContact O-N 3.45Å; F392-V395 PolarHBondContact O-N 3.43Å; F392-F396 HydrophobicContact CB-CD2 4Å; F392-F396 HydrophobicContact CB-CE2 3.79Å; F392-F396 HydrophobicContact CD1-CE2 4.33Å; F392-F396 HydrophobicContact CG-CE2 4.22Å; F392-F396 WeakPolarHBondContact O-CB 3.41Å; F392-F396 WeakPolarHBondContact O-CD2 3.5Å; F392-F396 WeakPolarHBondContact O-CG 3.39Å; F392-F396 PolarHBondContact O-N 3.14Å |
| 393 | A | 91.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.2 | -49.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V158 V159 I162 V389 V390 T391 T397 | V158-A393 HydrophobicContact CB-CB 3.87Å; V158-A393 HydrophobicContact CG1-CB 3.68Å; V159-A393 HydrophobicContact CG2-CB 3.55Å; V159-A393 WeakPolarHBondContact CG2-O 3.14Å; I162-A393 HydrophobicContact CD1-CB 3.64Å; V389-A393 WeakPolarHBondContact O-CB 3.12Å; V389-A393 PolarHBondContact O-N 3.34Å; V390-A393 PolarHBondContact O-N 3.29Å; T391-A393 PolarHBondContact O-N 3.28Å; A393-T397 VanDerWaalsContact O-CB 3.31Å; A393-T397 WeakPolarHBondContact O-CB 3.36Å; A393-T397 PolarHBondContact O-N 3.03Å; A393-T397 PolarHBondContact O-OG1 3.33Å |
| 394 | N | 92.8 | Very high | 92.9 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 177.9 | -80.9 | -78.2 | 0 | 0 | 0 | 112.3 | V344 T347 V390 T391 F392 F396 T397 I398 | V344-N394 WeakPolarHBondContact CA-OD1 3.49Å; V344-N394 WeakPolarHBondContact CG1-OD1 3.37Å; V344-N394 PolarHBondContact O-OD1 2.98Å; T347-N394 PolarHBondContact OG1-ND2 3.33Å; T347-N394 PolarHBondContact OG1-OD1 3.49Å; T347-N394 VanDerWaalsContact OG1-OD1 3.06Å; V390-N394 PolarHBondContact O-N 2.99Å; V390-N394 PolarHBondContact O-ND2 3.28Å; T391-N394 PolarHBondContact O-N 3.46Å; F392-N394 VanDerWaalsContact C-N 3.3Å; F392-N394 PolarHBondContact O-N 3.45Å; N394-F396 PolarHBondContact O-N 3.06Å; N394-T397 PolarHBondContact O-N 3.34Å; N394-I398 WeakPolarHBondContact O-CB 3.45Å; N394-I398 WeakPolarHBondContact O-CD1 3.45Å; N394-I398 WeakPolarHBondContact O-CG1 3.37Å; N394-I398 PolarHBondContact O-N 2.89Å |
| 395 | V | 93.6 | Very high | 92.3 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 39% | 0.394 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.5 | -50.1 | 179.3 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | T391 F392 T397 I398 I399 | T391-V395 HydrophobicContact CG2-CG2 4.22Å; T391-V395 WeakPolarHBondContact O-CB 3.37Å; T391-V395 VanDerWaalsContact O-CG2 3.29Å; T391-V395 WeakPolarHBondContact O-CG2 3.43Å; T391-V395 PolarHBondContact O-N 2.83Å; F392-V395 PolarHBondContact O-N 3.43Å; V395-T397 VanDerWaalsContact C-N 3.34Å; V395-T397 PolarHBondContact O-N 3.23Å; V395-I398 PolarHBondContact O-N 3.47Å; V395-I399 HydrophobicContact CG1-CD1 4.32Å; V395-I399 HydrophobicContact CG1-CG2 4.41Å; V395-I399 WeakPolarHBondContact O-CG1 3.32Å; V395-I399 WeakPolarHBondContact O-CG2 3.26Å; V395-I399 PolarHBondContact O-N 3.3Å |
| 396 | F | 92.5 | Very high | 91.9 | Very high | 50 Ų | 50 | 46 Ų | 46 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 179.9 | -68 | -50 | 0 | 0 | 0 | 112.4 | L152 L155 F392 N394 I398 I399 Q400 | L152-F396 HydrophobicContact CD1-CB 4.18Å; L152-F396 HydrophobicContact CD1-CD1 3.26Å; L152-F396 HydrophobicContact CD1-CE1 3.93Å; L152-F396 HydrophobicContact CD1-CG 4.07Å; L155-F396 HydrophobicContact CB-CB 4.26Å; L155-F396 HydrophobicContact CB-CD2 3.63Å; L155-F396 HydrophobicContact CB-CE2 4.11Å; L155-F396 HydrophobicContact CB-CG 3.96Å; L155-F396 HydrophobicContact CD1-CD2 4.13Å; L155-F396 HydrophobicContact CD1-CE1 4.4Å; L155-F396 HydrophobicContact CD1-CE2 3.73Å; L155-F396 HydrophobicContact CD1-CZ 3.88Å; L155-F396 HydrophobicContact CG-CD2 4.4Å; L155-F396 HydrophobicContact CG-CE2 4.39Å; F392-F396 HydrophobicContact CB-CD2 4Å; F392-F396 HydrophobicContact CB-CE2 3.79Å; F392-F396 HydrophobicContact CD1-CE2 4.33Å; F392-F396 HydrophobicContact CG-CE2 4.22Å; F392-F396 WeakPolarHBondContact O-CB 3.41Å; F392-F396 WeakPolarHBondContact O-CD2 3.5Å; F392-F396 WeakPolarHBondContact O-CG 3.39Å; F392-F396 PolarHBondContact O-N 3.14Å; N394-F396 PolarHBondContact O-N 3.06Å; F396-I398 VanDerWaalsContact C-N 3.31Å; F396-I398 PolarHBondContact O-N 2.9Å; F396-I399 HydrophobicContact CD1-CD1 4.05Å; F396-Q400 WeakPolarHBondContact O-CB 3.17Å; F396-Q400 PolarHBondContact O-N 3.29Å |
| 397 | T | 92.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | S156 V159 L340 V344 A393 N394 V395 P401 M414 | S156-T397 PolarHBondContact O-OG1 2.89Å; V159-T397 HydrophobicContact CB-CG2 4.36Å; V159-T397 WeakPolarHBondContact CB-OG1 3.49Å; V159-T397 HydrophobicContact CG1-CG2 4.4Å; V159-T397 HydrophobicContact CG2-CG2 4.42Å; V159-T397 WeakPolarHBondContact CG2-OG1 3.35Å; L340-T397 HydrophobicContact CD2-CG2 3.83Å; V344-T397 HydrophobicContact CG2-CG2 3.9Å; A393-T397 VanDerWaalsContact O-CB 3.31Å; A393-T397 WeakPolarHBondContact O-CB 3.36Å; A393-T397 PolarHBondContact O-N 3.03Å; A393-T397 PolarHBondContact O-OG1 3.33Å; N394-T397 PolarHBondContact O-N 3.34Å; V395-T397 VanDerWaalsContact C-N 3.34Å; V395-T397 PolarHBondContact O-N 3.23Å; T397-P401 WeakPolarHBondContact O-CD 3.37Å; T397-M414 HydrophobicContact CG2-SD 3.97Å; T397-M414 VanDerWaalsContact O-CE 3.3Å; T397-M414 WeakPolarHBondContact O-CE 3.15Å |
| 398 | I | 92.9 | Very high | 91.3 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 16% | 0.159 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.2 | -41.4 | -179.5 | -71.8 | 167 | 0 | 0 | 0 | 111.6 | V344 N394 V395 F396 T411 M414 I415 | V344-I398 HydrophobicContact CG1-CD1 4.19Å; V344-I398 HydrophobicContact CG1-CG1 4.46Å; V344-I398 HydrophobicContact CG2-CG1 4.35Å; N394-I398 WeakPolarHBondContact O-CB 3.45Å; N394-I398 WeakPolarHBondContact O-CD1 3.45Å; N394-I398 WeakPolarHBondContact O-CG1 3.37Å; N394-I398 PolarHBondContact O-N 2.89Å; V395-I398 PolarHBondContact O-N 3.47Å; F396-I398 VanDerWaalsContact C-N 3.31Å; F396-I398 PolarHBondContact O-N 2.9Å; I398-T411 HydrophobicContact CG2-CG2 3.9Å; I398-T411 WeakPolarHBondContact O-CB 3.34Å; I398-T411 VanDerWaalsContact O-CG2 3.32Å; I398-T411 WeakPolarHBondContact O-CG2 3.5Å; I398-T411 PolarHBondContact O-OG1 3.06Å; I398-M414 HydrophobicContact CG1-CB 4.09Å; I398-M414 HydrophobicContact CG1-SD 4.42Å; I398-I415 HydrophobicContact CD1-CG1 4.38Å; I398-I415 HydrophobicContact CG2-CD1 3.6Å; I398-I415 HydrophobicContact CG2-CG1 3.61Å |
| 399 | I | 92.7 | Very high | 90.9 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 32% | 0.323 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -85.9 | -27.9 | -175.1 | 72.3 | -177.9 | 0 | 0 | 0 | 113.3 | L152 V395 F396 V402 V403 | L152-I399 HydrophobicContact CD1-CD1 4.03Å; L152-I399 HydrophobicContact CD1-CG1 4.1Å; V395-I399 HydrophobicContact CG1-CD1 4.32Å; V395-I399 HydrophobicContact CG1-CG2 4.41Å; V395-I399 WeakPolarHBondContact O-CG1 3.32Å; V395-I399 WeakPolarHBondContact O-CG2 3.26Å; V395-I399 PolarHBondContact O-N 3.3Å; F396-I399 HydrophobicContact CD1-CD1 4.05Å; I399-V402 PolarHBondContact O-N 2.99Å; I399-V402 VanDerWaalsContact O-N 3.16Å; I399-V403 HydrophobicContact CB-CG2 4.3Å; I399-V403 WeakPolarHBondContact O-CG2 3.47Å; I399-V403 PolarHBondContact O-N 2.93Å |
| 400 | Q | 90.9 | Very high | 90.6 | Very high | 33 Ų | 33 | 48.8 Ų | 48.8 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.2 | -44.8 | -173.9 | 178.6 | -81 | -25.3 | 0 | 0 | 113.1 | L152 A153 F396 V402 V403 E404 | L152-Q400 HydrophobicContact CD2-CB 4.37Å; L152-Q400 HydrophobicContact CG-CB 4.16Å; L152-Q400 HydrophobicContact CG-CG 4.29Å; A153-Q400 HydrophobicContact CB-CG 4.31Å; F396-Q400 WeakPolarHBondContact O-CB 3.17Å; F396-Q400 PolarHBondContact O-N 3.29Å; Q400-V402 VanDerWaalsContact C-N 3.33Å; Q400-V402 PolarHBondContact O-N 3.44Å; Q400-V403 PolarHBondContact O-N 3.45Å; Q400-E404 HydrophobicContact CG-CG 4.34Å; Q400-E404 PolarHBondContact NE2-OE2 3Å; Q400-E404 WeakPolarHBondContact O-CB 3.38Å; Q400-E404 PolarHBondContact O-N 3.22Å |
| 401 | P | 89.1 | Confident | 90.5 | Very high | 7 Ų | 7 | 49 Ų | 49 | 5% | 0.045 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 179.4 | -27 | 37.2 | 0 | 0 | 0 | 113.4 | T397 A405 G406 D407 M414 | T397-P401 WeakPolarHBondContact O-CD 3.37Å; P401-A405 CarbonylContact O-C 3.53Å; P401-A405 WeakPolarHBondContact O-CA 3.34Å; P401-A405 WeakPolarHBondContact O-CB 3.37Å; P401-A405 PolarHBondContact O-N 2.93Å; P401-G406 PolarHBondContact O-N 3.38Å; P401-D407 HydrophobicContact CB-CB 4.03Å; P401-D407 PolarHBondContact O-N 3.46Å; P401-M414 HydrophobicContact CG-CE 3.84Å |
| 402 | V | 91.5 | Very high | 90.3 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.9 | -45.1 | 177.4 | 165.4 | 0 | 0 | 0 | 0 | 111.7 | I399 Q400 G406 W408 T411 | I399-V402 PolarHBondContact O-N 2.99Å; I399-V402 VanDerWaalsContact O-N 3.16Å; Q400-V402 VanDerWaalsContact C-N 3.33Å; Q400-V402 PolarHBondContact O-N 3.44Å; V402-G406 VanDerWaalsContact O-CA 3.31Å; V402-G406 WeakPolarHBondContact O-CA 3.43Å; V402-G406 PolarHBondContact O-N 3.22Å; V402-G406 VanDerWaalsContact O-N 3.13Å; V402-W408 HydrophobicContact CG1-CD2 4.06Å; V402-W408 HydrophobicContact CG1-CE3 4.23Å; V402-W408 HydrophobicContact CG1-CH2 3.77Å; V402-W408 HydrophobicContact CG1-CZ2 3.55Å; V402-W408 HydrophobicContact CG1-CZ3 4.09Å; V402-W408 HydrophobicContact CG2-CB 4.41Å; V402-W408 HydrophobicContact CG2-CD2 3.7Å; V402-W408 HydrophobicContact CG2-CE3 3.71Å; V402-W408 HydrophobicContact CG2-CG 4.03Å; V402-W408 HydrophobicContact CG2-CZ3 4.22Å; V402-T411 HydrophobicContact CG2-CG2 4.01Å; V402-T411 VanDerWaalsContact CG2-OG1 3.24Å; V402-T411 WeakPolarHBondContact CG2-OG1 3.48Å |
| 403 | V | 90.6 | Very high | 90.1 | Very high | 96 Ų | 96 | 49.5 Ų | 49.5 | 58% | 0.582 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.3 | -38.4 | -174.8 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | L152 I399 Q400 | L152-V403 HydrophobicContact CD2-CB 3.86Å; L152-V403 HydrophobicContact CD2-CG1 3.67Å; L152-V403 HydrophobicContact CD2-CG2 4.4Å; I399-V403 HydrophobicContact CB-CG2 4.3Å; I399-V403 WeakPolarHBondContact O-CG2 3.47Å; I399-V403 PolarHBondContact O-N 2.93Å; Q400-V403 PolarHBondContact O-N 3.45Å |
| 404 | E | 87.7 | Confident | 90.1 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 35% | 0.346 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -101.2 | -32.4 | -172.4 | -61.7 | -173.1 | 170.8 | 0 | 0 | 113.9 | S150 L152 Q400 | S150-E404 WeakPolarHBondContact CB-OE1 3.36Å; S150-E404 PolarHBondContact OG-OE1 3.49Å; L152-E404 HydrophobicContact CD2-CG 4.25Å; Q400-E404 HydrophobicContact CG-CG 4.34Å; Q400-E404 PolarHBondContact NE2-OE2 3Å; Q400-E404 WeakPolarHBondContact O-CB 3.38Å; Q400-E404 PolarHBondContact O-N 3.22Å |
| 405 | A | 85.7 | Confident | 90 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -119 | -4.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P401 D407 | P401-A405 CarbonylContact O-C 3.53Å; P401-A405 WeakPolarHBondContact O-CA 3.34Å; P401-A405 WeakPolarHBondContact O-CB 3.37Å; P401-A405 PolarHBondContact O-N 2.93Å; A405-D407 HydrophobicContact CB-CB 4.39Å; A405-D407 PolarHBondContact O-N 3.32Å |
| 406 | G | 87.1 | Confident | 89.7 | Confident | 44 Ų | 44 | 51 Ų | 51 | 45% | 0.454 | 28% | 0.284 | S | S | . | . | trans | 64.2 | 17.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P401 V402 W408 | P401-G406 PolarHBondContact O-N 3.38Å; V402-G406 VanDerWaalsContact O-CA 3.31Å; V402-G406 WeakPolarHBondContact O-CA 3.43Å; V402-G406 PolarHBondContact O-N 3.22Å; V402-G406 VanDerWaalsContact O-N 3.13Å; G406-W408 VanDerWaalsContact O-CD1 3.28Å; G406-W408 PolarHBondContact O-N 3.49Å | ||
| 407 | D | 87 | Confident | 89.4 | Confident | 51 Ų | 51 | 48.8 Ų | 48.8 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | trans | -83.1 | 79.3 | -176.1 | -176.7 | 4.5 | 0 | 0 | 0 | 111.2 | P401 A405 D409 S410 | P401-D407 HydrophobicContact CB-CB 4.03Å; P401-D407 PolarHBondContact O-N 3.46Å; A405-D407 HydrophobicContact CB-CB 4.39Å; A405-D407 PolarHBondContact O-N 3.32Å; D407-D409 PolarHBondContact O-N 2.94Å; D407-D409 PolarHBondContact OD1-N 3.06Å; D407-S410 VanDerWaalsContact CG-OG 3.31Å; D407-S410 PolarHBondContact OD1-N 3.41Å; D407-S410 VanDerWaalsContact OD2-CB 3.23Å; D407-S410 WeakPolarHBondContact OD2-CB 3.27Å; D407-S410 PolarHBondContact OD2-OG 2.88Å | ||
| 408 | W | 89.6 | Confident | 89.3 | Confident | 167 Ų | 167 | 49.5 Ų | 49.5 | 63% | 0.633 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63 | -29.8 | 174.6 | -71.1 | 94.6 | 0 | 0 | 0 | 113.2 | V402 G406 T411 L412 | V402-W408 HydrophobicContact CG1-CD2 4.06Å; V402-W408 HydrophobicContact CG1-CE3 4.23Å; V402-W408 HydrophobicContact CG1-CH2 3.77Å; V402-W408 HydrophobicContact CG1-CZ2 3.55Å; V402-W408 HydrophobicContact CG1-CZ3 4.09Å; V402-W408 HydrophobicContact CG2-CB 4.41Å; V402-W408 HydrophobicContact CG2-CD2 3.7Å; V402-W408 HydrophobicContact CG2-CE3 3.71Å; V402-W408 HydrophobicContact CG2-CG 4.03Å; V402-W408 HydrophobicContact CG2-CZ3 4.22Å; G406-W408 VanDerWaalsContact O-CD1 3.28Å; G406-W408 PolarHBondContact O-N 3.49Å; W408-T411 PolarHBondContact O-N 2.96Å; W408-L412 WeakPolarHBondContact O-CB 3.42Å; W408-L412 WeakPolarHBondContact O-CG 3.15Å; W408-L412 PolarHBondContact O-N 3.5Å |
| 409 | D | 86.7 | Confident | 89.3 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.4 | -48.3 | -176.4 | -175.3 | 77.5 | 0 | 0 | 0 | 111.2 | K337 D407 T411 L412 W413 | K337-D409 WeakPolarHBondContact CE-OD2 3.49Å; K337-D409 IonicContact NZ-OD2 3.7Å; K337-D409 PolarHBondContact NZ-OD2 3.47Å; D407-D409 PolarHBondContact O-N 2.94Å; D407-D409 PolarHBondContact OD1-N 3.06Å; D409-T411 VanDerWaalsContact C-N 3.31Å; D409-T411 PolarHBondContact O-N 2.86Å; D409-L412 PolarHBondContact O-N 3.47Å; D409-W413 VanDerWaalsContact O-CD1 3.22Å; D409-W413 PolarHBondContact O-N 2.98Å |
| 410 | S | 87 | Confident | 89.2 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 176 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | K337 D407 W413 M414 | K337-S410 WeakPolarHBondContact CG-OG 3.34Å; D407-S410 VanDerWaalsContact CG-OG 3.31Å; D407-S410 PolarHBondContact OD1-N 3.41Å; D407-S410 VanDerWaalsContact OD2-CB 3.23Å; D407-S410 WeakPolarHBondContact OD2-CB 3.27Å; D407-S410 PolarHBondContact OD2-OG 2.88Å; S410-W413 PolarHBondContact O-N 3.06Å; S410-M414 WeakPolarHBondContact O-CE 3.27Å; S410-M414 WeakPolarHBondContact O-CG 3.21Å; S410-M414 PolarHBondContact O-N 2.87Å |
| 411 | T | 91.3 | Very high | 89.4 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.2 | -67.1 | 0 | 0 | 0 | 0 | 112.5 | I398 V402 W408 D409 W413 M414 I415 | I398-T411 HydrophobicContact CG2-CG2 3.9Å; I398-T411 WeakPolarHBondContact O-CB 3.34Å; I398-T411 VanDerWaalsContact O-CG2 3.32Å; I398-T411 WeakPolarHBondContact O-CG2 3.5Å; I398-T411 PolarHBondContact O-OG1 3.06Å; V402-T411 HydrophobicContact CG2-CG2 4.01Å; V402-T411 VanDerWaalsContact CG2-OG1 3.24Å; V402-T411 WeakPolarHBondContact CG2-OG1 3.48Å; W408-T411 PolarHBondContact O-N 2.96Å; D409-T411 VanDerWaalsContact C-N 3.31Å; D409-T411 PolarHBondContact O-N 2.86Å; T411-W413 VanDerWaalsContact C-N 3.32Å; T411-W413 PolarHBondContact O-N 2.74Å; T411-M414 PolarHBondContact O-N 3.17Å; T411-I415 HydrophobicContact CG2-CD1 3.83Å; T411-I415 WeakPolarHBondContact O-CG1 3.33Å; T411-I415 PolarHBondContact O-N 3.25Å; T411-I415 VanDerWaalsContact O-N 3.09Å |
| 412 | L | 91.1 | Very high | 89.6 | Confident | 111 Ų | 111 | 52.9 Ų | 52.9 | 58% | 0.581 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 177.6 | -72.8 | 172.4 | 0 | 0 | 0 | 111.7 | W408 D409 I415 G416 | W408-L412 WeakPolarHBondContact O-CB 3.42Å; W408-L412 WeakPolarHBondContact O-CG 3.15Å; W408-L412 PolarHBondContact O-N 3.5Å; D409-L412 PolarHBondContact O-N 3.47Å; L412-I415 PolarHBondContact O-N 3.28Å; L412-G416 WeakPolarHBondContact O-CA 3.48Å; L412-G416 PolarHBondContact O-N 3.48Å |
| 413 | W | 87.9 | Confident | 89.7 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 176.1 | -83.1 | 113.4 | 0 | 0 | 0 | 113.4 | L323 V324 M341 D409 S410 T411 I415 | L323-W413 HydrophobicContact CB-CH2 3.84Å; V324-W413 HydrophobicContact CG2-CD2 4.26Å; V324-W413 HydrophobicContact CG2-CE3 3.95Å; V324-W413 HydrophobicContact CG2-CH2 3.78Å; V324-W413 HydrophobicContact CG2-CZ2 4.08Å; V324-W413 HydrophobicContact CG2-CZ3 3.71Å; M341-W413 HydrophobicContact CE-CB 4.4Å; M341-W413 HydrophobicContact CE-CD2 4.37Å; M341-W413 HydrophobicContact CE-CE3 3.66Å; M341-W413 HydrophobicContact CE-CZ3 4.36Å; M341-W413 HydrophobicContact CG-CB 3.97Å; M341-W413 HydrophobicContact SD-CB 3.8Å; M341-W413 HydrophobicContact SD-CD2 4.37Å; M341-W413 HydrophobicContact SD-CE3 4.23Å; M341-W413 HydrophobicContact SD-CG 4.22Å; D409-W413 VanDerWaalsContact O-CD1 3.22Å; D409-W413 PolarHBondContact O-N 2.98Å; S410-W413 PolarHBondContact O-N 3.06Å; T411-W413 VanDerWaalsContact C-N 3.32Å; T411-W413 PolarHBondContact O-N 2.74Å; W413-I415 VanDerWaalsContact C-N 3.34Å |
| 414 | M | 91.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68 | -32.1 | 176.3 | -73 | -174.9 | -74.5 | 0 | 0 | 113.1 | L340 V344 T397 I398 P401 S410 T411 P418 | L340-M414 HydrophobicContact CB-CG 4.09Å; L340-M414 HydrophobicContact CB-SD 3.7Å; L340-M414 HydrophobicContact CD1-SD 4.37Å; L340-M414 HydrophobicContact CG-SD 4.46Å; V344-M414 HydrophobicContact CG2-CB 4.43Å; V344-M414 HydrophobicContact CG2-CG 4.24Å; V344-M414 HydrophobicContact CG2-SD 3.88Å; T397-M414 HydrophobicContact CG2-SD 3.97Å; T397-M414 VanDerWaalsContact O-CE 3.3Å; T397-M414 WeakPolarHBondContact O-CE 3.15Å; I398-M414 HydrophobicContact CG1-CB 4.09Å; I398-M414 HydrophobicContact CG1-SD 4.42Å; P401-M414 HydrophobicContact CG-CE 3.84Å; S410-M414 WeakPolarHBondContact O-CE 3.27Å; S410-M414 WeakPolarHBondContact O-CG 3.21Å; S410-M414 PolarHBondContact O-N 2.87Å; T411-M414 PolarHBondContact O-N 3.17Å; M414-P418 WeakPolarHBondContact O-CD 3.42Å; M414-P418 WeakPolarHBondContact O-CG 3.25Å |
| 415 | I | 91.8 | Very high | 90.2 | Very high | 69 Ų | 69 | 51 Ų | 51 | 35% | 0.354 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -86.4 | -40.6 | 178.9 | -63.8 | 169.6 | 0 | 0 | 0 | 111.4 | I398 T411 L412 W413 G417 P418 V419 | I398-I415 HydrophobicContact CD1-CG1 4.38Å; I398-I415 HydrophobicContact CG2-CD1 3.6Å; I398-I415 HydrophobicContact CG2-CG1 3.61Å; T411-I415 HydrophobicContact CG2-CD1 3.83Å; T411-I415 WeakPolarHBondContact O-CG1 3.33Å; T411-I415 PolarHBondContact O-N 3.25Å; T411-I415 VanDerWaalsContact O-N 3.09Å; L412-I415 PolarHBondContact O-N 3.28Å; W413-I415 VanDerWaalsContact C-N 3.34Å; I415-G417 PolarHBondContact O-N 2.99Å; I415-P418 WeakPolarHBondContact O-CD 3.33Å; I415-V419 HydrophobicContact CG2-CG2 3.64Å; I415-V419 WeakPolarHBondContact O-CB 3.42Å; I415-V419 WeakPolarHBondContact O-CG2 3.21Å; I415-V419 PolarHBondContact O-N 3.17Å |
| 416 | G | 87.4 | Confident | 90.6 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113 | L412 F420 | L412-G416 WeakPolarHBondContact O-CA 3.48Å; L412-G416 PolarHBondContact O-N 3.48Å; G416-F420 WeakPolarHBondContact O-CB 3.36Å; G416-F420 PolarHBondContact O-N 2.92Å |
| 417 | G | 85.7 | Confident | 91 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.3 | -62.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I415 V419 F420 F421 | I415-G417 PolarHBondContact O-N 2.99Å; G417-V419 VanDerWaalsContact C-N 3.31Å; G417-V419 PolarHBondContact O-N 3.49Å; G417-F420 PolarHBondContact O-N 3.2Å; G417-F421 WeakPolarHBondContact O-CD2 3.24Å; G417-F421 PolarHBondContact O-N 3.27Å |
| 418 | P | 90.3 | Very high | 91.3 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.3 | -41.8 | 177.7 | -32.1 | 37.6 | 0 | 0 | 0 | 115 | M35 V344 L348 M414 I415 S422 | M35-P418 HydrophobicContact CE-CB 4.18Å; V344-P418 HydrophobicContact CG1-CG 4.47Å; L348-P418 HydrophobicContact CD1-CB 3.56Å; L348-P418 HydrophobicContact CD1-CG 3.56Å; M414-P418 WeakPolarHBondContact O-CD 3.42Å; M414-P418 WeakPolarHBondContact O-CG 3.25Å; I415-P418 WeakPolarHBondContact O-CD 3.33Å; P418-S422 VanDerWaalsContact O-CB 3.23Å; P418-S422 WeakPolarHBondContact O-CB 3.32Å; P418-S422 PolarHBondContact O-N 3.46Å; P418-S422 PolarHBondContact O-OG 3.15Å |
| 419 | V | 91.8 | Very high | 91.4 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 44% | 0.436 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.8 | -49.8 | 177.9 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | I415 G417 F421 S422 L423 | I415-V419 HydrophobicContact CG2-CG2 3.64Å; I415-V419 WeakPolarHBondContact O-CB 3.42Å; I415-V419 WeakPolarHBondContact O-CG2 3.21Å; I415-V419 PolarHBondContact O-N 3.17Å; G417-V419 VanDerWaalsContact C-N 3.31Å; G417-V419 PolarHBondContact O-N 3.49Å; V419-F421 PolarHBondContact O-N 3.03Å; V419-S422 PolarHBondContact O-N 2.94Å; V419-L423 HydrophobicContact CG1-CD1 3.94Å; V419-L423 HydrophobicContact CG1-CG 4.43Å; V419-L423 VanDerWaalsContact O-CG 3.31Å; V419-L423 WeakPolarHBondContact O-CG 3.26Å; V419-L423 PolarHBondContact O-N 2.96Å |
| 420 | F | 92 | Very high | 91.7 | Very high | 93 Ų | 93 | 45.8 Ų | 45.8 | 41% | 0.408 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.2 | -49.6 | 177.9 | 170.9 | -99.8 | 0 | 0 | 0 | 111.6 | F320 G416 G417 S422 L423 L424 | F320-F420 HydrophobicContact CE2-CE1 4.32Å; F320-F420 AromaticContact CZ-CD1 3.95Å; F320-F420 HydrophobicContact CZ-CD1 3.95Å; F320-F420 HydrophobicContact CZ-CE1 4.14Å; G416-F420 WeakPolarHBondContact O-CB 3.36Å; G416-F420 PolarHBondContact O-N 2.92Å; G417-F420 PolarHBondContact O-N 3.2Å; F420-S422 PolarHBondContact O-N 2.98Å; F420-L423 PolarHBondContact O-N 3.37Å; F420-L424 HydrophobicContact CE1-CD2 4.04Å; F420-L424 HydrophobicContact CZ-CD2 4.15Å; F420-L424 WeakPolarHBondContact O-CB 3.38Å; F420-L424 PolarHBondContact O-N 2.9Å |
| 421 | F | 93.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.1 | -33.9 | -178.8 | -72.5 | -61.9 | 0 | 0 | 0 | 113.1 | F34 M35 S38 I41 I42 L316 F320 G417 V419 L424 A425 | F34-F421 HydrophobicContact CE1-CB 4.42Å; F34-F421 HydrophobicContact CE1-CD1 4.03Å; M35-F421 HydrophobicContact SD-CB 3.89Å; S38-F421 WeakPolarHBondContact OG-CD1 3.38Å; S38-F421 WeakPolarHBondContact OG-CG 3.44Å; I41-F421 HydrophobicContact CB-CZ 4.27Å; I41-F421 HydrophobicContact CG2-CZ 3.97Å; I42-F421 HydrophobicContact CD1-CE2 3.89Å; I42-F421 HydrophobicContact CG1-CE2 4.11Å; L316-F421 HydrophobicContact CD2-CE1 4.09Å; L316-F421 HydrophobicContact CD2-CZ 4.5Å; F320-F421 HydrophobicContact CE2-CE1 4.45Å; F320-F421 HydrophobicContact CE2-CE2 4.21Å; F320-F421 AromaticContact CE2-CZ 3.63Å; F320-F421 HydrophobicContact CE2-CZ 3.63Å; F320-F421 AromaticContact CZ-CE2 3.94Å; F320-F421 HydrophobicContact CZ-CE2 3.94Å; F320-F421 AromaticContact CZ-CZ 3.81Å; F320-F421 HydrophobicContact CZ-CZ 3.81Å; G417-F421 WeakPolarHBondContact O-CD2 3.24Å; G417-F421 PolarHBondContact O-N 3.27Å; V419-F421 PolarHBondContact O-N 3.03Å; F421-L424 HydrophobicContact CD1-CD2 4.45Å; F421-L424 PolarHBondContact O-N 2.9Å; F421-A425 WeakPolarHBondContact O-CB 3.31Å; F421-A425 PolarHBondContact O-N 2.95Å |
| 422 | S | 93.5 | Very high | 91.8 | Very high | 36 Ų | 36 | 50 Ų | 50 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 173.7 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | M35 P418 V419 F420 A425 M426 | M35-S422 PolarHBondContact SD-OG 3.34Å; M35-S422 VanDerWaalsContact SD-OG 3.37Å; P418-S422 VanDerWaalsContact O-CB 3.23Å; P418-S422 WeakPolarHBondContact O-CB 3.32Å; P418-S422 PolarHBondContact O-N 3.46Å; P418-S422 PolarHBondContact O-OG 3.15Å; V419-S422 PolarHBondContact O-N 2.94Å; F420-S422 PolarHBondContact O-N 2.98Å; S422-A425 PolarHBondContact O-N 3.32Å; S422-M426 WeakPolarHBondContact O-CG 3.43Å; S422-M426 PolarHBondContact O-N 3.02Å |
| 423 | L | 95.1 | Very high | 91.7 | Very high | 102 Ų | 102 | 46.9 Ų | 46.9 | 53% | 0.534 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.4 | -69 | 173.9 | 0 | 0 | 0 | 111.4 | V419 F420 M426 A427 | V419-L423 HydrophobicContact CG1-CD1 3.94Å; V419-L423 HydrophobicContact CG1-CG 4.43Å; V419-L423 VanDerWaalsContact O-CG 3.31Å; V419-L423 WeakPolarHBondContact O-CG 3.26Å; V419-L423 PolarHBondContact O-N 2.96Å; F420-L423 PolarHBondContact O-N 3.37Å; L423-M426 HydrophobicContact CD2-CE 3.71Å; L423-M426 PolarHBondContact O-N 2.97Å; L423-A427 WeakPolarHBondContact O-CB 3.42Å; L423-A427 PolarHBondContact O-N 3.48Å |
| 424 | L | 94.2 | Very high | 91.7 | Very high | 56 Ų | 56 | 46.8 Ų | 46.8 | 29% | 0.293 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 177.1 | -178 | 58.7 | 0 | 0 | 0 | 111.7 | F34 F420 F421 M426 A427 I428 | F34-L424 HydrophobicContact CE1-CB 4.33Å; F34-L424 HydrophobicContact CE1-CD2 4.15Å; F34-L424 HydrophobicContact CE1-CG 4.18Å; F34-L424 HydrophobicContact CZ-CD2 3.82Å; F34-L424 HydrophobicContact CZ-CG 3.94Å; F420-L424 HydrophobicContact CE1-CD2 4.04Å; F420-L424 HydrophobicContact CZ-CD2 4.15Å; F420-L424 WeakPolarHBondContact O-CB 3.38Å; F420-L424 PolarHBondContact O-N 2.9Å; F421-L424 HydrophobicContact CD1-CD2 4.45Å; F421-L424 PolarHBondContact O-N 2.9Å; L424-M426 VanDerWaalsContact C-N 3.34Å; L424-M426 PolarHBondContact O-N 3.2Å; L424-A427 PolarHBondContact O-N 3.47Å; L424-I428 HydrophobicContact CD1-CD1 4.08Å; L424-I428 HydrophobicContact CD1-CG1 4.27Å; L424-I428 HydrophobicContact CG-CD1 3.93Å; L424-I428 VanDerWaalsContact O-CG1 3.28Å; L424-I428 WeakPolarHBondContact O-CG1 3.27Å; L424-I428 PolarHBondContact O-N 2.84Å |
| 425 | A | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59 | -46.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F30 I31 F34 F421 S422 A427 I428 Y429 | F30-A425 HydrophobicContact CE1-CB 4.3Å; F30-A425 WeakPolarHBondContact CE1-O 3.25Å; I31-A425 HydrophobicContact CG1-CB 4.27Å; I31-A425 HydrophobicContact CG2-CB 4.49Å; F34-A425 HydrophobicContact CB-CB 3.93Å; F34-A425 HydrophobicContact CD1-CB 3.54Å; F34-A425 HydrophobicContact CE1-CB 4.2Å; F34-A425 HydrophobicContact CG-CB 3.81Å; F421-A425 WeakPolarHBondContact O-CB 3.31Å; F421-A425 PolarHBondContact O-N 2.95Å; S422-A425 PolarHBondContact O-N 3.32Å; A425-A427 VanDerWaalsContact C-N 3.34Å; A425-A427 PolarHBondContact O-N 3.2Å; A425-I428 PolarHBondContact O-N 3.25Å; A425-Y429 WeakPolarHBondContact O-CB 3.32Å; A425-Y429 PolarHBondContact O-N 3.46Å |
| 426 | M | 94.3 | Very high | 91.2 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.4 | -72.6 | -170.8 | -66.6 | 0 | 0 | 112 | I31 S422 L423 L424 Y429 Q430 | I31-M426 HydrophobicContact CD1-CG 3.95Å; S422-M426 WeakPolarHBondContact O-CG 3.43Å; S422-M426 PolarHBondContact O-N 3.02Å; L423-M426 HydrophobicContact CD2-CE 3.71Å; L423-M426 PolarHBondContact O-N 2.97Å; L424-M426 VanDerWaalsContact C-N 3.34Å; L424-M426 PolarHBondContact O-N 3.2Å; M426-Y429 PolarHBondContact O-N 3.33Å; M426-Q430 VanDerWaalsContact O-CB 3.22Å; M426-Q430 WeakPolarHBondContact O-CB 3.48Å; M426-Q430 PolarHBondContact O-N 2.9Å |
| 427 | A | 94.4 | Very high | 91 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L423 L424 A425 Q430 N431 | L423-A427 WeakPolarHBondContact O-CB 3.42Å; L423-A427 PolarHBondContact O-N 3.48Å; L424-A427 PolarHBondContact O-N 3.47Å; A425-A427 VanDerWaalsContact C-N 3.34Å; A425-A427 PolarHBondContact O-N 3.2Å; A427-Q430 PolarHBondContact O-N 3.5Å; A427-N431 WeakPolarHBondContact O-CB 3.5Å; A427-N431 PolarHBondContact O-N 3.44Å |
| 428 | I | 93.1 | Very high | 90.9 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 19% | 0.185 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.3 | -49 | 176.6 | -67.2 | 164.7 | 0 | 0 | 0 | 110.1 | F30 F34 L292 L424 A425 Q430 N431 Y432 | F30-I428 HydrophobicContact CE1-CB 4.12Å; F30-I428 HydrophobicContact CE1-CG2 4.03Å; F30-I428 HydrophobicContact CZ-CB 4.1Å; F30-I428 HydrophobicContact CZ-CG2 3.59Å; F34-I428 HydrophobicContact CD2-CD1 4.43Å; F34-I428 HydrophobicContact CE2-CD1 3.61Å; F34-I428 HydrophobicContact CZ-CD1 3.81Å; L292-I428 HydrophobicContact CD2-CG2 4.39Å; L424-I428 HydrophobicContact CD1-CD1 4.08Å; L424-I428 HydrophobicContact CD1-CG1 4.27Å; L424-I428 HydrophobicContact CG-CD1 3.93Å; L424-I428 VanDerWaalsContact O-CG1 3.28Å; L424-I428 WeakPolarHBondContact O-CG1 3.27Å; L424-I428 PolarHBondContact O-N 2.84Å; A425-I428 PolarHBondContact O-N 3.25Å; I428-Q430 PolarHBondContact O-N 2.94Å; I428-N431 WeakPolarHBondContact O-CB 3.4Å; I428-N431 PolarHBondContact O-N 3.25Å; I428-Y432 PolarHBondContact O-N 3.38Å |
| 429 | Y | 92.9 | Very high | 90.3 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 8% | 0.082 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | -178.4 | -165.3 | -90.6 | 0 | 0 | 0 | 112.5 | P26 R27 F30 L292 A425 M426 N431 Y432 C433 | P26-Y429 WeakPolarHBondContact CB-OH 3.37Å; P26-Y429 WeakPolarHBondContact CG-OH 3.4Å; R27-Y429 VanDerWaalsContact CA-CZ 3.41Å; R27-Y429 HydrophobicContact CB-CD1 4.08Å; R27-Y429 HydrophobicContact CB-CE1 3.48Å; R27-Y429 VanDerWaalsContact CB-CE1 3.48Å; R27-Y429 HydrophobicContact CB-CE2 4.38Å; R27-Y429 HydrophobicContact CG-CD1 3.72Å; R27-Y429 HydrophobicContact CG-CE1 3.64Å; R27-Y429 HydrophobicContact CG-CG 4.38Å; R27-Y429 PolarHBondContact N-OH 2.92Å; F30-Y429 HydrophobicContact CB-CD2 3.65Å; F30-Y429 HydrophobicContact CB-CE2 3.96Å; F30-Y429 AromaticContact CD1-CD2 3.67Å; F30-Y429 HydrophobicContact CD1-CD2 3.67Å; F30-Y429 HydrophobicContact CD1-CG 4.14Å; F30-Y429 AromaticContact CG-CD2 3.71Å; F30-Y429 HydrophobicContact CG-CD2 3.71Å; F30-Y429 HydrophobicContact CG-CE2 4.44Å; L292-Y429 HydrophobicContact CD2-CD2 4.05Å; A425-Y429 WeakPolarHBondContact O-CB 3.32Å; A425-Y429 PolarHBondContact O-N 3.46Å; M426-Y429 PolarHBondContact O-N 3.33Å; Y429-N431 VanDerWaalsContact C-N 3.33Å; Y429-N431 PolarHBondContact O-N 3.43Å; Y429-Y432 HydrophobicContact CE2-CD1 4.38Å; Y429-Y432 WeakPolarHBondContact O-CB 3.38Å; Y429-Y432 PolarHBondContact O-N 2.82Å; Y429-C433 WeakPolarHBondContact CE1-SG 3.33Å; Y429-C433 PolarHBondContact O-N 3Å; Y429-C433 PolarHBondContact O-SG 3.03Å |
| 430 | Q | 92.8 | Very high | 89.4 | Confident | 103 Ų | 103 | 64.4 Ų | 64.4 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 177 | -172.6 | 61.5 | 31.4 | 0 | 0 | 111.8 | M426 A427 I428 C433 S434 | M426-Q430 VanDerWaalsContact O-CB 3.22Å; M426-Q430 WeakPolarHBondContact O-CB 3.48Å; M426-Q430 PolarHBondContact O-N 2.9Å; A427-Q430 PolarHBondContact O-N 3.5Å; I428-Q430 PolarHBondContact O-N 2.94Å; Q430-C433 PolarHBondContact O-N 3.23Å; Q430-S434 WeakPolarHBondContact O-CB 3.49Å; Q430-S434 PolarHBondContact O-N 3.32Å; Q430-S434 PolarHBondContact O-OG 3.38Å |
| 431 | N | 90.8 | Very high | 88.2 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 173.7 | -165.8 | -65.6 | 0 | 0 | 0 | 110.7 | A427 I428 Y429 S434 R435 | A427-N431 WeakPolarHBondContact O-CB 3.5Å; A427-N431 PolarHBondContact O-N 3.44Å; I428-N431 WeakPolarHBondContact O-CB 3.4Å; I428-N431 PolarHBondContact O-N 3.25Å; Y429-N431 VanDerWaalsContact C-N 3.33Å; Y429-N431 PolarHBondContact O-N 3.43Å; N431-S434 WeakPolarHBondContact O-CB 3.45Å; N431-S434 PolarHBondContact O-N 3.46Å; N431-R435 WeakPolarHBondContact O-CG 3.42Å; N431-R435 PolarHBondContact O-N 3.41Å; N431-R435 VanDerWaalsContact OD1-CZ 3.24Å; N431-R435 PolarHBondContact OD1-NE 3.33Å; N431-R435 PolarHBondContact OD1-NH2 3.26Å |
| 432 | Y | 89.5 | Confident | 86.8 | Confident | 28 Ų | 28 | 72 Ų | 72 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.3 | -51.7 | 174.6 | 167 | -106.7 | 0 | 0 | 0 | 112.4 | A291 L292 I428 Y429 S434 R435 V436 | A291-Y432 HydrophobicContact CB-CD2 4Å; A291-Y432 HydrophobicContact CB-CE2 3.57Å; L292-Y432 HydrophobicContact CD2-CD1 3.72Å; L292-Y432 HydrophobicContact CD2-CD2 4.14Å; L292-Y432 HydrophobicContact CD2-CE1 4.47Å; L292-Y432 HydrophobicContact CD2-CG 3.52Å; L292-Y432 HydrophobicContact CG-CD1 4.23Å; L292-Y432 HydrophobicContact CG-CD2 4.04Å; L292-Y432 HydrophobicContact CG-CE2 4.43Å; L292-Y432 HydrophobicContact CG-CG 3.93Å; I428-Y432 PolarHBondContact O-N 3.38Å; Y429-Y432 HydrophobicContact CE2-CD1 4.38Å; Y429-Y432 WeakPolarHBondContact O-CB 3.38Å; Y429-Y432 PolarHBondContact O-N 2.82Å; Y432-S434 PolarHBondContact O-N 3.5Å; Y432-R435 PolarHBondContact O-N 3.25Å; Y432-V436 HydrophobicContact CD2-CG2 3.8Å; Y432-V436 HydrophobicContact CE1-CG2 4.15Å; Y432-V436 HydrophobicContact CE2-CG2 3.33Å; Y432-V436 HydrophobicContact CG-CG2 4.38Å; Y432-V436 WeakPolarHBondContact O-CG2 3.27Å; Y432-V436 PolarHBondContact O-N 3.28Å |
| 433 | C | 89.5 | Confident | 85.2 | Confident | 45 Ų | 45 | 73.2 Ų | 73.2 | 30% | 0.304 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56 | -39.6 | 176 | -70 | 0 | 0 | 0 | 0 | 112.2 | Y429 Q430 R435 A437 | Y429-C433 WeakPolarHBondContact CE1-SG 3.33Å; Y429-C433 PolarHBondContact O-N 3Å; Y429-C433 PolarHBondContact O-SG 3.03Å; Q430-C433 PolarHBondContact O-N 3.23Å; C433-R435 VanDerWaalsContact C-N 3.35Å; C433-R435 PolarHBondContact O-N 2.99Å; C433-A437 VanDerWaalsContact O-CB 3.29Å; C433-A437 WeakPolarHBondContact O-CB 3.49Å; C433-A437 PolarHBondContact O-N 2.99Å |
| 434 | S | 88.1 | Confident | 83.1 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 37% | 0.371 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.8 | -33.2 | 178.3 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | Q430 N431 Y432 K438 | Q430-S434 WeakPolarHBondContact O-CB 3.49Å; Q430-S434 PolarHBondContact O-N 3.32Å; Q430-S434 PolarHBondContact O-OG 3.38Å; N431-S434 WeakPolarHBondContact O-CB 3.45Å; N431-S434 PolarHBondContact O-N 3.46Å; Y432-S434 PolarHBondContact O-N 3.5Å; S434-K438 VanDerWaalsContact O-CG 3.31Å; S434-K438 WeakPolarHBondContact O-CG 3.28Å; S434-K438 PolarHBondContact O-N 3.02Å |
| 435 | R | 86.5 | Confident | 80.7 | Confident | 108 Ų | 108 | 79.7 Ų | 79.7 | 41% | 0.408 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -74.4 | -44.6 | 175.4 | -70.4 | 180 | -170.4 | -172.2 | 1.4 | 111.8 | N431 Y432 C433 A437 K438 N439 W442 | N431-R435 WeakPolarHBondContact O-CG 3.42Å; N431-R435 PolarHBondContact O-N 3.41Å; N431-R435 VanDerWaalsContact OD1-CZ 3.24Å; N431-R435 PolarHBondContact OD1-NE 3.33Å; N431-R435 PolarHBondContact OD1-NH2 3.26Å; Y432-R435 PolarHBondContact O-N 3.25Å; C433-R435 VanDerWaalsContact C-N 3.35Å; C433-R435 PolarHBondContact O-N 2.99Å; R435-A437 VanDerWaalsContact C-N 3.32Å; R435-A437 PolarHBondContact O-N 3.44Å; R435-K438 CarbonylContact O-C 3.41Å; R435-K438 PolarHBondContact O-N 3.27Å; R435-K438 VanDerWaalsContact O-N 3.08Å; R435-N439 PolarHBondContact O-N 2.83Å; R435-W442 HydrophobicContact CB-CE3 4.49Å |
| 436 | V | 84.7 | Confident | 80 | Confident | 26 Ų | 26 | 83.7 Ų | 83.7 | 16% | 0.158 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 177.7 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | Y432 K438 N439 W442 A443 | Y432-V436 HydrophobicContact CD2-CG2 3.8Å; Y432-V436 HydrophobicContact CE1-CG2 4.15Å; Y432-V436 HydrophobicContact CE2-CG2 3.33Å; Y432-V436 HydrophobicContact CG-CG2 4.38Å; Y432-V436 WeakPolarHBondContact O-CG2 3.27Å; Y432-V436 PolarHBondContact O-N 3.28Å; V436-K438 PolarHBondContact O-N 2.98Å; V436-N439 CarbonylContact O-C 3.59Å; V436-N439 PolarHBondContact O-N 3.26Å; V436-W442 HydrophobicContact CG2-CB 3.98Å; V436-A443 HydrophobicContact CG1-CB 3.75Å |
| 437 | A | 83.9 | Confident | 79.3 | Confident | 84 Ų | 84 | 84.3 Ų | 84.3 | 69% | 0.694 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.3 | -30.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C433 R435 | C433-A437 VanDerWaalsContact O-CB 3.29Å; C433-A437 WeakPolarHBondContact O-CB 3.49Å; C433-A437 PolarHBondContact O-N 2.99Å; R435-A437 VanDerWaalsContact C-N 3.32Å; R435-A437 PolarHBondContact O-N 3.44Å |
| 438 | K | 82.8 | Confident | 78.4 | Confident | 170 Ų | 170 | 85.8 Ų | 85.8 | 74% | 0.739 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -84.6 | -32.9 | 176.9 | -70.3 | 176.6 | -178.3 | -174.3 | 0 | 112.8 | S434 R435 V436 | S434-K438 VanDerWaalsContact O-CG 3.31Å; S434-K438 WeakPolarHBondContact O-CG 3.28Å; S434-K438 PolarHBondContact O-N 3.02Å; R435-K438 CarbonylContact O-C 3.41Å; R435-K438 PolarHBondContact O-N 3.27Å; R435-K438 VanDerWaalsContact O-N 3.08Å; V436-K438 PolarHBondContact O-N 2.98Å |
| 439 | N | 78.1 | Confident | 77.6 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | trans | -132.5 | 87.3 | -178.7 | -73.5 | -31.1 | 0 | 0 | 0 | 110.2 | R435 V436 Q441 W442 | R435-N439 PolarHBondContact O-N 2.83Å; V436-N439 CarbonylContact O-C 3.59Å; V436-N439 PolarHBondContact O-N 3.26Å; N439-Q441 PolarHBondContact O-N 2.77Å; N439-W442 HydrophobicContact CB-CG 4.35Å; N439-W442 WeakPolarHBondContact O-CB 3.36Å; N439-W442 PolarHBondContact O-N 3.25Å | ||
| 440 | P | 73.4 | Confident | 76.6 | Confident | 91 Ų | 91 | 92.9 Ų | 92.9 | 59% | 0.591 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -59.2 | -20.3 | -176.9 | -25.8 | 34.4 | 0 | 0 | 0 | 114.7 | W442 A443 | P440-W442 PolarHBondContact O-N 3.29Å; P440-W442 VanDerWaalsContact O-N 3.1Å; P440-A443 WeakPolarHBondContact O-CB 3.48Å; P440-A443 PolarHBondContact O-N 3.23Å |
| 441 | Q | 67.5 | Low | 75.5 | Confident | 166 Ų | 166 | 92.3 Ų | 92.3 | 78% | 0.776 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -55 | -26.7 | 173.4 | -69.3 | -179.6 | -12.2 | 0 | 0 | 112.6 | N439 A443 | N439-Q441 PolarHBondContact O-N 2.77Å; Q441-A443 VanDerWaalsContact C-N 3.27Å; Q441-A443 PolarHBondContact O-N 3.46Å |
| 442 | W | 62.6 | Low | 74.4 | Confident | 91 Ų | 91 | 93.3 Ų | 93.3 | 35% | 0.345 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -78.5 | -8.3 | -179.8 | -68.6 | 42 | 0 | 0 | 0 | 113.3 | A291 R435 V436 N439 P440 | A291-W442 HydrophobicContact CB-CB 4.37Å; A291-W442 HydrophobicContact CB-CD2 4.28Å; A291-W442 HydrophobicContact CB-CE3 3.5Å; A291-W442 VanDerWaalsContact CB-CE3 3.5Å; A291-W442 HydrophobicContact CB-CZ3 4.06Å; R435-W442 HydrophobicContact CB-CE3 4.49Å; V436-W442 HydrophobicContact CG2-CB 3.98Å; N439-W442 HydrophobicContact CB-CG 4.35Å; N439-W442 WeakPolarHBondContact O-CB 3.36Å; N439-W442 PolarHBondContact O-N 3.25Å; P440-W442 PolarHBondContact O-N 3.29Å; P440-W442 VanDerWaalsContact O-N 3.1Å |
| 443 | A | 60.4 | Low | 73.3 | Confident | 61 Ų | 61 | 98.3 Ų | 98.3 | 50% | 0.504 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -83.1 | -14.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V436 P440 Q441 | V436-A443 HydrophobicContact CG1-CB 3.75Å; P440-A443 WeakPolarHBondContact O-CB 3.48Å; P440-A443 PolarHBondContact O-N 3.23Å; Q441-A443 VanDerWaalsContact C-N 3.27Å; Q441-A443 PolarHBondContact O-N 3.46Å |
| 444 | V | 51.1 | Low | 71.9 | Confident | 133 Ų | 133 | 102.8 Ų | 102.8 | 81% | 0.806 | 55% | 0.552 | S | S | * | * | trans | -92.4 | -14.1 | -172.8 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 445 | E | 44.2 | Very low | 70.5 | Confident | 161 Ų | 161 | 107.3 Ų | 107.3 | 75% | 0.752 | 57% | 0.568 | S | S | * | * | trans | -92.2 | 0 | 169.2 | -65.3 | -171.9 | 175.5 | 0 | 0 | 111.7 |
Retrieved 445 of 445 residues in 144.1 ms
(Link to these results)