| 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 | 33.4 | Very low | 71.8 | Confident | 239 Ų | 239 | 92.1 Ų | 92.1 | 100% | 1.177 | 56% | 0.56 | S | S | * | * | 0 | 108.8 | 0 | -70.2 | -170.7 | -85.9 | 0 | 0 | 107 | A3 | M1-A3 PolarHBondContact O-N 3.45Š| |||
| 2 | S | 40.7 | Very low | 73.5 | Confident | 104 Ų | 104 | 93.2 Ų | 93.2 | 73% | 0.727 | 55% | 0.551 | S | S | * | * | trans | -63.1 | 123.4 | 170.8 | 56.8 | 0 | 0 | 0 | 0 | 107 | G4 | S2-G4 PolarHBondContact O-N 3.25Š| ||
| 3 | A | 51.5 | Low | 74.9 | Confident | 94 Ų | 94 | 92.1 Ų | 92.1 | 78% | 0.777 | 55% | 0.548 | S | S | * | . | trans | -52.4 | 112.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107 | M1 I5 | M1-A3 PolarHBondContact O-N 3.45Å; A3-I5 PolarHBondContact O-N 2.89Å | ||
| 4 | G | 61.7 | Low | 76.2 | Confident | 65 Ų | 65 | 87.6 Ų | 87.6 | 67% | 0.67 | 52% | 0.518 | S | S | * | . | trans | -56.3 | 138.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | S2 K6 | S2-G4 PolarHBondContact O-N 3.25Å; G4-K6 PolarHBondContact O-N 3.45Å; G4-K6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | I | 65.4 | Low | 77 | Confident | 62 Ų | 62 | 91.2 Ų | 91.2 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | trans | -54.1 | 126.5 | 176.6 | -64.6 | 163 | 0 | 0 | 0 | 109.1 | A3 L7 E31 L32 | A3-I5 PolarHBondContact O-N 2.89Å; I5-L7 PolarHBondContact O-N 3.13Å; I5-E31 HydrophobicContact CD1-CB 3.28Å; I5-E31 WeakPolarHBondContact CD1-O 3.45Å; I5-E31 HydrophobicContact CG1-CB 4.07Å; I5-L32 HydrophobicContact CD1-CB 4.38Å; I5-L32 HydrophobicContact CD1-CD2 4.13Å; I5-L32 HydrophobicContact CD1-CG 3.96Å; I5-L32 HydrophobicContact CG2-CD2 3.61Å; I5-L32 HydrophobicContact CG2-CG 4.24Å | ||
| 6 | K | 76.2 | Confident | 77.8 | Confident | 201 Ų | 201 | 88.3 Ų | 88.3 | 87% | 0.874 | 51% | 0.505 | S | S | * | . | trans | -82.4 | 99.8 | 171.4 | -164.9 | 173.9 | -177.2 | -179.1 | 0 | 108 | G4 | G4-K6 PolarHBondContact O-N 3.45Å; G4-K6 VanDerWaalsContact O-N 3.16Å | ||
| 7 | L | 86.9 | Confident | 78.3 | Confident | 31 Ų | 31 | 85.9 Ų | 85.9 | 16% | 0.162 | 49% | 0.489 | C | S | . | . | trans | -58.5 | 148.4 | 166.7 | -74.3 | 176.3 | 0 | 0 | 0 | 109.6 | I5 L11 P13 L32 L35 L38 L97 | I5-L7 PolarHBondContact O-N 3.13Å; L7-L11 HydrophobicContact CB-CB 4.46Å; L7-P13 HydrophobicContact CD1-CG 4.43Å; L7-L32 HydrophobicContact CD2-CD2 4.18Å; L7-L35 HydrophobicContact CD1-CD1 4.13Å; L7-L35 HydrophobicContact CD2-CD1 3.58Å; L7-L35 HydrophobicContact CG-CD1 3.9Å; L7-L38 HydrophobicContact CD1-CD2 3.91Å; L7-L38 HydrophobicContact CD2-CD1 3.86Å; L7-L38 HydrophobicContact CD2-CD2 4.3Å; L7-L97 HydrophobicContact CD2-CD2 3.88Å | ||
| 8 | P | 90.7 | Very high | 78.5 | Confident | 33 Ų | 33 | 82.7 Ų | 82.7 | 21% | 0.214 | 47% | 0.469 | C | S | . | . | trans | -51.6 | 144.3 | 163.8 | -22.3 | 31.8 | 0 | 0 | 0 | 110.6 | Y10 L11 L97 | P8-Y10 HydrophobicContact CB-CD1 3.74Å; P8-Y10 HydrophobicContact CB-CE1 3.29Å; P8-Y10 HydrophobicContact CB-CE2 4.15Å; P8-Y10 HydrophobicContact CB-CG 4.34Å; P8-Y10 HydrophobicContact CG-CE1 4.2Å; P8-Y10 PolarHBondContact O-N 3.19Å; P8-L11 HydrophobicContact CG-CD1 4.17Å; P8-L11 PolarHBondContact O-N 3.45Å; P8-L97 HydrophobicContact CG-CD1 3.66Å | ||
| 9 | G | 92.2 | Very high | 78.2 | Confident | 79 Ų | 79 | 79.2 Ų | 79.2 | 81% | 0.814 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L11 | G9-L11 VanDerWaalsContact C-N 3.28Å; G9-L11 PolarHBondContact O-N 3.05Å |
| 10 | Y | 95.4 | Very high | 77.5 | Confident | 95 Ų | 95 | 77.3 Ų | 77.3 | 37% | 0.373 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 2.5 | 177.9 | 62.7 | -97.6 | 0 | 0 | 0 | 114 | P8 H40 E41 W47 | P8-Y10 HydrophobicContact CB-CD1 3.74Å; P8-Y10 HydrophobicContact CB-CE1 3.29Å; P8-Y10 HydrophobicContact CB-CE2 4.15Å; P8-Y10 HydrophobicContact CB-CG 4.34Å; P8-Y10 HydrophobicContact CG-CE1 4.2Å; P8-Y10 PolarHBondContact O-N 3.19Å; Y10-H40 AromaticContact CD2-CD2 3.74Å; Y10-H40 AromaticContact CD2-NE2 3.88Å; Y10-H40 CarbonylContact O-C 3.58Å; Y10-H40 WeakPolarHBondContact O-CA 3.29Å; Y10-E41 PolarHBondContact O-N 3.21Å; Y10-W47 HydrophobicContact CE2-CH2 4.09Å; Y10-W47 HydrophobicContact CE2-CZ2 4.21Å |
| 11 | L | 95.3 | Very high | 76.6 | Confident | 10 Ų | 10 | 77.9 Ų | 77.9 | 5% | 0.052 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139 | 177.6 | -64.9 | 177.3 | 0 | 0 | 0 | 111.4 | L7 P8 G9 L38 W47 L97 | L7-L11 HydrophobicContact CB-CB 4.46Å; P8-L11 HydrophobicContact CG-CD1 4.17Å; P8-L11 PolarHBondContact O-N 3.45Å; G9-L11 VanDerWaalsContact C-N 3.28Å; G9-L11 PolarHBondContact O-N 3.05Å; L11-L38 HydrophobicContact CD1-CD1 4.24Å; L11-W47 HydrophobicContact CD1-CD2 4.33Å; L11-W47 HydrophobicContact CD1-CE3 3.78Å; L11-W47 HydrophobicContact CD1-CH2 3.75Å; L11-W47 HydrophobicContact CD1-CZ2 4.29Å; L11-W47 HydrophobicContact CD1-CZ3 3.46Å; L11-W47 VanDerWaalsContact CD1-CZ3 3.46Å; L11-W47 HydrophobicContact CD2-CD2 3.98Å; L11-W47 HydrophobicContact CD2-CE3 4.28Å; L11-W47 HydrophobicContact CD2-CH2 4.25Å; L11-W47 HydrophobicContact CD2-CZ2 3.94Å; L11-W47 HydrophobicContact CD2-CZ3 4.41Å; L11-L97 HydrophobicContact CD1-CD2 4.23Å |
| 12 | K | 93.2 | Very high | 77.5 | Confident | 105 Ų | 105 | 71.1 Ų | 71.1 | 46% | 0.457 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 156.8 | 171.7 | 63.9 | -172.9 | -178.4 | -174.5 | 0 | 111.6 | L38 M39 | K12-L38 CarbonylContact O-C 3.49Å; K12-L38 WeakPolarHBondContact O-CA 3.48Å; K12-M39 HydrophobicContact CD-CE 4.4Å; K12-M39 HydrophobicContact CG-CB 4.44Å; K12-M39 PolarHBondContact N-O 2.86Å; K12-M39 PolarHBondContact O-N 3.31Å |
| 13 | P | 91.5 | Very high | 77.8 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 140.2 | 171.5 | -24.3 | 35.1 | 0 | 0 | 0 | 111.8 | L7 E15 | L7-P13 HydrophobicContact CD1-CG 4.43Å; P13-E15 PolarHBondContact O-N 2.83Å |
| 14 | Y | 92.8 | Very high | 77.4 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 12% | 0.118 | 37% | 0.369 | C | S | . | . | trans | -80 | 113 | 177.9 | -174.8 | -114.6 | 0 | 0 | 0 | 110.8 | Y16 Q17 L37 M39 V46 N111 L113 | Y14-Y16 VanDerWaalsContact C-N 3.27Å; Y14-Y16 HydrophobicContact CE2-CD2 4.45Å; Y14-Y16 PolarHBondContact O-N 2.86Å; Y14-Q17 HydrophobicContact CD1-CB 4.27Å; Y14-L37 VanDerWaalsContact CB-O 3.29Å; Y14-L37 WeakPolarHBondContact CB-O 3.27Å; Y14-L37 HydrophobicContact CD1-CB 4.03Å; Y14-L37 HydrophobicContact CD1-CD1 3.85Å; Y14-L37 HydrophobicContact CE1-CD1 4.31Å; Y14-L37 HydrophobicContact CG-CB 4.17Å; Y14-L37 PolarHBondContact N-O 3.35Å; Y14-M39 HydrophobicContact CD2-CB 4.02Å; Y14-M39 HydrophobicContact CD2-CG 4.28Å; Y14-M39 HydrophobicContact CD2-SD 3.78Å; Y14-M39 HydrophobicContact CE2-SD 3.93Å; Y14-V46 HydrophobicContact CD2-CG2 3.78Å; Y14-V46 HydrophobicContact CE2-CG2 3.65Å; Y14-V46 HydrophobicContact CG-CG2 4.38Å; Y14-N111 PolarHBondContact OH-OD1 2.87Å; Y14-L113 WeakPolarHBondContact OH-CD1 3.36Å; Y14-L113 VanDerWaalsContact OH-CG 3.27Å; Y14-L113 WeakPolarHBondContact OH-CG 3.43Å | ||
| 15 | E | 88.7 | Confident | 76.7 | Confident | 141 Ų | 141 | 70.5 Ų | 70.5 | 66% | 0.659 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18.3 | -171 | 66.7 | -175.8 | 164.3 | 0 | 0 | 114.6 | P13 | P13-E15 PolarHBondContact O-N 2.83Š|
| 16 | Y | 89.2 | Confident | 76 | Confident | 44 Ų | 44 | 71.7 Ų | 71.7 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 16.8 | -174.9 | -61.9 | -63.7 | 0 | 0 | 0 | 114 | Y14 I18 L113 P119 I121 | Y14-Y16 VanDerWaalsContact C-N 3.27Å; Y14-Y16 HydrophobicContact CE2-CD2 4.45Å; Y14-Y16 PolarHBondContact O-N 2.86Å; Y16-I18 PolarHBondContact O-N 3.27Å; Y16-L113 HydrophobicContact CD1-CD1 4.47Å; Y16-L113 HydrophobicContact CD2-CD1 3.64Å; Y16-L113 HydrophobicContact CG-CD1 3.62Å; Y16-P119 HydrophobicContact CD1-CG 3.96Å; Y16-P119 HydrophobicContact CD2-CG 4.35Å; Y16-P119 HydrophobicContact CE1-CG 3.6Å; Y16-P119 HydrophobicContact CE2-CG 4.01Å; Y16-P119 HydrophobicContact CG-CG 4.35Å; Y16-I121 HydrophobicContact CD1-CD1 3.91Å; Y16-I121 HydrophobicContact CG-CD1 3.97Å |
| 17 | Q | 86.5 | Confident | 74.7 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 23% | 0.229 | 36% | 0.362 | C | S | . | . | trans | -68.4 | 114.5 | 173.7 | -175.6 | 169 | -1.8 | 0 | 0 | 110.8 | Y14 A19 L37 | Y14-Q17 HydrophobicContact CD1-CB 4.27Å; Q17-A19 WeakPolarHBondContact CG-O 3.48Å; Q17-A19 PolarHBondContact NE2-O 2.86Å; Q17-L37 HydrophobicContact CB-CD1 4.05Å; Q17-L37 HydrophobicContact CG-CD1 3.87Å | ||
| 18 | I | 81.9 | Confident | 73.2 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 14% | 0.138 | 39% | 0.393 | C | S | . | . | trans | -95.8 | -47 | 178.8 | -71 | 161 | 0 | 0 | 0 | 111.9 | Y16 I121 G159 M160 | Y16-I18 PolarHBondContact O-N 3.27Å; I18-I121 HydrophobicContact CD1-CB 3.48Å; I18-I121 VanDerWaalsContact CD1-CB 3.48Å; I18-I121 HydrophobicContact CD1-CD1 4.31Å; I18-I121 HydrophobicContact CD1-CG2 3.35Å; I18-I121 WeakPolarHBondContact CD1-O 3.12Å; I18-G159 VanDerWaalsContact CG2-CA 3.43Å; I18-M160 VanDerWaalsContact CG2-N 3.31Å | ||
| 19 | A | 73 | Confident | 71.6 | Confident | 17 Ų | 17 | 72.8 Ų | 72.8 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -127.6 | -170.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q17 D123 L158 | Q17-A19 WeakPolarHBondContact CG-O 3.48Å; Q17-A19 PolarHBondContact NE2-O 2.86Å; A19-D123 HydrophobicContact CB-CB 4.21Å; A19-D123 WeakPolarHBondContact CB-OD2 3.16Å; A19-L158 HydrophobicContact CB-CB 3.7Å; A19-L158 HydrophobicContact CB-CD1 4.23Å |
| 20 | G | 64.8 | Low | 70.2 | Confident | 40 Ų | 40 | 71 Ų | 71 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 90.4 | -179.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H22 | G20-H22 PolarHBondContact O-N 3Š|
| 21 | H | 58.4 | Low | 68.9 | Low | 90 Ų | 90 | 71.7 Ų | 71.7 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | trans | -71.9 | 94.7 | 175.7 | -66.8 | 121.2 | 0 | 0 | 0 | 108.6 | P23 Q51 | H21-P23 WeakPolarHBondContact O-CD 3.11Å; H21-Q51 PolarHBondContact CE1-OE1 2.95Å; H21-Q51 PolarHBondContact ND1-OE1 3.5Å | ||
| 22 | H | 51.6 | Low | 67.6 | Low | 97 Ų | 97 | 72 Ų | 72 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | trans | -62.4 | 108.5 | 161.4 | -142.3 | -66.1 | 0 | 0 | 0 | 106.4 | G20 S24 R25 | G20-H22 PolarHBondContact O-N 3Å; H22-S24 PolarHBondContact ND1-OG 2.87Å; H22-S24 PolarHBondContact O-N 2.87Å; H22-R25 PolarHBondContact O-N 3.07Å | ||
| 23 | P | 46.3 | Very low | 66.1 | Low | 9 Ų | 9 | 67.1 Ų | 67.1 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -76.4 | -11.1 | -165.6 | 14.6 | -6.5 | 0 | 0 | 0 | 112.3 | H21 R25 K26 C29 G33 R34 | H21-P23 WeakPolarHBondContact O-CD 3.11Å; P23-R25 PolarHBondContact O-N 3.29Å; P23-K26 PolarHBondContact O-N 2.92Å; P23-K26 VanDerWaalsContact O-N 3.12Å; P23-C29 HydrophobicContact CB-CB 4.21Å; P23-G33 VanDerWaalsContact CB-O 3.31Å; P23-G33 WeakPolarHBondContact CB-O 3.46Å; P23-G33 VanDerWaalsContact CG-C 3.45Å; P23-G33 WeakPolarHBondContact CG-O 3.15Å; P23-R34 VanDerWaalsContact CG-CA 3.44Å |
| 24 | S | 43.9 | Very low | 65.1 | Low | 74 Ų | 74 | 68.1 Ų | 68.1 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -53.4 | -14.6 | 163.9 | 58.7 | 0 | 0 | 0 | 0 | 114.7 | H22 | H22-S24 PolarHBondContact ND1-OG 2.87Å; H22-S24 PolarHBondContact O-N 2.87Å |
| 25 | R | 47 | Very low | 64.4 | Low | 168 Ų | 168 | 69.3 Ų | 69.3 | 63% | 0.634 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -99.6 | 6.7 | 177.6 | -63.5 | -168.1 | -176.3 | -177.5 | 5.9 | 115.3 | H22 P23 D176 | H22-R25 PolarHBondContact O-N 3.07Å; P23-R25 PolarHBondContact O-N 3.29Å; R25-D176 IonicContact NH1-OD2 3.84Å |
| 26 | K | 49.6 | Very low | 64.4 | Low | 86 Ų | 86 | 62.7 Ų | 62.7 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | trans | -123.9 | 129.9 | 178.8 | -70.8 | -172.8 | 179.7 | 178.6 | 0 | 112.4 | P23 N28 | P23-K26 PolarHBondContact O-N 2.92Å; P23-K26 VanDerWaalsContact O-N 3.12Å; K26-N28 VanDerWaalsContact C-N 3.26Å; K26-N28 PolarHBondContact O-N 3.26Å | ||
| 27 | S | 49.9 | Very low | 64.5 | Low | 101 Ų | 101 | 62.2 Ų | 62.2 | 71% | 0.706 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -34.9 | 176.3 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 28 | N | 55.2 | Low | 64.9 | Low | 151 Ų | 151 | 59.9 Ų | 59.9 | 81% | 0.807 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 13.2 | -170 | -56.5 | 8.6 | 0 | 0 | 0 | 113.8 | K26 | K26-N28 VanDerWaalsContact C-N 3.26Å; K26-N28 PolarHBondContact O-N 3.26Å |
| 29 | C | 58 | Low | 65.6 | Low | 36 Ų | 36 | 59.3 Ų | 59.3 | 24% | 0.243 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -90.5 | 138.4 | 173.5 | -74.6 | 0 | 0 | 0 | 0 | 110.2 | P23 R34 | P23-C29 HydrophobicContact CB-CB 4.21Å; C29-R34 HydrophobicContact CB-CG 4.29Å |
| 30 | T | 63.1 | Low | 66.7 | Low | 42 Ų | 42 | 60.8 Ų | 60.8 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | trans | -54.3 | 150.7 | 165.8 | 61.6 | 0 | 0 | 0 | 0 | 109.2 | L32 G33 R34 Q104 | T30-L32 PolarHBondContact O-N 3.37Å; T30-G33 VanDerWaalsContact O-CA 3.3Å; T30-G33 WeakPolarHBondContact O-CA 3.39Å; T30-G33 PolarHBondContact O-N 3.41Å; T30-G33 WeakPolarHBondContact OG1-CA 3.48Å; T30-G33 PolarHBondContact OG1-N 3.28Å; T30-R34 WeakPolarHBondContact O-CG 3.19Å; T30-R34 PolarHBondContact O-N 3.46Å; T30-Q104 PolarHBondContact OG1-OE1 2.77Å; T30-Q104 VanDerWaalsContact OG1-OE1 3.08Å | ||
| 31 | E | 67.7 | Low | 68.2 | Low | 110 Ų | 110 | 64.9 Ų | 64.9 | 51% | 0.514 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -35.3 | 177.2 | -67.5 | -174.5 | 160.3 | 0 | 0 | 111.5 | I5 R34 | I5-E31 HydrophobicContact CD1-CB 3.28Å; I5-E31 WeakPolarHBondContact CD1-O 3.45Å; I5-E31 HydrophobicContact CG1-CB 4.07Å; E31-R34 VanDerWaalsContact O-CB 3.28Å; E31-R34 WeakPolarHBondContact O-CB 3.25Å; E31-R34 PolarHBondContact O-N 3.01Å; E31-R34 VanDerWaalsContact O-N 3.17Å |
| 32 | L | 67.2 | Low | 69.9 | Low | 17 Ų | 17 | 63.8 Ų | 63.8 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -43 | 173.1 | -84 | 170.6 | 0 | 0 | 0 | 111.6 | I5 L7 T30 R34 L35 L97 Q104 | I5-L32 HydrophobicContact CD1-CB 4.38Å; I5-L32 HydrophobicContact CD1-CD2 4.13Å; I5-L32 HydrophobicContact CD1-CG 3.96Å; I5-L32 HydrophobicContact CG2-CD2 3.61Å; I5-L32 HydrophobicContact CG2-CG 4.24Å; L7-L32 HydrophobicContact CD2-CD2 4.18Å; T30-L32 PolarHBondContact O-N 3.37Å; L32-R34 PolarHBondContact O-N 2.86Å; L32-L35 HydrophobicContact CD2-CD1 4.08Å; L32-L35 WeakPolarHBondContact O-CB 3.37Å; L32-L35 PolarHBondContact O-N 2.62Å; L32-L35 VanDerWaalsContact O-N 3.14Å; L32-L97 HydrophobicContact CD1-CB 4.26Å; L32-L97 HydrophobicContact CD1-CD2 4.34Å; L32-L97 HydrophobicContact CD1-CG 3.95Å; L32-L97 VanDerWaalsContact CD1-O 3.25Å; L32-L97 WeakPolarHBondContact CD1-O 3.45Å; L32-L97 HydrophobicContact CD2-CD2 3.57Å; L32-L97 HydrophobicContact CD2-CG 4.09Å; L32-Q104 HydrophobicContact CB-CB 3.87Å |
| 33 | G | 61.5 | Low | 72 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -47.8 | -47.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P23 T30 L35 G36 | P23-G33 VanDerWaalsContact CB-O 3.31Å; P23-G33 WeakPolarHBondContact CB-O 3.46Å; P23-G33 VanDerWaalsContact CG-C 3.45Å; P23-G33 WeakPolarHBondContact CG-O 3.15Å; T30-G33 VanDerWaalsContact O-CA 3.3Å; T30-G33 WeakPolarHBondContact O-CA 3.39Å; T30-G33 PolarHBondContact O-N 3.41Å; T30-G33 WeakPolarHBondContact OG1-CA 3.48Å; T30-G33 PolarHBondContact OG1-N 3.28Å; G33-L35 PolarHBondContact O-N 3.43Å; G33-L35 VanDerWaalsContact O-N 3.13Å; G33-G36 PolarHBondContact O-N 3.37Å |
| 34 | R | 71.2 | Confident | 74.5 | Confident | 100 Ų | 100 | 63.6 Ų | 63.6 | 38% | 0.377 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -58.2 | -18 | -178.1 | -61.1 | -178.2 | -178.2 | 162.9 | 2.4 | 116 | P23 C29 T30 E31 L32 G36 | P23-R34 VanDerWaalsContact CG-CA 3.44Å; C29-R34 HydrophobicContact CB-CG 4.29Å; T30-R34 WeakPolarHBondContact O-CG 3.19Å; T30-R34 PolarHBondContact O-N 3.46Å; E31-R34 VanDerWaalsContact O-CB 3.28Å; E31-R34 WeakPolarHBondContact O-CB 3.25Å; E31-R34 PolarHBondContact O-N 3.01Å; E31-R34 VanDerWaalsContact O-N 3.17Å; L32-R34 PolarHBondContact O-N 2.86Å; R34-G36 VanDerWaalsContact C-N 3.26Å; R34-G36 PolarHBondContact O-N 3.24Å |
| 35 | L | 77.7 | Confident | 77.1 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -73.5 | -17.3 | 177.9 | -62.5 | 172.7 | 0 | 0 | 0 | 113.3 | L7 L32 G33 L38 | L7-L35 HydrophobicContact CD1-CD1 4.13Å; L7-L35 HydrophobicContact CD2-CD1 3.58Å; L7-L35 HydrophobicContact CG-CD1 3.9Å; L32-L35 HydrophobicContact CD2-CD1 4.08Å; L32-L35 WeakPolarHBondContact O-CB 3.37Å; L32-L35 PolarHBondContact O-N 2.62Å; L32-L35 VanDerWaalsContact O-N 3.14Å; G33-L35 PolarHBondContact O-N 3.43Å; G33-L35 VanDerWaalsContact O-N 3.13Å; L35-L38 HydrophobicContact CB-CD2 3.82Å; L35-L38 HydrophobicContact CD1-CD2 4.3Å |
| 36 | G | 87.7 | Confident | 79.5 | Confident | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | trans | 74.1 | -143.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G33 R34 P49 | G33-G36 PolarHBondContact O-N 3.37Å; R34-G36 VanDerWaalsContact C-N 3.26Å; R34-G36 PolarHBondContact O-N 3.24Å; G36-P49 VanDerWaalsContact O-CD 3.22Å; G36-P49 WeakPolarHBondContact O-CD 3.17Å; G36-P49 WeakPolarHBondContact O-CG 3.32Å | ||
| 37 | L | 92.9 | Very high | 81.7 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 18% | 0.183 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -65.8 | 132.8 | 176 | -70.1 | 166.6 | 0 | 0 | 0 | 110.1 | Y14 Q17 V46 W47 K48 | Y14-L37 VanDerWaalsContact CB-O 3.29Å; Y14-L37 WeakPolarHBondContact CB-O 3.27Å; Y14-L37 HydrophobicContact CD1-CB 4.03Å; Y14-L37 HydrophobicContact CD1-CD1 3.85Å; Y14-L37 HydrophobicContact CE1-CD1 4.31Å; Y14-L37 HydrophobicContact CG-CB 4.17Å; Y14-L37 PolarHBondContact N-O 3.35Å; Q17-L37 HydrophobicContact CB-CD1 4.05Å; Q17-L37 HydrophobicContact CG-CD1 3.87Å; L37-V46 HydrophobicContact CB-CG1 4.12Å; L37-V46 HydrophobicContact CD2-CG1 3.54Å; L37-V46 HydrophobicContact CG-CG1 4.29Å; L37-W47 WeakPolarHBondContact CA-O 3.35Å; L37-K48 HydrophobicContact CD2-CB 3.47Å; L37-K48 VanDerWaalsContact CD2-CB 3.47Å; L37-K48 HydrophobicContact CD2-CG 3.83Å |
| 38 | L | 94.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 157.5 | 169.4 | -49.7 | 174.8 | 0 | 0 | 0 | 109.5 | L7 L11 K12 L35 V46 W47 F106 | L7-L38 HydrophobicContact CD1-CD2 3.91Å; L7-L38 HydrophobicContact CD2-CD1 3.86Å; L7-L38 HydrophobicContact CD2-CD2 4.3Å; L11-L38 HydrophobicContact CD1-CD1 4.24Å; K12-L38 CarbonylContact O-C 3.49Å; K12-L38 WeakPolarHBondContact O-CA 3.48Å; L35-L38 HydrophobicContact CB-CD2 3.82Å; L35-L38 HydrophobicContact CD1-CD2 4.3Å; L38-V46 CarbonylContact O-C 3.59Å; L38-V46 VanDerWaalsContact O-CA 3.28Å; L38-V46 WeakPolarHBondContact O-CA 3.43Å; L38-V46 WeakPolarHBondContact O-CG1 3.45Å; L38-W47 HydrophobicContact CB-CB 4.15Å; L38-W47 PolarHBondContact N-O 3.38Å; L38-W47 PolarHBondContact O-N 3.12Å; L38-F106 HydrophobicContact CD1-CE1 3.78Å; L38-F106 HydrophobicContact CD1-CZ 3.9Å; L38-F106 HydrophobicContact CG-CE1 4.13Å |
| 39 | M | 95.9 | Very high | 85.6 | Confident | 15 Ų | 15 | 41 Ų | 41 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.5 | 175.9 | -169 | 168.2 | 64.3 | 0 | 0 | 109.4 | K12 Y14 V46 N111 | K12-M39 HydrophobicContact CD-CE 4.4Å; K12-M39 HydrophobicContact CG-CB 4.44Å; K12-M39 PolarHBondContact N-O 2.86Å; K12-M39 PolarHBondContact O-N 3.31Å; Y14-M39 HydrophobicContact CD2-CB 4.02Å; Y14-M39 HydrophobicContact CD2-CG 4.28Å; Y14-M39 HydrophobicContact CD2-SD 3.78Å; Y14-M39 HydrophobicContact CE2-SD 3.93Å; M39-V46 HydrophobicContact CG-CG2 4.44Å; M39-N111 PolarHBondContact SD-ND2 3.28Å; M39-N111 VanDerWaalsContact SD-ND2 3.4Å |
| 40 | H | 96.5 | Very high | 87.3 | Confident | 47 Ų | 47 | 40.7 Ų | 40.7 | 22% | 0.218 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 147.5 | 170.3 | -169.2 | -92.6 | 0 | 0 | 0 | 110.2 | Y10 N42 G43 I45 | Y10-H40 AromaticContact CD2-CD2 3.74Å; Y10-H40 AromaticContact CD2-NE2 3.88Å; Y10-H40 CarbonylContact O-C 3.58Å; Y10-H40 WeakPolarHBondContact O-CA 3.29Å; H40-N42 PolarHBondContact ND1-N 3.42Å; H40-N42 PolarHBondContact ND1-OD1 2.81Å; H40-N42 PolarHBondContact O-N 2.9Å; H40-G43 WeakPolarHBondContact O-CA 3.36Å; H40-G43 PolarHBondContact O-N 3.05Å; H40-I45 HydrophobicContact CB-CB 4.16Å; H40-I45 PolarHBondContact N-O 3.4Å |
| 41 | E | 95.5 | Very high | 88.6 | Confident | 126 Ų | 126 | 40.2 Ų | 40.2 | 59% | 0.589 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.7 | -173.3 | 64.4 | -177.2 | 172.1 | 0 | 0 | 113.9 | Y10 G43 | Y10-E41 PolarHBondContact O-N 3.21Å; E41-G43 PolarHBondContact O-N 3.21Å |
| 42 | N | 95.3 | Very high | 89.6 | Confident | 68 Ų | 68 | 39 Ų | 39 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.2 | 173.4 | 74.4 | -11.9 | 0 | 0 | 0 | 113.2 | H40 E44 | H40-N42 PolarHBondContact ND1-N 3.42Å; H40-N42 PolarHBondContact ND1-OD1 2.81Å; H40-N42 PolarHBondContact O-N 2.9Å; N42-E44 VanDerWaalsContact C-N 3.26Å; N42-E44 PolarHBondContact ND2-OE2 3.27Å; N42-E44 PolarHBondContact O-N 3.19Å; N42-E44 PolarHBondContact OD1-N 3.5Å |
| 43 | G | 96.2 | Very high | 90.8 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 76.9 | 1.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H40 E41 N111 H114 | H40-G43 WeakPolarHBondContact O-CA 3.36Å; H40-G43 PolarHBondContact O-N 3.05Å; E41-G43 PolarHBondContact O-N 3.21Å; G43-N111 VanDerWaalsContact O-CB 3.31Å; G43-N111 WeakPolarHBondContact O-CB 3.35Å; G43-N111 PolarHBondContact O-ND2 3.36Å; G43-H114 PolarHBondContact O-CD2 3.38Å |
| 44 | E | 97.8 | Very high | 92.3 | Very high | 89 Ų | 89 | 48 Ų | 48 | 42% | 0.416 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -92.1 | -24.3 | -174.7 | -63.2 | -176.7 | 158.5 | 0 | 0 | 113.3 | N42 N111 H114 | N42-E44 VanDerWaalsContact C-N 3.26Å; N42-E44 PolarHBondContact ND2-OE2 3.27Å; N42-E44 PolarHBondContact O-N 3.19Å; N42-E44 PolarHBondContact OD1-N 3.5Å; E44-N111 WeakPolarHBondContact O-CB 3.5Å; E44-N111 PolarHBondContact O-N 2.79Å; E44-H114 IonicContact OE1-CE1 3.25Å |
| 45 | I | 98.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 46 Ų | 46 | 15% | 0.149 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.9 | -172.3 | -56.3 | 178 | 0 | 0 | 0 | 109.8 | H40 Y92 K108 L109 | H40-I45 HydrophobicContact CB-CB 4.16Å; H40-I45 PolarHBondContact N-O 3.4Å; I45-Y92 HydrophobicContact CD1-CD1 4.29Å; I45-Y92 HydrophobicContact CD1-CD2 4.36Å; I45-Y92 HydrophobicContact CD1-CE1 4.45Å; I45-Y92 HydrophobicContact CD1-CG 4.23Å; I45-Y92 HydrophobicContact CG1-CD2 4.22Å; I45-Y92 HydrophobicContact CG1-CE2 4.08Å; I45-Y92 HydrophobicContact CG2-CD2 4.31Å; I45-K108 HydrophobicContact CG2-CB 3.92Å; I45-L109 CarbonylContact C-O 3.58Å; I45-L109 WeakPolarHBondContact CA-O 3.49Å |
| 46 | V | 97.2 | Very high | 94.1 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.3 | 170.1 | 169.4 | 0 | 0 | 0 | 0 | 109.4 | Y14 L37 L38 M39 L109 N111 | Y14-V46 HydrophobicContact CD2-CG2 3.78Å; Y14-V46 HydrophobicContact CE2-CG2 3.65Å; Y14-V46 HydrophobicContact CG-CG2 4.38Å; L37-V46 HydrophobicContact CB-CG1 4.12Å; L37-V46 HydrophobicContact CD2-CG1 3.54Å; L37-V46 HydrophobicContact CG-CG1 4.29Å; L38-V46 CarbonylContact O-C 3.59Å; L38-V46 VanDerWaalsContact O-CA 3.28Å; L38-V46 WeakPolarHBondContact O-CA 3.43Å; L38-V46 WeakPolarHBondContact O-CG1 3.45Å; M39-V46 HydrophobicContact CG-CG2 4.44Å; V46-L109 PolarHBondContact N-O 2.9Å; V46-L109 PolarHBondContact O-N 2.93Å; V46-N111 HydrophobicContact CG2-CB 3.83Å |
| 47 | W | 95.9 | Very high | 94.6 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.6 | 174.3 | -66 | 22.6 | 0 | 0 | 0 | 108.1 | Y10 L11 L37 L38 T95 F106 I107 K108 | Y10-W47 HydrophobicContact CE2-CH2 4.09Å; Y10-W47 HydrophobicContact CE2-CZ2 4.21Å; L11-W47 HydrophobicContact CD1-CD2 4.33Å; L11-W47 HydrophobicContact CD1-CE3 3.78Å; L11-W47 HydrophobicContact CD1-CH2 3.75Å; L11-W47 HydrophobicContact CD1-CZ2 4.29Å; L11-W47 HydrophobicContact CD1-CZ3 3.46Å; L11-W47 VanDerWaalsContact CD1-CZ3 3.46Å; L11-W47 HydrophobicContact CD2-CD2 3.98Å; L11-W47 HydrophobicContact CD2-CE3 4.28Å; L11-W47 HydrophobicContact CD2-CH2 4.25Å; L11-W47 HydrophobicContact CD2-CZ2 3.94Å; L11-W47 HydrophobicContact CD2-CZ3 4.41Å; L37-W47 WeakPolarHBondContact CA-O 3.35Å; L38-W47 HydrophobicContact CB-CB 4.15Å; L38-W47 PolarHBondContact N-O 3.38Å; L38-W47 PolarHBondContact O-N 3.12Å; W47-T95 HydrophobicContact CD2-CG2 3.92Å; W47-T95 HydrophobicContact CE3-CG2 3.63Å; W47-T95 HydrophobicContact CH2-CG2 3.69Å; W47-T95 HydrophobicContact CZ2-CG2 3.96Å; W47-T95 HydrophobicContact CZ3-CG2 3.51Å; W47-F106 HydrophobicContact CB-CB 3.96Å; W47-F106 HydrophobicContact CB-CD1 3.81Å; W47-F106 HydrophobicContact CB-CG 4.11Å; W47-F106 HydrophobicContact CE3-CB 4.24Å; W47-F106 HydrophobicContact CE3-CD2 4.19Å; W47-F106 HydrophobicContact CE3-CG 4.1Å; W47-I107 WeakPolarHBondContact CA-O 3.47Å; W47-K108 HydrophobicContact CD2-CG 4.41Å; W47-K108 HydrophobicContact CG-CG 4.24Å; W47-K108 HydrophobicContact CZ2-CD 4.33Å |
| 48 | K | 94.6 | Very high | 94.8 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 10% | 0.104 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124.4 | 176.5 | 175.1 | -175.6 | -174 | -172.9 | 0 | 109.7 | L37 L50 E59 F106 I107 L109 D253 | L37-K48 HydrophobicContact CD2-CB 3.47Å; L37-K48 VanDerWaalsContact CD2-CB 3.47Å; L37-K48 HydrophobicContact CD2-CG 3.83Å; K48-L50 PolarHBondContact O-N 3.14Å; K48-E59 WeakPolarHBondContact CE-OE2 3.09Å; K48-E59 IonicContact NZ-OE1 2.64Å; K48-E59 PolarHBondContact NZ-OE1 3.24Å; K48-E59 IonicContact NZ-OE2 2.68Å; K48-E59 PolarHBondContact NZ-OE2 3.1Å; K48-F106 CarbonylContact O-C 3.6Å; K48-F106 WeakPolarHBondContact O-CA 3.45Å; K48-I107 HydrophobicContact CB-CG2 3.61Å; K48-I107 HydrophobicContact CD-CG2 4.06Å; K48-I107 HydrophobicContact CG-CG2 4.07Å; K48-I107 PolarHBondContact N-O 3.25Å; K48-I107 WeakPolarHBondContact O-CG2 3.46Å; K48-I107 PolarHBondContact O-N 3.27Å; K48-L109 HydrophobicContact CD-CD1 4.43Å; K48-D253 IonicContact NZ-OD1 2.79Å; K48-D253 PolarHBondContact NZ-OD1 3.48Å |
| 49 | P | 93.2 | Very high | 95 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 16% | 0.156 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 128.7 | 176 | -22.2 | 29.8 | 0 | 0 | 0 | 110.9 | G36 Q51 Q104 F106 | G36-P49 VanDerWaalsContact O-CD 3.22Å; G36-P49 WeakPolarHBondContact O-CD 3.17Å; G36-P49 WeakPolarHBondContact O-CG 3.32Å; P49-Q51 PolarHBondContact O-N 3.41Å; P49-Q104 HydrophobicContact CB-CG 4.5Å; P49-F106 HydrophobicContact CB-CD1 4.32Å; P49-F106 HydrophobicContact CB-CE1 4.22Å; P49-F106 HydrophobicContact CG-CD1 4.04Å; P49-F106 HydrophobicContact CG-CE1 3.73Å |
| 50 | L | 92.7 | Very high | 95.1 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 129.8 | 170.6 | -74 | -176.8 | 0 | 0 | 0 | 109.4 | K48 G56 V94 Q104 S105 I107 | K48-L50 PolarHBondContact O-N 3.14Å; L50-G56 WeakPolarHBondContact CD2-O 3.19Å; L50-V94 HydrophobicContact CD1-CG1 3.92Å; L50-V94 HydrophobicContact CD1-CG2 4.2Å; L50-Q104 PolarHBondContact O-NE2 2.76Å; L50-S105 PolarHBondContact N-O 3.05Å; L50-I107 HydrophobicContact CD2-CB 3.95Å; L50-I107 HydrophobicContact CD2-CG2 4.19Å |
| 51 | Q | 91.3 | Very high | 95.1 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 15% | 0.15 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 155.9 | 173.9 | -62.3 | -170.6 | 49.1 | 0 | 0 | 110.3 | H21 P49 R55 G56 T255 | H21-Q51 PolarHBondContact CE1-OE1 2.95Å; H21-Q51 PolarHBondContact ND1-OE1 3.5Å; P49-Q51 PolarHBondContact O-N 3.41Å; Q51-R55 HydrophobicContact CB-CB 3.97Å; Q51-R55 VanDerWaalsContact OE1-CZ 3.27Å; Q51-G56 VanDerWaalsContact O-CA 3.29Å; Q51-G56 WeakPolarHBondContact O-CA 3.23Å; Q51-G56 PolarHBondContact O-N 2.92Å; Q51-T255 VanDerWaalsContact NE2-CG2 3.35Å |
| 52 | P | 89.2 | Confident | 95.3 | Very high | 84 Ų | 84 | 45.8 Ų | 45.8 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 146.6 | 173.9 | -27.6 | 35 | 0 | 0 | 0 | 112.1 | R55 | P52-R55 PolarHBondContact O-N 3.04Š|
| 53 | P | 91 | Very high | 95.4 | Very high | 114 Ų | 114 | 42.6 Ų | 42.6 | 74% | 0.74 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52 | 149.2 | 175.9 | -27.4 | 35.1 | 0 | 0 | 0 | 112.9 | ||
| 54 | P | 93.3 | Very high | 95.5 | Very high | 95 Ų | 95 | 46 Ų | 46 | 62% | 0.617 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -79.8 | -14.4 | -2.1 | 32.1 | -35.3 | 0 | 0 | 0 | 113.7 | G56 M57 T58 | P54-G56 PolarHBondContact O-N 3.19Å; P54-M57 CarbonylContact O-C 2.93Å; P54-M57 WeakPolarHBondContact O-CA 3.39Å; P54-M57 WeakPolarHBondContact O-CB 3.16Å; P54-M57 PolarHBondContact O-N 2.99Å; P54-T58 PolarHBondContact O-N 2.83Å; P54-T58 PolarHBondContact O-OG1 3.24Å |
| 55 | R | 93.8 | Very high | 95.4 | Very high | 59 Ų | 59 | 45.3 Ų | 45.3 | 22% | 0.223 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.6 | -49.2 | -166.2 | -74.3 | -175.7 | -65.3 | -177.5 | -4.9 | 115.6 | Q51 P52 M57 T58 E59 T255 | Q51-R55 HydrophobicContact CB-CB 3.97Å; Q51-R55 VanDerWaalsContact OE1-CZ 3.27Å; P52-R55 PolarHBondContact O-N 3.04Å; R55-M57 VanDerWaalsContact C-N 3.29Å; R55-M57 PolarHBondContact O-N 3.2Å; R55-T58 PolarHBondContact O-N 2.96Å; R55-E59 PolarHBondContact O-N 2.91Å; R55-E59 VanDerWaalsContact O-N 3.14Å; R55-T255 HydrophobicContact CB-CG2 4.13Å; R55-T255 WeakPolarHBondContact O-CG2 3.31Å |
| 56 | G | 94.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L50 Q51 P54 H60 | L50-G56 WeakPolarHBondContact CD2-O 3.19Å; Q51-G56 VanDerWaalsContact O-CA 3.29Å; Q51-G56 WeakPolarHBondContact O-CA 3.23Å; Q51-G56 PolarHBondContact O-N 2.92Å; P54-G56 PolarHBondContact O-N 3.19Å; G56-H60 WeakPolarHBondContact O-CB 3.49Å; G56-H60 PolarHBondContact O-N 2.96Å |
| 57 | M | 96.3 | Very high | 95.3 | Very high | 99 Ų | 99 | 45.8 Ų | 45.8 | 49% | 0.488 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.1 | -41.4 | 177.5 | -169.4 | 58.8 | 70 | 0 | 0 | 111.6 | P54 R55 E59 H60 L61 | P54-M57 CarbonylContact O-C 2.93Å; P54-M57 WeakPolarHBondContact O-CA 3.39Å; P54-M57 WeakPolarHBondContact O-CB 3.16Å; P54-M57 PolarHBondContact O-N 2.99Å; R55-M57 VanDerWaalsContact C-N 3.29Å; R55-M57 PolarHBondContact O-N 3.2Å; M57-E59 PolarHBondContact O-N 2.91Å; M57-H60 PolarHBondContact O-N 2.8Å; M57-L61 HydrophobicContact CG-CD1 3.89Å; M57-L61 HydrophobicContact CG-CG 4.22Å; M57-L61 WeakPolarHBondContact O-CB 3.41Å; M57-L61 VanDerWaalsContact O-CG 3.31Å; M57-L61 WeakPolarHBondContact O-CG 3.27Å; M57-L61 PolarHBondContact O-N 2.95Å; M57-L61 HydrophobicContact SD-CD1 4.35Å; M57-L61 HydrophobicContact SD-CG 4.16Å |
| 58 | T | 97.7 | Very high | 95.1 | Very high | 40 Ų | 40 | 50 Ų | 50 | 25% | 0.245 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.4 | -48.4 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | P54 R55 L61 F62 V257 | P54-T58 PolarHBondContact O-N 2.83Å; P54-T58 PolarHBondContact O-OG1 3.24Å; R55-T58 PolarHBondContact O-N 2.96Å; T58-L61 PolarHBondContact O-N 3.47Å; T58-F62 WeakPolarHBondContact O-CB 3.49Å; T58-F62 PolarHBondContact O-N 3.39Å; T58-V257 WeakPolarHBondContact CG2-O 3.46Å |
| 59 | E | 98 | Very high | 94.6 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 178.5 | 174 | 161.3 | -138.7 | 0 | 0 | 111.9 | K48 R55 M57 F62 Y63 I107 F254 T255 | K48-E59 WeakPolarHBondContact CE-OE2 3.09Å; K48-E59 IonicContact NZ-OE1 2.64Å; K48-E59 PolarHBondContact NZ-OE1 3.24Å; K48-E59 IonicContact NZ-OE2 2.68Å; K48-E59 PolarHBondContact NZ-OE2 3.1Å; R55-E59 PolarHBondContact O-N 2.91Å; R55-E59 VanDerWaalsContact O-N 3.14Å; M57-E59 PolarHBondContact O-N 2.91Å; E59-F62 PolarHBondContact O-N 2.63Å; E59-Y63 HydrophobicContact CG-CD2 4.08Å; E59-Y63 HydrophobicContact CG-CE2 3.91Å; E59-Y63 VanDerWaalsContact O-CD2 3.27Å; E59-Y63 WeakPolarHBondContact O-CD2 3.27Å; E59-Y63 PolarHBondContact O-N 3.24Å; E59-I107 HydrophobicContact CG-CD1 4.43Å; E59-F254 WeakPolarHBondContact CA-O 3.27Å; E59-F254 HydrophobicContact CB-CB 4.38Å; E59-F254 HydrophobicContact CG-CB 4.15Å; E59-F254 PolarHBondContact OE1-N 2.79Å; E59-T255 HydrophobicContact CB-CG2 4Å; E59-T255 WeakPolarHBondContact OE2-CG2 3.29Å |
| 60 | H | 97.9 | Very high | 94.1 | Very high | 35 Ų | 35 | 62.2 Ų | 62.2 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.7 | -50.3 | 175.8 | 168.1 | 28.1 | 0 | 0 | 0 | 112.3 | G56 M57 F62 Y63 E64 Y91 V94 | G56-H60 WeakPolarHBondContact O-CB 3.49Å; G56-H60 PolarHBondContact O-N 2.96Å; M57-H60 PolarHBondContact O-N 2.8Å; H60-F62 VanDerWaalsContact C-N 3.31Å; H60-F62 PolarHBondContact O-N 3.06Å; H60-Y63 PolarHBondContact O-N 3.33Å; H60-E64 VanDerWaalsContact CE1-CG 3.41Å; H60-E64 WeakPolarHBondContact CE1-CG 3.39Å; H60-E64 IonicContact CE1-OE1 3.97Å; H60-E64 PolarHBondContact CE1-OE1 3.03Å; H60-E64 VanDerWaalsContact CE1-OE1 3.29Å; H60-E64 IonicContact ND1-OE1 3.37Å; H60-E64 PolarHBondContact O-N 3.47Å; H60-Y91 AromaticContact CE1-CZ 3.99Å; H60-Y91 PolarHBondContact CE1-OH 2.85Å; H60-Y91 AromaticContact ND1-CZ 3.67Å; H60-Y91 PolarHBondContact ND1-OH 3.47Å; H60-V94 HydrophobicContact CB-CG2 4.44Å |
| 61 | L | 98.1 | Very high | 93.7 | Very high | 90 Ų | 90 | 62.4 Ų | 62.4 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.7 | -34.7 | -178.8 | -69.9 | 174.3 | 0 | 0 | 0 | 112 | M57 T58 Y63 E64 I65 | M57-L61 HydrophobicContact CG-CD1 3.89Å; M57-L61 HydrophobicContact CG-CG 4.22Å; M57-L61 WeakPolarHBondContact O-CB 3.41Å; M57-L61 VanDerWaalsContact O-CG 3.31Å; M57-L61 WeakPolarHBondContact O-CG 3.27Å; M57-L61 PolarHBondContact O-N 2.95Å; M57-L61 HydrophobicContact SD-CD1 4.35Å; M57-L61 HydrophobicContact SD-CG 4.16Å; T58-L61 PolarHBondContact O-N 3.47Å; L61-Y63 VanDerWaalsContact C-N 3.34Å; L61-Y63 PolarHBondContact O-N 3.13Å; L61-E64 PolarHBondContact O-N 2.9Å; L61-I65 VanDerWaalsContact O-CG1 3.26Å; L61-I65 WeakPolarHBondContact O-CG1 3.09Å; L61-I65 PolarHBondContact O-N 3.01Å |
| 62 | F | 98.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 172.6 | 174.1 | -103.6 | 0 | 0 | 0 | 111.7 | T58 E59 H60 I65 V66 L84 I88 F225 F227 F254 V257 | T58-F62 WeakPolarHBondContact O-CB 3.49Å; T58-F62 PolarHBondContact O-N 3.39Å; E59-F62 PolarHBondContact O-N 2.63Å; H60-F62 VanDerWaalsContact C-N 3.31Å; H60-F62 PolarHBondContact O-N 3.06Å; F62-I65 PolarHBondContact O-N 3.42Å; F62-V66 HydrophobicContact CD2-CG2 4.32Å; F62-V66 HydrophobicContact CE1-CG2 4.05Å; F62-V66 HydrophobicContact CE2-CG2 3.81Å; F62-V66 HydrophobicContact CZ-CG2 3.66Å; F62-V66 WeakPolarHBondContact O-CG2 3.31Å; F62-V66 PolarHBondContact O-N 2.9Å; F62-L84 HydrophobicContact CE2-CD1 4.41Å; F62-L84 HydrophobicContact CZ-CD1 4.21Å; F62-I88 HydrophobicContact CE1-CD1 3.91Å; F62-F225 HydrophobicContact CD2-CD1 4.31Å; F62-F225 HydrophobicContact CD2-CE1 4.27Å; F62-F225 HydrophobicContact CE2-CD1 4.05Å; F62-F225 HydrophobicContact CE2-CE1 4.13Å; F62-F225 HydrophobicContact CE2-CG 4.37Å; F62-F227 HydrophobicContact CE1-CE1 4.32Å; F62-F227 AromaticContact CE2-CE1 3.9Å; F62-F227 HydrophobicContact CE2-CE1 3.9Å; F62-F227 HydrophobicContact CE2-CZ 4.04Å; F62-F227 AromaticContact CZ-CE1 3.6Å; F62-F227 HydrophobicContact CZ-CE1 3.6Å; F62-F227 AromaticContact CZ-CZ 3.93Å; F62-F227 HydrophobicContact CZ-CZ 3.93Å; F62-F254 HydrophobicContact CB-CB 4.33Å; F62-F254 HydrophobicContact CD1-CB 3.54Å; F62-F254 AromaticContact CD1-CD1 3.94Å; F62-F254 HydrophobicContact CD1-CD1 3.94Å; F62-F254 AromaticContact CD1-CD2 3.5Å; F62-F254 HydrophobicContact CD1-CD2 3.5Å; F62-F254 VanDerWaalsContact CD1-CD2 3.5Å; F62-F254 HydrophobicContact CD1-CE2 4.15Å; F62-F254 AromaticContact CD1-CG 3.37Å; F62-F254 HydrophobicContact CD1-CG 3.37Å; F62-F254 HydrophobicContact CE1-CB 4.13Å; F62-F254 AromaticContact CE1-CD1 3.6Å; F62-F254 HydrophobicContact CE1-CD1 3.6Å; F62-F254 AromaticContact CE1-CD2 3.56Å; F62-F254 HydrophobicContact CE1-CD2 3.56Å; F62-F254 AromaticContact CE1-CE1 3.81Å; F62-F254 HydrophobicContact CE1-CE1 3.81Å; F62-F254 AromaticContact CE1-CE2 3.76Å; F62-F254 HydrophobicContact CE1-CE2 3.76Å; F62-F254 AromaticContact CE1-CG 3.47Å; F62-F254 HydrophobicContact CE1-CG 3.47Å; F62-F254 VanDerWaalsContact CE1-CG 3.47Å; F62-F254 AromaticContact CE1-CZ 3.89Å; F62-F254 HydrophobicContact CE1-CZ 3.89Å; F62-F254 HydrophobicContact CG-CB 4.09Å; F62-F254 HydrophobicContact CG-CG 4.33Å; F62-F254 HydrophobicContact CZ-CD1 4.28Å; F62-F254 HydrophobicContact CZ-CE1 4.39Å; F62-F254 HydrophobicContact CZ-CG 4.5Å; F62-V257 HydrophobicContact CD2-CB 4.32Å; F62-V257 HydrophobicContact CD2-CG1 3.74Å; F62-V257 HydrophobicContact CE2-CG1 4.04Å; F62-V257 HydrophobicContact CG-CG1 4.42Å |
| 63 | Y | 98.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 175.5 | -81.8 | -71.9 | 0 | 0 | 0 | 113 | E59 H60 L61 I65 V66 W67 I88 P89 Y91 I107 L109 F254 | E59-Y63 HydrophobicContact CG-CD2 4.08Å; E59-Y63 HydrophobicContact CG-CE2 3.91Å; E59-Y63 VanDerWaalsContact O-CD2 3.27Å; E59-Y63 WeakPolarHBondContact O-CD2 3.27Å; E59-Y63 PolarHBondContact O-N 3.24Å; H60-Y63 PolarHBondContact O-N 3.33Å; L61-Y63 VanDerWaalsContact C-N 3.34Å; L61-Y63 PolarHBondContact O-N 3.13Å; Y63-I65 VanDerWaalsContact C-N 3.32Å; Y63-I65 PolarHBondContact O-N 3.23Å; Y63-V66 PolarHBondContact O-N 2.78Å; Y63-W67 AromaticContact CD1-CD1 3.83Å; Y63-W67 AromaticContact CD1-NE1 3.84Å; Y63-W67 WeakPolarHBondContact O-CB 3.26Å; Y63-W67 PolarHBondContact O-N 2.88Å; Y63-I88 HydrophobicContact CD1-CD1 3.87Å; Y63-I88 HydrophobicContact CE1-CD1 3.76Å; Y63-I88 HydrophobicContact CE1-CG1 4.16Å; Y63-P89 HydrophobicContact CE1-CB 4.5Å; Y63-P89 WeakPolarHBondContact CE1-O 3.3Å; Y63-P89 WeakPolarHBondContact OH-CD 3.43Å; Y63-Y91 VanDerWaalsContact CB-CD2 3.45Å; Y63-Y91 HydrophobicContact CD1-CD2 4.28Å; Y63-Y91 HydrophobicContact CD1-CG 4.36Å; Y63-Y91 HydrophobicContact CD2-CD2 4.36Å; Y63-Y91 AromaticContact CG-CD2 3.82Å; Y63-Y91 HydrophobicContact CG-CD2 3.82Å; Y63-Y91 HydrophobicContact CG-CG 4.19Å; Y63-I107 HydrophobicContact CD2-CD1 3.28Å; Y63-I107 HydrophobicContact CE2-CD1 3.7Å; Y63-I107 HydrophobicContact CG-CD1 4.07Å; Y63-L109 HydrophobicContact CD1-CD2 4.16Å; Y63-L109 HydrophobicContact CD2-CD2 4.13Å; Y63-L109 HydrophobicContact CE1-CD2 3.71Å; Y63-L109 HydrophobicContact CE2-CD1 4.11Å; Y63-L109 HydrophobicContact CE2-CD2 3.66Å; Y63-L109 HydrophobicContact CG-CD2 4.34Å; Y63-L109 VanDerWaalsContact CZ-CD2 3.42Å; Y63-L109 WeakPolarHBondContact OH-CD1 3.34Å; Y63-F254 HydrophobicContact CD2-CD2 4.32Å; Y63-F254 HydrophobicContact CE1-CD2 4.33Å; Y63-F254 HydrophobicContact CE1-CE2 4.04Å; Y63-F254 AromaticContact CE2-CD2 3.61Å; Y63-F254 HydrophobicContact CE2-CD2 3.61Å; Y63-F254 HydrophobicContact CE2-CE2 4.05Å; Y63-F254 AromaticContact CZ-CD2 3.63Å; Y63-F254 AromaticContact CZ-CE2 3.55Å; Y63-F254 WeakPolarHBondContact OH-CE2 3.36Å |
| 64 | E | 97.5 | Very high | 92.2 | Very high | 85 Ų | 85 | 70 Ų | 70 | 40% | 0.397 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 174 | -74.3 | -69.5 | 166.2 | 0 | 0 | 111.4 | H60 L61 R68 Y91 | H60-E64 VanDerWaalsContact CE1-CG 3.41Å; H60-E64 WeakPolarHBondContact CE1-CG 3.39Å; H60-E64 IonicContact CE1-OE1 3.97Å; H60-E64 PolarHBondContact CE1-OE1 3.03Å; H60-E64 VanDerWaalsContact CE1-OE1 3.29Å; H60-E64 IonicContact ND1-OE1 3.37Å; H60-E64 PolarHBondContact O-N 3.47Å; L61-E64 PolarHBondContact O-N 2.9Å; E64-R68 WeakPolarHBondContact O-CB 3.39Å; E64-R68 PolarHBondContact O-N 3.4Å; E64-Y91 HydrophobicContact CG-CE1 4.2Å; E64-Y91 WeakPolarHBondContact OE1-CE1 3.09Å; E64-Y91 PolarHBondContact OE1-OH 2.97Å; E64-Y91 VanDerWaalsContact OE1-OH 3.06Å |
| 65 | I | 95.6 | Very high | 91.8 | Very high | 74 Ų | 74 | 67.9 Ų | 67.9 | 38% | 0.379 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.6 | -55.4 | 173.8 | -69.1 | 164.7 | 0 | 0 | 0 | 109.6 | L61 F62 Y63 W67 R68 Y71 I81 F225 | L61-I65 VanDerWaalsContact O-CG1 3.26Å; L61-I65 WeakPolarHBondContact O-CG1 3.09Å; L61-I65 PolarHBondContact O-N 3.01Å; F62-I65 PolarHBondContact O-N 3.42Å; Y63-I65 VanDerWaalsContact C-N 3.32Å; Y63-I65 PolarHBondContact O-N 3.23Å; I65-W67 PolarHBondContact O-N 2.82Å; I65-R68 PolarHBondContact O-N 3.02Å; I65-Y71 WeakPolarHBondContact CG2-OH 3.42Å; I65-Y71 WeakPolarHBondContact O-CE2 3.33Å; I65-Y71 PolarHBondContact O-OH 2.9Å; I65-I81 HydrophobicContact CG2-CD1 4.38Å; I65-F225 HydrophobicContact CG2-CE1 4.45Å; I65-F225 HydrophobicContact CG2-CZ 4.19Å |
| 66 | V | 97 | Very high | 91.5 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.8 | -37.2 | -174.8 | 175.5 | 0 | 0 | 0 | 0 | 112.7 | F62 Y63 I81 L84 R85 I88 | F62-V66 HydrophobicContact CD2-CG2 4.32Å; F62-V66 HydrophobicContact CE1-CG2 4.05Å; F62-V66 HydrophobicContact CE2-CG2 3.81Å; F62-V66 HydrophobicContact CZ-CG2 3.66Å; F62-V66 WeakPolarHBondContact O-CG2 3.31Å; F62-V66 PolarHBondContact O-N 2.9Å; Y63-V66 PolarHBondContact O-N 2.78Å; V66-I81 HydrophobicContact CG1-CG2 4.3Å; V66-I81 HydrophobicContact CG2-CD1 4.17Å; V66-I81 WeakPolarHBondContact O-CG2 3.36Å; V66-L84 HydrophobicContact CG1-CB 3.95Å; V66-L84 HydrophobicContact CG2-CB 4.35Å; V66-L84 HydrophobicContact CG2-CD1 3.94Å; V66-R85 HydrophobicContact CG1-CG 3.81Å; V66-R85 VanDerWaalsContact O-CZ 3.27Å; V66-R85 PolarHBondContact O-NE 3.4Å; V66-R85 PolarHBondContact O-NH2 2.86Å; V66-I88 HydrophobicContact CB-CD1 3.96Å; V66-I88 HydrophobicContact CG1-CD1 3.59Å; V66-I88 HydrophobicContact CG1-CG1 4.39Å; V66-I88 HydrophobicContact CG2-CD1 4.08Å |
| 67 | W | 96.4 | Very high | 91.3 | Very high | 50 Ų | 50 | 69.9 Ų | 69.9 | 19% | 0.189 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -98.5 | 8.2 | -174.1 | -68.1 | 98.3 | 0 | 0 | 0 | 114.7 | Y63 I65 E69 R85 I88 P89 R90 Y91 | Y63-W67 AromaticContact CD1-CD1 3.83Å; Y63-W67 AromaticContact CD1-NE1 3.84Å; Y63-W67 WeakPolarHBondContact O-CB 3.26Å; Y63-W67 PolarHBondContact O-N 2.88Å; I65-W67 PolarHBondContact O-N 2.82Å; W67-E69 PolarHBondContact O-N 2.77Å; W67-R85 HydrophobicContact CD2-CG 4.24Å; W67-R85 HydrophobicContact CE3-CG 4.05Å; W67-R85 HydrophobicContact CH2-CB 3.78Å; W67-R85 HydrophobicContact CH2-CG 3.95Å; W67-R85 HydrophobicContact CZ2-CB 4.11Å; W67-R85 HydrophobicContact CZ2-CG 4.14Å; W67-R85 HydrophobicContact CZ3-CB 4.12Å; W67-R85 HydrophobicContact CZ3-CG 3.9Å; W67-I88 HydrophobicContact CZ2-CG1 4.5Å; W67-P89 PolarHBondContact NE1-O 2.87Å; W67-P89 VanDerWaalsContact NE1-O 3.17Å; W67-R90 HydrophobicContact CE3-CG 4.5Å; W67-R90 HydrophobicContact CH2-CB 4.22Å; W67-R90 HydrophobicContact CH2-CG 4.16Å; W67-R90 VanDerWaalsContact CZ2-CA 3.47Å; W67-R90 HydrophobicContact CZ2-CB 4.13Å; W67-R90 HydrophobicContact CZ2-CG 4.33Å; W67-R90 HydrophobicContact CZ3-CG 4.25Å; W67-Y91 HydrophobicContact CB-CD1 4.46Å |
| 68 | R | 92 | Very high | 91.1 | Very high | 105 Ų | 105 | 66.1 Ų | 66.1 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | trans | -54.2 | 124.7 | 172 | -156.1 | -175.8 | 66.1 | -164.5 | -5.4 | 111.7 | E64 I65 D70 Y71 D75 R85 | E64-R68 WeakPolarHBondContact O-CB 3.39Å; E64-R68 PolarHBondContact O-N 3.4Å; I65-R68 PolarHBondContact O-N 3.02Å; R68-D70 VanDerWaalsContact C-N 3.28Å; R68-D70 WeakPolarHBondContact CD-OD1 3.28Å; R68-D70 WeakPolarHBondContact CG-OD1 3.42Å; R68-D70 IonicContact CZ-OD1 3.97Å; R68-D70 IonicContact NE-OD1 3.29Å; R68-D70 PolarHBondContact NE-OD1 3Å; R68-D70 IonicContact NH2-OD1 2.71Å; R68-D70 PolarHBondContact O-N 3.4Å; R68-Y71 HydrophobicContact CB-CD2 4.34Å; R68-Y71 HydrophobicContact CB-CE2 3.8Å; R68-Y71 WeakPolarHBondContact O-CD2 3.38Å; R68-D75 IonicContact NH2-OD2 2.84Å; R68-D75 PolarHBondContact NH2-OD2 3.2Å; R68-R85 PolarHBondContact O-NH2 3.15Å | ||
| 69 | E | 85 | Confident | 90.8 | Very high | 193 Ų | 193 | 68.2 Ų | 68.2 | 90% | 0.902 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.2 | -169.8 | -65 | -174.1 | 162 | 0 | 0 | 114.2 | W67 | W67-E69 PolarHBondContact O-N 2.77Š|
| 70 | D | 82 | Confident | 90.5 | Very high | 110 Ų | 110 | 69.9 Ų | 69.9 | 59% | 0.588 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 30.4 | -160.9 | 68.5 | -13.6 | 0 | 0 | 0 | 115.1 | R68 S72 | R68-D70 VanDerWaalsContact C-N 3.28Å; R68-D70 WeakPolarHBondContact CD-OD1 3.28Å; R68-D70 WeakPolarHBondContact CG-OD1 3.42Å; R68-D70 IonicContact CZ-OD1 3.97Å; R68-D70 IonicContact NE-OD1 3.29Å; R68-D70 PolarHBondContact NE-OD1 3Å; R68-D70 IonicContact NH2-OD1 2.71Å; R68-D70 PolarHBondContact O-N 3.4Å; D70-S72 PolarHBondContact O-N 3.02Å |
| 71 | Y | 84.2 | Confident | 90.4 | Very high | 35 Ų | 35 | 68.3 Ų | 68.3 | 14% | 0.137 | 36% | 0.361 | C | S | . | . | trans | -62.9 | 105.4 | 169.3 | -79.7 | -78.2 | 0 | 0 | 0 | 110.1 | I65 R68 D75 M77 I81 | I65-Y71 WeakPolarHBondContact CG2-OH 3.42Å; I65-Y71 WeakPolarHBondContact O-CE2 3.33Å; I65-Y71 PolarHBondContact O-OH 2.9Å; R68-Y71 HydrophobicContact CB-CD2 4.34Å; R68-Y71 HydrophobicContact CB-CE2 3.8Å; R68-Y71 WeakPolarHBondContact O-CD2 3.38Å; Y71-D75 HydrophobicContact CD1-CB 4.2Å; Y71-D75 VanDerWaalsContact CD1-OD2 3.27Å; Y71-D75 WeakPolarHBondContact CD1-OD2 3.48Å; Y71-M77 HydrophobicContact CD1-CB 4.41Å; Y71-M77 HydrophobicContact CE1-CB 3.89Å; Y71-M77 HydrophobicContact CE1-CG 4.29Å; Y71-I81 HydrophobicContact CD1-CG1 4.44Å; Y71-I81 HydrophobicContact CD2-CB 4.49Å; Y71-I81 HydrophobicContact CD2-CG2 3.92Å; Y71-I81 HydrophobicContact CE1-CG1 3.87Å; Y71-I81 HydrophobicContact CE2-CB 4.28Å; Y71-I81 HydrophobicContact CE2-CG1 3.92Å; Y71-I81 HydrophobicContact CE2-CG2 3.7Å | ||
| 72 | S | 82.7 | Confident | 90.2 | Very high | 65 Ų | 65 | 69.8 Ų | 69.8 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | trans | -64.2 | 151.8 | 173.6 | 82.6 | 0 | 0 | 0 | 0 | 110.4 | D70 N74 D75 | D70-S72 PolarHBondContact O-N 3.02Å; S72-N74 PolarHBondContact O-N 3.41Å; S72-N74 PolarHBondContact OG-N 2.92Å; S72-D75 VanDerWaalsContact O-CB 3.29Å; S72-D75 WeakPolarHBondContact O-CB 3.18Å; S72-D75 PolarHBondContact O-N 3.13Å; S72-D75 PolarHBondContact OG-N 3.46Å | ||
| 73 | N | 76.9 | Confident | 90.1 | Very high | 165 Ų | 165 | 71.4 Ų | 71.4 | 88% | 0.882 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.4 | 176.4 | -67.7 | -21.2 | 0 | 0 | 0 | 113.6 | ||
| 74 | N | 80.1 | Confident | 90.1 | Very high | 160 Ų | 160 | 71.3 Ų | 71.3 | 86% | 0.856 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1.6 | 178.2 | -64.6 | -18.9 | 0 | 0 | 0 | 112.9 | S72 A76 | S72-N74 PolarHBondContact O-N 3.41Å; S72-N74 PolarHBondContact OG-N 2.92Å; N74-A76 PolarHBondContact O-N 3.43Å |
| 75 | D | 85.4 | Confident | 90.1 | Very high | 49 Ų | 49 | 70.4 Ų | 70.4 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | trans | -74 | 119.1 | 177.6 | -168.5 | -32.8 | 0 | 0 | 0 | 109.1 | R68 Y71 S72 M77 A78 | R68-D75 IonicContact NH2-OD2 2.84Å; R68-D75 PolarHBondContact NH2-OD2 3.2Å; Y71-D75 HydrophobicContact CD1-CB 4.2Å; Y71-D75 VanDerWaalsContact CD1-OD2 3.27Å; Y71-D75 WeakPolarHBondContact CD1-OD2 3.48Å; S72-D75 VanDerWaalsContact O-CB 3.29Å; S72-D75 WeakPolarHBondContact O-CB 3.18Å; S72-D75 PolarHBondContact O-N 3.13Å; S72-D75 PolarHBondContact OG-N 3.46Å; D75-M77 PolarHBondContact O-N 3.48Å; D75-M77 WeakPolarHBondContact OD1-CA 3.45Å; D75-M77 WeakPolarHBondContact OD1-CB 3.42Å; D75-M77 PolarHBondContact OD1-N 3.33Å; D75-A78 HydrophobicContact CB-CB 4.3Å; D75-A78 WeakPolarHBondContact O-CB 3.37Å; D75-A78 PolarHBondContact O-N 2.91Å | ||
| 76 | A | 87.6 | Confident | 90.1 | Very high | 76 Ų | 76 | 72 Ų | 72 | 63% | 0.628 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -17.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | N74 Y80 | N74-A76 PolarHBondContact O-N 3.43Å; A76-Y80 WeakPolarHBondContact O-CD2 2.8Å |
| 77 | M | 90.5 | Very high | 90.2 | Very high | 26 Ų | 26 | 72.7 Ų | 72.7 | 13% | 0.128 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -25.3 | 175.4 | -139.9 | -29 | 90.9 | 0 | 0 | 113.1 | Y71 D75 Y80 I81 K224 F225 | Y71-M77 HydrophobicContact CD1-CB 4.41Å; Y71-M77 HydrophobicContact CE1-CB 3.89Å; Y71-M77 HydrophobicContact CE1-CG 4.29Å; D75-M77 PolarHBondContact O-N 3.48Å; D75-M77 WeakPolarHBondContact OD1-CA 3.45Å; D75-M77 WeakPolarHBondContact OD1-CB 3.42Å; D75-M77 PolarHBondContact OD1-N 3.33Å; M77-Y80 HydrophobicContact CE-CD2 3.57Å; M77-Y80 HydrophobicContact CE-CG 3.84Å; M77-Y80 PolarHBondContact O-N 3.33Å; M77-Y80 VanDerWaalsContact O-N 3.1Å; M77-I81 HydrophobicContact CB-CG1 4.43Å; M77-I81 HydrophobicContact CG-CD1 4.32Å; M77-I81 HydrophobicContact CG-CG1 4.06Å; M77-I81 WeakPolarHBondContact O-CG1 3.48Å; M77-I81 PolarHBondContact O-N 2.85Å; M77-I81 HydrophobicContact SD-CD1 3.44Å; M77-I81 WeakPolarHBondContact SD-CD1 3.39Å; M77-I81 HydrophobicContact SD-CG1 3.47Å; M77-I81 WeakPolarHBondContact SD-CG1 3.43Å; M77-K224 HydrophobicContact CE-CB 3.21Å; M77-K224 HydrophobicContact CE-CD 3.55Å; M77-K224 HydrophobicContact CE-CG 3.06Å; M77-F225 HydrophobicContact CE-CE2 4.07Å; M77-F225 HydrophobicContact SD-CE2 3.76Å; M77-F225 HydrophobicContact SD-CZ 4.07Å |
| 78 | A | 91.9 | Very high | 90.3 | Very high | 21 Ų | 21 | 70.3 Ų | 70.3 | 17% | 0.174 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -50.6 | -48.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D75 Y80 I81 H82 | D75-A78 HydrophobicContact CB-CB 4.3Å; D75-A78 WeakPolarHBondContact O-CB 3.37Å; D75-A78 PolarHBondContact O-N 2.91Å; A78-Y80 VanDerWaalsContact C-N 3.33Å; A78-Y80 PolarHBondContact O-N 3.3Å; A78-I81 PolarHBondContact O-N 3.11Å; A78-H82 WeakPolarHBondContact O-CB 2.95Å; A78-H82 PolarHBondContact O-N 3.35Å |
| 79 | P | 90.6 | Very high | 90.6 | Very high | 83 Ų | 83 | 65.5 Ų | 65.5 | 54% | 0.539 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | -179.6 | 23.6 | -33.3 | 0 | 0 | 0 | 112.6 | H82 F83 | P79-H82 PolarHBondContact O-N 3.23Å; P79-F83 PolarHBondContact O-N 3.22Å |
| 80 | Y | 93 | Very high | 91.2 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 178.8 | -58.5 | -75 | 0 | 0 | 0 | 111.7 | A76 M77 A78 F83 L84 W218 D221 Q222 K224 | A76-Y80 WeakPolarHBondContact O-CD2 2.8Å; M77-Y80 HydrophobicContact CE-CD2 3.57Å; M77-Y80 HydrophobicContact CE-CG 3.84Å; M77-Y80 PolarHBondContact O-N 3.33Å; M77-Y80 VanDerWaalsContact O-N 3.1Å; A78-Y80 VanDerWaalsContact C-N 3.33Å; A78-Y80 PolarHBondContact O-N 3.3Å; Y80-F83 PolarHBondContact O-N 3.09Å; Y80-L84 WeakPolarHBondContact O-CG 3.26Å; Y80-L84 PolarHBondContact O-N 3.19Å; Y80-W218 HydrophobicContact CD1-CZ2 4.49Å; Y80-W218 AromaticContact CD1-NE1 3.84Å; Y80-W218 PolarHBondContact O-NE1 3.08Å; Y80-D221 WeakPolarHBondContact CE1-OD2 3.33Å; Y80-D221 PolarHBondContact OH-OD2 2.85Å; Y80-Q222 HydrophobicContact CD1-CB 3.52Å; Y80-Q222 HydrophobicContact CE1-CB 3.69Å; Y80-K224 HydrophobicContact CD2-CG 4.38Å |
| 81 | I | 95.4 | Very high | 92 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -42 | 175.8 | -64.5 | -50.4 | 0 | 0 | 0 | 111.8 | I65 V66 Y71 M77 A78 F83 L84 R85 F225 | I65-I81 HydrophobicContact CG2-CD1 4.38Å; V66-I81 HydrophobicContact CG1-CG2 4.3Å; V66-I81 HydrophobicContact CG2-CD1 4.17Å; V66-I81 WeakPolarHBondContact O-CG2 3.36Å; Y71-I81 HydrophobicContact CD1-CG1 4.44Å; Y71-I81 HydrophobicContact CD2-CB 4.49Å; Y71-I81 HydrophobicContact CD2-CG2 3.92Å; Y71-I81 HydrophobicContact CE1-CG1 3.87Å; Y71-I81 HydrophobicContact CE2-CB 4.28Å; Y71-I81 HydrophobicContact CE2-CG1 3.92Å; Y71-I81 HydrophobicContact CE2-CG2 3.7Å; M77-I81 HydrophobicContact CB-CG1 4.43Å; M77-I81 HydrophobicContact CG-CD1 4.32Å; M77-I81 HydrophobicContact CG-CG1 4.06Å; M77-I81 WeakPolarHBondContact O-CG1 3.48Å; M77-I81 PolarHBondContact O-N 2.85Å; M77-I81 HydrophobicContact SD-CD1 3.44Å; M77-I81 WeakPolarHBondContact SD-CD1 3.39Å; M77-I81 HydrophobicContact SD-CG1 3.47Å; M77-I81 WeakPolarHBondContact SD-CG1 3.43Å; A78-I81 PolarHBondContact O-N 3.11Å; I81-F83 VanDerWaalsContact C-N 3.31Å; I81-F83 PolarHBondContact O-N 2.93Å; I81-L84 HydrophobicContact CD1-CD1 4.26Å; I81-L84 PolarHBondContact O-N 3.44Å; I81-L84 VanDerWaalsContact O-N 3.17Å; I81-R85 HydrophobicContact CG2-CG 4.41Å; I81-R85 WeakPolarHBondContact O-CG 3.31Å; I81-R85 PolarHBondContact O-N 3.12Å; I81-F225 HydrophobicContact CD1-CE2 4.1Å; I81-F225 HydrophobicContact CD1-CZ 4.07Å |
| 82 | H | 94.2 | Very high | 92.6 | Very high | 122 Ų | 122 | 60.3 Ų | 60.3 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59 | -44.9 | -179.7 | -176.2 | 69.1 | 0 | 0 | 0 | 111.4 | A78 P79 R85 | A78-H82 WeakPolarHBondContact O-CB 2.95Å; A78-H82 PolarHBondContact O-N 3.35Å; P79-H82 PolarHBondContact O-N 3.23Å; H82-R85 PolarHBondContact O-N 2.81Å |
| 83 | F | 96.2 | Very high | 93.4 | Very high | 40 Ų | 40 | 58 Ų | 58 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 174.4 | -174.7 | -88.1 | 0 | 0 | 0 | 111.9 | P79 Y80 I81 R85 M86 V87 A214 L215 W218 | P79-F83 PolarHBondContact O-N 3.22Å; Y80-F83 PolarHBondContact O-N 3.09Å; I81-F83 VanDerWaalsContact C-N 3.31Å; I81-F83 PolarHBondContact O-N 2.93Å; F83-R85 VanDerWaalsContact C-N 3.29Å; F83-R85 PolarHBondContact O-N 3.39Å; F83-M86 WeakPolarHBondContact O-CA 3.43Å; F83-M86 VanDerWaalsContact O-CB 3.31Å; F83-M86 WeakPolarHBondContact O-CB 3.31Å; F83-M86 PolarHBondContact O-N 3.31Å; F83-V87 HydrophobicContact CD1-CG1 4.31Å; F83-V87 HydrophobicContact CD1-CG2 3.95Å; F83-V87 HydrophobicContact CE1-CB 4.34Å; F83-V87 HydrophobicContact CE1-CG1 3.66Å; F83-V87 HydrophobicContact CE1-CG2 3.74Å; F83-V87 HydrophobicContact CZ-CG1 3.79Å; F83-V87 PolarHBondContact O-N 3.34Å; F83-A214 HydrophobicContact CE2-CB 4.36Å; F83-A214 HydrophobicContact CZ-CB 4.38Å; F83-A214 WeakPolarHBondContact CZ-O 3.3Å; F83-L215 HydrophobicContact CE1-CD1 3.79Å; F83-L215 HydrophobicContact CZ-CD1 4.41Å; F83-W218 VanDerWaalsContact CB-CD1 3.45Å; F83-W218 HydrophobicContact CB-CG 4.33Å; F83-W218 HydrophobicContact CD1-CB 3.64Å; F83-W218 AromaticContact CD1-CD1 3.25Å; F83-W218 AromaticContact CD1-CD2 3.79Å; F83-W218 HydrophobicContact CD1-CD2 3.79Å; F83-W218 AromaticContact CD1-CG 3.25Å; F83-W218 HydrophobicContact CD1-CG 3.25Å; F83-W218 AromaticContact CD1-NE1 3.71Å; F83-W218 HydrophobicContact CD2-CB 4.42Å; F83-W218 HydrophobicContact CE1-CB 3.46Å; F83-W218 VanDerWaalsContact CE1-CB 3.46Å; F83-W218 HydrophobicContact CE1-CD2 4.16Å; F83-W218 AromaticContact CE1-CG 3.59Å; F83-W218 HydrophobicContact CE1-CG 3.59Å; F83-W218 HydrophobicContact CE2-CB 4.28Å; F83-W218 HydrophobicContact CG-CB 4.13Å; F83-W218 AromaticContact CG-CD1 3.34Å; F83-W218 AromaticContact CG-CG 3.79Å; F83-W218 HydrophobicContact CG-CG 3.79Å; F83-W218 AromaticContact CG-NE1 3.93Å; F83-W218 HydrophobicContact CZ-CB 3.81Å; F83-W218 HydrophobicContact CZ-CG 4.35Å |
| 84 | L | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.5 | -42.3 | 177.6 | -76.3 | 174.1 | 0 | 0 | 0 | 112.2 | F62 V66 Y80 I81 M86 V87 I88 W218 F225 F227 M251 | F62-L84 HydrophobicContact CE2-CD1 4.41Å; F62-L84 HydrophobicContact CZ-CD1 4.21Å; V66-L84 HydrophobicContact CG1-CB 3.95Å; V66-L84 HydrophobicContact CG2-CB 4.35Å; V66-L84 HydrophobicContact CG2-CD1 3.94Å; Y80-L84 WeakPolarHBondContact O-CG 3.26Å; Y80-L84 PolarHBondContact O-N 3.19Å; I81-L84 HydrophobicContact CD1-CD1 4.26Å; I81-L84 PolarHBondContact O-N 3.44Å; I81-L84 VanDerWaalsContact O-N 3.17Å; L84-M86 PolarHBondContact O-N 3.47Å; L84-M86 VanDerWaalsContact O-N 3.12Å; L84-V87 HydrophobicContact CD2-CG2 4.37Å; L84-V87 CarbonylContact O-C 3.59Å; L84-V87 PolarHBondContact O-N 2.88Å; L84-I88 HydrophobicContact CD2-CG2 4.29Å; L84-I88 WeakPolarHBondContact O-CG1 3.46Å; L84-I88 WeakPolarHBondContact O-CG2 3.47Å; L84-I88 PolarHBondContact O-N 2.92Å; L84-W218 HydrophobicContact CD1-CH2 4.1Å; L84-W218 HydrophobicContact CD1-CZ2 3.83Å; L84-W218 HydrophobicContact CD2-CH2 3.66Å; L84-W218 HydrophobicContact CD2-CZ2 3.79Å; L84-W218 HydrophobicContact CD2-CZ3 4.16Å; L84-W218 HydrophobicContact CG-CH2 3.98Å; L84-W218 HydrophobicContact CG-CZ2 3.6Å; L84-F225 HydrophobicContact CD1-CD2 4.05Å; L84-F225 HydrophobicContact CD1-CE2 3.85Å; L84-F227 HydrophobicContact CD2-CZ 4.2Å; L84-M251 HydrophobicContact CD2-SD 4.36Å |
| 85 | R | 96.9 | Very high | 95.1 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 25% | 0.253 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.1 | -25.7 | 175.6 | -71.2 | 174.8 | -178.7 | -178.4 | -0.5 | 113.7 | V66 W67 R68 I81 H82 F83 | V66-R85 HydrophobicContact CG1-CG 3.81Å; V66-R85 VanDerWaalsContact O-CZ 3.27Å; V66-R85 PolarHBondContact O-NE 3.4Å; V66-R85 PolarHBondContact O-NH2 2.86Å; W67-R85 HydrophobicContact CD2-CG 4.24Å; W67-R85 HydrophobicContact CE3-CG 4.05Å; W67-R85 HydrophobicContact CH2-CB 3.78Å; W67-R85 HydrophobicContact CH2-CG 3.95Å; W67-R85 HydrophobicContact CZ2-CB 4.11Å; W67-R85 HydrophobicContact CZ2-CG 4.14Å; W67-R85 HydrophobicContact CZ3-CB 4.12Å; W67-R85 HydrophobicContact CZ3-CG 3.9Å; R68-R85 PolarHBondContact O-NH2 3.15Å; I81-R85 HydrophobicContact CG2-CG 4.41Å; I81-R85 WeakPolarHBondContact O-CG 3.31Å; I81-R85 PolarHBondContact O-N 3.12Å; H82-R85 PolarHBondContact O-N 2.81Å; F83-R85 VanDerWaalsContact C-N 3.29Å; F83-R85 PolarHBondContact O-N 3.39Å |
| 86 | M | 96.8 | Very high | 95.4 | Very high | 106 Ų | 106 | 48 Ų | 48 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -80.6 | -30.5 | 176 | -59.7 | 176.6 | 63.7 | 0 | 0 | 112.4 | F83 L84 K250 | F83-M86 WeakPolarHBondContact O-CA 3.43Å; F83-M86 VanDerWaalsContact O-CB 3.31Å; F83-M86 WeakPolarHBondContact O-CB 3.31Å; F83-M86 PolarHBondContact O-N 3.31Å; L84-M86 PolarHBondContact O-N 3.47Å; L84-M86 VanDerWaalsContact O-N 3.12Å; M86-K250 PolarHBondContact O-NZ 2.92Å |
| 87 | V | 98.1 | Very high | 95.6 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 10% | 0.097 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -110.4 | -0.9 | -171.4 | -58.8 | 0 | 0 | 0 | 0 | 114.7 | F83 L84 L215 K250 M251 | F83-V87 HydrophobicContact CD1-CG1 4.31Å; F83-V87 HydrophobicContact CD1-CG2 3.95Å; F83-V87 HydrophobicContact CE1-CB 4.34Å; F83-V87 HydrophobicContact CE1-CG1 3.66Å; F83-V87 HydrophobicContact CE1-CG2 3.74Å; F83-V87 HydrophobicContact CZ-CG1 3.79Å; F83-V87 PolarHBondContact O-N 3.34Å; L84-V87 HydrophobicContact CD2-CG2 4.37Å; L84-V87 CarbonylContact O-C 3.59Å; L84-V87 PolarHBondContact O-N 2.88Å; V87-L215 HydrophobicContact CG2-CD1 4.24Å; V87-K250 CarbonylContact O-C 3.49Å; V87-K250 VanDerWaalsContact O-CA 3.22Å; V87-K250 WeakPolarHBondContact O-CA 3.44Å; V87-K250 WeakPolarHBondContact O-CD 3.26Å; V87-M251 HydrophobicContact CG2-SD 4.06Å; V87-M251 PolarHBondContact O-N 3.43Å |
| 88 | I | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -115.9 | 162.6 | 170.9 | 81.6 | 175.8 | 0 | 0 | 0 | 110.9 | F62 Y63 V66 W67 L84 K250 M251 F254 | F62-I88 HydrophobicContact CE1-CD1 3.91Å; Y63-I88 HydrophobicContact CD1-CD1 3.87Å; Y63-I88 HydrophobicContact CE1-CD1 3.76Å; Y63-I88 HydrophobicContact CE1-CG1 4.16Å; V66-I88 HydrophobicContact CB-CD1 3.96Å; V66-I88 HydrophobicContact CG1-CD1 3.59Å; V66-I88 HydrophobicContact CG1-CG1 4.39Å; V66-I88 HydrophobicContact CG2-CD1 4.08Å; W67-I88 HydrophobicContact CZ2-CG1 4.5Å; L84-I88 HydrophobicContact CD2-CG2 4.29Å; L84-I88 WeakPolarHBondContact O-CG1 3.46Å; L84-I88 WeakPolarHBondContact O-CG2 3.47Å; L84-I88 PolarHBondContact O-N 2.92Å; I88-K250 PolarHBondContact O-NZ 3.14Å; I88-M251 HydrophobicContact CG2-CB 4.18Å; I88-F254 HydrophobicContact CB-CE2 4.09Å; I88-F254 HydrophobicContact CB-CZ 3.91Å; I88-F254 HydrophobicContact CD1-CE2 4.4Å; I88-F254 HydrophobicContact CG2-CE1 4.36Å; I88-F254 HydrophobicContact CG2-CE2 4.16Å; I88-F254 HydrophobicContact CG2-CZ 3.53Å |
| 89 | P | 98.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 145.7 | 173.2 | -24.1 | 33.6 | 0 | 0 | 0 | 112.9 | Y63 W67 Y91 L109 E110 I112 M251 I252 | Y63-P89 HydrophobicContact CE1-CB 4.5Å; Y63-P89 WeakPolarHBondContact CE1-O 3.3Å; Y63-P89 WeakPolarHBondContact OH-CD 3.43Å; W67-P89 PolarHBondContact NE1-O 2.87Å; W67-P89 VanDerWaalsContact NE1-O 3.17Å; P89-Y91 PolarHBondContact O-N 3.45Å; P89-L109 HydrophobicContact CB-CB 4.16Å; P89-L109 HydrophobicContact CB-CD2 4.49Å; P89-E110 HydrophobicContact CB-CB 4.12Å; P89-I112 HydrophobicContact CG-CD1 4.06Å; P89-I112 HydrophobicContact CG-CG1 4.39Å; P89-M251 WeakPolarHBondContact CD-O 3.41Å; P89-I252 HydrophobicContact CG-CG2 4.2Å |
| 90 | R | 98.1 | Very high | 94.3 | Very high | 122 Ų | 122 | 54.7 Ų | 54.7 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 137.9 | 165.7 | -169.7 | 174.1 | 178 | 83.7 | 1.3 | 111.4 | W67 Y92 L109 E110 | W67-R90 HydrophobicContact CE3-CG 4.5Å; W67-R90 HydrophobicContact CH2-CB 4.22Å; W67-R90 HydrophobicContact CH2-CG 4.16Å; W67-R90 VanDerWaalsContact CZ2-CA 3.47Å; W67-R90 HydrophobicContact CZ2-CB 4.13Å; W67-R90 HydrophobicContact CZ2-CG 4.33Å; W67-R90 HydrophobicContact CZ3-CG 4.25Å; R90-Y92 HydrophobicContact CB-CE2 4.12Å; R90-Y92 HydrophobicContact CG-CE1 4.36Å; R90-Y92 HydrophobicContact CG-CE2 4.24Å; R90-L109 CarbonylContact O-C 3.57Å; R90-L109 VanDerWaalsContact O-CA 3.3Å; R90-L109 WeakPolarHBondContact O-CA 3.25Å; R90-E110 HydrophobicContact CB-CB 3.92Å; R90-E110 PolarHBondContact N-OE2 3.33Å; R90-E110 PolarHBondContact O-N 3.07Å |
| 91 | Y | 98.4 | Very high | 93.6 | Very high | 23 Ų | 23 | 61 Ų | 61 | 9% | 0.09 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.2 | 177.1 | 178.4 | -112.3 | 0 | 0 | 0 | 111.5 | H60 Y63 E64 W67 P89 G93 V94 I107 L109 | H60-Y91 AromaticContact CE1-CZ 3.99Å; H60-Y91 PolarHBondContact CE1-OH 2.85Å; H60-Y91 AromaticContact ND1-CZ 3.67Å; H60-Y91 PolarHBondContact ND1-OH 3.47Å; Y63-Y91 VanDerWaalsContact CB-CD2 3.45Å; Y63-Y91 HydrophobicContact CD1-CD2 4.28Å; Y63-Y91 HydrophobicContact CD1-CG 4.36Å; Y63-Y91 HydrophobicContact CD2-CD2 4.36Å; Y63-Y91 AromaticContact CG-CD2 3.82Å; Y63-Y91 HydrophobicContact CG-CD2 3.82Å; Y63-Y91 HydrophobicContact CG-CG 4.19Å; E64-Y91 HydrophobicContact CG-CE1 4.2Å; E64-Y91 WeakPolarHBondContact OE1-CE1 3.09Å; E64-Y91 PolarHBondContact OE1-OH 2.97Å; E64-Y91 VanDerWaalsContact OE1-OH 3.06Å; W67-Y91 HydrophobicContact CB-CD1 4.46Å; P89-Y91 PolarHBondContact O-N 3.45Å; Y91-G93 VanDerWaalsContact OH-C 3.27Å; Y91-G93 WeakPolarHBondContact OH-CA 3.01Å; Y91-V94 PolarHBondContact OH-N 3.12Å; Y91-I107 HydrophobicContact CD2-CD1 3.76Å; Y91-I107 HydrophobicContact CD2-CG1 3.86Å; Y91-I107 HydrophobicContact CE2-CD1 3.53Å; Y91-I107 HydrophobicContact CE2-CG1 3.57Å; Y91-L109 HydrophobicContact CD2-CD2 4.1Å |
| 92 | Y | 97.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 68.9 Ų | 68.9 | 33% | 0.325 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 15.6 | -178.7 | -61.3 | -84.1 | 0 | 0 | 0 | 113.4 | I45 R90 K108 E110 | I45-Y92 HydrophobicContact CD1-CD1 4.29Å; I45-Y92 HydrophobicContact CD1-CD2 4.36Å; I45-Y92 HydrophobicContact CD1-CE1 4.45Å; I45-Y92 HydrophobicContact CD1-CG 4.23Å; I45-Y92 HydrophobicContact CG1-CD2 4.22Å; I45-Y92 HydrophobicContact CG1-CE2 4.08Å; I45-Y92 HydrophobicContact CG2-CD2 4.31Å; R90-Y92 HydrophobicContact CB-CE2 4.12Å; R90-Y92 HydrophobicContact CG-CE1 4.36Å; R90-Y92 HydrophobicContact CG-CE2 4.24Å; Y92-K108 PolarHBondContact N-O 3.41Å; Y92-K108 WeakPolarHBondContact O-CE 3.45Å; Y92-K108 PolarHBondContact O-NZ 2.83Å; Y92-E110 HydrophobicContact CE2-CB 4.23Å |
| 93 | G | 97.8 | Very high | 92.5 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.4 | -179 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y91 K108 | Y91-G93 VanDerWaalsContact OH-C 3.27Å; Y91-G93 WeakPolarHBondContact OH-CA 3.01Å; G93-K108 PolarHBondContact O-N 3.16Å |
| 94 | V | 97.3 | Very high | 92.2 | Very high | 56 Ų | 56 | 64.2 Ų | 64.2 | 34% | 0.339 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 148.9 | 170.1 | 174.9 | 0 | 0 | 0 | 0 | 109.9 | L50 H60 Y91 F106 | L50-V94 HydrophobicContact CD1-CG1 3.92Å; L50-V94 HydrophobicContact CD1-CG2 4.2Å; H60-V94 HydrophobicContact CB-CG2 4.44Å; Y91-V94 PolarHBondContact OH-N 3.12Å; V94-F106 CarbonylContact C-O 3.57Å; V94-F106 VanDerWaalsContact CA-O 3.32Å; V94-F106 WeakPolarHBondContact CA-O 3.37Å |
| 95 | T | 95.6 | Very high | 92 | Very high | 40 Ų | 40 | 66.1 Ų | 66.1 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 163.3 | 170.4 | -168.2 | 0 | 0 | 0 | 0 | 109.9 | W47 S105 F106 K108 | W47-T95 HydrophobicContact CD2-CG2 3.92Å; W47-T95 HydrophobicContact CE3-CG2 3.63Å; W47-T95 HydrophobicContact CH2-CG2 3.69Å; W47-T95 HydrophobicContact CZ2-CG2 3.96Å; W47-T95 HydrophobicContact CZ3-CG2 3.51Å; T95-S105 CarbonylContact O-C 3.48Å; T95-S105 WeakPolarHBondContact O-CA 3.45Å; T95-F106 HydrophobicContact CG2-CB 4.15Å; T95-F106 PolarHBondContact N-O 2.88Å; T95-F106 PolarHBondContact O-N 2.92Å; T95-K108 HydrophobicContact CG2-CD 3.92Å; T95-K108 HydrophobicContact CG2-CG 3.89Å |
| 96 | S | 93.2 | Very high | 91.9 | Very high | 69 Ų | 69 | 62.9 Ų | 62.9 | 48% | 0.483 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 146.8 | 174.1 | -68 | 0 | 0 | 0 | 0 | 110.7 | Q104 S105 | S96-Q104 WeakPolarHBondContact CA-O 3.29Å; S96-S105 PolarHBondContact OG-OG 2.85Å |
| 97 | L | 91.5 | Very high | 91.9 | Very high | 25 Ų | 25 | 57.9 Ų | 57.9 | 13% | 0.131 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.7 | 173.7 | -177.4 | 63.5 | 0 | 0 | 0 | 109.3 | L7 P8 L11 L32 A103 Q104 F106 | L7-L97 HydrophobicContact CD2-CD2 3.88Å; P8-L97 HydrophobicContact CG-CD1 3.66Å; L11-L97 HydrophobicContact CD1-CD2 4.23Å; L32-L97 HydrophobicContact CD1-CB 4.26Å; L32-L97 HydrophobicContact CD1-CD2 4.34Å; L32-L97 HydrophobicContact CD1-CG 3.95Å; L32-L97 VanDerWaalsContact CD1-O 3.25Å; L32-L97 WeakPolarHBondContact CD1-O 3.45Å; L32-L97 HydrophobicContact CD2-CD2 3.57Å; L32-L97 HydrophobicContact CD2-CG 4.09Å; L97-A103 CarbonylContact O-C 3.52Å; L97-A103 WeakPolarHBondContact O-CA 3.28Å; L97-Q104 PolarHBondContact N-O 3.35Å; L97-Q104 PolarHBondContact O-N 2.83Å; L97-F106 HydrophobicContact CB-CD2 4.44Å; L97-F106 HydrophobicContact CB-CE2 3.89Å |
| 98 | G | 86.5 | Confident | 91.9 | Very high | 46 Ų | 46 | 59.8 Ų | 59.8 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 99 | 174.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 99 | E | 81.7 | Confident | 91.9 | Very high | 167 Ų | 167 | 60.4 Ų | 60.4 | 78% | 0.78 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -109.4 | 141.4 | -174.3 | -66.1 | 173.8 | -172.2 | 0 | 0 | 111 | D101 K102 | E99-D101 PolarHBondContact O-N 3.21Å; E99-K102 PolarHBondContact O-N 2.91Å; E99-K102 VanDerWaalsContact O-N 3.09Å |
| 100 | S | 77.9 | Confident | 91.9 | Very high | 107 Ų | 107 | 63.3 Ų | 63.3 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | 47.4 | -131.6 | 171 | -53 | 0 | 0 | 0 | 0 | 112.6 | K102 A103 | S100-K102 PolarHBondContact O-N 2.83Å; S100-A103 VanDerWaalsContact O-CB 3.3Å; S100-A103 WeakPolarHBondContact O-CB 3.37Å; S100-A103 PolarHBondContact O-N 2.85Å; S100-A103 VanDerWaalsContact O-N 3.08Å |
| 101 | D | 77.7 | Confident | 91.9 | Very high | 170 Ų | 170 | 58 Ų | 58 | 91% | 0.909 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -67.6 | -7.7 | -175.3 | -53.9 | -36.2 | 0 | 0 | 0 | 114.5 | E99 | E99-D101 PolarHBondContact O-N 3.21Š|
| 102 | K | 78.4 | Confident | 91.9 | Very high | 167 Ų | 167 | 57.7 Ų | 57.7 | 73% | 0.726 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -98.7 | 1.6 | 176.4 | -63.3 | -176.2 | -177.1 | 177.1 | 0 | 112.7 | E99 S100 Q104 | E99-K102 PolarHBondContact O-N 2.91Å; E99-K102 VanDerWaalsContact O-N 3.09Å; S100-K102 PolarHBondContact O-N 2.83Å; K102-Q104 PolarHBondContact O-N 3.19Å |
| 103 | A | 87.2 | Confident | 91.8 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 31% | 0.314 | 31% | 0.311 | S | S | . | . | trans | -62.2 | 136.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L97 S100 | L97-A103 CarbonylContact O-C 3.52Å; L97-A103 WeakPolarHBondContact O-CA 3.28Å; S100-A103 VanDerWaalsContact O-CB 3.3Å; S100-A103 WeakPolarHBondContact O-CB 3.37Å; S100-A103 PolarHBondContact O-N 2.85Å; S100-A103 VanDerWaalsContact O-N 3.08Å | ||
| 104 | Q | 90.4 | Very high | 91.8 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.9 | 169.7 | 176.6 | 62.9 | 62.7 | 0 | 0 | 108.3 | T30 L32 P49 L50 S96 L97 K102 F106 | T30-Q104 PolarHBondContact OG1-OE1 2.77Å; T30-Q104 VanDerWaalsContact OG1-OE1 3.08Å; L32-Q104 HydrophobicContact CB-CB 3.87Å; P49-Q104 HydrophobicContact CB-CG 4.5Å; L50-Q104 PolarHBondContact O-NE2 2.76Å; S96-Q104 WeakPolarHBondContact CA-O 3.29Å; L97-Q104 PolarHBondContact N-O 3.35Å; L97-Q104 PolarHBondContact O-N 2.83Å; K102-Q104 PolarHBondContact O-N 3.19Å; Q104-F106 HydrophobicContact CB-CE2 3.72Å; Q104-F106 HydrophobicContact CB-CZ 4.12Å; Q104-F106 HydrophobicContact CG-CD2 4.13Å; Q104-F106 HydrophobicContact CG-CE1 4.27Å; Q104-F106 HydrophobicContact CG-CE2 3.44Å; Q104-F106 VanDerWaalsContact CG-CE2 3.44Å; Q104-F106 HydrophobicContact CG-CZ 3.52Å; Q104-F106 WeakPolarHBondContact O-CD2 3.37Å; Q104-F106 WeakPolarHBondContact O-CE2 3.41Å |
| 105 | S | 93.1 | Very high | 91.7 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 28% | 0.28 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 145.8 | 172.6 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | L50 T95 S96 | L50-S105 PolarHBondContact N-O 3.05Å; T95-S105 CarbonylContact O-C 3.48Å; T95-S105 WeakPolarHBondContact O-CA 3.45Å; S96-S105 PolarHBondContact OG-OG 2.85Å |
| 106 | F | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140.3 | -177.5 | -63.2 | -100.3 | 0 | 0 | 0 | 109.8 | L38 W47 K48 P49 V94 T95 L97 Q104 | L38-F106 HydrophobicContact CD1-CE1 3.78Å; L38-F106 HydrophobicContact CD1-CZ 3.9Å; L38-F106 HydrophobicContact CG-CE1 4.13Å; W47-F106 HydrophobicContact CB-CB 3.96Å; W47-F106 HydrophobicContact CB-CD1 3.81Å; W47-F106 HydrophobicContact CB-CG 4.11Å; W47-F106 HydrophobicContact CE3-CB 4.24Å; W47-F106 HydrophobicContact CE3-CD2 4.19Å; W47-F106 HydrophobicContact CE3-CG 4.1Å; K48-F106 CarbonylContact O-C 3.6Å; K48-F106 WeakPolarHBondContact O-CA 3.45Å; P49-F106 HydrophobicContact CB-CD1 4.32Å; P49-F106 HydrophobicContact CB-CE1 4.22Å; P49-F106 HydrophobicContact CG-CD1 4.04Å; P49-F106 HydrophobicContact CG-CE1 3.73Å; V94-F106 CarbonylContact C-O 3.57Å; V94-F106 VanDerWaalsContact CA-O 3.32Å; V94-F106 WeakPolarHBondContact CA-O 3.37Å; T95-F106 HydrophobicContact CG2-CB 4.15Å; T95-F106 PolarHBondContact N-O 2.88Å; T95-F106 PolarHBondContact O-N 2.92Å; L97-F106 HydrophobicContact CB-CD2 4.44Å; L97-F106 HydrophobicContact CB-CE2 3.89Å; Q104-F106 HydrophobicContact CB-CE2 3.72Å; Q104-F106 HydrophobicContact CB-CZ 4.12Å; Q104-F106 HydrophobicContact CG-CD2 4.13Å; Q104-F106 HydrophobicContact CG-CE1 4.27Å; Q104-F106 HydrophobicContact CG-CE2 3.44Å; Q104-F106 VanDerWaalsContact CG-CE2 3.44Å; Q104-F106 HydrophobicContact CG-CZ 3.52Å; Q104-F106 WeakPolarHBondContact O-CD2 3.37Å; Q104-F106 WeakPolarHBondContact O-CE2 3.41Å |
| 107 | I | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129 | 162.7 | -175.5 | 164.1 | 0 | 0 | 0 | 109.2 | W47 K48 L50 E59 Y63 Y91 L109 | W47-I107 WeakPolarHBondContact CA-O 3.47Å; K48-I107 HydrophobicContact CB-CG2 3.61Å; K48-I107 HydrophobicContact CD-CG2 4.06Å; K48-I107 HydrophobicContact CG-CG2 4.07Å; K48-I107 PolarHBondContact N-O 3.25Å; K48-I107 WeakPolarHBondContact O-CG2 3.46Å; K48-I107 PolarHBondContact O-N 3.27Å; L50-I107 HydrophobicContact CD2-CB 3.95Å; L50-I107 HydrophobicContact CD2-CG2 4.19Å; E59-I107 HydrophobicContact CG-CD1 4.43Å; Y63-I107 HydrophobicContact CD2-CD1 3.28Å; Y63-I107 HydrophobicContact CE2-CD1 3.7Å; Y63-I107 HydrophobicContact CG-CD1 4.07Å; Y91-I107 HydrophobicContact CD2-CD1 3.76Å; Y91-I107 HydrophobicContact CD2-CG1 3.86Å; Y91-I107 HydrophobicContact CE2-CD1 3.53Å; Y91-I107 HydrophobicContact CE2-CG1 3.57Å; I107-L109 HydrophobicContact CD1-CD2 3.89Å; I107-L109 HydrophobicContact CD1-CG 4.43Å; I107-L109 HydrophobicContact CG1-CD2 3.78Å; I107-L109 HydrophobicContact CG1-CG 4Å; I107-L109 HydrophobicContact CG2-CD1 4.19Å; I107-L109 HydrophobicContact CG2-CG 4.31Å |
| 108 | K | 98.1 | Very high | 92.1 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 24% | 0.243 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119.8 | 177 | -62.6 | -175.8 | -64.1 | 174 | 0 | 109 | I45 W47 Y92 G93 T95 | I45-K108 HydrophobicContact CG2-CB 3.92Å; W47-K108 HydrophobicContact CD2-CG 4.41Å; W47-K108 HydrophobicContact CG-CG 4.24Å; W47-K108 HydrophobicContact CZ2-CD 4.33Å; Y92-K108 PolarHBondContact N-O 3.41Å; Y92-K108 WeakPolarHBondContact O-CE 3.45Å; Y92-K108 PolarHBondContact O-NZ 2.83Å; G93-K108 PolarHBondContact O-N 3.16Å; T95-K108 HydrophobicContact CG2-CD 3.92Å; T95-K108 HydrophobicContact CG2-CG 3.89Å |
| 109 | L | 98.6 | Very high | 92.6 | Very high | 14 Ų | 14 | 56.4 Ų | 56.4 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 158 | -175.4 | -61.5 | 176.8 | 0 | 0 | 0 | 111 | I45 V46 K48 Y63 P89 R90 Y91 I107 N111 | I45-L109 CarbonylContact C-O 3.58Å; I45-L109 WeakPolarHBondContact CA-O 3.49Å; V46-L109 PolarHBondContact N-O 2.9Å; V46-L109 PolarHBondContact O-N 2.93Å; K48-L109 HydrophobicContact CD-CD1 4.43Å; Y63-L109 HydrophobicContact CD1-CD2 4.16Å; Y63-L109 HydrophobicContact CD2-CD2 4.13Å; Y63-L109 HydrophobicContact CE1-CD2 3.71Å; Y63-L109 HydrophobicContact CE2-CD1 4.11Å; Y63-L109 HydrophobicContact CE2-CD2 3.66Å; Y63-L109 HydrophobicContact CG-CD2 4.34Å; Y63-L109 VanDerWaalsContact CZ-CD2 3.42Å; Y63-L109 WeakPolarHBondContact OH-CD1 3.34Å; P89-L109 HydrophobicContact CB-CB 4.16Å; P89-L109 HydrophobicContact CB-CD2 4.49Å; R90-L109 CarbonylContact O-C 3.57Å; R90-L109 VanDerWaalsContact O-CA 3.3Å; R90-L109 WeakPolarHBondContact O-CA 3.25Å; Y91-L109 HydrophobicContact CD2-CD2 4.1Å; I107-L109 HydrophobicContact CD1-CD2 3.89Å; I107-L109 HydrophobicContact CD1-CG 4.43Å; I107-L109 HydrophobicContact CG1-CD2 3.78Å; I107-L109 HydrophobicContact CG1-CG 4Å; I107-L109 HydrophobicContact CG2-CD1 4.19Å; I107-L109 HydrophobicContact CG2-CG 4.31Å; L109-N111 PolarHBondContact O-N 3.02Å |
| 110 | E | 98.4 | Very high | 93.3 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 131.1 | 168 | -176.3 | -176.5 | -177.9 | 0 | 0 | 111 | P89 R90 Y92 I112 | P89-E110 HydrophobicContact CB-CB 4.12Å; R90-E110 HydrophobicContact CB-CB 3.92Å; R90-E110 PolarHBondContact N-OE2 3.33Å; R90-E110 PolarHBondContact O-N 3.07Å; Y92-E110 HydrophobicContact CE2-CB 4.23Å; E110-I112 PolarHBondContact O-N 3.08Å; E110-I112 VanDerWaalsContact O-N 3.12Å |
| 111 | N | 98 | Very high | 94.3 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | trans | -73.9 | 98.1 | 163.8 | -175.4 | 7 | 0 | 0 | 0 | 109.3 | Y14 M39 G43 E44 V46 L109 L113 H114 | Y14-N111 PolarHBondContact OH-OD1 2.87Å; M39-N111 PolarHBondContact SD-ND2 3.28Å; M39-N111 VanDerWaalsContact SD-ND2 3.4Å; G43-N111 VanDerWaalsContact O-CB 3.31Å; G43-N111 WeakPolarHBondContact O-CB 3.35Å; G43-N111 PolarHBondContact O-ND2 3.36Å; E44-N111 WeakPolarHBondContact O-CB 3.5Å; E44-N111 PolarHBondContact O-N 2.79Å; V46-N111 HydrophobicContact CG2-CB 3.83Å; L109-N111 PolarHBondContact O-N 3.02Å; N111-L113 PolarHBondContact O-N 3.48Å; N111-L113 WeakPolarHBondContact OD1-CB 3.46Å; N111-L113 PolarHBondContact OD1-N 2.99Å; N111-H114 HydrophobicContact CB-CB 4.27Å; N111-H114 VanDerWaalsContact O-CB 3.25Å; N111-H114 WeakPolarHBondContact O-CB 3.47Å; N111-H114 PolarHBondContact O-N 3.49Å | ||
| 112 | I | 97.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -29.5 | 175.3 | -60.3 | 164.6 | 0 | 0 | 0 | 111.5 | P89 E110 H114 Y116 L233 V235 D248 K250 I252 | P89-I112 HydrophobicContact CG-CD1 4.06Å; P89-I112 HydrophobicContact CG-CG1 4.39Å; E110-I112 PolarHBondContact O-N 3.08Å; E110-I112 VanDerWaalsContact O-N 3.12Å; I112-H114 VanDerWaalsContact C-N 3.31Å; I112-H114 PolarHBondContact O-N 2.96Å; I112-Y116 WeakPolarHBondContact O-CE2 3.35Å; I112-L233 HydrophobicContact CD1-CD2 3.64Å; I112-V235 HydrophobicContact CG2-CG2 3.96Å; I112-D248 HydrophobicContact CG2-CB 4.49Å; I112-K250 HydrophobicContact CD1-CB 3.69Å; I112-K250 HydrophobicContact CD1-CG 3.86Å; I112-K250 HydrophobicContact CG1-CB 4.44Å; I112-K250 HydrophobicContact CG1-CG 4.07Å; I112-K250 HydrophobicContact CG2-CG 4.1Å; I112-I252 HydrophobicContact CD1-CG2 4.1Å |
| 113 | L | 97.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 7 | -179.2 | -55.1 | -173.4 | 0 | 0 | 0 | 113.9 | Y14 Y16 N111 G115 Y116 P119 I121 V235 | Y14-L113 WeakPolarHBondContact OH-CD1 3.36Å; Y14-L113 VanDerWaalsContact OH-CG 3.27Å; Y14-L113 WeakPolarHBondContact OH-CG 3.43Å; Y16-L113 HydrophobicContact CD1-CD1 4.47Å; Y16-L113 HydrophobicContact CD2-CD1 3.64Å; Y16-L113 HydrophobicContact CG-CD1 3.62Å; N111-L113 PolarHBondContact O-N 3.48Å; N111-L113 WeakPolarHBondContact OD1-CB 3.46Å; N111-L113 PolarHBondContact OD1-N 2.99Å; L113-G115 PolarHBondContact O-N 2.91Å; L113-Y116 VanDerWaalsContact C-CD2 3.48Å; L113-Y116 VanDerWaalsContact CA-CD2 3.49Å; L113-Y116 HydrophobicContact CB-CD2 4.43Å; L113-Y116 HydrophobicContact CD2-CD2 4.49Å; L113-Y116 HydrophobicContact CD2-CG 4.5Å; L113-Y116 WeakPolarHBondContact O-CB 3.44Å; L113-Y116 WeakPolarHBondContact O-CD2 3.49Å; L113-Y116 PolarHBondContact O-N 3.26Å; L113-P119 HydrophobicContact CD1-CB 4.1Å; L113-P119 HydrophobicContact CD1-CG 4.19Å; L113-P119 HydrophobicContact CD2-CB 3.99Å; L113-I121 HydrophobicContact CD1-CD1 3.37Å; L113-I121 HydrophobicContact CD1-CG1 3.96Å; L113-I121 HydrophobicContact CD2-CD1 4.38Å; L113-I121 HydrophobicContact CD2-CG1 4.04Å; L113-V235 HydrophobicContact CD2-CB 4.05Å; L113-V235 HydrophobicContact CD2-CG1 3.73Å; L113-V235 HydrophobicContact CD2-CG2 4.4Å |
| 114 | H | 97.2 | Very high | 96.7 | Very high | 89 Ų | 89 | 26.1 Ų | 26.1 | 41% | 0.412 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 128.7 | 177.4 | -174.5 | -124.7 | 0 | 0 | 0 | 111.4 | G43 E44 N111 I112 Y116 K246 | G43-H114 PolarHBondContact O-CD2 3.38Å; E44-H114 IonicContact OE1-CE1 3.25Å; N111-H114 HydrophobicContact CB-CB 4.27Å; N111-H114 VanDerWaalsContact O-CB 3.25Å; N111-H114 WeakPolarHBondContact O-CB 3.47Å; N111-H114 PolarHBondContact O-N 3.49Å; I112-H114 VanDerWaalsContact C-N 3.31Å; I112-H114 PolarHBondContact O-N 2.96Å; H114-Y116 PolarHBondContact O-N 3.41Å; H114-K246 PolarHBondContact O-NZ 2.7Å |
| 115 | G | 95.5 | Very high | 97 | Very high | 40 Ų | 40 | 26.4 Ų | 26.4 | 41% | 0.412 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 13.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L113 K246 | L113-G115 PolarHBondContact O-N 2.91Å; G115-K246 PolarHBondContact O-NZ 3.04Å |
| 116 | Y | 97 | Very high | 97.3 | Very high | 27 Ų | 27 | 24.5 Ų | 24.5 | 11% | 0.106 | 12% | 0.124 | C | C | . | . | trans | -81.8 | 134.7 | 165 | -74.7 | -109.7 | 0 | 0 | 0 | 109 | I112 L113 H114 P119 V235 D237 K246 D248 | I112-Y116 WeakPolarHBondContact O-CE2 3.35Å; L113-Y116 VanDerWaalsContact C-CD2 3.48Å; L113-Y116 VanDerWaalsContact CA-CD2 3.49Å; L113-Y116 HydrophobicContact CB-CD2 4.43Å; L113-Y116 HydrophobicContact CD2-CD2 4.49Å; L113-Y116 HydrophobicContact CD2-CG 4.5Å; L113-Y116 WeakPolarHBondContact O-CB 3.44Å; L113-Y116 WeakPolarHBondContact O-CD2 3.49Å; L113-Y116 PolarHBondContact O-N 3.26Å; H114-Y116 PolarHBondContact O-N 3.41Å; Y116-P119 HydrophobicContact CD1-CB 4.26Å; Y116-P119 HydrophobicContact CG-CB 4.37Å; Y116-V235 HydrophobicContact CE1-CB 4.37Å; Y116-V235 HydrophobicContact CE1-CG2 4.08Å; Y116-V235 WeakPolarHBondContact OH-CG2 3.39Å; Y116-D237 HydrophobicContact CD1-CB 3.72Å; Y116-D237 HydrophobicContact CE1-CB 4.28Å; Y116-K246 HydrophobicContact CD1-CD 4.41Å; Y116-K246 HydrophobicContact CD1-CG 4.4Å; Y116-K246 HydrophobicContact CD2-CD 4.31Å; Y116-K246 VanDerWaalsContact CD2-CE 3.44Å; Y116-K246 HydrophobicContact CE1-CD 4.31Å; Y116-K246 HydrophobicContact CE1-CG 3.87Å; Y116-K246 HydrophobicContact CE2-CD 4.26Å; Y116-K246 HydrophobicContact CE2-CG 4.33Å; Y116-K246 HydrophobicContact CG-CD 4.4Å; Y116-D248 WeakPolarHBondContact OH-CB 3.28Å; Y116-D248 PolarHBondContact OH-N 3.1Å | ||
| 117 | H | 95.3 | Very high | 97.4 | Very high | 107 Ų | 107 | 24.5 Ų | 24.5 | 50% | 0.495 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -94.6 | -40.5 | -178.1 | -59.7 | 81 | 0 | 0 | 0 | 112.4 | D237 K239 | H117-D237 IonicContact CG-OD2 3.84Å; H117-D237 PolarHBondContact N-OD2 3.1Å; H117-D237 IonicContact ND1-OD2 2.85Å; H117-D237 PolarHBondContact ND1-OD2 3.07Å; H117-K239 HydrophobicContact CB-CB 4.46Å; H117-K239 HydrophobicContact CB-CD 3.81Å |
| 118 | Q | 95.5 | Very high | 97.4 | Very high | 37 Ų | 37 | 29.9 Ų | 29.9 | 17% | 0.173 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -134.4 | 75.8 | 172.9 | -68.8 | -65.6 | 12.1 | 0 | 0 | 109.5 | C120 Y163 D237 A238 K239 | Q118-C120 PolarHBondContact O-N 3.45Å; Q118-Y163 HydrophobicContact CB-CD1 3.65Å; Q118-Y163 HydrophobicContact CB-CE1 4.19Å; Q118-Y163 HydrophobicContact CB-CG 3.88Å; Q118-Y163 HydrophobicContact CG-CD1 3.71Å; Q118-Y163 HydrophobicContact CG-CD2 4.42Å; Q118-Y163 HydrophobicContact CG-CE1 3.73Å; Q118-Y163 HydrophobicContact CG-CE2 4.47Å; Q118-Y163 HydrophobicContact CG-CG 4.05Å; Q118-D237 PolarHBondContact N-OD1 2.87Å; Q118-A238 HydrophobicContact CB-CB 4.09Å; Q118-A238 PolarHBondContact O-N 2.83Å; Q118-K239 HydrophobicContact CB-CG 4.12Å; Q118-K239 HydrophobicContact CG-CD 3.87Å; Q118-K239 HydrophobicContact CG-CG 3.77Å |
| 119 | P | 96.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 130 | -176.6 | 27.6 | -34.4 | 0 | 0 | 0 | 110.9 | Y16 L113 Y116 I121 R170 Y236 | Y16-P119 HydrophobicContact CD1-CG 3.96Å; Y16-P119 HydrophobicContact CD2-CG 4.35Å; Y16-P119 HydrophobicContact CE1-CG 3.6Å; Y16-P119 HydrophobicContact CE2-CG 4.01Å; Y16-P119 HydrophobicContact CG-CG 4.35Å; L113-P119 HydrophobicContact CD1-CB 4.1Å; L113-P119 HydrophobicContact CD1-CG 4.19Å; L113-P119 HydrophobicContact CD2-CB 3.99Å; Y116-P119 HydrophobicContact CD1-CB 4.26Å; Y116-P119 HydrophobicContact CG-CB 4.37Å; P119-I121 HydrophobicContact CB-CD1 4.11Å; P119-I121 HydrophobicContact CB-CG1 3.97Å; P119-I121 HydrophobicContact CG-CD1 4.4Å; P119-R170 PolarHBondContact O-NH1 3.16Å; P119-R170 PolarHBondContact O-NH2 3.29Å; P119-Y236 WeakPolarHBondContact CA-O 3.2Å |
| 120 | C | 97 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124 | 162 | -69.2 | 0 | 0 | 0 | 0 | 107.8 | Q118 S161 Y163 F193 V235 Y236 | Q118-C120 PolarHBondContact O-N 3.45Å; C120-S161 CarbonylContact C-O 3.51Å; C120-S161 VanDerWaalsContact CA-O 3.27Å; C120-S161 WeakPolarHBondContact CA-O 3.24Å; C120-Y163 PolarHBondContact SG-N 3.13Å; C120-F193 HydrophobicContact CB-CE2 4.23Å; C120-V235 CarbonylContact O-C 3.5Å; C120-V235 VanDerWaalsContact O-CA 3.26Å; C120-V235 WeakPolarHBondContact O-CA 3.26Å; C120-Y236 HydrophobicContact CB-CD1 3.64Å; C120-Y236 HydrophobicContact CB-CD2 4.2Å; C120-Y236 HydrophobicContact CB-CE1 3.22Å; C120-Y236 HydrophobicContact CB-CE2 3.83Å; C120-Y236 HydrophobicContact CB-CG 4.11Å; C120-Y236 PolarHBondContact N-O 3.37Å; C120-Y236 PolarHBondContact O-N 3.14Å; C120-Y236 PolarHBondContact SG-OH 2.96Å; C120-Y236 VanDerWaalsContact SG-OH 3.39Å |
| 121 | I | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 134.4 | -166.1 | -48.9 | 150.7 | 0 | 0 | 0 | 108.7 | Y16 I18 L113 P119 M160 S161 F193 L233 I234 V235 | Y16-I121 HydrophobicContact CD1-CD1 3.91Å; Y16-I121 HydrophobicContact CG-CD1 3.97Å; I18-I121 HydrophobicContact CD1-CB 3.48Å; I18-I121 VanDerWaalsContact CD1-CB 3.48Å; I18-I121 HydrophobicContact CD1-CD1 4.31Å; I18-I121 HydrophobicContact CD1-CG2 3.35Å; I18-I121 WeakPolarHBondContact CD1-O 3.12Å; L113-I121 HydrophobicContact CD1-CD1 3.37Å; L113-I121 HydrophobicContact CD1-CG1 3.96Å; L113-I121 HydrophobicContact CD2-CD1 4.38Å; L113-I121 HydrophobicContact CD2-CG1 4.04Å; P119-I121 HydrophobicContact CB-CD1 4.11Å; P119-I121 HydrophobicContact CB-CG1 3.97Å; P119-I121 HydrophobicContact CG-CD1 4.4Å; I121-M160 CarbonylContact O-C 3.57Å; I121-M160 WeakPolarHBondContact O-CA 3.43Å; I121-M160 VanDerWaalsContact O-CB 3.25Å; I121-M160 WeakPolarHBondContact O-CB 3.17Å; I121-S161 PolarHBondContact N-O 3.27Å; I121-S161 PolarHBondContact O-N 3.05Å; I121-F193 VanDerWaalsContact C-CE2 3.44Å; I121-L233 HydrophobicContact CG2-CD1 3.57Å; I121-L233 HydrophobicContact CG2-CD2 4.41Å; I121-L233 HydrophobicContact CG2-CG 4.06Å; I121-I234 CarbonylContact C-O 3.53Å; I121-I234 WeakPolarHBondContact CA-O 3.41Å; I121-V235 HydrophobicContact CB-CG1 4.23Å; I121-V235 HydrophobicContact CG1-CG1 4.14Å; I121-V235 HydrophobicContact CG2-CG1 3.87Å |
| 122 | M | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130 | 173.5 | -179.4 | 171.5 | 59.8 | 0 | 0 | 109.5 | V124 V157 M160 V189 F190 F193 L233 I234 | M122-V124 HydrophobicContact CE-CG2 3.93Å; M122-V124 HydrophobicContact CG-CG2 3.76Å; M122-V124 HydrophobicContact SD-CG2 4.11Å; M122-V157 HydrophobicContact CG-CG1 4.02Å; M122-V157 HydrophobicContact SD-CG1 4.23Å; M122-V157 HydrophobicContact SD-CG2 4.3Å; M122-M160 HydrophobicContact CB-CB 4.21Å; M122-M160 HydrophobicContact CG-CB 4.37Å; M122-M160 HydrophobicContact CG-CE 4.45Å; M122-M160 HydrophobicContact SD-CE 3.97Å; M122-V189 HydrophobicContact SD-CG1 3.94Å; M122-F190 HydrophobicContact CE-CE1 4.41Å; M122-F193 HydrophobicContact CB-CD2 3.67Å; M122-F193 HydrophobicContact CB-CE1 4.34Å; M122-F193 HydrophobicContact CB-CE2 3.48Å; M122-F193 VanDerWaalsContact CB-CE2 3.48Å; M122-F193 HydrophobicContact CB-CG 4.21Å; M122-F193 HydrophobicContact CB-CZ 3.83Å; M122-F193 HydrophobicContact CE-CD1 3.87Å; M122-F193 HydrophobicContact CE-CE1 4.1Å; M122-F193 HydrophobicContact CE-CG 4.2Å; M122-F193 HydrophobicContact SD-CB 4.41Å; M122-F193 HydrophobicContact SD-CD1 4.45Å; M122-F193 HydrophobicContact SD-CD2 4.49Å; M122-F193 HydrophobicContact SD-CG 4.19Å; M122-L233 WeakPolarHBondContact O-CA 3.03Å; M122-I234 HydrophobicContact CE-CD1 3.75Å; M122-I234 PolarHBondContact N-O 2.87Å; M122-I234 PolarHBondContact O-N 2.9Å |
| 123 | D | 98 | Very high | 96.5 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 117.4 | 176.1 | -175.8 | -39.7 | 0 | 0 | 0 | 108.7 | A19 V157 L158 G159 S231 L233 | A19-D123 HydrophobicContact CB-CB 4.21Å; A19-D123 WeakPolarHBondContact CB-OD2 3.16Å; D123-V157 CarbonylContact O-C 3.5Å; D123-L158 HydrophobicContact CB-CB 4.25Å; D123-L158 PolarHBondContact O-N 3.29Å; D123-L158 WeakPolarHBondContact OD1-CD1 3.28Å; D123-G159 PolarHBondContact N-O 2.92Å; D123-G159 VanDerWaalsContact N-O 3.07Å; D123-S231 WeakPolarHBondContact OD1-CB 3.47Å; D123-S231 PolarHBondContact OD1-OG 2.83Å; D123-L233 HydrophobicContact CB-CD1 4.2Å |
| 124 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 109.1 | -177.8 | -168.2 | 0 | 0 | 0 | 0 | 109.5 | M122 I126 F155 R156 S231 I232 I234 L274 | M122-V124 HydrophobicContact CE-CG2 3.93Å; M122-V124 HydrophobicContact CG-CG2 3.76Å; M122-V124 HydrophobicContact SD-CG2 4.11Å; V124-I126 HydrophobicContact CB-CD1 4.35Å; V124-I126 HydrophobicContact CG1-CD1 3.85Å; V124-F155 HydrophobicContact CG1-CB 3.96Å; V124-F155 HydrophobicContact CG1-CD2 3.67Å; V124-F155 HydrophobicContact CG1-CG 4.13Å; V124-R156 CarbonylContact C-O 3.19Å; V124-R156 WeakPolarHBondContact CA-O 3.25Å; V124-S231 CarbonylContact O-C 3.32Å; V124-S231 WeakPolarHBondContact O-CA 3.37Å; V124-S231 WeakPolarHBondContact O-CB 3.42Å; V124-I232 PolarHBondContact N-O 2.85Å; V124-I232 PolarHBondContact O-N 3.25Å; V124-I234 HydrophobicContact CG2-CD1 4.31Å; V124-L274 HydrophobicContact CG1-CD2 4.2Å |
| 125 | K | 97.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 32.3 Ų | 32.3 | 14% | 0.135 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 132.4 | 170.2 | -177.7 | -177.5 | -72.2 | -76.3 | 0 | 109.5 | T130 F155 R156 L158 S229 S230 S231 | K125-T130 HydrophobicContact CD-CG2 3.74Å; K125-F155 CarbonylContact O-C 3.6Å; K125-F155 VanDerWaalsContact O-CA 3.26Å; K125-F155 WeakPolarHBondContact O-CA 3.19Å; K125-F155 WeakPolarHBondContact O-CB 3.33Å; K125-R156 HydrophobicContact CB-CB 4.49Å; K125-R156 PolarHBondContact N-O 2.84Å; K125-R156 PolarHBondContact O-N 2.88Å; K125-L158 HydrophobicContact CB-CD1 4.16Å; K125-L158 HydrophobicContact CB-CD2 4.1Å; K125-L158 HydrophobicContact CB-CG 3.99Å; K125-S229 PolarHBondContact NZ-O 3.32Å; K125-S229 PolarHBondContact NZ-OG 3.07Å; K125-S230 WeakPolarHBondContact CA-O 3.05Å; K125-S231 WeakPolarHBondContact CA-OG 3.45Å; K125-S231 PolarHBondContact N-OG 2.83Å |
| 126 | I | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 144.7 | -176.6 | -52.7 | -59.4 | 0 | 0 | 0 | 110.8 | V124 F155 S230 I232 Y267 L271 L274 | V124-I126 HydrophobicContact CB-CD1 4.35Å; V124-I126 HydrophobicContact CG1-CD1 3.85Å; I126-F155 HydrophobicContact CD1-CB 4.03Å; I126-S230 PolarHBondContact N-O 3.01Å; I126-I232 HydrophobicContact CD1-CD1 3.97Å; I126-I232 HydrophobicContact CD1-CG1 4.29Å; I126-I232 HydrophobicContact CG1-CB 4.44Å; I126-I232 HydrophobicContact CG1-CD1 3.75Å; I126-I232 HydrophobicContact CG1-CG1 3.77Å; I126-Y267 HydrophobicContact CB-CD1 4.45Å; I126-Y267 HydrophobicContact CB-CD2 4.12Å; I126-Y267 HydrophobicContact CB-CE1 4.17Å; I126-Y267 HydrophobicContact CB-CE2 3.87Å; I126-Y267 HydrophobicContact CB-CG 4.44Å; I126-Y267 HydrophobicContact CG1-CE1 4.3Å; I126-Y267 HydrophobicContact CG1-CE2 4.37Å; I126-Y267 HydrophobicContact CG2-CD1 3.67Å; I126-Y267 HydrophobicContact CG2-CD2 4.02Å; I126-Y267 HydrophobicContact CG2-CE1 3.73Å; I126-Y267 HydrophobicContact CG2-CE2 4.12Å; I126-Y267 HydrophobicContact CG2-CG 3.83Å; I126-Y267 WeakPolarHBondContact CG2-O 3.33Å; I126-L271 HydrophobicContact CG2-CB 4.39Å; I126-L274 HydrophobicContact CD1-CD2 3.97Å |
| 127 | G | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | 101.4 | 140.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | Q129 I150 G154 N266 | G127-Q129 VanDerWaalsContact C-N 3.34Å; G127-I150 WeakPolarHBondContact O-CD1 3.37Å; G127-G154 CarbonylContact C-O 3.59Å; G127-G154 VanDerWaalsContact CA-O 3.26Å; G127-G154 WeakPolarHBondContact CA-O 3.19Å; G127-G154 PolarHBondContact N-O 3.06Å; G127-N266 WeakPolarHBondContact CA-O 3.4Å | ||
| 128 | R | 96.5 | Very high | 96.3 | Very high | 114 Ų | 114 | 41.1 Ų | 41.1 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -70.9 | -32.3 | 174.4 | 59.9 | -176.5 | -179.7 | -170.5 | 0.6 | 112.4 | N266 F269 | R128-N266 WeakPolarHBondContact CG-OD1 3.43Å; R128-N266 PolarHBondContact N-OD1 3.25Å; R128-F269 HydrophobicContact CB-CD1 4.42Å; R128-F269 HydrophobicContact CG-CD1 4.36Å |
| 129 | Q | 96.6 | Very high | 96.3 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | trans | -92.5 | 113 | 173.3 | 174.8 | 172 | -15.8 | 0 | 0 | 109.7 | G127 W131 Y228 N266 | G127-Q129 VanDerWaalsContact C-N 3.34Å; Q129-W131 HydrophobicContact CB-CZ2 4.21Å; Q129-W131 HydrophobicContact CG-CD2 3.86Å; Q129-W131 HydrophobicContact CG-CE3 4.5Å; Q129-W131 HydrophobicContact CG-CG 4.06Å; Q129-W131 HydrophobicContact CG-CZ2 3.97Å; Q129-W131 WeakPolarHBondContact CG-O 3.22Å; Q129-W131 PolarHBondContact NE2-O 3.02Å; Q129-Y228 HydrophobicContact CB-CD1 4.29Å; Q129-Y228 HydrophobicContact CB-CE1 4.06Å; Q129-Y228 HydrophobicContact CG-CD1 3.73Å; Q129-Y228 HydrophobicContact CG-CE1 3.57Å; Q129-Y228 VanDerWaalsContact NE2-CE1 3.29Å; Q129-N266 WeakPolarHBondContact CB-OD1 3.41Å; Q129-N266 PolarHBondContact N-OD1 3.3Å; Q129-N266 PolarHBondContact O-ND2 2.92Å | ||
| 130 | T | 94.8 | Very high | 96.2 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | trans | -108 | 9 | -179.9 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | K125 E143 I150 S229 | K125-T130 HydrophobicContact CD-CG2 3.74Å; T130-E143 PolarHBondContact OG1-OE2 2.82Å; T130-I150 HydrophobicContact CG2-CG1 4.27Å; T130-S229 PolarHBondContact O-OG 2.91Å | ||
| 131 | W | 94.8 | Very high | 96.2 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -112.6 | 157.7 | 176.2 | 52.4 | 89.6 | 0 | 0 | 0 | 111 | Q129 A135 V140 E143 K144 Y228 | Q129-W131 HydrophobicContact CB-CZ2 4.21Å; Q129-W131 HydrophobicContact CG-CD2 3.86Å; Q129-W131 HydrophobicContact CG-CE3 4.5Å; Q129-W131 HydrophobicContact CG-CG 4.06Å; Q129-W131 HydrophobicContact CG-CZ2 3.97Å; Q129-W131 WeakPolarHBondContact CG-O 3.22Å; Q129-W131 PolarHBondContact NE2-O 3.02Å; W131-A135 HydrophobicContact CB-CB 3.85Å; W131-A135 HydrophobicContact CG-CB 4.17Å; W131-V140 HydrophobicContact CD2-CB 4.43Å; W131-V140 HydrophobicContact CD2-CG1 4.25Å; W131-V140 HydrophobicContact CD2-CG2 4.1Å; W131-V140 HydrophobicContact CG-CG2 3.95Å; W131-V140 HydrophobicContact CH2-CG1 4.21Å; W131-V140 HydrophobicContact CZ2-CG1 3.76Å; W131-E143 HydrophobicContact CB-CG 4.17Å; W131-E143 HydrophobicContact CE3-CB 3.56Å; W131-E143 HydrophobicContact CE3-CG 4.3Å; W131-E143 HydrophobicContact CZ3-CB 4.18Å; W131-K144 HydrophobicContact CH2-CD 4.24Å; W131-K144 VanDerWaalsContact CH2-CE 3.44Å; W131-K144 HydrophobicContact CH2-CG 3.76Å; W131-K144 HydrophobicContact CZ3-CG 3.74Å; W131-Y228 WeakPolarHBondContact O-CD1 3.14Å |
| 132 | A | 93.1 | Very high | 96 | Very high | 17 Ų | 17 | 53.8 Ų | 53.8 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | trans | -58.6 | 147.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | S134 A135 Y258 | A132-S134 PolarHBondContact O-N 3.28Å; A132-S134 VanDerWaalsContact O-N 3.11Å; A132-A135 WeakPolarHBondContact O-CB 3.32Å; A132-A135 PolarHBondContact O-N 2.95Å; A132-Y258 WeakPolarHBondContact CB-OH 3.45Å | ||
| 133 | P | 92.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 54.3 Ų | 54.3 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -32.2 | 175 | -28.3 | 35.6 | 0 | 0 | 0 | 114 | Y228 | P133-Y228 HydrophobicContact CG-CD2 4.21Å; P133-Y228 HydrophobicContact CG-CE2 3.53Å |
| 134 | S | 93.3 | Very high | 95.6 | Very high | 110 Ų | 110 | 57.9 Ų | 57.9 | 77% | 0.769 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 12.3 | -180 | 67.8 | 0 | 0 | 0 | 0 | 114.5 | A132 | A132-S134 PolarHBondContact O-N 3.28Å; A132-S134 VanDerWaalsContact O-N 3.11Å |
| 135 | A | 94.4 | Very high | 95.4 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 24% | 0.24 | 34% | 0.341 | C | S | . | . | trans | -69.3 | 140.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | W131 A132 R139 V140 | W131-A135 HydrophobicContact CB-CB 3.85Å; W131-A135 HydrophobicContact CG-CB 4.17Å; A132-A135 WeakPolarHBondContact O-CB 3.32Å; A132-A135 PolarHBondContact O-N 2.95Å; A135-R139 HydrophobicContact CB-CB 4.14Å; A135-R139 HydrophobicContact CB-CG 3.85Å; A135-V140 HydrophobicContact CB-CG2 4.2Å | ||
| 136 | D | 96.9 | Very high | 95.2 | Very high | 99 Ų | 99 | 65.9 Ų | 65.9 | 53% | 0.529 | 35% | 0.347 | S | S | . | . | trans | -70 | 166.5 | 172.6 | 60 | 42.7 | 0 | 0 | 0 | 112.7 | E138 R139 V140 | D136-E138 VanDerWaalsContact C-N 3.27Å; D136-E138 PolarHBondContact O-N 2.85Å; D136-E138 PolarHBondContact OD1-N 2.91Å; D136-R139 PolarHBondContact O-N 3.28Å; D136-R139 WeakPolarHBondContact OD1-CB 3.38Å; D136-R139 PolarHBondContact OD1-N 3.42Å; D136-V140 VanDerWaalsContact O-CG2 3.26Å; D136-V140 WeakPolarHBondContact O-CG2 3.47Å; D136-V140 PolarHBondContact O-N 3.07Å | ||
| 137 | S | 96.6 | Very high | 95 | Very high | 104 Ų | 104 | 66.1 Ų | 66.1 | 73% | 0.727 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.6 | -32.9 | -176.7 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | V140 A141 | S137-V140 PolarHBondContact O-N 3.3Å; S137-A141 WeakPolarHBondContact O-CB 3.38Å; S137-A141 PolarHBondContact O-N 2.83Å |
| 138 | E | 97.3 | Very high | 94.8 | Very high | 156 Ų | 156 | 70.6 Ų | 70.6 | 73% | 0.729 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.2 | -46.7 | 176.9 | -173.9 | -176.9 | 171.3 | 0 | 0 | 110.8 | D136 V140 A141 Y142 | D136-E138 VanDerWaalsContact C-N 3.27Å; D136-E138 PolarHBondContact O-N 2.85Å; D136-E138 PolarHBondContact OD1-N 2.91Å; E138-V140 VanDerWaalsContact C-N 3.33Å; E138-V140 PolarHBondContact O-N 3.39Å; E138-A141 PolarHBondContact O-N 3.05Å; E138-Y142 WeakPolarHBondContact O-CB 3.49Å; E138-Y142 PolarHBondContact O-N 3.32Å |
| 139 | R | 94.5 | Very high | 94.8 | Very high | 91 Ų | 91 | 68.7 Ų | 68.7 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 177 | 179.8 | 59.8 | 177.5 | 166.5 | 7.4 | 111.6 | A135 D136 Y142 E143 | A135-R139 HydrophobicContact CB-CB 4.14Å; A135-R139 HydrophobicContact CB-CG 3.85Å; D136-R139 PolarHBondContact O-N 3.28Å; D136-R139 WeakPolarHBondContact OD1-CB 3.38Å; D136-R139 PolarHBondContact OD1-N 3.42Å; R139-Y142 PolarHBondContact O-N 2.95Å; R139-E143 IonicContact CZ-OE1 2.93Å; R139-E143 IonicContact NE-OE1 3.69Å; R139-E143 IonicContact NH1-OE1 3.16Å; R139-E143 PolarHBondContact NH1-OE1 3.26Å; R139-E143 VanDerWaalsContact NH1-OE1 3.16Å; R139-E143 IonicContact NH2-OE1 2.64Å; R139-E143 PolarHBondContact NH2-OE1 3.33Å; R139-E143 WeakPolarHBondContact O-CG 3.36Å; R139-E143 PolarHBondContact O-N 3.17Å |
| 140 | V | 95.8 | Very high | 94.7 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.7 | -50.9 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | W131 A135 D136 S137 E138 Y142 E143 K144 | W131-V140 HydrophobicContact CD2-CB 4.43Å; W131-V140 HydrophobicContact CD2-CG1 4.25Å; W131-V140 HydrophobicContact CD2-CG2 4.1Å; W131-V140 HydrophobicContact CG-CG2 3.95Å; W131-V140 HydrophobicContact CH2-CG1 4.21Å; W131-V140 HydrophobicContact CZ2-CG1 3.76Å; A135-V140 HydrophobicContact CB-CG2 4.2Å; D136-V140 VanDerWaalsContact O-CG2 3.26Å; D136-V140 WeakPolarHBondContact O-CG2 3.47Å; D136-V140 PolarHBondContact O-N 3.07Å; S137-V140 PolarHBondContact O-N 3.3Å; E138-V140 VanDerWaalsContact C-N 3.33Å; E138-V140 PolarHBondContact O-N 3.39Å; V140-Y142 VanDerWaalsContact C-N 3.32Å; V140-Y142 PolarHBondContact O-N 3.49Å; V140-E143 PolarHBondContact O-N 2.99Å; V140-K144 HydrophobicContact CG1-CD 4.4Å; V140-K144 WeakPolarHBondContact O-CG 3.48Å; V140-K144 PolarHBondContact O-N 2.78Å |
| 141 | A | 96 | Very high | 94.7 | Very high | 51 Ų | 51 | 70 Ų | 70 | 42% | 0.421 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59 | -44.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S137 E138 E143 K144 L145 | S137-A141 WeakPolarHBondContact O-CB 3.38Å; S137-A141 PolarHBondContact O-N 2.83Å; E138-A141 PolarHBondContact O-N 3.05Å; A141-E143 PolarHBondContact O-N 3.2Å; A141-K144 PolarHBondContact O-N 3.49Å; A141-L145 VanDerWaalsContact O-CG 3.3Å; A141-L145 WeakPolarHBondContact O-CG 3.38Å; A141-L145 PolarHBondContact O-N 3.35Å |
| 142 | Y | 95 | Very high | 94.6 | Very high | 131 Ų | 131 | 74.4 Ų | 74.4 | 51% | 0.514 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 176.8 | 175.6 | -102 | 0 | 0 | 0 | 112.9 | E138 R139 V140 L145 K146 | E138-Y142 WeakPolarHBondContact O-CB 3.49Å; E138-Y142 PolarHBondContact O-N 3.32Å; R139-Y142 PolarHBondContact O-N 2.95Å; V140-Y142 VanDerWaalsContact C-N 3.32Å; V140-Y142 PolarHBondContact O-N 3.49Å; Y142-L145 PolarHBondContact O-N 2.85Å; Y142-K146 HydrophobicContact CE1-CD 4.46Å; Y142-K146 PolarHBondContact O-N 3.39Å |
| 143 | E | 94.1 | Very high | 94.8 | Very high | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.056 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 178.1 | -73.5 | -59.5 | 150.6 | 0 | 0 | 112.2 | T130 W131 R139 V140 A141 L145 K146 | T130-E143 PolarHBondContact OG1-OE2 2.82Å; W131-E143 HydrophobicContact CB-CG 4.17Å; W131-E143 HydrophobicContact CE3-CB 3.56Å; W131-E143 HydrophobicContact CE3-CG 4.3Å; W131-E143 HydrophobicContact CZ3-CB 4.18Å; R139-E143 IonicContact CZ-OE1 2.93Å; R139-E143 IonicContact NE-OE1 3.69Å; R139-E143 IonicContact NH1-OE1 3.16Å; R139-E143 PolarHBondContact NH1-OE1 3.26Å; R139-E143 VanDerWaalsContact NH1-OE1 3.16Å; R139-E143 IonicContact NH2-OE1 2.64Å; R139-E143 PolarHBondContact NH2-OE1 3.33Å; R139-E143 WeakPolarHBondContact O-CG 3.36Å; R139-E143 PolarHBondContact O-N 3.17Å; V140-E143 PolarHBondContact O-N 2.99Å; A141-E143 PolarHBondContact O-N 3.2Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-L145 PolarHBondContact O-N 3.31Å; E143-K146 WeakPolarHBondContact O-CB 3.41Å; E143-K146 PolarHBondContact O-N 2.71Å; E143-K146 VanDerWaalsContact O-N 3.11Å; E143-K146 IonicContact OE1-NZ 2.61Å; E143-K146 PolarHBondContact OE1-NZ 2.65Å; E143-K146 WeakPolarHBondContact OE2-CD 3.48Å; E143-K146 WeakPolarHBondContact OE2-CE 3.33Å; E143-K146 IonicContact OE2-NZ 2.79Å; E143-K146 PolarHBondContact OE2-NZ 2.83Å |
| 144 | K | 93.6 | Very high | 95 | Very high | 82 Ų | 82 | 70.4 Ų | 70.4 | 36% | 0.357 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175 | -74.1 | -169.5 | 171.6 | -155.1 | 0 | 112.3 | W131 V140 A141 K146 Y147 D151 | W131-K144 HydrophobicContact CH2-CD 4.24Å; W131-K144 VanDerWaalsContact CH2-CE 3.44Å; W131-K144 HydrophobicContact CH2-CG 3.76Å; W131-K144 HydrophobicContact CZ3-CG 3.74Å; V140-K144 HydrophobicContact CG1-CD 4.4Å; V140-K144 WeakPolarHBondContact O-CG 3.48Å; V140-K144 PolarHBondContact O-N 2.78Å; A141-K144 PolarHBondContact O-N 3.49Å; K144-K146 PolarHBondContact O-N 3.04Å; K144-Y147 CarbonylContact O-C 3.34Å; K144-Y147 PolarHBondContact O-N 2.88Å; K144-D151 IonicContact NZ-OD2 3.38Å; K144-D151 PolarHBondContact NZ-OD2 3.17Å |
| 145 | L | 93.9 | Very high | 95.2 | Very high | 139 Ų | 139 | 65.4 Ų | 65.4 | 73% | 0.728 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.6 | -24.4 | 177 | -75.2 | 172.3 | 0 | 0 | 0 | 113.3 | A141 Y142 E143 Y147 | A141-L145 VanDerWaalsContact O-CG 3.3Å; A141-L145 WeakPolarHBondContact O-CG 3.38Å; A141-L145 PolarHBondContact O-N 3.35Å; Y142-L145 PolarHBondContact O-N 2.85Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-L145 PolarHBondContact O-N 3.31Å; L145-Y147 VanDerWaalsContact C-N 3.28Å; L145-Y147 PolarHBondContact O-N 2.78Å |
| 146 | K | 92.1 | Very high | 95.3 | Very high | 61 Ų | 61 | 64.9 Ų | 64.9 | 27% | 0.265 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -28.8 | 178.5 | -67.1 | -177.2 | -169.8 | 165.8 | 0 | 113.2 | Y142 E143 K144 K179 | Y142-K146 HydrophobicContact CE1-CD 4.46Å; Y142-K146 PolarHBondContact O-N 3.39Å; E143-K146 WeakPolarHBondContact O-CB 3.41Å; E143-K146 PolarHBondContact O-N 2.71Å; E143-K146 VanDerWaalsContact O-N 3.11Å; E143-K146 IonicContact OE1-NZ 2.61Å; E143-K146 PolarHBondContact OE1-NZ 2.65Å; E143-K146 WeakPolarHBondContact OE2-CD 3.48Å; E143-K146 WeakPolarHBondContact OE2-CE 3.33Å; E143-K146 IonicContact OE2-NZ 2.79Å; E143-K146 PolarHBondContact OE2-NZ 2.83Å; K144-K146 PolarHBondContact O-N 3.04Å; K146-K179 WeakPolarHBondContact O-CG 3.09Å |
| 147 | Y | 95 | Very high | 95.3 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | trans | -157.6 | 89.7 | -179.4 | -169.4 | -125 | 0 | 0 | 0 | 110.9 | K144 L145 Y149 I150 I153 R156 V181 | K144-Y147 CarbonylContact O-C 3.34Å; K144-Y147 PolarHBondContact O-N 2.88Å; L145-Y147 VanDerWaalsContact C-N 3.28Å; L145-Y147 PolarHBondContact O-N 2.78Å; Y147-Y149 HydrophobicContact CD2-CD2 4.39Å; Y147-Y149 AromaticContact CE2-CD2 3.81Å; Y147-Y149 HydrophobicContact CE2-CD2 3.81Å; Y147-Y149 PolarHBondContact O-N 2.98Å; Y147-Y149 VanDerWaalsContact O-N 3.08Å; Y147-I150 HydrophobicContact CD1-CB 3.78Å; Y147-I150 HydrophobicContact CD1-CD1 4.06Å; Y147-I150 HydrophobicContact CD1-CG1 4.25Å; Y147-I150 HydrophobicContact CE1-CD1 4.43Å; Y147-I150 WeakPolarHBondContact O-CB 3.15Å; Y147-I150 WeakPolarHBondContact O-CG2 3.46Å; Y147-I150 PolarHBondContact O-N 2.9Å; Y147-I150 VanDerWaalsContact O-N 3.14Å; Y147-I153 HydrophobicContact CE1-CD1 3.86Å; Y147-I153 HydrophobicContact CE1-CG1 4.17Å; Y147-I153 WeakPolarHBondContact OH-CD1 3.22Å; Y147-R156 HydrophobicContact CD1-CB 3.76Å; Y147-R156 HydrophobicContact CD1-CG 3.81Å; Y147-R156 HydrophobicContact CD2-CG 4.43Å; Y147-R156 HydrophobicContact CE1-CB 3.9Å; Y147-R156 HydrophobicContact CE1-CG 4.03Å; Y147-R156 HydrophobicContact CG-CB 4.47Å; Y147-R156 HydrophobicContact CG-CG 4.05Å; Y147-V181 VanDerWaalsContact CE2-O 3.27Å; Y147-V181 WeakPolarHBondContact CE2-O 3.19Å; Y147-V181 PolarHBondContact OH-O 2.76Å | ||
| 148 | P | 94.2 | Very high | 95.3 | Very high | 93 Ų | 93 | 56.2 Ų | 56.2 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21 | -173.3 | -27.5 | 36.3 | 0 | 0 | 0 | 115.3 | I150 | P148-I150 VanDerWaalsContact C-N 3.31Š|
| 149 | Y | 95.9 | Very high | 95.2 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.5 | -178.6 | -52.6 | -64.9 | 0 | 0 | 0 | 113.9 | Y147 D151 Q152 I153 Q182 P183 | Y147-Y149 HydrophobicContact CD2-CD2 4.39Å; Y147-Y149 AromaticContact CE2-CD2 3.81Å; Y147-Y149 HydrophobicContact CE2-CD2 3.81Å; Y147-Y149 PolarHBondContact O-N 2.98Å; Y147-Y149 VanDerWaalsContact O-N 3.08Å; Y149-D151 VanDerWaalsContact C-N 3.26Å; Y149-D151 PolarHBondContact O-N 3.48Å; Y149-Q152 PolarHBondContact O-N 3.07Å; Y149-I153 WeakPolarHBondContact O-CG1 3.32Å; Y149-I153 PolarHBondContact O-N 2.83Å; Y149-I153 VanDerWaalsContact O-N 3.1Å; Y149-Q182 HydrophobicContact CE2-CB 4.41Å; Y149-Q182 HydrophobicContact CE2-CG 3.79Å; Y149-P183 HydrophobicContact CD1-CG 3.94Å; Y149-P183 VanDerWaalsContact CG-CD 3.48Å; Y149-P183 HydrophobicContact CG-CG 4.11Å |
| 150 | I | 95.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -34.7 | -172.8 | -157.4 | 36.7 | 0 | 0 | 0 | 112.8 | G127 T130 Y147 P148 Q152 G154 F155 R156 | G127-I150 WeakPolarHBondContact O-CD1 3.37Å; T130-I150 HydrophobicContact CG2-CG1 4.27Å; Y147-I150 HydrophobicContact CD1-CB 3.78Å; Y147-I150 HydrophobicContact CD1-CD1 4.06Å; Y147-I150 HydrophobicContact CD1-CG1 4.25Å; Y147-I150 HydrophobicContact CE1-CD1 4.43Å; Y147-I150 WeakPolarHBondContact O-CB 3.15Å; Y147-I150 WeakPolarHBondContact O-CG2 3.46Å; Y147-I150 PolarHBondContact O-N 2.9Å; Y147-I150 VanDerWaalsContact O-N 3.14Å; P148-I150 VanDerWaalsContact C-N 3.31Å; I150-Q152 VanDerWaalsContact C-N 3.29Å; I150-Q152 PolarHBondContact O-N 2.94Å; I150-G154 WeakPolarHBondContact O-CA 3.4Å; I150-G154 PolarHBondContact O-N 2.91Å; I150-F155 WeakPolarHBondContact CD1-O 3.1Å; I150-R156 HydrophobicContact CD1-CB 4.27Å |
| 151 | D | 93.6 | Very high | 95.3 | Very high | 77 Ų | 77 | 43.2 Ų | 43.2 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.8 | -26.2 | 177.3 | -74 | -27.4 | 0 | 0 | 0 | 112.2 | K144 Y149 | K144-D151 IonicContact NZ-OD2 3.38Å; K144-D151 PolarHBondContact NZ-OD2 3.17Å; Y149-D151 VanDerWaalsContact C-N 3.26Å; Y149-D151 PolarHBondContact O-N 3.48Å |
| 152 | Q | 94.1 | Very high | 95.3 | Very high | 124 Ų | 124 | 40.8 Ų | 40.8 | 58% | 0.579 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -87.6 | -36.8 | -179.3 | -175.8 | 176.4 | 14.6 | 0 | 0 | 113.1 | Y149 I150 P183 | Y149-Q152 PolarHBondContact O-N 3.07Å; I150-Q152 VanDerWaalsContact C-N 3.29Å; I150-Q152 PolarHBondContact O-N 2.94Å; Q152-P183 HydrophobicContact CG-CG 4.26Å |
| 153 | I | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -112.2 | -11 | -173.9 | 66.6 | 163 | 0 | 0 | 0 | 114.5 | Y147 Y149 F155 P183 V186 E273 | Y147-I153 HydrophobicContact CE1-CD1 3.86Å; Y147-I153 HydrophobicContact CE1-CG1 4.17Å; Y147-I153 WeakPolarHBondContact OH-CD1 3.22Å; Y149-I153 WeakPolarHBondContact O-CG1 3.32Å; Y149-I153 PolarHBondContact O-N 2.83Å; Y149-I153 VanDerWaalsContact O-N 3.1Å; I153-F155 HydrophobicContact CB-CE1 4.46Å; I153-F155 HydrophobicContact CD1-CD2 4.46Å; I153-F155 HydrophobicContact CD1-CE2 4.29Å; I153-F155 HydrophobicContact CD1-CZ 4.37Å; I153-F155 WeakPolarHBondContact CD1-O 3.46Å; I153-F155 VanDerWaalsContact CG1-O 3.31Å; I153-F155 WeakPolarHBondContact CG1-O 3.21Å; I153-F155 WeakPolarHBondContact O-CD1 3.42Å; I153-F155 WeakPolarHBondContact O-CE1 3.33Å; I153-F155 PolarHBondContact O-N 2.92Å; I153-P183 HydrophobicContact CG2-CB 3.43Å; I153-P183 VanDerWaalsContact CG2-CB 3.43Å; I153-P183 HydrophobicContact CG2-CG 3.67Å; I153-V186 HydrophobicContact CD1-CG2 4.49Å; I153-E273 WeakPolarHBondContact O-CB 3.34Å |
| 154 | G | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 70.1 | -6.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | G127 I150 G270 | G127-G154 CarbonylContact C-O 3.59Å; G127-G154 VanDerWaalsContact CA-O 3.26Å; G127-G154 WeakPolarHBondContact CA-O 3.19Å; G127-G154 PolarHBondContact N-O 3.06Å; I150-G154 WeakPolarHBondContact O-CA 3.4Å; I150-G154 PolarHBondContact O-N 2.91Å; G154-G270 WeakPolarHBondContact O-CA 3.35Å |
| 155 | F | 97.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 168.3 | 176.1 | 67.3 | -93.7 | 0 | 0 | 0 | 111.7 | V124 K125 I126 I150 I153 V186 E273 L274 R277 | V124-F155 HydrophobicContact CG1-CB 3.96Å; V124-F155 HydrophobicContact CG1-CD2 3.67Å; V124-F155 HydrophobicContact CG1-CG 4.13Å; K125-F155 CarbonylContact O-C 3.6Å; K125-F155 VanDerWaalsContact O-CA 3.26Å; K125-F155 WeakPolarHBondContact O-CA 3.19Å; K125-F155 WeakPolarHBondContact O-CB 3.33Å; I126-F155 HydrophobicContact CD1-CB 4.03Å; I150-F155 WeakPolarHBondContact CD1-O 3.1Å; I153-F155 HydrophobicContact CB-CE1 4.46Å; I153-F155 HydrophobicContact CD1-CD2 4.46Å; I153-F155 HydrophobicContact CD1-CE2 4.29Å; I153-F155 HydrophobicContact CD1-CZ 4.37Å; I153-F155 WeakPolarHBondContact CD1-O 3.46Å; I153-F155 VanDerWaalsContact CG1-O 3.31Å; I153-F155 WeakPolarHBondContact CG1-O 3.21Å; I153-F155 WeakPolarHBondContact O-CD1 3.42Å; I153-F155 WeakPolarHBondContact O-CE1 3.33Å; I153-F155 PolarHBondContact O-N 2.92Å; F155-V186 HydrophobicContact CE2-CG1 4.48Å; F155-V186 HydrophobicContact CZ-CG1 3.94Å; F155-V186 HydrophobicContact CZ-CG2 4.26Å; F155-E273 HydrophobicContact CD1-CB 4.18Å; F155-E273 HydrophobicContact CE1-CB 4.27Å; F155-L274 HydrophobicContact CD1-CB 3.8Å; F155-L274 HydrophobicContact CD2-CD1 4.33Å; F155-L274 HydrophobicContact CE1-CB 4.04Å; F155-L274 HydrophobicContact CE1-CD1 4.3Å; F155-L274 HydrophobicContact CE2-CD1 4.1Å; F155-L274 HydrophobicContact CG-CB 4.26Å; F155-L274 HydrophobicContact CZ-CD1 4.09Å; F155-R277 HydrophobicContact CE1-CG 4.48Å |
| 156 | R | 96.8 | Very high | 94.6 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 127.8 | 175.8 | 177.9 | -175.7 | 167.9 | -169.4 | -12.1 | 111.4 | V124 K125 Y147 I150 L158 K175 | V124-R156 CarbonylContact C-O 3.19Å; V124-R156 WeakPolarHBondContact CA-O 3.25Å; K125-R156 HydrophobicContact CB-CB 4.49Å; K125-R156 PolarHBondContact N-O 2.84Å; K125-R156 PolarHBondContact O-N 2.88Å; Y147-R156 HydrophobicContact CD1-CB 3.76Å; Y147-R156 HydrophobicContact CD1-CG 3.81Å; Y147-R156 HydrophobicContact CD2-CG 4.43Å; Y147-R156 HydrophobicContact CE1-CB 3.9Å; Y147-R156 HydrophobicContact CE1-CG 4.03Å; Y147-R156 HydrophobicContact CG-CB 4.47Å; Y147-R156 HydrophobicContact CG-CG 4.05Å; I150-R156 HydrophobicContact CD1-CB 4.27Å; R156-L158 HydrophobicContact CG-CD2 4.29Å; R156-L158 PolarHBondContact O-N 3.43Å; R156-K175 PolarHBondContact NH2-O 2.98Å |
| 157 | V | 97 | Very high | 94.6 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 116 | 169 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | M122 D123 G159 M160 W177 G178 V189 | M122-V157 HydrophobicContact CG-CG1 4.02Å; M122-V157 HydrophobicContact SD-CG1 4.23Å; M122-V157 HydrophobicContact SD-CG2 4.3Å; D123-V157 CarbonylContact O-C 3.5Å; V157-G159 VanDerWaalsContact C-N 3.34Å; V157-M160 HydrophobicContact CG1-CE 4.18Å; V157-W177 HydrophobicContact CG1-CZ3 3.93Å; V157-G178 VanDerWaalsContact O-CA 3.26Å; V157-G178 WeakPolarHBondContact O-CA 3.49Å; V157-V189 HydrophobicContact CG1-CG1 4.44Å; V157-V189 HydrophobicContact CG2-CG1 3.84Å |
| 158 | L | 95.6 | Very high | 94.4 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -17.2 | 176 | -62.7 | -169.8 | 0 | 0 | 0 | 112.5 | A19 D123 K125 R156 D174 K175 | A19-L158 HydrophobicContact CB-CB 3.7Å; A19-L158 HydrophobicContact CB-CD1 4.23Å; D123-L158 HydrophobicContact CB-CB 4.25Å; D123-L158 PolarHBondContact O-N 3.29Å; D123-L158 WeakPolarHBondContact OD1-CD1 3.28Å; K125-L158 HydrophobicContact CB-CD1 4.16Å; K125-L158 HydrophobicContact CB-CD2 4.1Å; K125-L158 HydrophobicContact CB-CG 3.99Å; R156-L158 HydrophobicContact CG-CD2 4.29Å; R156-L158 PolarHBondContact O-N 3.43Å; L158-D174 CarbonylContact O-C 3.6Å; L158-D174 VanDerWaalsContact O-C 3.32Å; L158-K175 WeakPolarHBondContact O-CA 3.33Å; L158-K175 WeakPolarHBondContact O-CB 3.42Å; L158-K175 PolarHBondContact O-N 2.92Å |
| 159 | G | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158 | 179.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I18 D123 V157 R173 | I18-G159 VanDerWaalsContact CG2-CA 3.43Å; D123-G159 PolarHBondContact N-O 2.92Å; D123-G159 VanDerWaalsContact N-O 3.07Å; V157-G159 VanDerWaalsContact C-N 3.34Å; G159-R173 CarbonylContact C-O 3.45Å; G159-R173 WeakPolarHBondContact CA-O 3.32Å |
| 160 | M | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 157.8 | 174.6 | 57.7 | 178.8 | 69 | 0 | 0 | 110.9 | I18 I121 M122 V157 V162 T172 R173 W177 V189 L192 F193 | I18-M160 VanDerWaalsContact CG2-N 3.31Å; I121-M160 CarbonylContact O-C 3.57Å; I121-M160 WeakPolarHBondContact O-CA 3.43Å; I121-M160 VanDerWaalsContact O-CB 3.25Å; I121-M160 WeakPolarHBondContact O-CB 3.17Å; M122-M160 HydrophobicContact CB-CB 4.21Å; M122-M160 HydrophobicContact CG-CB 4.37Å; M122-M160 HydrophobicContact CG-CE 4.45Å; M122-M160 HydrophobicContact SD-CE 3.97Å; V157-M160 HydrophobicContact CG1-CE 4.18Å; M160-V162 HydrophobicContact CB-CG2 4.27Å; M160-V162 HydrophobicContact CG-CG2 4.18Å; M160-V162 HydrophobicContact SD-CG2 3.89Å; M160-T172 CarbonylContact O-C 3.45Å; M160-T172 WeakPolarHBondContact O-CA 3.44Å; M160-R173 HydrophobicContact CG-CB 3.81Å; M160-R173 HydrophobicContact CG-CG 3.97Å; M160-R173 PolarHBondContact N-O 2.86Å; M160-R173 PolarHBondContact O-N 2.83Å; M160-R173 HydrophobicContact SD-CG 4.38Å; M160-W177 HydrophobicContact CE-CH2 3.45Å; M160-W177 VanDerWaalsContact CE-CH2 3.45Å; M160-W177 HydrophobicContact CE-CZ3 3.68Å; M160-W177 HydrophobicContact CG-CZ3 4.49Å; M160-W177 HydrophobicContact SD-CH2 4.15Å; M160-W177 HydrophobicContact SD-CZ3 4.45Å; M160-V189 HydrophobicContact CE-CB 4.46Å; M160-V189 HydrophobicContact CE-CG1 3.38Å; M160-L192 HydrophobicContact SD-CB 4.44Å; M160-L192 HydrophobicContact SD-CD2 3.66Å; M160-L192 HydrophobicContact SD-CG 3.85Å; M160-F193 HydrophobicContact CE-CB 4.32Å; M160-F193 HydrophobicContact SD-CB 4.39Å |
| 161 | S | 96.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 116.1 | 166.1 | -171.7 | 0 | 0 | 0 | 0 | 108 | C120 I121 R170 I171 T172 | C120-S161 CarbonylContact C-O 3.51Å; C120-S161 VanDerWaalsContact CA-O 3.27Å; C120-S161 WeakPolarHBondContact CA-O 3.24Å; I121-S161 PolarHBondContact N-O 3.27Å; I121-S161 PolarHBondContact O-N 3.05Å; S161-R170 VanDerWaalsContact OG-CD 3.26Å; S161-R170 WeakPolarHBondContact OG-CD 3.44Å; S161-R170 WeakPolarHBondContact OG-CG 3.47Å; S161-R170 PolarHBondContact OG-NH1 3.17Å; S161-I171 WeakPolarHBondContact CA-O 3.45Å; S161-T172 PolarHBondContact OG-OG1 3.43Å |
| 162 | V | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.6 | -170.9 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | M160 R170 I171 F193 | M160-V162 HydrophobicContact CB-CG2 4.27Å; M160-V162 HydrophobicContact CG-CG2 4.18Å; M160-V162 HydrophobicContact SD-CG2 3.89Å; V162-R170 CarbonylContact O-C 3.52Å; V162-R170 WeakPolarHBondContact O-CA 3.2Å; V162-I171 PolarHBondContact N-O 3.27Å; V162-I171 PolarHBondContact O-N 2.77Å; V162-F193 HydrophobicContact CG2-CD2 3.95Å |
| 163 | Y | 94.3 | Very high | 94.3 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 11% | 0.106 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.2 | 168.1 | -176 | -101.1 | 0 | 0 | 0 | 109.5 | Q118 C120 P165 R168 N195 A238 | Q118-Y163 HydrophobicContact CB-CD1 3.65Å; Q118-Y163 HydrophobicContact CB-CE1 4.19Å; Q118-Y163 HydrophobicContact CB-CG 3.88Å; Q118-Y163 HydrophobicContact CG-CD1 3.71Å; Q118-Y163 HydrophobicContact CG-CD2 4.42Å; Q118-Y163 HydrophobicContact CG-CE1 3.73Å; Q118-Y163 HydrophobicContact CG-CE2 4.47Å; Q118-Y163 HydrophobicContact CG-CG 4.05Å; C120-Y163 PolarHBondContact SG-N 3.13Å; Y163-P165 HydrophobicContact CE1-CB 4.37Å; Y163-P165 WeakPolarHBondContact O-CD 3.31Å; Y163-R168 WeakPolarHBondContact OH-CA 3.29Å; Y163-N195 PolarHBondContact O-ND2 2.79Å; Y163-A238 HydrophobicContact CD1-CB 3.94Å |
| 164 | D | 91.8 | Very high | 94.1 | Very high | 19 Ų | 19 | 47.6 Ų | 47.6 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 113.5 | 171 | 173.1 | 7 | 0 | 0 | 0 | 109.1 | V166 S167 R168 Q169 | D164-V166 PolarHBondContact O-N 2.88Å; D164-V166 WeakPolarHBondContact OD1-CB 3.39Å; D164-V166 PolarHBondContact OD1-N 3.43Å; D164-S167 WeakPolarHBondContact CB-OG 3.27Å; D164-S167 VanDerWaalsContact OD2-CB 3.27Å; D164-S167 WeakPolarHBondContact OD2-CB 3.34Å; D164-S167 PolarHBondContact OD2-N 3.2Å; D164-S167 PolarHBondContact OD2-OG 3.13Å; D164-R168 WeakPolarHBondContact O-CA 3.08Å; D164-R168 PolarHBondContact O-N 2.99Å; D164-Q169 PolarHBondContact N-O 3.24Å; D164-Q169 PolarHBondContact O-N 2.92Å |
| 165 | P | 88.1 | Confident | 93.8 | Very high | 66 Ų | 66 | 51 Ų | 51 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19 | -178.3 | 29.1 | -35.2 | 0 | 0 | 0 | 113.7 | Y163 | Y163-P165 HydrophobicContact CE1-CB 4.37Å; Y163-P165 WeakPolarHBondContact O-CD 3.31Å |
| 166 | V | 87.9 | Confident | 93.5 | Very high | 94 Ų | 94 | 53 Ų | 53 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -56 | -178.5 | 179 | 0 | 0 | 0 | 0 | 110.6 | D164 R168 K198 | D164-V166 PolarHBondContact O-N 2.88Å; D164-V166 WeakPolarHBondContact OD1-CB 3.39Å; D164-V166 PolarHBondContact OD1-N 3.43Å; V166-R168 PolarHBondContact O-N 2.85Å; V166-K198 HydrophobicContact CB-CD 4.41Å; V166-K198 HydrophobicContact CG2-CB 4.09Å; V166-K198 HydrophobicContact CG2-CD 3.95Å; V166-K198 HydrophobicContact CG2-CG 3.82Å |
| 167 | S | 91.4 | Very high | 93.4 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 37% | 0.371 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -15.9 | 175.2 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | D164 Q169 | D164-S167 WeakPolarHBondContact CB-OG 3.27Å; D164-S167 VanDerWaalsContact OD2-CB 3.27Å; D164-S167 WeakPolarHBondContact OD2-CB 3.34Å; D164-S167 PolarHBondContact OD2-N 3.2Å; D164-S167 PolarHBondContact OD2-OG 3.13Å; S167-Q169 PolarHBondContact O-N 3.25Å; S167-Q169 PolarHBondContact OG-N 3.14Å |
| 168 | R | 92.1 | Very high | 93.3 | Very high | 194 Ų | 194 | 54.2 Ų | 54.2 | 73% | 0.732 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 26.4 | -173.5 | -56.9 | 174 | 63.6 | 174.6 | -0.6 | 112.6 | Y163 D164 V166 | Y163-R168 WeakPolarHBondContact OH-CA 3.29Å; D164-R168 WeakPolarHBondContact O-CA 3.08Å; D164-R168 PolarHBondContact O-N 2.99Å; V166-R168 PolarHBondContact O-N 2.85Å |
| 169 | Q | 93.7 | Very high | 93.2 | Very high | 130 Ų | 130 | 57.1 Ų | 57.1 | 61% | 0.607 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 153.5 | -179.1 | -65.3 | -176.7 | 2.3 | 0 | 0 | 111.7 | D164 S167 | D164-Q169 PolarHBondContact N-O 3.24Å; D164-Q169 PolarHBondContact O-N 2.92Å; S167-Q169 PolarHBondContact O-N 3.25Å; S167-Q169 PolarHBondContact OG-N 3.14Å |
| 170 | R | 93.7 | Very high | 93.2 | Very high | 81 Ų | 81 | 64.7 Ų | 64.7 | 31% | 0.306 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.3 | 172.7 | -178.2 | 171.5 | -70.5 | -72.3 | -4.9 | 109.5 | P119 S161 V162 | P119-R170 PolarHBondContact O-NH1 3.16Å; P119-R170 PolarHBondContact O-NH2 3.29Å; S161-R170 VanDerWaalsContact OG-CD 3.26Å; S161-R170 WeakPolarHBondContact OG-CD 3.44Å; S161-R170 WeakPolarHBondContact OG-CG 3.47Å; S161-R170 PolarHBondContact OG-NH1 3.17Å; V162-R170 CarbonylContact O-C 3.52Å; V162-R170 WeakPolarHBondContact O-CA 3.2Å |
| 171 | I | 93.1 | Very high | 93.2 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118.5 | 174.1 | -57.9 | 173.4 | 0 | 0 | 0 | 107.7 | S161 V162 R173 L192 | S161-I171 WeakPolarHBondContact CA-O 3.45Å; V162-I171 PolarHBondContact N-O 3.27Å; V162-I171 PolarHBondContact O-N 2.77Å; I171-R173 VanDerWaalsContact CG2-CZ 3.5Å; I171-R173 VanDerWaalsContact CG2-NH1 3.34Å; I171-L192 HydrophobicContact CD1-CD1 4.08Å; I171-L192 HydrophobicContact CG2-CD1 4.31Å |
| 172 | T | 94.4 | Very high | 93.2 | Very high | 78 Ų | 78 | 68.2 Ų | 68.2 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 139.4 | 174 | -60 | 0 | 0 | 0 | 0 | 109.9 | M160 S161 | M160-T172 CarbonylContact O-C 3.45Å; M160-T172 WeakPolarHBondContact O-CA 3.44Å; S161-T172 PolarHBondContact OG-OG1 3.43Å |
| 173 | R | 94.9 | Very high | 93.2 | Very high | 89 Ų | 89 | 68.8 Ų | 68.8 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 133.5 | 171.1 | -59.9 | -63.2 | -178.1 | -115.4 | 3.7 | 108.8 | G159 M160 I171 W177 L192 | G159-R173 CarbonylContact C-O 3.45Å; G159-R173 WeakPolarHBondContact CA-O 3.32Å; M160-R173 HydrophobicContact CG-CB 3.81Å; M160-R173 HydrophobicContact CG-CG 3.97Å; M160-R173 PolarHBondContact N-O 2.86Å; M160-R173 PolarHBondContact O-N 2.83Å; M160-R173 HydrophobicContact SD-CG 4.38Å; I171-R173 VanDerWaalsContact CG2-CZ 3.5Å; I171-R173 VanDerWaalsContact CG2-NH1 3.34Å; R173-W177 HydrophobicContact CB-CB 4.18Å; R173-W177 HydrophobicContact CB-CD2 3.5Å; R173-W177 VanDerWaalsContact CB-CD2 3.5Å; R173-W177 HydrophobicContact CB-CE3 3.38Å; R173-W177 HydrophobicContact CB-CG 3.86Å; R173-W177 HydrophobicContact CB-CZ3 3.93Å; R173-W177 HydrophobicContact CG-CD2 3.67Å; R173-W177 HydrophobicContact CG-CE3 3.93Å; R173-W177 HydrophobicContact CG-CG 4.06Å; R173-W177 HydrophobicContact CG-CH2 4.34Å; R173-W177 HydrophobicContact CG-CZ2 4.12Å; R173-W177 HydrophobicContact CG-CZ3 4.26Å; R173-L192 HydrophobicContact CG-CD2 4.03Å |
| 174 | D | 91.9 | Very high | 93.3 | Very high | 72 Ų | 72 | 75.1 Ų | 75.1 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | trans | -98.9 | -175.9 | -176.5 | 69.6 | 9.1 | 0 | 0 | 0 | 112.3 | L158 D176 W177 G178 | L158-D174 CarbonylContact O-C 3.6Å; L158-D174 VanDerWaalsContact O-C 3.32Å; D174-D176 PolarHBondContact O-N 3.47Å; D174-D176 PolarHBondContact OD1-N 3.32Å; D174-W177 WeakPolarHBondContact O-CB 3.47Å; D174-W177 PolarHBondContact O-N 3.33Å; D174-W177 PolarHBondContact OD1-N 3.45Å; D174-G178 PolarHBondContact O-N 3.43Å | ||
| 175 | K | 90.8 | Very high | 93.4 | Very high | 71 Ų | 71 | 76.2 Ų | 76.2 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.4 | -27.5 | 178.7 | 71.6 | -174 | 178.2 | -173.6 | 0 | 114 | R156 L158 G178 K179 | R156-K175 PolarHBondContact NH2-O 2.98Å; L158-K175 WeakPolarHBondContact O-CA 3.33Å; L158-K175 WeakPolarHBondContact O-CB 3.42Å; L158-K175 PolarHBondContact O-N 2.92Å; K175-G178 PolarHBondContact O-N 3.06Å; K175-K179 WeakPolarHBondContact O-CG 3.45Å; K175-K179 PolarHBondContact O-N 3.1Å; K175-K179 VanDerWaalsContact O-N 3.1Å |
| 176 | D | 92.3 | Very high | 93.8 | Very high | 47 Ų | 47 | 73.2 Ų | 73.2 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -81.6 | -33.1 | -177.1 | -67.5 | -40.5 | 0 | 0 | 0 | 109.8 | R25 D174 K179 R180 | R25-D176 IonicContact NH1-OD2 3.84Å; D174-D176 PolarHBondContact O-N 3.47Å; D174-D176 PolarHBondContact OD1-N 3.32Å; D176-K179 IonicContact OD1-NZ 3.68Å; D176-K179 PolarHBondContact OD1-NZ 3.37Å; D176-R180 VanDerWaalsContact C-NH1 3.3Å; D176-R180 PolarHBondContact O-NH1 3.29Å |
| 177 | W | 94.3 | Very high | 94.1 | Very high | 49 Ų | 49 | 73.6 Ų | 73.6 | 19% | 0.186 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 161.6 | 174.8 | 87.3 | 0 | 0 | 0 | 111.8 | V157 M160 R173 D174 K179 R180 V181 V189 L192 | V157-W177 HydrophobicContact CG1-CZ3 3.93Å; M160-W177 HydrophobicContact CE-CH2 3.45Å; M160-W177 VanDerWaalsContact CE-CH2 3.45Å; M160-W177 HydrophobicContact CE-CZ3 3.68Å; M160-W177 HydrophobicContact CG-CZ3 4.49Å; M160-W177 HydrophobicContact SD-CH2 4.15Å; M160-W177 HydrophobicContact SD-CZ3 4.45Å; R173-W177 HydrophobicContact CB-CB 4.18Å; R173-W177 HydrophobicContact CB-CD2 3.5Å; R173-W177 VanDerWaalsContact CB-CD2 3.5Å; R173-W177 HydrophobicContact CB-CE3 3.38Å; R173-W177 HydrophobicContact CB-CG 3.86Å; R173-W177 HydrophobicContact CB-CZ3 3.93Å; R173-W177 HydrophobicContact CG-CD2 3.67Å; R173-W177 HydrophobicContact CG-CE3 3.93Å; R173-W177 HydrophobicContact CG-CG 4.06Å; R173-W177 HydrophobicContact CG-CH2 4.34Å; R173-W177 HydrophobicContact CG-CZ2 4.12Å; R173-W177 HydrophobicContact CG-CZ3 4.26Å; D174-W177 WeakPolarHBondContact O-CB 3.47Å; D174-W177 PolarHBondContact O-N 3.33Å; D174-W177 PolarHBondContact OD1-N 3.45Å; W177-K179 VanDerWaalsContact C-N 3.25Å; W177-K179 PolarHBondContact O-N 2.97Å; W177-R180 WeakPolarHBondContact O-CB 3.13Å; W177-R180 PolarHBondContact O-N 3.37Å; W177-V181 HydrophobicContact CE3-CG2 4.44Å; W177-V181 HydrophobicContact CH2-CG2 4.14Å; W177-V181 HydrophobicContact CZ2-CG2 4.37Å; W177-V181 HydrophobicContact CZ3-CG2 4.16Å; W177-V189 HydrophobicContact CH2-CB 4.39Å; W177-V189 HydrophobicContact CH2-CG1 4.15Å; W177-V189 HydrophobicContact CH2-CG2 3.89Å; W177-V189 HydrophobicContact CZ2-CG2 4.45Å; W177-L192 HydrophobicContact CZ2-CD2 4.21Å |
| 178 | G | 94.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.3 | -33.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V157 D174 K175 R180 V181 | V157-G178 VanDerWaalsContact O-CA 3.26Å; V157-G178 WeakPolarHBondContact O-CA 3.49Å; D174-G178 PolarHBondContact O-N 3.43Å; K175-G178 PolarHBondContact O-N 3.06Å; G178-R180 PolarHBondContact O-N 3.02Å; G178-V181 PolarHBondContact O-N 2.92Å |
| 179 | K | 93.7 | Very high | 94.5 | Very high | 78 Ų | 78 | 67.8 Ų | 67.8 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -23.9 | 174.6 | -72.4 | 174 | -171.8 | 161.6 | 0 | 114 | K146 K175 D176 W177 | K146-K179 WeakPolarHBondContact O-CG 3.09Å; K175-K179 WeakPolarHBondContact O-CG 3.45Å; K175-K179 PolarHBondContact O-N 3.1Å; K175-K179 VanDerWaalsContact O-N 3.1Å; D176-K179 IonicContact OD1-NZ 3.68Å; D176-K179 PolarHBondContact OD1-NZ 3.37Å; W177-K179 VanDerWaalsContact C-N 3.25Å; W177-K179 PolarHBondContact O-N 2.97Å |
| 180 | R | 95.2 | Very high | 94.6 | Very high | 159 Ų | 159 | 61.6 Ų | 61.6 | 60% | 0.6 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -9.2 | -177.3 | -60.9 | -170.2 | -62.2 | -88.9 | 10 | 112.9 | D176 W177 G178 Q182 | D176-R180 VanDerWaalsContact C-NH1 3.3Å; D176-R180 PolarHBondContact O-NH1 3.29Å; W177-R180 WeakPolarHBondContact O-CB 3.13Å; W177-R180 PolarHBondContact O-N 3.37Å; G178-R180 PolarHBondContact O-N 3.02Å; R180-Q182 PolarHBondContact O-N 2.92Å |
| 181 | V | 96.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 60.3 Ų | 60.3 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | trans | -65.8 | 116.8 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | Y147 W177 G178 V186 V189 | Y147-V181 VanDerWaalsContact CE2-O 3.27Å; Y147-V181 WeakPolarHBondContact CE2-O 3.19Å; Y147-V181 PolarHBondContact OH-O 2.76Å; W177-V181 HydrophobicContact CE3-CG2 4.44Å; W177-V181 HydrophobicContact CH2-CG2 4.14Å; W177-V181 HydrophobicContact CZ2-CG2 4.37Å; W177-V181 HydrophobicContact CZ3-CG2 4.16Å; G178-V181 PolarHBondContact O-N 2.92Å; V181-V186 HydrophobicContact CG1-CG2 4.34Å; V181-V189 HydrophobicContact CB-CG2 4.41Å; V181-V189 HydrophobicContact CG1-CG2 3.65Å; V181-V189 HydrophobicContact CG2-CG2 3.8Å | ||
| 182 | Q | 96.5 | Very high | 94.7 | Very high | 67 Ų | 67 | 60 Ų | 60 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | trans | -91.7 | 156.3 | 174.4 | -60.9 | -174.7 | 24.3 | 0 | 0 | 110 | Y149 R180 K184 N185 | Y149-Q182 HydrophobicContact CE2-CB 4.41Å; Y149-Q182 HydrophobicContact CE2-CG 3.79Å; R180-Q182 PolarHBondContact O-N 2.92Å; Q182-K184 HydrophobicContact CB-CG 4.13Å; Q182-K184 PolarHBondContact O-N 3.46Å; Q182-K184 VanDerWaalsContact O-N 3.1Å; Q182-K184 VanDerWaalsContact OE1-CE 3.22Å; Q182-N185 PolarHBondContact O-N 3.26Å | ||
| 183 | P | 95.9 | Very high | 94.8 | Very high | 14 Ų | 14 | 56.3 Ų | 56.3 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -48.2 | -39.3 | 176.8 | -23.7 | 20.9 | 0 | 0 | 0 | 114.9 | Y149 Q152 I153 N185 V186 R277 | Y149-P183 HydrophobicContact CD1-CG 3.94Å; Y149-P183 VanDerWaalsContact CG-CD 3.48Å; Y149-P183 HydrophobicContact CG-CG 4.11Å; Q152-P183 HydrophobicContact CG-CG 4.26Å; I153-P183 HydrophobicContact CG2-CB 3.43Å; I153-P183 VanDerWaalsContact CG2-CB 3.43Å; I153-P183 HydrophobicContact CG2-CG 3.67Å; P183-N185 VanDerWaalsContact C-N 3.31Å; P183-N185 PolarHBondContact O-N 2.98Å; P183-V186 WeakPolarHBondContact O-CG2 3.22Å; P183-R277 PolarHBondContact O-NH1 3.25Å |
| 184 | K | 95.7 | Very high | 94.8 | Very high | 159 Ų | 159 | 52.1 Ų | 52.1 | 69% | 0.691 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -73.8 | -17 | 179 | 55.6 | 165.5 | -169.3 | -173.1 | 0 | 114.5 | Q182 | Q182-K184 HydrophobicContact CB-CG 4.13Å; Q182-K184 PolarHBondContact O-N 3.46Å; Q182-K184 VanDerWaalsContact O-N 3.1Å; Q182-K184 VanDerWaalsContact OE1-CE 3.22Å |
| 185 | N | 95.6 | Very high | 94.8 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -105.7 | 10.2 | -176.2 | -59.7 | -3.3 | 0 | 0 | 0 | 112.3 | Q182 P183 E187 E188 | Q182-N185 PolarHBondContact O-N 3.26Å; P183-N185 VanDerWaalsContact C-N 3.31Å; P183-N185 PolarHBondContact O-N 2.98Å; N185-E187 PolarHBondContact O-N 3.35Å; N185-E188 WeakPolarHBondContact O-CB 3.23Å; N185-E188 PolarHBondContact O-N 2.89Å |
| 186 | V | 96 | Very high | 94.4 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -34.1 | 179.6 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | I153 F155 V181 P183 E188 V189 F190 R277 | I153-V186 HydrophobicContact CD1-CG2 4.49Å; F155-V186 HydrophobicContact CE2-CG1 4.48Å; F155-V186 HydrophobicContact CZ-CG1 3.94Å; F155-V186 HydrophobicContact CZ-CG2 4.26Å; V181-V186 HydrophobicContact CG1-CG2 4.34Å; P183-V186 WeakPolarHBondContact O-CG2 3.22Å; V186-E188 VanDerWaalsContact C-N 3.3Å; V186-E188 PolarHBondContact O-N 3.16Å; V186-V189 VanDerWaalsContact O-CB 3.23Å; V186-V189 WeakPolarHBondContact O-CB 3.45Å; V186-V189 PolarHBondContact O-N 2.89Å; V186-V189 VanDerWaalsContact O-N 3.12Å; V186-F190 HydrophobicContact CG1-CD2 4.36Å; V186-F190 HydrophobicContact CG1-CE1 4.34Å; V186-F190 HydrophobicContact CG1-CE2 3.69Å; V186-F190 HydrophobicContact CG1-CZ 3.66Å; V186-F190 PolarHBondContact O-N 3.36Å; V186-R277 HydrophobicContact CG1-CB 4.19Å; V186-R277 HydrophobicContact CG1-CG 4.23Å |
| 187 | E | 94.1 | Very high | 93.4 | Very high | 101 Ų | 101 | 52.4 Ų | 52.4 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.6 | -36.1 | 177.8 | -65.4 | -179.5 | -169.6 | 0 | 0 | 112.1 | N185 V189 F190 D191 | N185-E187 PolarHBondContact O-N 3.35Å; E187-V189 PolarHBondContact O-N 3.29Å; E187-F190 CarbonylContact O-C 3.52Å; E187-F190 PolarHBondContact O-N 3.38Å; E187-D191 PolarHBondContact O-N 3.04Å |
| 188 | E | 94.8 | Very high | 92.2 | Very high | 122 Ų | 122 | 55.4 Ų | 55.4 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.9 | -30.4 | 175.6 | -59.8 | 175.2 | -165.2 | 0 | 0 | 112.2 | N185 V186 L192 | N185-E188 WeakPolarHBondContact O-CB 3.23Å; N185-E188 PolarHBondContact O-N 2.89Å; V186-E188 VanDerWaalsContact C-N 3.3Å; V186-E188 PolarHBondContact O-N 3.16Å; E188-L192 WeakPolarHBondContact O-CB 3.48Å; E188-L192 PolarHBondContact O-N 3.05Å; E188-L192 VanDerWaalsContact O-N 3.07Å |
| 189 | V | 96.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 172.5 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | M122 V157 M160 W177 V181 V186 E187 L192 F193 | M122-V189 HydrophobicContact SD-CG1 3.94Å; V157-V189 HydrophobicContact CG1-CG1 4.44Å; V157-V189 HydrophobicContact CG2-CG1 3.84Å; M160-V189 HydrophobicContact CE-CB 4.46Å; M160-V189 HydrophobicContact CE-CG1 3.38Å; W177-V189 HydrophobicContact CH2-CB 4.39Å; W177-V189 HydrophobicContact CH2-CG1 4.15Å; W177-V189 HydrophobicContact CH2-CG2 3.89Å; W177-V189 HydrophobicContact CZ2-CG2 4.45Å; V181-V189 HydrophobicContact CB-CG2 4.41Å; V181-V189 HydrophobicContact CG1-CG2 3.65Å; V181-V189 HydrophobicContact CG2-CG2 3.8Å; V186-V189 VanDerWaalsContact O-CB 3.23Å; V186-V189 WeakPolarHBondContact O-CB 3.45Å; V186-V189 PolarHBondContact O-N 2.89Å; V186-V189 VanDerWaalsContact O-N 3.12Å; E187-V189 PolarHBondContact O-N 3.29Å; V189-L192 PolarHBondContact O-N 3.37Å; V189-F193 VanDerWaalsContact O-CB 3.31Å; V189-F193 WeakPolarHBondContact O-CB 3.48Å; V189-F193 PolarHBondContact O-N 3.02Å |
| 190 | F | 96.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.8 | -37.3 | 179 | -59.1 | -27.7 | 0 | 0 | 0 | 112.2 | M122 V186 E187 L192 F193 F194 L274 R277 L278 Y281 | M122-F190 HydrophobicContact CE-CE1 4.41Å; V186-F190 HydrophobicContact CG1-CD2 4.36Å; V186-F190 HydrophobicContact CG1-CE1 4.34Å; V186-F190 HydrophobicContact CG1-CE2 3.69Å; V186-F190 HydrophobicContact CG1-CZ 3.66Å; V186-F190 PolarHBondContact O-N 3.36Å; E187-F190 CarbonylContact O-C 3.52Å; E187-F190 PolarHBondContact O-N 3.38Å; F190-L192 VanDerWaalsContact C-N 3.28Å; F190-L192 PolarHBondContact O-N 3.45Å; F190-F193 PolarHBondContact O-N 3.04Å; F190-F194 HydrophobicContact CB-CD2 4.05Å; F190-F194 HydrophobicContact CB-CE2 4.31Å; F190-F194 HydrophobicContact CD1-CE2 4.44Å; F190-F194 WeakPolarHBondContact O-CB 3.42Å; F190-F194 WeakPolarHBondContact O-CD2 3.15Å; F190-F194 PolarHBondContact O-N 3.38Å; F190-L274 HydrophobicContact CE1-CD1 4.33Å; F190-L274 HydrophobicContact CZ-CD1 4.07Å; F190-R277 HydrophobicContact CE2-CB 3.75Å; F190-R277 HydrophobicContact CZ-CB 4.17Å; F190-L278 HydrophobicContact CD1-CD2 4.07Å; F190-L278 HydrophobicContact CD2-CD2 4.1Å; F190-L278 HydrophobicContact CE1-CD2 3.88Å; F190-L278 HydrophobicContact CE1-CG 4.31Å; F190-L278 HydrophobicContact CE2-CD2 3.89Å; F190-L278 HydrophobicContact CE2-CG 4.06Å; F190-L278 HydrophobicContact CG-CD2 4.19Å; F190-L278 HydrophobicContact CZ-CD2 3.79Å; F190-L278 HydrophobicContact CZ-CG 3.83Å; F190-Y281 HydrophobicContact CB-CD1 4.09Å; F190-Y281 HydrophobicContact CB-CD2 4.02Å; F190-Y281 HydrophobicContact CB-CE1 3.9Å; F190-Y281 HydrophobicContact CB-CE2 3.85Å; F190-Y281 HydrophobicContact CB-CG 4.14Å; F190-Y281 HydrophobicContact CD2-CD1 4.4Å; F190-Y281 HydrophobicContact CD2-CD2 4.27Å; F190-Y281 HydrophobicContact CD2-CG 4Å; F190-Y281 PolarHBondContact O-OH 2.99Å |
| 191 | D | 94.5 | Very high | 90 | Very high | 53 Ų | 53 | 55.4 Ų | 55.4 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 173.1 | -74 | -5.3 | 0 | 0 | 0 | 111 | E187 N195 R196 Y281 | E187-D191 PolarHBondContact O-N 3.04Å; D191-N195 PolarHBondContact O-N 2.91Å; D191-R196 HydrophobicContact CB-CB 4.11Å; D191-R196 VanDerWaalsContact CG-CD 3.5Å; D191-R196 PolarHBondContact O-N 3.4Å; D191-R196 WeakPolarHBondContact OD1-CD 3.39Å; D191-R196 IonicContact OD1-CZ 3.27Å; D191-R196 IonicContact OD1-NE 3.88Å; D191-R196 IonicContact OD1-NH1 3.76Å; D191-R196 PolarHBondContact OD1-NH1 3.27Å; D191-R196 IonicContact OD2-NH1 3.68Å; D191-Y281 VanDerWaalsContact OD1-CE2 3.24Å; D191-Y281 WeakPolarHBondContact OD1-CE2 3.2Å |
| 192 | L | 94.8 | Very high | 89.7 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 20% | 0.204 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.2 | -51.1 | 176.3 | 179.3 | 59.2 | 0 | 0 | 0 | 111.2 | M160 I171 R173 W177 E188 V189 F190 F194 N195 | M160-L192 HydrophobicContact SD-CB 4.44Å; M160-L192 HydrophobicContact SD-CD2 3.66Å; M160-L192 HydrophobicContact SD-CG 3.85Å; I171-L192 HydrophobicContact CD1-CD1 4.08Å; I171-L192 HydrophobicContact CG2-CD1 4.31Å; R173-L192 HydrophobicContact CG-CD2 4.03Å; W177-L192 HydrophobicContact CZ2-CD2 4.21Å; E188-L192 WeakPolarHBondContact O-CB 3.48Å; E188-L192 PolarHBondContact O-N 3.05Å; E188-L192 VanDerWaalsContact O-N 3.07Å; V189-L192 PolarHBondContact O-N 3.37Å; F190-L192 VanDerWaalsContact C-N 3.28Å; F190-L192 PolarHBondContact O-N 3.45Å; L192-F194 PolarHBondContact O-N 3.34Å; L192-N195 PolarHBondContact O-N 3.29Å |
| 193 | F | 96.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | -174.7 | -179 | -114.8 | 0 | 0 | 0 | 112.9 | C120 I121 M122 M160 V162 V189 F190 I234 Y236 | C120-F193 HydrophobicContact CB-CE2 4.23Å; I121-F193 VanDerWaalsContact C-CE2 3.44Å; M122-F193 HydrophobicContact CB-CD2 3.67Å; M122-F193 HydrophobicContact CB-CE1 4.34Å; M122-F193 HydrophobicContact CB-CE2 3.48Å; M122-F193 VanDerWaalsContact CB-CE2 3.48Å; M122-F193 HydrophobicContact CB-CG 4.21Å; M122-F193 HydrophobicContact CB-CZ 3.83Å; M122-F193 HydrophobicContact CE-CD1 3.87Å; M122-F193 HydrophobicContact CE-CE1 4.1Å; M122-F193 HydrophobicContact CE-CG 4.2Å; M122-F193 HydrophobicContact SD-CB 4.41Å; M122-F193 HydrophobicContact SD-CD1 4.45Å; M122-F193 HydrophobicContact SD-CD2 4.49Å; M122-F193 HydrophobicContact SD-CG 4.19Å; M160-F193 HydrophobicContact CE-CB 4.32Å; M160-F193 HydrophobicContact SD-CB 4.39Å; V162-F193 HydrophobicContact CG2-CD2 3.95Å; V189-F193 VanDerWaalsContact O-CB 3.31Å; V189-F193 WeakPolarHBondContact O-CB 3.48Å; V189-F193 PolarHBondContact O-N 3.02Å; F190-F193 PolarHBondContact O-N 3.04Å; F193-I234 HydrophobicContact CE1-CB 4.43Å; F193-I234 HydrophobicContact CE1-CG2 3.73Å; F193-I234 HydrophobicContact CZ-CB 4.36Å; F193-I234 HydrophobicContact CZ-CG2 3.94Å; F193-Y236 HydrophobicContact CD1-CE1 4.31Å; F193-Y236 AromaticContact CE1-CD1 3.99Å; F193-Y236 HydrophobicContact CE1-CD1 3.99Å; F193-Y236 AromaticContact CE1-CE1 3.91Å; F193-Y236 HydrophobicContact CE1-CE1 3.91Å; F193-Y236 HydrophobicContact CE2-CD1 4.43Å; F193-Y236 HydrophobicContact CE2-CE1 4.1Å; F193-Y236 AromaticContact CZ-CD1 3.78Å; F193-Y236 HydrophobicContact CZ-CD1 3.78Å; F193-Y236 AromaticContact CZ-CE1 3.8Å; F193-Y236 HydrophobicContact CZ-CE1 3.8Å; F193-Y236 VanDerWaalsContact O-CE1 3.29Å; F193-Y236 WeakPolarHBondContact O-CE1 3.16Å; F193-Y236 PolarHBondContact O-OH 2.81Å |
| 194 | F | 94.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 12.3 | -178.4 | -63.4 | -64.8 | 0 | 0 | 0 | 113.7 | F190 L192 R196 P201 V204 I205 V208 Y236 L278 Y281 | F190-F194 HydrophobicContact CB-CD2 4.05Å; F190-F194 HydrophobicContact CB-CE2 4.31Å; F190-F194 HydrophobicContact CD1-CE2 4.44Å; F190-F194 WeakPolarHBondContact O-CB 3.42Å; F190-F194 WeakPolarHBondContact O-CD2 3.15Å; F190-F194 PolarHBondContact O-N 3.38Å; L192-F194 PolarHBondContact O-N 3.34Å; F194-R196 VanDerWaalsContact C-N 3.28Å; F194-R196 PolarHBondContact O-N 3.12Å; F194-P201 HydrophobicContact CB-CG 3.86Å; F194-P201 HydrophobicContact CD1-CG 4.37Å; F194-P201 WeakPolarHBondContact O-CD 3.41Å; F194-P201 VanDerWaalsContact O-CG 3.23Å; F194-P201 WeakPolarHBondContact O-CG 3.07Å; F194-V204 HydrophobicContact CD1-CG1 4.2Å; F194-V204 HydrophobicContact CE1-CG1 4.06Å; F194-I205 HydrophobicContact CB-CD1 4.08Å; F194-I205 HydrophobicContact CB-CG1 4.26Å; F194-I205 HydrophobicContact CD1-CD1 4.26Å; F194-I205 HydrophobicContact CD1-CG1 3.51Å; F194-I205 HydrophobicContact CD2-CD1 4.16Å; F194-I205 HydrophobicContact CD2-CG1 3.88Å; F194-I205 HydrophobicContact CE1-CB 4.5Å; F194-I205 HydrophobicContact CE1-CG1 3.65Å; F194-I205 HydrophobicContact CE2-CG1 4.01Å; F194-I205 HydrophobicContact CE2-CG2 4.34Å; F194-I205 HydrophobicContact CG-CD1 3.93Å; F194-I205 HydrophobicContact CG-CG1 3.62Å; F194-I205 HydrophobicContact CZ-CB 4.5Å; F194-I205 HydrophobicContact CZ-CG1 3.89Å; F194-I205 HydrophobicContact CZ-CG2 4.32Å; F194-V208 HydrophobicContact CE1-CG2 4.35Å; F194-V208 HydrophobicContact CZ-CG2 4.47Å; F194-Y236 HydrophobicContact CD1-CD1 4.47Å; F194-Y236 HydrophobicContact CD1-CE1 4.04Å; F194-Y236 HydrophobicContact CE1-CE1 4.46Å; F194-L278 HydrophobicContact CE2-CD2 3.81Å; F194-L278 HydrophobicContact CZ-CD2 4.23Å; F194-Y281 HydrophobicContact CD2-CD1 4.42Å; F194-Y281 AromaticContact CD2-CE1 3.66Å; F194-Y281 HydrophobicContact CD2-CE1 3.66Å; F194-Y281 HydrophobicContact CE2-CE1 4.27Å; F194-Y281 HydrophobicContact CG-CE1 4.45Å |
| 195 | N | 91 | Very high | 89.4 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 41.9 | 179.1 | -70 | -61.6 | 0 | 0 | 0 | 113.5 | Y163 D191 L192 S197 K198 Y236 | Y163-N195 PolarHBondContact O-ND2 2.79Å; D191-N195 PolarHBondContact O-N 2.91Å; L192-N195 PolarHBondContact O-N 3.29Å; N195-S197 VanDerWaalsContact C-N 3.26Å; N195-S197 PolarHBondContact O-N 2.97Å; N195-S197 VanDerWaalsContact O-N 3.1Å; N195-K198 PolarHBondContact O-N 2.85Å; N195-Y236 PolarHBondContact ND2-OH 3.49Å; N195-Y236 VanDerWaalsContact ND2-OH 3.13Å |
| 196 | R | 82.2 | Confident | 89.3 | Confident | 75 Ų | 75 | 49.2 Ų | 49.2 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -40.1 | -170.3 | 176.2 | 171.2 | -169.8 | 176.5 | 0.8 | 114.3 | D191 F194 K198 F200 | D191-R196 HydrophobicContact CB-CB 4.11Å; D191-R196 VanDerWaalsContact CG-CD 3.5Å; D191-R196 PolarHBondContact O-N 3.4Å; D191-R196 WeakPolarHBondContact OD1-CD 3.39Å; D191-R196 IonicContact OD1-CZ 3.27Å; D191-R196 IonicContact OD1-NE 3.88Å; D191-R196 IonicContact OD1-NH1 3.76Å; D191-R196 PolarHBondContact OD1-NH1 3.27Å; D191-R196 IonicContact OD2-NH1 3.68Å; F194-R196 VanDerWaalsContact C-N 3.28Å; F194-R196 PolarHBondContact O-N 3.12Å; R196-K198 PolarHBondContact O-N 2.8Å; R196-F200 HydrophobicContact CG-CD2 3.99Å; R196-F200 HydrophobicContact CG-CE2 4.25Å |
| 197 | S | 72 | Confident | 89.4 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 70% | 0.699 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -6.3 | -173.4 | 66.1 | 0 | 0 | 0 | 0 | 115.2 | N195 | N195-S197 VanDerWaalsContact C-N 3.26Å; N195-S197 PolarHBondContact O-N 2.97Å; N195-S197 VanDerWaalsContact O-N 3.1Å |
| 198 | K | 69.6 | Low | 89.5 | Confident | 111 Ų | 111 | 48 Ų | 48 | 48% | 0.483 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -64.5 | -169.9 | -50 | -57 | 177.7 | -164.2 | 0 | 113.1 | V166 N195 R196 | V166-K198 HydrophobicContact CB-CD 4.41Å; V166-K198 HydrophobicContact CG2-CB 4.09Å; V166-K198 HydrophobicContact CG2-CD 3.95Å; V166-K198 HydrophobicContact CG2-CG 3.82Å; N195-K198 PolarHBondContact O-N 2.85Å; R196-K198 PolarHBondContact O-N 2.8Å |
| 199 | K | 73 | Confident | 89.7 | Confident | 183 Ų | 183 | 42.7 Ų | 42.7 | 80% | 0.796 | 21% | 0.209 | S | C | * | . | trans | -145.6 | 119.1 | 173.1 | -73.9 | -172 | 178.6 | -177.2 | 0 | 106.7 | P201 | K199-P201 WeakPolarHBondContact O-CD 3.45Å; K199-P201 VanDerWaalsContact O-N 3.12Å | ||
| 200 | F | 77.4 | Confident | 89.7 | Confident | 41 Ų | 41 | 46.6 Ų | 46.6 | 18% | 0.18 | 23% | 0.229 | C | C | . | . | trans | -64.7 | 112.9 | 178.5 | -161.1 | -92.2 | 0 | 0 | 0 | 109.5 | R196 L202 I205 Y281 A285 | R196-F200 HydrophobicContact CG-CD2 3.99Å; R196-F200 HydrophobicContact CG-CE2 4.25Å; F200-L202 HydrophobicContact CD1-CB 3.95Å; F200-L202 HydrophobicContact CD1-CD1 4.11Å; F200-L202 HydrophobicContact CE1-CB 4.4Å; F200-L202 HydrophobicContact CE1-CD1 3.82Å; F200-L202 PolarHBondContact O-N 2.92Å; F200-I205 HydrophobicContact CD1-CD1 3.89Å; F200-I205 HydrophobicContact CE1-CD1 3.13Å; F200-I205 HydrophobicContact CE1-CG1 4.49Å; F200-I205 HydrophobicContact CE2-CD1 4Å; F200-I205 HydrophobicContact CZ-CD1 3.18Å; F200-Y281 HydrophobicContact CE2-CD1 4.5Å; F200-Y281 AromaticContact CE2-CE1 3.68Å; F200-Y281 HydrophobicContact CE2-CE1 3.68Å; F200-Y281 HydrophobicContact CE2-CE2 4.21Å; F200-Y281 AromaticContact CE2-CZ 3.5Å; F200-Y281 VanDerWaalsContact CE2-CZ 3.5Å; F200-Y281 WeakPolarHBondContact CE2-OH 3.49Å; F200-Y281 AromaticContact CZ-CD1 3.96Å; F200-Y281 HydrophobicContact CZ-CD1 3.96Å; F200-Y281 AromaticContact CZ-CE1 3.43Å; F200-Y281 HydrophobicContact CZ-CE1 3.43Å; F200-Y281 VanDerWaalsContact CZ-CE1 3.43Å; F200-Y281 AromaticContact CZ-CZ 3.78Å; F200-A285 HydrophobicContact CD1-CB 3.54Å; F200-A285 HydrophobicContact CD2-CB 3.6Å; F200-A285 HydrophobicContact CE1-CB 3.08Å; F200-A285 HydrophobicContact CE2-CB 3.16Å; F200-A285 HydrophobicContact CG-CB 3.78Å; F200-A285 HydrophobicContact CZ-CB 2.88Å | ||
| 201 | P | 86.9 | Confident | 89.8 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | trans | -82.9 | 65.9 | -174.8 | 36.5 | -35.5 | 0 | 0 | 0 | 109.3 | F194 K199 S203 V204 I205 | F194-P201 HydrophobicContact CB-CG 3.86Å; F194-P201 HydrophobicContact CD1-CG 4.37Å; F194-P201 WeakPolarHBondContact O-CD 3.41Å; F194-P201 VanDerWaalsContact O-CG 3.23Å; F194-P201 WeakPolarHBondContact O-CG 3.07Å; K199-P201 WeakPolarHBondContact O-CD 3.45Å; K199-P201 VanDerWaalsContact O-N 3.12Å; P201-S203 PolarHBondContact O-N 3.3Å; P201-V204 HydrophobicContact CB-CB 3.98Å; P201-V204 HydrophobicContact CB-CG2 3.93Å; P201-V204 HydrophobicContact CG-CB 4.45Å; P201-V204 WeakPolarHBondContact O-CB 3.26Å; P201-V204 PolarHBondContact O-N 3.18Å; P201-I205 HydrophobicContact CG-CD1 4.1Å; P201-I205 HydrophobicContact CG-CG1 4.34Å; P201-I205 WeakPolarHBondContact O-CG1 3.27Å; P201-I205 PolarHBondContact O-N 2.65Å | ||
| 202 | L | 89.9 | Confident | 90 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.9 | -38.2 | -171.7 | -173.3 | 61.8 | 0 | 0 | 0 | 112.2 | F200 I205 K206 V282 Q286 | F200-L202 HydrophobicContact CD1-CB 3.95Å; F200-L202 HydrophobicContact CD1-CD1 4.11Å; F200-L202 HydrophobicContact CE1-CB 4.4Å; F200-L202 HydrophobicContact CE1-CD1 3.82Å; F200-L202 PolarHBondContact O-N 2.92Å; L202-I205 PolarHBondContact O-N 2.8Å; L202-K206 HydrophobicContact CD1-CD 4.47Å; L202-K206 HydrophobicContact CD1-CG 4.33Å; L202-K206 HydrophobicContact CG-CD 4.12Å; L202-K206 HydrophobicContact CG-CG 4.39Å; L202-K206 WeakPolarHBondContact O-CB 3.41Å; L202-K206 VanDerWaalsContact O-CG 3.28Å; L202-K206 WeakPolarHBondContact O-CG 3.43Å; L202-K206 PolarHBondContact O-N 3.36Å; L202-V282 HydrophobicContact CD1-CG1 4.01Å; L202-Q286 HydrophobicContact CD1-CG 3.84Å; L202-Q286 HydrophobicContact CD2-CG 3.88Å |
| 203 | S | 92.3 | Very high | 90.2 | Very high | 39 Ų | 39 | 50 Ų | 50 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 176.5 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | P201 R207 C241 G242 | P201-S203 PolarHBondContact O-N 3.3Å; S203-R207 WeakPolarHBondContact O-CB 3.42Å; S203-R207 PolarHBondContact O-N 3Å; S203-C241 PolarHBondContact OG-O 3.48Å; S203-G242 PolarHBondContact OG-O 3.38Å |
| 204 | V | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 175.9 | 172 | 0 | 0 | 0 | 0 | 110 | F194 P201 K206 R207 V208 Y236 C241 P245 V247 | F194-V204 HydrophobicContact CD1-CG1 4.2Å; F194-V204 HydrophobicContact CE1-CG1 4.06Å; P201-V204 HydrophobicContact CB-CB 3.98Å; P201-V204 HydrophobicContact CB-CG2 3.93Å; P201-V204 HydrophobicContact CG-CB 4.45Å; P201-V204 WeakPolarHBondContact O-CB 3.26Å; P201-V204 PolarHBondContact O-N 3.18Å; V204-K206 PolarHBondContact O-N 3.18Å; V204-R207 PolarHBondContact O-N 3.21Å; V204-V208 WeakPolarHBondContact O-CG2 3.26Å; V204-V208 PolarHBondContact O-N 3Å; V204-Y236 HydrophobicContact CG1-CD1 3.93Å; V204-Y236 HydrophobicContact CG1-CD2 4.07Å; V204-Y236 HydrophobicContact CG1-CG 3.62Å; V204-Y236 HydrophobicContact CG2-CD2 4.33Å; V204-C241 HydrophobicContact CG2-CB 4.08Å; V204-P245 HydrophobicContact CB-CB 4.46Å; V204-P245 HydrophobicContact CG2-CB 3.58Å; V204-P245 HydrophobicContact CG2-CG 4.37Å; V204-V247 HydrophobicContact CB-CG2 4.23Å; V204-V247 HydrophobicContact CG1-CG2 3.85Å; V204-V247 HydrophobicContact CG2-CG2 4.28Å |
| 205 | I | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -41.9 | -174 | -57.5 | 157.2 | 0 | 0 | 0 | 110.6 | F194 F200 P201 L202 R207 V208 V209 Y281 V282 | F194-I205 HydrophobicContact CB-CD1 4.08Å; F194-I205 HydrophobicContact CB-CG1 4.26Å; F194-I205 HydrophobicContact CD1-CD1 4.26Å; F194-I205 HydrophobicContact CD1-CG1 3.51Å; F194-I205 HydrophobicContact CD2-CD1 4.16Å; F194-I205 HydrophobicContact CD2-CG1 3.88Å; F194-I205 HydrophobicContact CE1-CB 4.5Å; F194-I205 HydrophobicContact CE1-CG1 3.65Å; F194-I205 HydrophobicContact CE2-CG1 4.01Å; F194-I205 HydrophobicContact CE2-CG2 4.34Å; F194-I205 HydrophobicContact CG-CD1 3.93Å; F194-I205 HydrophobicContact CG-CG1 3.62Å; F194-I205 HydrophobicContact CZ-CB 4.5Å; F194-I205 HydrophobicContact CZ-CG1 3.89Å; F194-I205 HydrophobicContact CZ-CG2 4.32Å; F200-I205 HydrophobicContact CD1-CD1 3.89Å; F200-I205 HydrophobicContact CE1-CD1 3.13Å; F200-I205 HydrophobicContact CE1-CG1 4.49Å; F200-I205 HydrophobicContact CE2-CD1 4Å; F200-I205 HydrophobicContact CZ-CD1 3.18Å; P201-I205 HydrophobicContact CG-CD1 4.1Å; P201-I205 HydrophobicContact CG-CG1 4.34Å; P201-I205 WeakPolarHBondContact O-CG1 3.27Å; P201-I205 PolarHBondContact O-N 2.65Å; L202-I205 PolarHBondContact O-N 2.8Å; I205-R207 VanDerWaalsContact C-N 3.32Å; I205-R207 PolarHBondContact O-N 3.47Å; I205-V208 WeakPolarHBondContact O-CB 3.47Å; I205-V208 PolarHBondContact O-N 2.97Å; I205-V209 WeakPolarHBondContact O-CG2 3.41Å; I205-V209 PolarHBondContact O-N 3.22Å; I205-Y281 HydrophobicContact CD1-CD1 4.35Å; I205-Y281 HydrophobicContact CD1-CE1 3.71Å; I205-Y281 HydrophobicContact CG1-CE1 4.49Å; I205-Y281 HydrophobicContact CG2-CD1 4.28Å; I205-V282 HydrophobicContact CB-CG2 4.21Å; I205-V282 HydrophobicContact CG2-CG2 3.3Å |
| 206 | K | 94.4 | Very high | 90.8 | Very high | 87 Ų | 87 | 53 Ų | 53 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.8 | -46.5 | 172.5 | -76 | 179.9 | 174.2 | -173.5 | 0 | 111.2 | L202 V204 V208 V209 D210 | L202-K206 HydrophobicContact CD1-CD 4.47Å; L202-K206 HydrophobicContact CD1-CG 4.33Å; L202-K206 HydrophobicContact CG-CD 4.12Å; L202-K206 HydrophobicContact CG-CG 4.39Å; L202-K206 WeakPolarHBondContact O-CB 3.41Å; L202-K206 VanDerWaalsContact O-CG 3.28Å; L202-K206 WeakPolarHBondContact O-CG 3.43Å; L202-K206 PolarHBondContact O-N 3.36Å; V204-K206 PolarHBondContact O-N 3.18Å; K206-V208 VanDerWaalsContact C-N 3.31Å; K206-V208 PolarHBondContact O-N 2.95Å; K206-V209 WeakPolarHBondContact O-CB 3.42Å; K206-V209 PolarHBondContact O-N 3.31Å; K206-V209 VanDerWaalsContact O-N 3.09Å; K206-D210 PolarHBondContact O-N 3.03Å |
| 207 | R | 96.2 | Very high | 91.6 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.2 | -35.3 | 177.8 | -172.2 | 61.2 | 67.4 | 110 | 15.8 | 113 | S203 V204 I205 R211 E244 P245 V247 | S203-R207 WeakPolarHBondContact O-CB 3.42Å; S203-R207 PolarHBondContact O-N 3Å; V204-R207 PolarHBondContact O-N 3.21Å; I205-R207 VanDerWaalsContact C-N 3.32Å; I205-R207 PolarHBondContact O-N 3.47Å; R207-R211 WeakPolarHBondContact O-CG 3Å; R207-R211 PolarHBondContact O-N 2.84Å; R207-E244 IonicContact NH2-OE2 3.84Å; R207-E244 PolarHBondContact NH2-OE2 3.47Å; R207-P245 HydrophobicContact CB-CG 4.45Å; R207-V247 HydrophobicContact CB-CB 4.29Å; R207-V247 HydrophobicContact CB-CG1 4.36Å; R207-V247 HydrophobicContact CB-CG2 4.25Å; R207-V247 HydrophobicContact CG-CB 3.89Å; R207-V247 HydrophobicContact CG-CG1 4.13Å; R207-V247 HydrophobicContact CG-CG2 4.31Å |
| 208 | V | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -46.9 | 172.2 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | F194 V204 I205 K206 R211 L212 I234 V247 V249 L278 | F194-V208 HydrophobicContact CE1-CG2 4.35Å; F194-V208 HydrophobicContact CZ-CG2 4.47Å; V204-V208 WeakPolarHBondContact O-CG2 3.26Å; V204-V208 PolarHBondContact O-N 3Å; I205-V208 WeakPolarHBondContact O-CB 3.47Å; I205-V208 PolarHBondContact O-N 2.97Å; K206-V208 VanDerWaalsContact C-N 3.31Å; K206-V208 PolarHBondContact O-N 2.95Å; V208-R211 PolarHBondContact O-N 2.68Å; V208-L212 HydrophobicContact CG1-CD1 3.87Å; V208-L212 HydrophobicContact CG1-CG 4.41Å; V208-L212 WeakPolarHBondContact O-CG 3.47Å; V208-L212 PolarHBondContact O-N 3.06Å; V208-I234 HydrophobicContact CB-CG2 4.47Å; V208-I234 HydrophobicContact CG1-CD1 4.24Å; V208-I234 HydrophobicContact CG1-CG1 4.44Å; V208-I234 HydrophobicContact CG1-CG2 3.82Å; V208-I234 HydrophobicContact CG2-CG2 3.71Å; V208-V247 HydrophobicContact CG2-CG1 3.54Å; V208-V249 HydrophobicContact CG1-CG2 4.18Å; V208-L278 HydrophobicContact CG1-CD1 4.21Å |
| 209 | V | 97.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 45 Ų | 45 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -50 | 177.7 | 168.7 | 0 | 0 | 0 | 0 | 111 | I205 K206 R211 L212 E213 L275 L278 Q279 V282 | I205-V209 WeakPolarHBondContact O-CG2 3.41Å; I205-V209 PolarHBondContact O-N 3.22Å; K206-V209 WeakPolarHBondContact O-CB 3.42Å; K206-V209 PolarHBondContact O-N 3.31Å; K206-V209 VanDerWaalsContact O-N 3.09Å; V209-R211 VanDerWaalsContact C-N 3.25Å; V209-R211 PolarHBondContact O-N 2.64Å; V209-L212 PolarHBondContact O-N 2.99Å; V209-L212 VanDerWaalsContact O-N 3.07Å; V209-E213 HydrophobicContact CG1-CG 4.33Å; V209-E213 WeakPolarHBondContact CG1-OE1 3.46Å; V209-E213 WeakPolarHBondContact O-CG 3.3Å; V209-E213 PolarHBondContact O-N 3.27Å; V209-L275 HydrophobicContact CG1-CD1 4.01Å; V209-L278 HydrophobicContact CG2-CB 3.95Å; V209-Q279 HydrophobicContact CG1-CG 4.1Å; V209-V282 HydrophobicContact CG2-CG2 4.25Å |
| 210 | D | 97.6 | Very high | 95.4 | Very high | 85 Ų | 85 | 40.6 Ų | 40.6 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.8 | -40.7 | 179.2 | -57.9 | -23.8 | 0 | 0 | 0 | 111.9 | K206 A214 | K206-D210 PolarHBondContact O-N 3.03Å; D210-A214 PolarHBondContact O-N 2.98Å |
| 211 | R | 98.3 | Very high | 96.3 | Very high | 96 Ų | 96 | 43.6 Ų | 43.6 | 36% | 0.362 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.5 | -38.4 | 179 | -68.7 | -75.7 | -176.1 | 136.7 | 2.4 | 112.3 | R207 V208 V209 L215 D248 V249 | R207-R211 WeakPolarHBondContact O-CG 3Å; R207-R211 PolarHBondContact O-N 2.84Å; V208-R211 PolarHBondContact O-N 2.68Å; V209-R211 VanDerWaalsContact C-N 3.25Å; V209-R211 PolarHBondContact O-N 2.64Å; R211-L215 PolarHBondContact O-N 3.29Å; R211-L215 VanDerWaalsContact O-N 3.13Å; R211-D248 IonicContact NH1-OD1 3.63Å; R211-V249 HydrophobicContact CB-CB 3.82Å; R211-V249 HydrophobicContact CB-CG1 4.49Å; R211-V249 HydrophobicContact CB-CG2 3.76Å; R211-V249 HydrophobicContact CG-CG2 4.38Å |
| 212 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.8 | -34.4 | 175.5 | -70 | 172.7 | 0 | 0 | 0 | 112.1 | V208 V209 L215 Q216 I232 V249 L271 L274 L275 L278 | V208-L212 HydrophobicContact CG1-CD1 3.87Å; V208-L212 HydrophobicContact CG1-CG 4.41Å; V208-L212 WeakPolarHBondContact O-CG 3.47Å; V208-L212 PolarHBondContact O-N 3.06Å; V209-L212 PolarHBondContact O-N 2.99Å; V209-L212 VanDerWaalsContact O-N 3.07Å; L212-L215 WeakPolarHBondContact O-CB 3.48Å; L212-L215 PolarHBondContact O-N 3.24Å; L212-Q216 WeakPolarHBondContact O-CB 2.99Å; L212-Q216 PolarHBondContact O-N 2.98Å; L212-I232 HydrophobicContact CD2-CD1 3.79Å; L212-I232 HydrophobicContact CD2-CG2 4.14Å; L212-V249 HydrophobicContact CD2-CG1 3.7Å; L212-V249 HydrophobicContact CG-CG1 4.24Å; L212-L271 HydrophobicContact CB-CD1 4.38Å; L212-L271 HydrophobicContact CD2-CD1 3.85Å; L212-L274 HydrophobicContact CD1-CD2 4.33Å; L212-L274 HydrophobicContact CD1-CG 4.49Å; L212-L275 HydrophobicContact CB-CD1 3.87Å; L212-L278 HydrophobicContact CD1-CD1 3.38Å |
| 213 | E | 98.5 | Very high | 97 | Very high | 67 Ų | 67 | 43.5 Ų | 43.5 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 173 | -77.5 | 172.9 | 176.7 | 0 | 0 | 111.1 | V209 L215 Q216 V217 L275 Q279 | V209-E213 HydrophobicContact CG1-CG 4.33Å; V209-E213 WeakPolarHBondContact CG1-OE1 3.46Å; V209-E213 WeakPolarHBondContact O-CG 3.3Å; V209-E213 PolarHBondContact O-N 3.27Å; E213-L215 VanDerWaalsContact C-N 3.25Å; E213-L215 PolarHBondContact O-N 2.86Å; E213-Q216 WeakPolarHBondContact O-CB 2.71Å; E213-Q216 PolarHBondContact O-N 3.3Å; E213-Q216 VanDerWaalsContact O-N 3.08Å; E213-V217 WeakPolarHBondContact O-CG2 3.31Å; E213-V217 PolarHBondContact O-N 2.86Å; E213-L275 HydrophobicContact CG-CD1 3.87Å; E213-L275 HydrophobicContact CG-CD2 3.68Å; E213-L275 HydrophobicContact CG-CG 4.37Å; E213-Q279 PolarHBondContact OE1-NE2 3.39Å |
| 214 | A | 98.4 | Very high | 97.2 | Very high | 43 Ų | 43 | 45 Ų | 45 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.7 | -40.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F83 D210 V217 W218 | F83-A214 HydrophobicContact CE2-CB 4.36Å; F83-A214 HydrophobicContact CZ-CB 4.38Å; F83-A214 WeakPolarHBondContact CZ-O 3.3Å; D210-A214 PolarHBondContact O-N 2.98Å; A214-V217 PolarHBondContact O-N 3.5Å; A214-W218 PolarHBondContact O-N 3.08Å; A214-W218 VanDerWaalsContact O-N 3.16Å |
| 215 | L | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 175 | -172.3 | 59.4 | 0 | 0 | 0 | 111.9 | F83 V87 R211 L212 E213 W218 F219 I232 M251 L271 | F83-L215 HydrophobicContact CE1-CD1 3.79Å; F83-L215 HydrophobicContact CZ-CD1 4.41Å; V87-L215 HydrophobicContact CG2-CD1 4.24Å; R211-L215 PolarHBondContact O-N 3.29Å; R211-L215 VanDerWaalsContact O-N 3.13Å; L212-L215 WeakPolarHBondContact O-CB 3.48Å; L212-L215 PolarHBondContact O-N 3.24Å; E213-L215 VanDerWaalsContact C-N 3.25Å; E213-L215 PolarHBondContact O-N 2.86Å; L215-W218 PolarHBondContact O-N 2.99Å; L215-F219 HydrophobicContact CD1-CD2 3.82Å; L215-F219 HydrophobicContact CD1-CE2 3.69Å; L215-F219 HydrophobicContact CD2-CE2 4.35Å; L215-F219 HydrophobicContact CG-CD2 3.81Å; L215-F219 HydrophobicContact CG-CE2 3.9Å; L215-F219 WeakPolarHBondContact O-CD2 3.49Å; L215-F219 PolarHBondContact O-N 3.07Å; L215-I232 HydrophobicContact CD2-CD1 3.64Å; L215-I232 HydrophobicContact CD2-CG1 4.24Å; L215-M251 HydrophobicContact CD1-CG 4.3Å; L215-M251 HydrophobicContact CD1-SD 3.67Å; L215-M251 HydrophobicContact CD2-CG 4.06Å; L215-M251 HydrophobicContact CD2-SD 4.38Å; L215-L271 HydrophobicContact CB-CD2 4.27Å; L215-L271 HydrophobicContact CD2-CD1 4.44Å; L215-L271 HydrophobicContact CD2-CD2 4.26Å; L215-L271 HydrophobicContact CG-CD2 3.94Å |
| 216 | Q | 98.4 | Very high | 97.6 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 19% | 0.192 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 177.3 | -167.6 | -170.9 | 40.1 | 0 | 0 | 111.3 | L212 E213 W218 F219 N220 L268 L271 T272 | L212-Q216 WeakPolarHBondContact O-CB 2.99Å; L212-Q216 PolarHBondContact O-N 2.98Å; E213-Q216 WeakPolarHBondContact O-CB 2.71Å; E213-Q216 PolarHBondContact O-N 3.3Å; E213-Q216 VanDerWaalsContact O-N 3.08Å; Q216-W218 VanDerWaalsContact C-N 3.32Å; Q216-W218 PolarHBondContact O-N 3.12Å; Q216-F219 PolarHBondContact O-N 3.09Å; Q216-N220 PolarHBondContact O-N 3.2Å; Q216-N220 PolarHBondContact O-ND2 2.88Å; Q216-L268 HydrophobicContact CG-CD1 3.99Å; Q216-L271 HydrophobicContact CB-CD2 3.93Å; Q216-L271 HydrophobicContact CB-CG 4.36Å; Q216-L271 HydrophobicContact CG-CD2 4.42Å; Q216-T272 PolarHBondContact NE2-OG1 2.99Å |
| 217 | V | 98.3 | Very high | 97.7 | Very high | 104 Ų | 104 | 44.2 Ų | 44.2 | 63% | 0.63 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -57.5 | -46.8 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | E213 A214 N220 D221 | E213-V217 WeakPolarHBondContact O-CG2 3.31Å; E213-V217 PolarHBondContact O-N 2.86Å; A214-V217 PolarHBondContact O-N 3.5Å; V217-N220 PolarHBondContact O-N 2.92Å; V217-D221 PolarHBondContact O-N 3.05Å |
| 218 | W | 98.1 | Very high | 97.8 | Very high | 16 Ų | 16 | 41.7 Ų | 41.7 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.9 | -176.7 | 86.5 | 0 | 0 | 0 | 112.8 | Y80 F83 L84 A214 L215 Q216 N220 D221 Q222 F225 F227 | Y80-W218 HydrophobicContact CD1-CZ2 4.49Å; Y80-W218 AromaticContact CD1-NE1 3.84Å; Y80-W218 PolarHBondContact O-NE1 3.08Å; F83-W218 VanDerWaalsContact CB-CD1 3.45Å; F83-W218 HydrophobicContact CB-CG 4.33Å; F83-W218 HydrophobicContact CD1-CB 3.64Å; F83-W218 AromaticContact CD1-CD1 3.25Å; F83-W218 AromaticContact CD1-CD2 3.79Å; F83-W218 HydrophobicContact CD1-CD2 3.79Å; F83-W218 AromaticContact CD1-CG 3.25Å; F83-W218 HydrophobicContact CD1-CG 3.25Å; F83-W218 AromaticContact CD1-NE1 3.71Å; F83-W218 HydrophobicContact CD2-CB 4.42Å; F83-W218 HydrophobicContact CE1-CB 3.46Å; F83-W218 VanDerWaalsContact CE1-CB 3.46Å; F83-W218 HydrophobicContact CE1-CD2 4.16Å; F83-W218 AromaticContact CE1-CG 3.59Å; F83-W218 HydrophobicContact CE1-CG 3.59Å; F83-W218 HydrophobicContact CE2-CB 4.28Å; F83-W218 HydrophobicContact CG-CB 4.13Å; F83-W218 AromaticContact CG-CD1 3.34Å; F83-W218 AromaticContact CG-CG 3.79Å; F83-W218 HydrophobicContact CG-CG 3.79Å; F83-W218 AromaticContact CG-NE1 3.93Å; F83-W218 HydrophobicContact CZ-CB 3.81Å; F83-W218 HydrophobicContact CZ-CG 4.35Å; L84-W218 HydrophobicContact CD1-CH2 4.1Å; L84-W218 HydrophobicContact CD1-CZ2 3.83Å; L84-W218 HydrophobicContact CD2-CH2 3.66Å; L84-W218 HydrophobicContact CD2-CZ2 3.79Å; L84-W218 HydrophobicContact CD2-CZ3 4.16Å; L84-W218 HydrophobicContact CG-CH2 3.98Å; L84-W218 HydrophobicContact CG-CZ2 3.6Å; A214-W218 PolarHBondContact O-N 3.08Å; A214-W218 VanDerWaalsContact O-N 3.16Å; L215-W218 PolarHBondContact O-N 2.99Å; Q216-W218 VanDerWaalsContact C-N 3.32Å; Q216-W218 PolarHBondContact O-N 3.12Å; W218-N220 VanDerWaalsContact C-N 3.28Å; W218-N220 PolarHBondContact O-N 3.43Å; W218-D221 PolarHBondContact O-N 3.16Å; W218-D221 VanDerWaalsContact O-N 3.16Å; W218-Q222 HydrophobicContact CD2-CB 4.22Å; W218-Q222 HydrophobicContact CD2-CG 4.07Å; W218-Q222 HydrophobicContact CE3-CB 4.39Å; W218-Q222 HydrophobicContact CE3-CG 3.74Å; W218-Q222 HydrophobicContact CH2-CB 4.04Å; W218-Q222 HydrophobicContact CH2-CG 3.56Å; W218-Q222 HydrophobicContact CZ2-CB 3.86Å; W218-Q222 HydrophobicContact CZ2-CG 3.91Å; W218-Q222 HydrophobicContact CZ3-CB 4.33Å; W218-Q222 HydrophobicContact CZ3-CG 3.49Å; W218-Q222 VanDerWaalsContact CZ3-CG 3.49Å; W218-Q222 WeakPolarHBondContact O-CB 3.49Å; W218-Q222 WeakPolarHBondContact O-CG 3.45Å; W218-Q222 PolarHBondContact O-N 2.75Å; W218-F225 HydrophobicContact CH2-CD2 4.47Å; W218-F227 AromaticContact CH2-CE2 3.82Å; W218-F227 HydrophobicContact CH2-CE2 3.82Å; W218-F227 HydrophobicContact CH2-CZ 4.15Å; W218-F227 AromaticContact CZ3-CE2 3.91Å; W218-F227 HydrophobicContact CZ3-CE2 3.91Å; W218-F227 HydrophobicContact CZ3-CZ 4.46Å |
| 219 | F | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.4 | -25.4 | 178.8 | -94.2 | -77.8 | 0 | 0 | 0 | 114.2 | L215 Q216 D221 F227 M251 D264 Y267 L268 L271 | L215-F219 HydrophobicContact CD1-CD2 3.82Å; L215-F219 HydrophobicContact CD1-CE2 3.69Å; L215-F219 HydrophobicContact CD2-CE2 4.35Å; L215-F219 HydrophobicContact CG-CD2 3.81Å; L215-F219 HydrophobicContact CG-CE2 3.9Å; L215-F219 WeakPolarHBondContact O-CD2 3.49Å; L215-F219 PolarHBondContact O-N 3.07Å; Q216-F219 PolarHBondContact O-N 3.09Å; F219-D221 VanDerWaalsContact C-N 3.33Å; F219-F227 AromaticContact CE1-CD2 3.67Å; F219-F227 HydrophobicContact CE1-CD2 3.67Å; F219-F227 HydrophobicContact CE1-CE2 4.13Å; F219-F227 AromaticContact CZ-CD2 3.71Å; F219-F227 HydrophobicContact CZ-CD2 3.71Å; F219-F227 HydrophobicContact CZ-CE2 4.05Å; F219-F227 HydrophobicContact CZ-CG 4.32Å; F219-M251 HydrophobicContact CE2-CE 3.81Å; F219-M251 HydrophobicContact CE2-SD 4.04Å; F219-M251 HydrophobicContact CZ-CE 3.57Å; F219-M251 HydrophobicContact CZ-SD 4.39Å; F219-D264 HydrophobicContact CD1-CB 4.15Å; F219-D264 HydrophobicContact CE1-CB 4.12Å; F219-Y267 AromaticContact CD1-CD1 3.93Å; F219-Y267 HydrophobicContact CD1-CD1 3.93Å; F219-Y267 HydrophobicContact CD1-CG 4.19Å; F219-Y267 AromaticContact CD2-CD1 3.85Å; F219-Y267 HydrophobicContact CD2-CD1 3.85Å; F219-Y267 AromaticContact CD2-CE1 3.91Å; F219-Y267 HydrophobicContact CD2-CE1 3.91Å; F219-Y267 AromaticContact CE1-CD1 3.51Å; F219-Y267 HydrophobicContact CE1-CD1 3.51Å; F219-Y267 HydrophobicContact CE1-CD2 4.11Å; F219-Y267 HydrophobicContact CE1-CE1 4.14Å; F219-Y267 AromaticContact CE1-CG 3.49Å; F219-Y267 HydrophobicContact CE1-CG 3.49Å; F219-Y267 VanDerWaalsContact CE1-CG 3.49Å; F219-Y267 AromaticContact CE2-CD1 3.41Å; F219-Y267 HydrophobicContact CE2-CD1 3.41Å; F219-Y267 VanDerWaalsContact CE2-CD1 3.41Å; F219-Y267 AromaticContact CE2-CE1 3.22Å; F219-Y267 HydrophobicContact CE2-CE1 3.22Å; F219-Y267 HydrophobicContact CE2-CE2 4.45Å; F219-Y267 HydrophobicContact CE2-CG 4.15Å; F219-Y267 AromaticContact CE2-CZ 3.79Å; F219-Y267 HydrophobicContact CG-CD1 4.09Å; F219-Y267 AromaticContact CZ-CD1 3.22Å; F219-Y267 HydrophobicContact CZ-CD1 3.22Å; F219-Y267 AromaticContact CZ-CD2 3.81Å; F219-Y267 HydrophobicContact CZ-CD2 3.81Å; F219-Y267 AromaticContact CZ-CE1 3.36Å; F219-Y267 HydrophobicContact CZ-CE1 3.36Å; F219-Y267 AromaticContact CZ-CE2 3.88Å; F219-Y267 HydrophobicContact CZ-CE2 3.88Å; F219-Y267 AromaticContact CZ-CG 3.46Å; F219-Y267 HydrophobicContact CZ-CG 3.46Å; F219-Y267 VanDerWaalsContact CZ-CG 3.46Å; F219-Y267 AromaticContact CZ-CZ 3.68Å; F219-L268 HydrophobicContact CB-CD1 4.11Å; F219-L271 HydrophobicContact CD2-CD2 4Å |
| 220 | N | 97.9 | Very high | 97.6 | Very high | 90 Ų | 90 | 41.7 Ų | 41.7 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -72.8 | -26.7 | 173.4 | -80 | -59.9 | 0 | 0 | 0 | 112.8 | Q216 V217 W218 L268 | Q216-N220 PolarHBondContact O-N 3.2Å; Q216-N220 PolarHBondContact O-ND2 2.88Å; V217-N220 PolarHBondContact O-N 2.92Å; W218-N220 VanDerWaalsContact C-N 3.28Å; W218-N220 PolarHBondContact O-N 3.43Å; N220-L268 WeakPolarHBondContact OD1-CD2 3.13Å |
| 221 | D | 96.8 | Very high | 97.6 | Very high | 104 Ų | 104 | 37.6 Ų | 37.6 | 56% | 0.556 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -97 | -37.5 | -176.2 | -172.7 | 72.5 | 0 | 0 | 0 | 112.8 | Y80 V217 W218 F219 | Y80-D221 WeakPolarHBondContact CE1-OD2 3.33Å; Y80-D221 PolarHBondContact OH-OD2 2.85Å; V217-D221 PolarHBondContact O-N 3.05Å; W218-D221 PolarHBondContact O-N 3.16Å; W218-D221 VanDerWaalsContact O-N 3.16Å; F219-D221 VanDerWaalsContact C-N 3.33Å |
| 222 | Q | 96.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -74.7 | 139.7 | -175.3 | 80.8 | 87.8 | 22.1 | 0 | 0 | 112.8 | Y80 W218 F225 T263 | Y80-Q222 HydrophobicContact CD1-CB 3.52Å; Y80-Q222 HydrophobicContact CE1-CB 3.69Å; W218-Q222 HydrophobicContact CD2-CB 4.22Å; W218-Q222 HydrophobicContact CD2-CG 4.07Å; W218-Q222 HydrophobicContact CE3-CB 4.39Å; W218-Q222 HydrophobicContact CE3-CG 3.74Å; W218-Q222 HydrophobicContact CH2-CB 4.04Å; W218-Q222 HydrophobicContact CH2-CG 3.56Å; W218-Q222 HydrophobicContact CZ2-CB 3.86Å; W218-Q222 HydrophobicContact CZ2-CG 3.91Å; W218-Q222 HydrophobicContact CZ3-CB 4.33Å; W218-Q222 HydrophobicContact CZ3-CG 3.49Å; W218-Q222 VanDerWaalsContact CZ3-CG 3.49Å; W218-Q222 WeakPolarHBondContact O-CB 3.49Å; W218-Q222 WeakPolarHBondContact O-CG 3.45Å; W218-Q222 PolarHBondContact O-N 2.75Å; Q222-F225 PolarHBondContact NE2-O 3.37Å; Q222-F225 PolarHBondContact OE1-O 2.82Å; Q222-T263 WeakPolarHBondContact O-CA 3.46Å | ||
| 223 | D | 96.3 | Very high | 97.6 | Very high | 51 Ų | 51 | 34 Ų | 34 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | trans | -126.7 | 12.5 | 177.1 | 61.3 | -27.8 | 0 | 0 | 0 | 112 | G260 D261 S262 | D223-G260 CarbonylContact O-C 3.59Å; D223-G260 WeakPolarHBondContact O-CA 3.5Å; D223-G260 VanDerWaalsContact O-O 3.08Å; D223-D261 PolarHBondContact O-N 2.95Å; D223-S262 WeakPolarHBondContact CA-O 3.46Å; D223-S262 PolarHBondContact O-N 3.47Å | ||
| 224 | K | 96.1 | Very high | 97.6 | Very high | 70 Ų | 70 | 30.9 Ų | 30.9 | 30% | 0.304 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -102.6 | -24.7 | -160.4 | -60.7 | -77 | -170 | -79.3 | 0 | 112.6 | M77 Y80 G260 | M77-K224 HydrophobicContact CE-CB 3.21Å; M77-K224 HydrophobicContact CE-CD 3.55Å; M77-K224 HydrophobicContact CE-CG 3.06Å; Y80-K224 HydrophobicContact CD2-CG 4.38Å; K224-G260 PolarHBondContact O-N 3.21Å |
| 225 | F | 97.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 136.3 | -179.6 | -58.3 | -76.4 | 0 | 0 | 0 | 110.7 | F62 I65 M77 I81 L84 W218 Q222 F227 V257 Y258 | F62-F225 HydrophobicContact CD2-CD1 4.31Å; F62-F225 HydrophobicContact CD2-CE1 4.27Å; F62-F225 HydrophobicContact CE2-CD1 4.05Å; F62-F225 HydrophobicContact CE2-CE1 4.13Å; F62-F225 HydrophobicContact CE2-CG 4.37Å; I65-F225 HydrophobicContact CG2-CE1 4.45Å; I65-F225 HydrophobicContact CG2-CZ 4.19Å; M77-F225 HydrophobicContact CE-CE2 4.07Å; M77-F225 HydrophobicContact SD-CE2 3.76Å; M77-F225 HydrophobicContact SD-CZ 4.07Å; I81-F225 HydrophobicContact CD1-CE2 4.1Å; I81-F225 HydrophobicContact CD1-CZ 4.07Å; L84-F225 HydrophobicContact CD1-CD2 4.05Å; L84-F225 HydrophobicContact CD1-CE2 3.85Å; W218-F225 HydrophobicContact CH2-CD2 4.47Å; Q222-F225 PolarHBondContact NE2-O 3.37Å; Q222-F225 PolarHBondContact OE1-O 2.82Å; F225-F227 HydrophobicContact CB-CD2 4.1Å; F225-F227 HydrophobicContact CB-CE2 3.38Å; F225-F227 HydrophobicContact CB-CZ 3.67Å; F225-F227 HydrophobicContact CG-CE2 4.35Å; F225-F227 HydrophobicContact CG-CZ 4.23Å; F225-V257 HydrophobicContact CB-CG1 4.27Å; F225-V257 HydrophobicContact CD1-CG1 4.07Å; F225-Y258 WeakPolarHBondContact CA-O 3.29Å |
| 226 | W | 98.2 | Very high | 97.6 | Very high | 53 Ų | 53 | 28.8 Ų | 28.8 | 20% | 0.201 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.7 | 164.9 | -60.3 | -30.2 | 0 | 0 | 0 | 110.3 | Y228 V257 Y258 D261 S262 D264 | W226-Y228 HydrophobicContact CB-CD2 4.16Å; W226-Y228 HydrophobicContact CB-CE2 3.62Å; W226-Y228 HydrophobicContact CG-CE2 4.41Å; W226-V257 CarbonylContact O-C 3.44Å; W226-V257 VanDerWaalsContact O-CA 3.28Å; W226-V257 WeakPolarHBondContact O-CA 3.22Å; W226-Y258 PolarHBondContact N-O 3.15Å; W226-Y258 PolarHBondContact O-N 3.23Å; W226-D261 WeakPolarHBondContact CH2-OD1 3.33Å; W226-D261 WeakPolarHBondContact CZ2-OD1 3.29Å; W226-S262 WeakPolarHBondContact CZ2-OG 3.41Å; W226-S262 PolarHBondContact NE1-O 2.79Å; W226-D264 WeakPolarHBondContact CA-OD2 3.35Å |
| 227 | F | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 98.3 | -174.8 | -64.9 | -92.3 | 0 | 0 | 0 | 109.6 | F62 L84 W218 F219 F225 M251 F254 V257 D264 Y267 | F62-F227 HydrophobicContact CE1-CE1 4.32Å; F62-F227 AromaticContact CE2-CE1 3.9Å; F62-F227 HydrophobicContact CE2-CE1 3.9Å; F62-F227 HydrophobicContact CE2-CZ 4.04Å; F62-F227 AromaticContact CZ-CE1 3.6Å; F62-F227 HydrophobicContact CZ-CE1 3.6Å; F62-F227 AromaticContact CZ-CZ 3.93Å; F62-F227 HydrophobicContact CZ-CZ 3.93Å; L84-F227 HydrophobicContact CD2-CZ 4.2Å; W218-F227 AromaticContact CH2-CE2 3.82Å; W218-F227 HydrophobicContact CH2-CE2 3.82Å; W218-F227 HydrophobicContact CH2-CZ 4.15Å; W218-F227 AromaticContact CZ3-CE2 3.91Å; W218-F227 HydrophobicContact CZ3-CE2 3.91Å; W218-F227 HydrophobicContact CZ3-CZ 4.46Å; F219-F227 AromaticContact CE1-CD2 3.67Å; F219-F227 HydrophobicContact CE1-CD2 3.67Å; F219-F227 HydrophobicContact CE1-CE2 4.13Å; F219-F227 AromaticContact CZ-CD2 3.71Å; F219-F227 HydrophobicContact CZ-CD2 3.71Å; F219-F227 HydrophobicContact CZ-CE2 4.05Å; F219-F227 HydrophobicContact CZ-CG 4.32Å; F225-F227 HydrophobicContact CB-CD2 4.1Å; F225-F227 HydrophobicContact CB-CE2 3.38Å; F225-F227 HydrophobicContact CB-CZ 3.67Å; F225-F227 HydrophobicContact CG-CE2 4.35Å; F225-F227 HydrophobicContact CG-CZ 4.23Å; F227-M251 HydrophobicContact CD1-CE 3.72Å; F227-M251 HydrophobicContact CD2-CE 4.22Å; F227-M251 HydrophobicContact CE1-CE 3.72Å; F227-M251 HydrophobicContact CE2-CE 4.19Å; F227-M251 HydrophobicContact CG-CE 3.99Å; F227-M251 HydrophobicContact CZ-CE 3.96Å; F227-F254 AromaticContact CD1-CD1 3.96Å; F227-F254 HydrophobicContact CD1-CD1 3.96Å; F227-F254 HydrophobicContact CD1-CE1 4.16Å; F227-F254 AromaticContact CE1-CD1 3.94Å; F227-F254 HydrophobicContact CE1-CD1 3.94Å; F227-F254 AromaticContact CE1-CE1 3.99Å; F227-F254 HydrophobicContact CE1-CE1 3.99Å; F227-V257 HydrophobicContact CD1-CG1 4.34Å; F227-V257 HydrophobicContact CD1-CG2 3.46Å; F227-V257 VanDerWaalsContact CD1-CG2 3.46Å; F227-V257 HydrophobicContact CE1-CG1 4.22Å; F227-V257 HydrophobicContact CE1-CG2 3.82Å; F227-V257 HydrophobicContact CG-CG2 4.31Å; F227-D264 PolarHBondContact N-OD2 3.34Å; F227-Y267 HydrophobicContact CB-CD2 3.55Å; F227-Y267 HydrophobicContact CB-CE2 3.9Å; F227-Y267 HydrophobicContact CB-CG 4.5Å; F227-Y267 HydrophobicContact CG-CD2 4.46Å |
| 228 | Y | 97.5 | Very high | 97.2 | Very high | 23 Ų | 23 | 22.6 Ų | 22.6 | 9% | 0.09 | 11% | 0.112 | C | C | . | . | trans | -96.5 | 141.2 | 174.4 | -69.8 | -87.3 | 0 | 0 | 0 | 110.4 | Q129 W131 P133 W226 S230 H256 Y258 N266 | Q129-Y228 HydrophobicContact CB-CD1 4.29Å; Q129-Y228 HydrophobicContact CB-CE1 4.06Å; Q129-Y228 HydrophobicContact CG-CD1 3.73Å; Q129-Y228 HydrophobicContact CG-CE1 3.57Å; Q129-Y228 VanDerWaalsContact NE2-CE1 3.29Å; W131-Y228 WeakPolarHBondContact O-CD1 3.14Å; P133-Y228 HydrophobicContact CG-CD2 4.21Å; P133-Y228 HydrophobicContact CG-CE2 3.53Å; W226-Y228 HydrophobicContact CB-CD2 4.16Å; W226-Y228 HydrophobicContact CB-CE2 3.62Å; W226-Y228 HydrophobicContact CG-CE2 4.41Å; Y228-S230 PolarHBondContact O-N 3.48Å; Y228-H256 PolarHBondContact N-O 2.7Å; Y228-H256 VanDerWaalsContact O-CB 3.27Å; Y228-H256 WeakPolarHBondContact O-CB 3.41Å; Y228-Y258 AromaticContact CD2-CD2 3.7Å; Y228-Y258 HydrophobicContact CD2-CD2 3.7Å; Y228-Y258 AromaticContact CD2-CE2 3.9Å; Y228-Y258 HydrophobicContact CD2-CE2 3.9Å; Y228-Y258 HydrophobicContact CE2-CD2 4.26Å; Y228-N266 HydrophobicContact CE1-CB 4.26Å | ||
| 229 | S | 94.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 58.6 | 8.7 | 171.7 | -113.6 | 0 | 0 | 0 | 0 | 115.9 | K125 T130 | K125-S229 PolarHBondContact NZ-O 3.32Å; K125-S229 PolarHBondContact NZ-OG 3.07Å; T130-S229 PolarHBondContact O-OG 2.91Å |
| 230 | S | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -74.3 | 165.5 | 170.6 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | K125 I126 Y228 I252 D253 Y267 | K125-S230 WeakPolarHBondContact CA-O 3.05Å; I126-S230 PolarHBondContact N-O 3.01Å; Y228-S230 PolarHBondContact O-N 3.48Å; S230-I252 WeakPolarHBondContact CB-O 3.4Å; S230-D253 WeakPolarHBondContact CA-O 3.33Å; S230-D253 WeakPolarHBondContact CB-O 3.33Å; S230-Y267 VanDerWaalsContact OG-CE2 3.31Å; S230-Y267 WeakPolarHBondContact OG-CE2 3.28Å | ||
| 231 | S | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 159.5 | 179.5 | -73.3 | 0 | 0 | 0 | 0 | 112 | D123 V124 K125 M251 I252 | D123-S231 WeakPolarHBondContact OD1-CB 3.47Å; D123-S231 PolarHBondContact OD1-OG 2.83Å; V124-S231 CarbonylContact O-C 3.32Å; V124-S231 WeakPolarHBondContact O-CA 3.37Å; V124-S231 WeakPolarHBondContact O-CB 3.42Å; K125-S231 WeakPolarHBondContact CA-OG 3.45Å; K125-S231 PolarHBondContact N-OG 2.83Å; S231-M251 CarbonylContact O-C 3.58Å; S231-M251 WeakPolarHBondContact O-CA 3.47Å; S231-I252 PolarHBondContact N-O 3.42Å; S231-I252 PolarHBondContact O-N 2.87Å |
| 232 | I | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124 | 159.6 | -62 | 174.4 | 0 | 0 | 0 | 107.3 | V124 I126 L212 L215 I234 V249 K250 Y267 L271 | V124-I232 PolarHBondContact N-O 2.85Å; V124-I232 PolarHBondContact O-N 3.25Å; I126-I232 HydrophobicContact CD1-CD1 3.97Å; I126-I232 HydrophobicContact CD1-CG1 4.29Å; I126-I232 HydrophobicContact CG1-CB 4.44Å; I126-I232 HydrophobicContact CG1-CD1 3.75Å; I126-I232 HydrophobicContact CG1-CG1 3.77Å; L212-I232 HydrophobicContact CD2-CD1 3.79Å; L212-I232 HydrophobicContact CD2-CG2 4.14Å; L215-I232 HydrophobicContact CD2-CD1 3.64Å; L215-I232 HydrophobicContact CD2-CG1 4.24Å; I232-I234 HydrophobicContact CG2-CG1 3.98Å; I232-V249 HydrophobicContact CG2-CG1 3.42Å; I232-V249 VanDerWaalsContact CG2-CG1 3.42Å; I232-K250 CarbonylContact C-O 3.52Å; I232-K250 WeakPolarHBondContact CA-O 3.48Å; I232-Y267 HydrophobicContact CD1-CE1 4.29Å; I232-Y267 WeakPolarHBondContact CG1-OH 3.37Å; I232-L271 HydrophobicContact CD1-CD1 3.87Å |
| 233 | L | 98.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 112.9 | 169.3 | -163.9 | 74.5 | 0 | 0 | 0 | 108.7 | I112 I121 M122 D123 V235 V249 K250 I252 | I112-L233 HydrophobicContact CD1-CD2 3.64Å; I121-L233 HydrophobicContact CG2-CD1 3.57Å; I121-L233 HydrophobicContact CG2-CD2 4.41Å; I121-L233 HydrophobicContact CG2-CG 4.06Å; M122-L233 WeakPolarHBondContact O-CA 3.03Å; D123-L233 HydrophobicContact CB-CD1 4.2Å; L233-V235 HydrophobicContact CD2-CG1 3.97Å; L233-V235 HydrophobicContact CG-CG1 3.91Å; L233-V249 WeakPolarHBondContact O-CA 3.38Å; L233-K250 PolarHBondContact N-O 3.44Å; L233-K250 PolarHBondContact O-N 2.87Å; L233-I252 HydrophobicContact CB-CD1 3.98Å; L233-I252 HydrophobicContact CB-CG1 4.31Å; L233-I252 HydrophobicContact CB-CG2 4.32Å; L233-I252 HydrophobicContact CD1-CD1 4.09Å; L233-I252 HydrophobicContact CG-CD1 4.48Å |
| 234 | I | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125 | 174.7 | -60.3 | 165.8 | 0 | 0 | 0 | 107.7 | I121 M122 V124 F193 V208 I232 V249 | I121-I234 CarbonylContact C-O 3.53Å; I121-I234 WeakPolarHBondContact CA-O 3.41Å; M122-I234 HydrophobicContact CE-CD1 3.75Å; M122-I234 PolarHBondContact N-O 2.87Å; M122-I234 PolarHBondContact O-N 2.9Å; V124-I234 HydrophobicContact CG2-CD1 4.31Å; F193-I234 HydrophobicContact CE1-CB 4.43Å; F193-I234 HydrophobicContact CE1-CG2 3.73Å; F193-I234 HydrophobicContact CZ-CB 4.36Å; F193-I234 HydrophobicContact CZ-CG2 3.94Å; V208-I234 HydrophobicContact CB-CG2 4.47Å; V208-I234 HydrophobicContact CG1-CD1 4.24Å; V208-I234 HydrophobicContact CG1-CG1 4.44Å; V208-I234 HydrophobicContact CG1-CG2 3.82Å; V208-I234 HydrophobicContact CG2-CG2 3.71Å; I232-I234 HydrophobicContact CG2-CG1 3.98Å; I234-V249 HydrophobicContact CG1-CG2 4.43Å |
| 235 | V | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.2 | -177.9 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | I112 L113 Y116 C120 I121 L233 V247 D248 | I112-V235 HydrophobicContact CG2-CG2 3.96Å; L113-V235 HydrophobicContact CD2-CB 4.05Å; L113-V235 HydrophobicContact CD2-CG1 3.73Å; L113-V235 HydrophobicContact CD2-CG2 4.4Å; Y116-V235 HydrophobicContact CE1-CB 4.37Å; Y116-V235 HydrophobicContact CE1-CG2 4.08Å; Y116-V235 WeakPolarHBondContact OH-CG2 3.39Å; C120-V235 CarbonylContact O-C 3.5Å; C120-V235 VanDerWaalsContact O-CA 3.26Å; C120-V235 WeakPolarHBondContact O-CA 3.26Å; I121-V235 HydrophobicContact CB-CG1 4.23Å; I121-V235 HydrophobicContact CG1-CG1 4.14Å; I121-V235 HydrophobicContact CG2-CG1 3.87Å; L233-V235 HydrophobicContact CD2-CG1 3.97Å; L233-V235 HydrophobicContact CG-CG1 3.91Å; V235-V247 VanDerWaalsContact O-CA 3.32Å; V235-V247 WeakPolarHBondContact O-CA 3.4Å; V235-D248 HydrophobicContact CG2-CB 3.59Å; V235-D248 WeakPolarHBondContact CG2-O 3.5Å; V235-D248 PolarHBondContact N-O 3.26Å; V235-D248 PolarHBondContact O-N 3.29Å |
| 236 | Y | 97.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 157.3 | 165.9 | 73.5 | -87.5 | 0 | 0 | 0 | 111.4 | P119 C120 F193 F194 N195 V204 A238 K246 | P119-Y236 WeakPolarHBondContact CA-O 3.2Å; C120-Y236 HydrophobicContact CB-CD1 3.64Å; C120-Y236 HydrophobicContact CB-CD2 4.2Å; C120-Y236 HydrophobicContact CB-CE1 3.22Å; C120-Y236 HydrophobicContact CB-CE2 3.83Å; C120-Y236 HydrophobicContact CB-CG 4.11Å; C120-Y236 PolarHBondContact N-O 3.37Å; C120-Y236 PolarHBondContact O-N 3.14Å; C120-Y236 PolarHBondContact SG-OH 2.96Å; C120-Y236 VanDerWaalsContact SG-OH 3.39Å; F193-Y236 HydrophobicContact CD1-CE1 4.31Å; F193-Y236 AromaticContact CE1-CD1 3.99Å; F193-Y236 HydrophobicContact CE1-CD1 3.99Å; F193-Y236 AromaticContact CE1-CE1 3.91Å; F193-Y236 HydrophobicContact CE1-CE1 3.91Å; F193-Y236 HydrophobicContact CE2-CD1 4.43Å; F193-Y236 HydrophobicContact CE2-CE1 4.1Å; F193-Y236 AromaticContact CZ-CD1 3.78Å; F193-Y236 HydrophobicContact CZ-CD1 3.78Å; F193-Y236 AromaticContact CZ-CE1 3.8Å; F193-Y236 HydrophobicContact CZ-CE1 3.8Å; F193-Y236 VanDerWaalsContact O-CE1 3.29Å; F193-Y236 WeakPolarHBondContact O-CE1 3.16Å; F193-Y236 PolarHBondContact O-OH 2.81Å; F194-Y236 HydrophobicContact CD1-CD1 4.47Å; F194-Y236 HydrophobicContact CD1-CE1 4.04Å; F194-Y236 HydrophobicContact CE1-CE1 4.46Å; N195-Y236 PolarHBondContact ND2-OH 3.49Å; N195-Y236 VanDerWaalsContact ND2-OH 3.13Å; V204-Y236 HydrophobicContact CG1-CD1 3.93Å; V204-Y236 HydrophobicContact CG1-CD2 4.07Å; V204-Y236 HydrophobicContact CG1-CG 3.62Å; V204-Y236 HydrophobicContact CG2-CD2 4.33Å; Y236-A238 HydrophobicContact CE2-CB 4.35Å; Y236-K246 CarbonylContact C-O 3.38Å; Y236-K246 WeakPolarHBondContact CA-O 3.33Å |
| 237 | D | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114 | 174.5 | -167.6 | -16.1 | 0 | 0 | 0 | 110.2 | Y116 H117 Q118 K239 K240 C241 K246 | Y116-D237 HydrophobicContact CD1-CB 3.72Å; Y116-D237 HydrophobicContact CE1-CB 4.28Å; H117-D237 IonicContact CG-OD2 3.84Å; H117-D237 PolarHBondContact N-OD2 3.1Å; H117-D237 IonicContact ND1-OD2 2.85Å; H117-D237 PolarHBondContact ND1-OD2 3.07Å; Q118-D237 PolarHBondContact N-OD1 2.87Å; D237-K239 PolarHBondContact O-N 2.63Å; D237-K239 VanDerWaalsContact O-N 3.07Å; D237-K239 WeakPolarHBondContact OD1-CB 3.48Å; D237-K239 PolarHBondContact OD1-N 3.19Å; D237-K240 HydrophobicContact CB-CB 4.19Å; D237-K240 CarbonylContact O-C 3.59Å; D237-K240 PolarHBondContact O-N 3Å; D237-C241 PolarHBondContact O-SG 3.44Å; D237-K246 HydrophobicContact CB-CB 4.05Å; D237-K246 PolarHBondContact N-O 2.85Å |
| 238 | A | 93.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 12% | 0.116 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -18.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q118 Y163 Y236 | Q118-A238 HydrophobicContact CB-CB 4.09Å; Q118-A238 PolarHBondContact O-N 2.83Å; Y163-A238 HydrophobicContact CD1-CB 3.94Å; Y236-A238 HydrophobicContact CE2-CB 4.35Å |
| 239 | K | 90.9 | Very high | 93.6 | Very high | 137 Ų | 137 | 39.6 Ų | 39.6 | 60% | 0.596 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -10.5 | 172 | -76.7 | -172.5 | 174.4 | -179.1 | 0 | 114 | H117 Q118 D237 | H117-K239 HydrophobicContact CB-CB 4.46Å; H117-K239 HydrophobicContact CB-CD 3.81Å; Q118-K239 HydrophobicContact CB-CG 4.12Å; Q118-K239 HydrophobicContact CG-CD 3.87Å; Q118-K239 HydrophobicContact CG-CG 3.77Å; D237-K239 PolarHBondContact O-N 2.63Å; D237-K239 VanDerWaalsContact O-N 3.07Å; D237-K239 WeakPolarHBondContact OD1-CB 3.48Å; D237-K239 PolarHBondContact OD1-N 3.19Å |
| 240 | K | 87.8 | Confident | 93.8 | Very high | 101 Ų | 101 | 39.7 Ų | 39.7 | 44% | 0.439 | 20% | 0.196 | S | C | . | . | trans | -131.4 | 69.1 | -178.6 | -63.3 | -172.5 | 175 | -173.1 | 0 | 111.1 | D237 P245 K246 | D237-K240 HydrophobicContact CB-CB 4.19Å; D237-K240 CarbonylContact O-C 3.59Å; D237-K240 PolarHBondContact O-N 3Å; K240-P245 WeakPolarHBondContact O-CA 3.31Å; K240-K246 HydrophobicContact CB-CB 4.11Å; K240-K246 HydrophobicContact CD-CB 4.22Å; K240-K246 PolarHBondContact O-N 3.38Å; K240-K246 VanDerWaalsContact O-N 3.13Å | ||
| 241 | C | 79.7 | Confident | 93.9 | Very high | 48 Ų | 48 | 39.8 Ų | 39.8 | 32% | 0.324 | 20% | 0.196 | S | C | . | . | trans | -105.3 | 23.8 | 175.9 | -59.1 | 0 | 0 | 0 | 0 | 113.2 | S203 V204 D237 | S203-C241 PolarHBondContact OG-O 3.48Å; V204-C241 HydrophobicContact CG2-CB 4.08Å; D237-C241 PolarHBondContact O-SG 3.44Å | ||
| 242 | G | 82.9 | Confident | 93.9 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 46% | 0.464 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -76.3 | -151 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S203 | S203-G242 PolarHBondContact OG-O 3.38Š|
| 243 | Y | 80.4 | Confident | 93.8 | Very high | 210 Ų | 210 | 42.4 Ų | 42.4 | 82% | 0.824 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -63.2 | -41.5 | 177.7 | -176.3 | -99.3 | 0 | 0 | 0 | 112.5 | P245 | Y243-P245 VanDerWaalsContact C-CD 3.48Å; Y243-P245 WeakPolarHBondContact O-CD 3.31Å |
| 244 | E | 89.2 | Confident | 93.7 | Very high | 124 Ų | 124 | 41.4 Ų | 41.4 | 58% | 0.579 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -105.7 | 84.3 | 169.3 | -71.9 | -59.8 | 148.2 | 0 | 0 | 109.4 | R207 | R207-E244 IonicContact NH2-OE2 3.84Å; R207-E244 PolarHBondContact NH2-OE2 3.47Å |
| 245 | P | 94 | Very high | 93.6 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 8% | 0.078 | 21% | 0.208 | C | C | . | . | trans | -71.1 | 141 | 179.3 | 31.8 | -36.6 | 0 | 0 | 0 | 110.6 | V204 R207 K240 Y243 V247 | V204-P245 HydrophobicContact CB-CB 4.46Å; V204-P245 HydrophobicContact CG2-CB 3.58Å; V204-P245 HydrophobicContact CG2-CG 4.37Å; R207-P245 HydrophobicContact CB-CG 4.45Å; K240-P245 WeakPolarHBondContact O-CA 3.31Å; Y243-P245 VanDerWaalsContact C-CD 3.48Å; Y243-P245 WeakPolarHBondContact O-CD 3.31Å; P245-V247 HydrophobicContact CB-CG2 3.87Å; P245-V247 HydrophobicContact CG-CG2 4.05Å; P245-V247 PolarHBondContact O-N 3.21Å | ||
| 246 | K | 96.5 | Very high | 93.5 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 26% | 0.261 | 22% | 0.215 | S | C | . | . | trans | -80.8 | 102.3 | 172.9 | -173.8 | 167.7 | 179.5 | 174 | 0 | 108.6 | H114 G115 Y116 Y236 D237 K240 | H114-K246 PolarHBondContact O-NZ 2.7Å; G115-K246 PolarHBondContact O-NZ 3.04Å; Y116-K246 HydrophobicContact CD1-CD 4.41Å; Y116-K246 HydrophobicContact CD1-CG 4.4Å; Y116-K246 HydrophobicContact CD2-CD 4.31Å; Y116-K246 VanDerWaalsContact CD2-CE 3.44Å; Y116-K246 HydrophobicContact CE1-CD 4.31Å; Y116-K246 HydrophobicContact CE1-CG 3.87Å; Y116-K246 HydrophobicContact CE2-CD 4.26Å; Y116-K246 HydrophobicContact CE2-CG 4.33Å; Y116-K246 HydrophobicContact CG-CD 4.4Å; Y236-K246 CarbonylContact C-O 3.38Å; Y236-K246 WeakPolarHBondContact CA-O 3.33Å; D237-K246 HydrophobicContact CB-CB 4.05Å; D237-K246 PolarHBondContact N-O 2.85Å; K240-K246 HydrophobicContact CB-CB 4.11Å; K240-K246 HydrophobicContact CD-CB 4.22Å; K240-K246 PolarHBondContact O-N 3.38Å; K240-K246 VanDerWaalsContact O-N 3.13Å | ||
| 247 | V | 97.8 | Very high | 93.6 | Very high | 14 Ų | 14 | 44 Ų | 44 | 9% | 0.085 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142.5 | -175.5 | -179 | 0 | 0 | 0 | 0 | 109.4 | V204 R207 V208 V235 P245 | V204-V247 HydrophobicContact CB-CG2 4.23Å; V204-V247 HydrophobicContact CG1-CG2 3.85Å; V204-V247 HydrophobicContact CG2-CG2 4.28Å; R207-V247 HydrophobicContact CB-CB 4.29Å; R207-V247 HydrophobicContact CB-CG1 4.36Å; R207-V247 HydrophobicContact CB-CG2 4.25Å; R207-V247 HydrophobicContact CG-CB 3.89Å; R207-V247 HydrophobicContact CG-CG1 4.13Å; R207-V247 HydrophobicContact CG-CG2 4.31Å; V208-V247 HydrophobicContact CG2-CG1 3.54Å; V235-V247 VanDerWaalsContact O-CA 3.32Å; V235-V247 WeakPolarHBondContact O-CA 3.4Å; P245-V247 HydrophobicContact CB-CG2 3.87Å; P245-V247 HydrophobicContact CG-CG2 4.05Å; P245-V247 PolarHBondContact O-N 3.21Å |
| 248 | D | 97.7 | Very high | 93.6 | Very high | 23 Ų | 23 | 47.2 Ų | 47.2 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 155.4 | 167.2 | -152 | -4.3 | 0 | 0 | 0 | 111.4 | I112 Y116 R211 V235 K250 | I112-D248 HydrophobicContact CG2-CB 4.49Å; Y116-D248 WeakPolarHBondContact OH-CB 3.28Å; Y116-D248 PolarHBondContact OH-N 3.1Å; R211-D248 IonicContact NH1-OD1 3.63Å; V235-D248 HydrophobicContact CG2-CB 3.59Å; V235-D248 WeakPolarHBondContact CG2-O 3.5Å; V235-D248 PolarHBondContact N-O 3.26Å; V235-D248 PolarHBondContact O-N 3.29Å; D248-K250 WeakPolarHBondContact OD2-CE 3.27Å |
| 249 | V | 98.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 111.1 | 177.6 | 175.8 | 0 | 0 | 0 | 0 | 106.4 | V208 R211 L212 I232 L233 I234 | V208-V249 HydrophobicContact CG1-CG2 4.18Å; R211-V249 HydrophobicContact CB-CB 3.82Å; R211-V249 HydrophobicContact CB-CG1 4.49Å; R211-V249 HydrophobicContact CB-CG2 3.76Å; R211-V249 HydrophobicContact CG-CG2 4.38Å; L212-V249 HydrophobicContact CD2-CG1 3.7Å; L212-V249 HydrophobicContact CG-CG1 4.24Å; I232-V249 HydrophobicContact CG2-CG1 3.42Å; I232-V249 VanDerWaalsContact CG2-CG1 3.42Å; L233-V249 WeakPolarHBondContact O-CA 3.38Å; I234-V249 HydrophobicContact CG1-CG2 4.43Å |
| 250 | K | 98.6 | Very high | 93.9 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 7% | 0.065 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.9 | -174.3 | -66.6 | -70.8 | -172.9 | 167.1 | 0 | 111.1 | M86 V87 I88 I112 I232 L233 D248 | M86-K250 PolarHBondContact O-NZ 2.92Å; V87-K250 CarbonylContact O-C 3.49Å; V87-K250 VanDerWaalsContact O-CA 3.22Å; V87-K250 WeakPolarHBondContact O-CA 3.44Å; V87-K250 WeakPolarHBondContact O-CD 3.26Å; I88-K250 PolarHBondContact O-NZ 3.14Å; I112-K250 HydrophobicContact CD1-CB 3.69Å; I112-K250 HydrophobicContact CD1-CG 3.86Å; I112-K250 HydrophobicContact CG1-CB 4.44Å; I112-K250 HydrophobicContact CG1-CG 4.07Å; I112-K250 HydrophobicContact CG2-CG 4.1Å; I232-K250 CarbonylContact C-O 3.52Å; I232-K250 WeakPolarHBondContact CA-O 3.48Å; L233-K250 PolarHBondContact N-O 3.44Å; L233-K250 PolarHBondContact O-N 2.87Å; D248-K250 WeakPolarHBondContact OD2-CE 3.27Å |
| 251 | M | 98.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 139.7 | 165.8 | -56.5 | 170.2 | 66.6 | 0 | 0 | 109.4 | L84 V87 I88 P89 L215 F219 F227 S231 F254 Y267 | L84-M251 HydrophobicContact CD2-SD 4.36Å; V87-M251 HydrophobicContact CG2-SD 4.06Å; V87-M251 PolarHBondContact O-N 3.43Å; I88-M251 HydrophobicContact CG2-CB 4.18Å; P89-M251 WeakPolarHBondContact CD-O 3.41Å; L215-M251 HydrophobicContact CD1-CG 4.3Å; L215-M251 HydrophobicContact CD1-SD 3.67Å; L215-M251 HydrophobicContact CD2-CG 4.06Å; L215-M251 HydrophobicContact CD2-SD 4.38Å; F219-M251 HydrophobicContact CE2-CE 3.81Å; F219-M251 HydrophobicContact CE2-SD 4.04Å; F219-M251 HydrophobicContact CZ-CE 3.57Å; F219-M251 HydrophobicContact CZ-SD 4.39Å; F227-M251 HydrophobicContact CD1-CE 3.72Å; F227-M251 HydrophobicContact CD2-CE 4.22Å; F227-M251 HydrophobicContact CE1-CE 3.72Å; F227-M251 HydrophobicContact CE2-CE 4.19Å; F227-M251 HydrophobicContact CG-CE 3.99Å; F227-M251 HydrophobicContact CZ-CE 3.96Å; S231-M251 CarbonylContact O-C 3.58Å; S231-M251 WeakPolarHBondContact O-CA 3.47Å; M251-F254 HydrophobicContact CB-CE1 3.93Å; M251-F254 HydrophobicContact CB-CZ 3.87Å; M251-F254 HydrophobicContact CE-CE1 4.38Å; M251-F254 VanDerWaalsContact O-CZ 3.32Å; M251-F254 WeakPolarHBondContact O-CZ 3.48Å; M251-Y267 HydrophobicContact CE-CE2 4.12Å |
| 252 | I | 97.8 | Very high | 95 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 171.5 | 179.6 | 61.5 | 165 | 0 | 0 | 0 | 110.6 | P89 I112 S230 S231 L233 | P89-I252 HydrophobicContact CG-CG2 4.2Å; I112-I252 HydrophobicContact CD1-CG2 4.1Å; S230-I252 WeakPolarHBondContact CB-O 3.4Å; S231-I252 PolarHBondContact N-O 3.42Å; S231-I252 PolarHBondContact O-N 2.87Å; L233-I252 HydrophobicContact CB-CD1 3.98Å; L233-I252 HydrophobicContact CB-CG1 4.31Å; L233-I252 HydrophobicContact CB-CG2 4.32Å; L233-I252 HydrophobicContact CD1-CD1 4.09Å; L233-I252 HydrophobicContact CG-CD1 4.48Å |
| 253 | D | 96.4 | Very high | 95.7 | Very high | 31 Ų | 31 | 48.6 Ų | 48.6 | 17% | 0.166 | 25% | 0.252 | C | S | . | . | trans | 62.9 | 75.1 | 177 | -74.1 | -12.5 | 0 | 0 | 0 | 114.4 | K48 S230 T255 | K48-D253 IonicContact NZ-OD1 2.79Å; K48-D253 PolarHBondContact NZ-OD1 3.48Å; S230-D253 WeakPolarHBondContact CA-O 3.33Å; S230-D253 WeakPolarHBondContact CB-O 3.33Å; D253-T255 PolarHBondContact O-N 3.26Å | ||
| 254 | F | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -95.2 | 27.7 | -175 | -53 | -62.5 | 0 | 0 | 0 | 114.5 | E59 F62 Y63 I88 F227 M251 H256 V257 | E59-F254 WeakPolarHBondContact CA-O 3.27Å; E59-F254 HydrophobicContact CB-CB 4.38Å; E59-F254 HydrophobicContact CG-CB 4.15Å; E59-F254 PolarHBondContact OE1-N 2.79Å; F62-F254 HydrophobicContact CB-CB 4.33Å; F62-F254 HydrophobicContact CD1-CB 3.54Å; F62-F254 AromaticContact CD1-CD1 3.94Å; F62-F254 HydrophobicContact CD1-CD1 3.94Å; F62-F254 AromaticContact CD1-CD2 3.5Å; F62-F254 HydrophobicContact CD1-CD2 3.5Å; F62-F254 VanDerWaalsContact CD1-CD2 3.5Å; F62-F254 HydrophobicContact CD1-CE2 4.15Å; F62-F254 AromaticContact CD1-CG 3.37Å; F62-F254 HydrophobicContact CD1-CG 3.37Å; F62-F254 HydrophobicContact CE1-CB 4.13Å; F62-F254 AromaticContact CE1-CD1 3.6Å; F62-F254 HydrophobicContact CE1-CD1 3.6Å; F62-F254 AromaticContact CE1-CD2 3.56Å; F62-F254 HydrophobicContact CE1-CD2 3.56Å; F62-F254 AromaticContact CE1-CE1 3.81Å; F62-F254 HydrophobicContact CE1-CE1 3.81Å; F62-F254 AromaticContact CE1-CE2 3.76Å; F62-F254 HydrophobicContact CE1-CE2 3.76Å; F62-F254 AromaticContact CE1-CG 3.47Å; F62-F254 HydrophobicContact CE1-CG 3.47Å; F62-F254 VanDerWaalsContact CE1-CG 3.47Å; F62-F254 AromaticContact CE1-CZ 3.89Å; F62-F254 HydrophobicContact CE1-CZ 3.89Å; F62-F254 HydrophobicContact CG-CB 4.09Å; F62-F254 HydrophobicContact CG-CG 4.33Å; F62-F254 HydrophobicContact CZ-CD1 4.28Å; F62-F254 HydrophobicContact CZ-CE1 4.39Å; F62-F254 HydrophobicContact CZ-CG 4.5Å; Y63-F254 HydrophobicContact CD2-CD2 4.32Å; Y63-F254 HydrophobicContact CE1-CD2 4.33Å; Y63-F254 HydrophobicContact CE1-CE2 4.04Å; Y63-F254 AromaticContact CE2-CD2 3.61Å; Y63-F254 HydrophobicContact CE2-CD2 3.61Å; Y63-F254 HydrophobicContact CE2-CE2 4.05Å; Y63-F254 AromaticContact CZ-CD2 3.63Å; Y63-F254 AromaticContact CZ-CE2 3.55Å; Y63-F254 WeakPolarHBondContact OH-CE2 3.36Å; I88-F254 HydrophobicContact CB-CE2 4.09Å; I88-F254 HydrophobicContact CB-CZ 3.91Å; I88-F254 HydrophobicContact CD1-CE2 4.4Å; I88-F254 HydrophobicContact CG2-CE1 4.36Å; I88-F254 HydrophobicContact CG2-CE2 4.16Å; I88-F254 HydrophobicContact CG2-CZ 3.53Å; F227-F254 AromaticContact CD1-CD1 3.96Å; F227-F254 HydrophobicContact CD1-CD1 3.96Å; F227-F254 HydrophobicContact CD1-CE1 4.16Å; F227-F254 AromaticContact CE1-CD1 3.94Å; F227-F254 HydrophobicContact CE1-CD1 3.94Å; F227-F254 AromaticContact CE1-CE1 3.99Å; F227-F254 HydrophobicContact CE1-CE1 3.99Å; M251-F254 HydrophobicContact CB-CE1 3.93Å; M251-F254 HydrophobicContact CB-CZ 3.87Å; M251-F254 HydrophobicContact CE-CE1 4.38Å; M251-F254 VanDerWaalsContact O-CZ 3.32Å; M251-F254 WeakPolarHBondContact O-CZ 3.48Å; F254-H256 PolarHBondContact O-N 2.91Å; F254-V257 HydrophobicContact CB-CG2 3.67Å; F254-V257 HydrophobicContact CD1-CG2 3.88Å; F254-V257 HydrophobicContact CG-CG2 4.24Å | ||
| 255 | T | 96 | Very high | 96.9 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -9.8 | -175.3 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | Q51 R55 E59 D253 | Q51-T255 VanDerWaalsContact NE2-CG2 3.35Å; R55-T255 HydrophobicContact CB-CG2 4.13Å; R55-T255 WeakPolarHBondContact O-CG2 3.31Å; E59-T255 HydrophobicContact CB-CG2 4Å; E59-T255 WeakPolarHBondContact OE2-CG2 3.29Å; D253-T255 PolarHBondContact O-N 3.26Å |
| 256 | H | 96.5 | Very high | 97.1 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 15% | 0.153 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | 46 | -179.5 | -63.3 | -68.9 | 0 | 0 | 0 | 109.5 | Y228 F254 Y258 | Y228-H256 PolarHBondContact N-O 2.7Å; Y228-H256 VanDerWaalsContact O-CB 3.27Å; Y228-H256 WeakPolarHBondContact O-CB 3.41Å; F254-H256 PolarHBondContact O-N 2.91Å; H256-Y258 VanDerWaalsContact C-CE2 3.5Å; H256-Y258 HydrophobicContact CB-CE2 4Å; H256-Y258 WeakPolarHBondContact O-CD2 3.42Å; H256-Y258 WeakPolarHBondContact O-CE2 3.47Å |
| 257 | V | 98 | Very high | 97.2 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 9% | 0.085 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 137.2 | 167.5 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | T58 F62 F225 W226 F227 F254 | T58-V257 WeakPolarHBondContact CG2-O 3.46Å; F62-V257 HydrophobicContact CD2-CB 4.32Å; F62-V257 HydrophobicContact CD2-CG1 3.74Å; F62-V257 HydrophobicContact CE2-CG1 4.04Å; F62-V257 HydrophobicContact CG-CG1 4.42Å; F225-V257 HydrophobicContact CB-CG1 4.27Å; F225-V257 HydrophobicContact CD1-CG1 4.07Å; W226-V257 CarbonylContact O-C 3.44Å; W226-V257 VanDerWaalsContact O-CA 3.28Å; W226-V257 WeakPolarHBondContact O-CA 3.22Å; F227-V257 HydrophobicContact CD1-CG1 4.34Å; F227-V257 HydrophobicContact CD1-CG2 3.46Å; F227-V257 VanDerWaalsContact CD1-CG2 3.46Å; F227-V257 HydrophobicContact CE1-CG1 4.22Å; F227-V257 HydrophobicContact CE1-CG2 3.82Å; F227-V257 HydrophobicContact CG-CG2 4.31Å; F254-V257 HydrophobicContact CB-CG2 3.67Å; F254-V257 HydrophobicContact CD1-CG2 3.88Å; F254-V257 HydrophobicContact CG-CG2 4.24Å |
| 258 | Y | 97.3 | Very high | 97.2 | Very high | 66 Ų | 66 | 33.4 Ų | 33.4 | 26% | 0.259 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 151.5 | -179.8 | -57.9 | -91.2 | 0 | 0 | 0 | 109.6 | A132 F225 W226 Y228 H256 G260 | A132-Y258 WeakPolarHBondContact CB-OH 3.45Å; F225-Y258 WeakPolarHBondContact CA-O 3.29Å; W226-Y258 PolarHBondContact N-O 3.15Å; W226-Y258 PolarHBondContact O-N 3.23Å; Y228-Y258 AromaticContact CD2-CD2 3.7Å; Y228-Y258 HydrophobicContact CD2-CD2 3.7Å; Y228-Y258 AromaticContact CD2-CE2 3.9Å; Y228-Y258 HydrophobicContact CD2-CE2 3.9Å; Y228-Y258 HydrophobicContact CE2-CD2 4.26Å; H256-Y258 VanDerWaalsContact C-CE2 3.5Å; H256-Y258 HydrophobicContact CB-CE2 4Å; H256-Y258 WeakPolarHBondContact O-CD2 3.42Å; H256-Y258 WeakPolarHBondContact O-CE2 3.47Å; Y258-G260 PolarHBondContact O-N 3.37Å |
| 259 | P | 95.9 | Very high | 97.3 | Very high | 111 Ų | 111 | 35.2 Ų | 35.2 | 72% | 0.721 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 133.4 | 163.7 | -21 | 33.1 | 0 | 0 | 0 | 109.9 | ||
| 260 | G | 94.8 | Very high | 97.3 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 21% | 0.206 | 20% | 0.203 | C | C | . | . | trans | -100.3 | 159.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | D223 K224 Y258 | D223-G260 CarbonylContact O-C 3.59Å; D223-G260 WeakPolarHBondContact O-CA 3.5Å; D223-G260 VanDerWaalsContact O-O 3.08Å; K224-G260 PolarHBondContact O-N 3.21Å; Y258-G260 PolarHBondContact O-N 3.37Å | ||
| 261 | D | 94.5 | Very high | 97.3 | Very high | 126 Ų | 126 | 34.1 Ų | 34.1 | 67% | 0.674 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -127.7 | 7.4 | 168 | 62.5 | 12.6 | 0 | 0 | 0 | 112.4 | D223 W226 | D223-D261 PolarHBondContact O-N 2.95Å; W226-D261 WeakPolarHBondContact CH2-OD1 3.33Å; W226-D261 WeakPolarHBondContact CZ2-OD1 3.29Å |
| 262 | S | 96.7 | Very high | 97.2 | Very high | 53 Ų | 53 | 36.2 Ų | 36.2 | 37% | 0.371 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -162.7 | 166.5 | -177.4 | 53.2 | 0 | 0 | 0 | 0 | 109.9 | D223 W226 D264 | D223-S262 WeakPolarHBondContact CA-O 3.46Å; D223-S262 PolarHBondContact O-N 3.47Å; W226-S262 WeakPolarHBondContact CZ2-OG 3.41Å; W226-S262 PolarHBondContact NE1-O 2.79Å; S262-D264 PolarHBondContact O-N 3.12Å |
| 263 | T | 97.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 37.3 Ų | 37.3 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | trans | -54.8 | 138.4 | 176.9 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | Q222 A265 | Q222-T263 WeakPolarHBondContact O-CA 3.46Å; T263-A265 PolarHBondContact O-N 2.88Å | ||
| 264 | D | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -72.1 | 78.5 | 174.8 | -170.2 | -16.1 | 0 | 0 | 0 | 111.5 | F219 W226 F227 S262 N266 Y267 L268 | F219-D264 HydrophobicContact CD1-CB 4.15Å; F219-D264 HydrophobicContact CE1-CB 4.12Å; W226-D264 WeakPolarHBondContact CA-OD2 3.35Å; F227-D264 PolarHBondContact N-OD2 3.34Å; S262-D264 PolarHBondContact O-N 3.12Å; D264-N266 PolarHBondContact O-N 3.41Å; D264-N266 PolarHBondContact OD1-N 3.26Å; D264-Y267 VanDerWaalsContact CG-CB 3.41Å; D264-Y267 PolarHBondContact O-N 3.19Å; D264-Y267 PolarHBondContact OD1-N 2.71Å; D264-Y267 WeakPolarHBondContact OD2-CB 3.43Å; D264-L268 VanDerWaalsContact O-CB 3.29Å; D264-L268 WeakPolarHBondContact O-CB 3.41Å; D264-L268 PolarHBondContact O-N 3.01Å | ||
| 265 | A | 97.4 | Very high | 97.4 | Very high | 60 Ų | 60 | 36 Ų | 36 | 50% | 0.496 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.8 | -27.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T263 F269 | T263-A265 PolarHBondContact O-N 2.88Å; A265-F269 WeakPolarHBondContact O-CB 3.38Å; A265-F269 PolarHBondContact O-N 2.86Å; A265-F269 VanDerWaalsContact O-N 3.12Å |
| 266 | N | 97.9 | Very high | 97.5 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 6% | 0.059 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.7 | -50.7 | 177.3 | 175.6 | 55.3 | 0 | 0 | 0 | 111.2 | G127 R128 Q129 Y228 D264 G270 | G127-N266 WeakPolarHBondContact CA-O 3.4Å; R128-N266 WeakPolarHBondContact CG-OD1 3.43Å; R128-N266 PolarHBondContact N-OD1 3.25Å; Q129-N266 WeakPolarHBondContact CB-OD1 3.41Å; Q129-N266 PolarHBondContact N-OD1 3.3Å; Q129-N266 PolarHBondContact O-ND2 2.92Å; Y228-N266 HydrophobicContact CE1-CB 4.26Å; D264-N266 PolarHBondContact O-N 3.41Å; D264-N266 PolarHBondContact OD1-N 3.26Å; N266-G270 PolarHBondContact O-N 3.1Å |
| 267 | Y | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -44 | 178.2 | -161.1 | -73 | 0 | 0 | 0 | 111.1 | I126 F219 F227 S230 I232 M251 D264 F269 G270 L271 | I126-Y267 HydrophobicContact CB-CD1 4.45Å; I126-Y267 HydrophobicContact CB-CD2 4.12Å; I126-Y267 HydrophobicContact CB-CE1 4.17Å; I126-Y267 HydrophobicContact CB-CE2 3.87Å; I126-Y267 HydrophobicContact CB-CG 4.44Å; I126-Y267 HydrophobicContact CG1-CE1 4.3Å; I126-Y267 HydrophobicContact CG1-CE2 4.37Å; I126-Y267 HydrophobicContact CG2-CD1 3.67Å; I126-Y267 HydrophobicContact CG2-CD2 4.02Å; I126-Y267 HydrophobicContact CG2-CE1 3.73Å; I126-Y267 HydrophobicContact CG2-CE2 4.12Å; I126-Y267 HydrophobicContact CG2-CG 3.83Å; I126-Y267 WeakPolarHBondContact CG2-O 3.33Å; F219-Y267 AromaticContact CD1-CD1 3.93Å; F219-Y267 HydrophobicContact CD1-CD1 3.93Å; F219-Y267 HydrophobicContact CD1-CG 4.19Å; F219-Y267 AromaticContact CD2-CD1 3.85Å; F219-Y267 HydrophobicContact CD2-CD1 3.85Å; F219-Y267 AromaticContact CD2-CE1 3.91Å; F219-Y267 HydrophobicContact CD2-CE1 3.91Å; F219-Y267 AromaticContact CE1-CD1 3.51Å; F219-Y267 HydrophobicContact CE1-CD1 3.51Å; F219-Y267 HydrophobicContact CE1-CD2 4.11Å; F219-Y267 HydrophobicContact CE1-CE1 4.14Å; F219-Y267 AromaticContact CE1-CG 3.49Å; F219-Y267 HydrophobicContact CE1-CG 3.49Å; F219-Y267 VanDerWaalsContact CE1-CG 3.49Å; F219-Y267 AromaticContact CE2-CD1 3.41Å; F219-Y267 HydrophobicContact CE2-CD1 3.41Å; F219-Y267 VanDerWaalsContact CE2-CD1 3.41Å; F219-Y267 AromaticContact CE2-CE1 3.22Å; F219-Y267 HydrophobicContact CE2-CE1 3.22Å; F219-Y267 HydrophobicContact CE2-CE2 4.45Å; F219-Y267 HydrophobicContact CE2-CG 4.15Å; F219-Y267 AromaticContact CE2-CZ 3.79Å; F219-Y267 HydrophobicContact CG-CD1 4.09Å; F219-Y267 AromaticContact CZ-CD1 3.22Å; F219-Y267 HydrophobicContact CZ-CD1 3.22Å; F219-Y267 AromaticContact CZ-CD2 3.81Å; F219-Y267 HydrophobicContact CZ-CD2 3.81Å; F219-Y267 AromaticContact CZ-CE1 3.36Å; F219-Y267 HydrophobicContact CZ-CE1 3.36Å; F219-Y267 AromaticContact CZ-CE2 3.88Å; F219-Y267 HydrophobicContact CZ-CE2 3.88Å; F219-Y267 AromaticContact CZ-CG 3.46Å; F219-Y267 HydrophobicContact CZ-CG 3.46Å; F219-Y267 VanDerWaalsContact CZ-CG 3.46Å; F219-Y267 AromaticContact CZ-CZ 3.68Å; F227-Y267 HydrophobicContact CB-CD2 3.55Å; F227-Y267 HydrophobicContact CB-CE2 3.9Å; F227-Y267 HydrophobicContact CB-CG 4.5Å; F227-Y267 HydrophobicContact CG-CD2 4.46Å; S230-Y267 VanDerWaalsContact OG-CE2 3.31Å; S230-Y267 WeakPolarHBondContact OG-CE2 3.28Å; I232-Y267 HydrophobicContact CD1-CE1 4.29Å; I232-Y267 WeakPolarHBondContact CG1-OH 3.37Å; M251-Y267 HydrophobicContact CE-CE2 4.12Å; D264-Y267 VanDerWaalsContact CG-CB 3.41Å; D264-Y267 PolarHBondContact O-N 3.19Å; D264-Y267 PolarHBondContact OD1-N 2.71Å; D264-Y267 WeakPolarHBondContact OD2-CB 3.43Å; Y267-F269 VanDerWaalsContact C-N 3.31Å; Y267-F269 PolarHBondContact O-N 2.84Å; Y267-G270 PolarHBondContact O-N 2.98Å; Y267-G270 VanDerWaalsContact O-N 3.14Å; Y267-L271 HydrophobicContact CD1-CB 4.18Å; Y267-L271 HydrophobicContact CD1-CD2 4.49Å; Y267-L271 HydrophobicContact CE1-CB 4.26Å; Y267-L271 HydrophobicContact CE1-CD2 4.28Å; Y267-L271 WeakPolarHBondContact O-CB 3.33Å; Y267-L271 PolarHBondContact O-N 2.88Å |
| 268 | L | 98.3 | Very high | 97.4 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.5 | -41.5 | 180 | -176 | 64.5 | 0 | 0 | 0 | 111.9 | Q216 F219 N220 D264 T272 | Q216-L268 HydrophobicContact CG-CD1 3.99Å; F219-L268 HydrophobicContact CB-CD1 4.11Å; N220-L268 WeakPolarHBondContact OD1-CD2 3.13Å; D264-L268 VanDerWaalsContact O-CB 3.29Å; D264-L268 WeakPolarHBondContact O-CB 3.41Å; D264-L268 PolarHBondContact O-N 3.01Å; L268-T272 VanDerWaalsContact O-CB 3.22Å; L268-T272 WeakPolarHBondContact O-CB 3.21Å; L268-T272 PolarHBondContact O-N 2.97Å; L268-T272 PolarHBondContact O-OG1 3.14Å |
| 269 | F | 98.3 | Very high | 97.4 | Very high | 62 Ų | 62 | 39.1 Ų | 39.1 | 27% | 0.272 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.4 | -51.5 | 174.2 | 177.7 | -95 | 0 | 0 | 0 | 111.6 | R128 A265 Y267 L271 T272 E273 | R128-F269 HydrophobicContact CB-CD1 4.42Å; R128-F269 HydrophobicContact CG-CD1 4.36Å; A265-F269 WeakPolarHBondContact O-CB 3.38Å; A265-F269 PolarHBondContact O-N 2.86Å; A265-F269 VanDerWaalsContact O-N 3.12Å; Y267-F269 VanDerWaalsContact C-N 3.31Å; Y267-F269 PolarHBondContact O-N 2.84Å; F269-L271 PolarHBondContact O-N 2.88Å; F269-T272 PolarHBondContact O-N 3.26Å; F269-E273 HydrophobicContact CE1-CG 4.19Å; F269-E273 HydrophobicContact CE2-CG 4.5Å; F269-E273 HydrophobicContact CZ-CG 4.12Å; F269-E273 PolarHBondContact O-N 3.43Å |
| 270 | G | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G154 N266 Y267 L274 | G154-G270 WeakPolarHBondContact O-CA 3.35Å; N266-G270 PolarHBondContact O-N 3.1Å; Y267-G270 PolarHBondContact O-N 2.98Å; Y267-G270 VanDerWaalsContact O-N 3.14Å; G270-L274 WeakPolarHBondContact O-CB 3.41Å; G270-L274 PolarHBondContact O-N 2.7Å |
| 271 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | 176 | 177.4 | 57.7 | 0 | 0 | 0 | 111.3 | I126 L212 L215 Q216 F219 I232 Y267 F269 L274 L275 | I126-L271 HydrophobicContact CG2-CB 4.39Å; L212-L271 HydrophobicContact CB-CD1 4.38Å; L212-L271 HydrophobicContact CD2-CD1 3.85Å; L215-L271 HydrophobicContact CB-CD2 4.27Å; L215-L271 HydrophobicContact CD2-CD1 4.44Å; L215-L271 HydrophobicContact CD2-CD2 4.26Å; L215-L271 HydrophobicContact CG-CD2 3.94Å; Q216-L271 HydrophobicContact CB-CD2 3.93Å; Q216-L271 HydrophobicContact CB-CG 4.36Å; Q216-L271 HydrophobicContact CG-CD2 4.42Å; F219-L271 HydrophobicContact CD2-CD2 4Å; I232-L271 HydrophobicContact CD1-CD1 3.87Å; Y267-L271 HydrophobicContact CD1-CB 4.18Å; Y267-L271 HydrophobicContact CD1-CD2 4.49Å; Y267-L271 HydrophobicContact CE1-CB 4.26Å; Y267-L271 HydrophobicContact CE1-CD2 4.28Å; Y267-L271 WeakPolarHBondContact O-CB 3.33Å; Y267-L271 PolarHBondContact O-N 2.88Å; F269-L271 PolarHBondContact O-N 2.88Å; L271-L274 PolarHBondContact O-N 2.94Å; L271-L275 VanDerWaalsContact O-CB 3.31Å; L271-L275 WeakPolarHBondContact O-CB 3.14Å; L271-L275 PolarHBondContact O-N 3.02Å |
| 272 | T | 98.4 | Very high | 97.1 | Very high | 45 Ų | 45 | 29.8 Ų | 29.8 | 28% | 0.276 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 178.8 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | Q216 L268 F269 L275 T276 | Q216-T272 PolarHBondContact NE2-OG1 2.99Å; L268-T272 VanDerWaalsContact O-CB 3.22Å; L268-T272 WeakPolarHBondContact O-CB 3.21Å; L268-T272 PolarHBondContact O-N 2.97Å; L268-T272 PolarHBondContact O-OG1 3.14Å; F269-T272 PolarHBondContact O-N 3.26Å; T272-L275 PolarHBondContact O-N 3.4Å; T272-T276 WeakPolarHBondContact O-CB 3.4Å; T272-T276 PolarHBondContact O-N 2.79Å; T272-T276 PolarHBondContact O-OG1 2.61Å |
| 273 | E | 98.1 | Very high | 96.8 | Very high | 47 Ų | 47 | 34.2 Ų | 34.2 | 22% | 0.22 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -48.1 | 174.3 | -77.4 | -60.9 | 126.3 | 0 | 0 | 111.6 | I153 F155 F269 L275 T276 R277 | I153-E273 WeakPolarHBondContact O-CB 3.34Å; F155-E273 HydrophobicContact CD1-CB 4.18Å; F155-E273 HydrophobicContact CE1-CB 4.27Å; F269-E273 HydrophobicContact CE1-CG 4.19Å; F269-E273 HydrophobicContact CE2-CG 4.5Å; F269-E273 HydrophobicContact CZ-CG 4.12Å; F269-E273 PolarHBondContact O-N 3.43Å; E273-L275 VanDerWaalsContact C-N 3.32Å; E273-L275 PolarHBondContact O-N 3.18Å; E273-T276 PolarHBondContact O-N 2.64Å; E273-R277 WeakPolarHBondContact O-CG 3.45Å; E273-R277 PolarHBondContact O-N 3.08Å |
| 274 | L | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.7 | -47.3 | 177 | 176.8 | 61.1 | 0 | 0 | 0 | 111.5 | V124 I126 F155 F190 L212 G270 L271 R277 L278 | V124-L274 HydrophobicContact CG1-CD2 4.2Å; I126-L274 HydrophobicContact CD1-CD2 3.97Å; F155-L274 HydrophobicContact CD1-CB 3.8Å; F155-L274 HydrophobicContact CD2-CD1 4.33Å; F155-L274 HydrophobicContact CE1-CB 4.04Å; F155-L274 HydrophobicContact CE1-CD1 4.3Å; F155-L274 HydrophobicContact CE2-CD1 4.1Å; F155-L274 HydrophobicContact CG-CB 4.26Å; F155-L274 HydrophobicContact CZ-CD1 4.09Å; F190-L274 HydrophobicContact CE1-CD1 4.33Å; F190-L274 HydrophobicContact CZ-CD1 4.07Å; L212-L274 HydrophobicContact CD1-CD2 4.33Å; L212-L274 HydrophobicContact CD1-CG 4.49Å; G270-L274 WeakPolarHBondContact O-CB 3.41Å; G270-L274 PolarHBondContact O-N 2.7Å; L271-L274 PolarHBondContact O-N 2.94Å; L274-R277 PolarHBondContact O-N 3.42Å; L274-L278 HydrophobicContact CD1-CD1 4.17Å; L274-L278 HydrophobicContact CG-CD1 4.16Å; L274-L278 PolarHBondContact O-N 3.18Å |
| 275 | L | 98.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 180 | -174.8 | 66.6 | 0 | 0 | 0 | 111.5 | V209 L212 E213 L271 T272 E273 R277 L278 Q279 | V209-L275 HydrophobicContact CG1-CD1 4.01Å; L212-L275 HydrophobicContact CB-CD1 3.87Å; E213-L275 HydrophobicContact CG-CD1 3.87Å; E213-L275 HydrophobicContact CG-CD2 3.68Å; E213-L275 HydrophobicContact CG-CG 4.37Å; L271-L275 VanDerWaalsContact O-CB 3.31Å; L271-L275 WeakPolarHBondContact O-CB 3.14Å; L271-L275 PolarHBondContact O-N 3.02Å; T272-L275 PolarHBondContact O-N 3.4Å; E273-L275 VanDerWaalsContact C-N 3.32Å; E273-L275 PolarHBondContact O-N 3.18Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 3Å; L275-L278 PolarHBondContact O-N 3.3Å; L275-L278 VanDerWaalsContact O-N 3.16Å; L275-Q279 HydrophobicContact CD1-CG 4.38Å; L275-Q279 HydrophobicContact CG-CG 4.31Å; L275-Q279 WeakPolarHBondContact O-CB 3.41Å; L275-Q279 WeakPolarHBondContact O-CG 3.43Å; L275-Q279 PolarHBondContact O-N 3.39Å |
| 276 | T | 97.7 | Very high | 94.9 | Very high | 64 Ų | 64 | 33.9 Ų | 33.9 | 39% | 0.393 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.8 | -44 | 178 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | T272 E273 Q279 A280 | T272-T276 WeakPolarHBondContact O-CB 3.4Å; T272-T276 PolarHBondContact O-N 2.79Å; T272-T276 PolarHBondContact O-OG1 2.61Å; E273-T276 PolarHBondContact O-N 2.64Å; T276-Q279 PolarHBondContact O-N 3.16Å; T276-A280 WeakPolarHBondContact O-CB 3.05Å; T276-A280 PolarHBondContact O-N 3.18Å |
| 277 | R | 97 | Very high | 94.1 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 24% | 0.238 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -41.3 | 176.8 | -59.7 | -55.3 | -177.7 | 91.3 | 5.6 | 112.2 | F155 P183 V186 F190 E273 L274 L275 A280 Y281 | F155-R277 HydrophobicContact CE1-CG 4.48Å; P183-R277 PolarHBondContact O-NH1 3.25Å; V186-R277 HydrophobicContact CG1-CB 4.19Å; V186-R277 HydrophobicContact CG1-CG 4.23Å; F190-R277 HydrophobicContact CE2-CB 3.75Å; F190-R277 HydrophobicContact CZ-CB 4.17Å; E273-R277 WeakPolarHBondContact O-CG 3.45Å; E273-R277 PolarHBondContact O-N 3.08Å; L274-R277 PolarHBondContact O-N 3.42Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 3Å; R277-A280 PolarHBondContact O-N 3.38Å; R277-Y281 VanDerWaalsContact O-CB 3.28Å; R277-Y281 WeakPolarHBondContact O-CB 3.37Å; R277-Y281 PolarHBondContact O-N 2.99Å |
| 278 | L | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 176.8 | -77.3 | 168.7 | 0 | 0 | 0 | 112.2 | F190 F194 V208 V209 L212 L274 L275 Y281 V282 | F190-L278 HydrophobicContact CD1-CD2 4.07Å; F190-L278 HydrophobicContact CD2-CD2 4.1Å; F190-L278 HydrophobicContact CE1-CD2 3.88Å; F190-L278 HydrophobicContact CE1-CG 4.31Å; F190-L278 HydrophobicContact CE2-CD2 3.89Å; F190-L278 HydrophobicContact CE2-CG 4.06Å; F190-L278 HydrophobicContact CG-CD2 4.19Å; F190-L278 HydrophobicContact CZ-CD2 3.79Å; F190-L278 HydrophobicContact CZ-CG 3.83Å; F194-L278 HydrophobicContact CE2-CD2 3.81Å; F194-L278 HydrophobicContact CZ-CD2 4.23Å; V208-L278 HydrophobicContact CG1-CD1 4.21Å; V209-L278 HydrophobicContact CG2-CB 3.95Å; L212-L278 HydrophobicContact CD1-CD1 3.38Å; L274-L278 HydrophobicContact CD1-CD1 4.17Å; L274-L278 HydrophobicContact CG-CD1 4.16Å; L274-L278 PolarHBondContact O-N 3.18Å; L275-L278 PolarHBondContact O-N 3.3Å; L275-L278 VanDerWaalsContact O-N 3.16Å; L278-Y281 WeakPolarHBondContact O-CB 3.44Å; L278-Y281 PolarHBondContact O-N 3.11Å; L278-V282 WeakPolarHBondContact O-CG2 3.48Å; L278-V282 PolarHBondContact O-N 3.37Å |
| 279 | Q | 96 | Very high | 91.4 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 29% | 0.29 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.1 | -73.4 | 173.2 | -19.2 | 0 | 0 | 111.6 | V209 E213 L275 T276 Y281 V282 K283 | V209-Q279 HydrophobicContact CG1-CG 4.1Å; E213-Q279 PolarHBondContact OE1-NE2 3.39Å; L275-Q279 HydrophobicContact CD1-CG 4.38Å; L275-Q279 HydrophobicContact CG-CG 4.31Å; L275-Q279 WeakPolarHBondContact O-CB 3.41Å; L275-Q279 WeakPolarHBondContact O-CG 3.43Å; L275-Q279 PolarHBondContact O-N 3.39Å; T276-Q279 PolarHBondContact O-N 3.16Å; Q279-Y281 VanDerWaalsContact C-N 3.32Å; Q279-V282 PolarHBondContact O-N 3.11Å; Q279-K283 WeakPolarHBondContact O-CG 3.35Å; Q279-K283 PolarHBondContact O-N 3.47Å |
| 280 | A | 94.2 | Very high | 89.6 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 37% | 0.372 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T276 R277 V282 K283 A284 | T276-A280 WeakPolarHBondContact O-CB 3.05Å; T276-A280 PolarHBondContact O-N 3.18Å; R277-A280 PolarHBondContact O-N 3.38Å; A280-V282 PolarHBondContact O-N 3.43Å; A280-K283 PolarHBondContact O-N 3.19Å; A280-A284 WeakPolarHBondContact O-CB 3.46Å; A280-A284 PolarHBondContact O-N 3.46Å |
| 281 | Y | 93.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 176 | -179 | -108.6 | 0 | 0 | 0 | 112.7 | F190 D191 F194 F200 I205 R277 L278 Q279 A285 | F190-Y281 HydrophobicContact CB-CD1 4.09Å; F190-Y281 HydrophobicContact CB-CD2 4.02Å; F190-Y281 HydrophobicContact CB-CE1 3.9Å; F190-Y281 HydrophobicContact CB-CE2 3.85Å; F190-Y281 HydrophobicContact CB-CG 4.14Å; F190-Y281 HydrophobicContact CD2-CD1 4.4Å; F190-Y281 HydrophobicContact CD2-CD2 4.27Å; F190-Y281 HydrophobicContact CD2-CG 4Å; F190-Y281 PolarHBondContact O-OH 2.99Å; D191-Y281 VanDerWaalsContact OD1-CE2 3.24Å; D191-Y281 WeakPolarHBondContact OD1-CE2 3.2Å; F194-Y281 HydrophobicContact CD2-CD1 4.42Å; F194-Y281 AromaticContact CD2-CE1 3.66Å; F194-Y281 HydrophobicContact CD2-CE1 3.66Å; F194-Y281 HydrophobicContact CE2-CE1 4.27Å; F194-Y281 HydrophobicContact CG-CE1 4.45Å; F200-Y281 HydrophobicContact CE2-CD1 4.5Å; F200-Y281 AromaticContact CE2-CE1 3.68Å; F200-Y281 HydrophobicContact CE2-CE1 3.68Å; F200-Y281 HydrophobicContact CE2-CE2 4.21Å; F200-Y281 AromaticContact CE2-CZ 3.5Å; F200-Y281 VanDerWaalsContact CE2-CZ 3.5Å; F200-Y281 WeakPolarHBondContact CE2-OH 3.49Å; F200-Y281 AromaticContact CZ-CD1 3.96Å; F200-Y281 HydrophobicContact CZ-CD1 3.96Å; F200-Y281 AromaticContact CZ-CE1 3.43Å; F200-Y281 HydrophobicContact CZ-CE1 3.43Å; F200-Y281 VanDerWaalsContact CZ-CE1 3.43Å; F200-Y281 AromaticContact CZ-CZ 3.78Å; I205-Y281 HydrophobicContact CD1-CD1 4.35Å; I205-Y281 HydrophobicContact CD1-CE1 3.71Å; I205-Y281 HydrophobicContact CG1-CE1 4.49Å; I205-Y281 HydrophobicContact CG2-CD1 4.28Å; R277-Y281 VanDerWaalsContact O-CB 3.28Å; R277-Y281 WeakPolarHBondContact O-CB 3.37Å; R277-Y281 PolarHBondContact O-N 2.99Å; L278-Y281 WeakPolarHBondContact O-CB 3.44Å; L278-Y281 PolarHBondContact O-N 3.11Å; Q279-Y281 VanDerWaalsContact C-N 3.32Å; Y281-A285 WeakPolarHBondContact O-CB 3.36Å; Y281-A285 PolarHBondContact O-N 3.48Å; Y281-A285 VanDerWaalsContact O-N 3.11Å |
| 282 | V | 91.7 | Very high | 85.1 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 9% | 0.085 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 174.2 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | L202 I205 V209 L278 Q279 A280 A284 A285 Q286 | L202-V282 HydrophobicContact CD1-CG1 4.01Å; I205-V282 HydrophobicContact CB-CG2 4.21Å; I205-V282 HydrophobicContact CG2-CG2 3.3Å; V209-V282 HydrophobicContact CG2-CG2 4.25Å; L278-V282 WeakPolarHBondContact O-CG2 3.48Å; L278-V282 PolarHBondContact O-N 3.37Å; Q279-V282 PolarHBondContact O-N 3.11Å; A280-V282 PolarHBondContact O-N 3.43Å; V282-A284 PolarHBondContact O-N 3.4Å; V282-A285 PolarHBondContact O-N 3.26Å; V282-Q286 HydrophobicContact CG1-CG 4.33Å; V282-Q286 WeakPolarHBondContact O-CG 3.26Å; V282-Q286 PolarHBondContact O-N 2.98Å |
| 283 | K | 91.2 | Very high | 84.5 | Confident | 146 Ų | 146 | 63.4 Ų | 63.4 | 64% | 0.635 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.6 | -47.6 | 179.4 | -72.9 | 174.1 | -177.9 | 176.9 | 0 | 111.6 | Q279 A280 A285 Q286 A287 | Q279-K283 WeakPolarHBondContact O-CG 3.35Å; Q279-K283 PolarHBondContact O-N 3.47Å; A280-K283 PolarHBondContact O-N 3.19Å; K283-A285 PolarHBondContact O-N 3.44Å; K283-Q286 PolarHBondContact O-N 3Å; K283-A287 PolarHBondContact O-N 2.94Å; K283-A287 VanDerWaalsContact O-N 3.13Å |
| 284 | A | 86.9 | Confident | 83.7 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 41% | 0.405 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.3 | -36.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A280 V282 C288 | A280-A284 WeakPolarHBondContact O-CB 3.46Å; A280-A284 PolarHBondContact O-N 3.46Å; V282-A284 PolarHBondContact O-N 3.4Å; A284-C288 PolarHBondContact O-N 3.01Å |
| 285 | A | 81.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 2% | 0.017 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -79 | -35.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F200 Y281 V282 K283 A287 C288 V289 | F200-A285 HydrophobicContact CD1-CB 3.54Å; F200-A285 HydrophobicContact CD2-CB 3.6Å; F200-A285 HydrophobicContact CE1-CB 3.08Å; F200-A285 HydrophobicContact CE2-CB 3.16Å; F200-A285 HydrophobicContact CG-CB 3.78Å; F200-A285 HydrophobicContact CZ-CB 2.88Å; Y281-A285 WeakPolarHBondContact O-CB 3.36Å; Y281-A285 PolarHBondContact O-N 3.48Å; Y281-A285 VanDerWaalsContact O-N 3.11Å; V282-A285 PolarHBondContact O-N 3.26Å; K283-A285 PolarHBondContact O-N 3.44Å; A285-A287 VanDerWaalsContact C-N 3.27Å; A285-A287 PolarHBondContact O-N 2.76Å; A285-C288 WeakPolarHBondContact O-CB 3.3Å; A285-C288 PolarHBondContact O-N 3.5Å; A285-C288 VanDerWaalsContact O-N 3.14Å; A285-V289 WeakPolarHBondContact O-CG2 3.12Å; A285-V289 PolarHBondContact O-N 3.24Å; A285-V289 VanDerWaalsContact O-N 3.12Å |
| 286 | Q | 84.1 | Confident | 82 | Confident | 67 Ų | 67 | 71.5 Ų | 71.5 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 172.6 | -73.1 | 179.1 | -66 | 0 | 0 | 111.2 | L202 V282 K283 C288 V289 Q290 | L202-Q286 HydrophobicContact CD1-CG 3.84Å; L202-Q286 HydrophobicContact CD2-CG 3.88Å; V282-Q286 HydrophobicContact CG1-CG 4.33Å; V282-Q286 WeakPolarHBondContact O-CG 3.26Å; V282-Q286 PolarHBondContact O-N 2.98Å; K283-Q286 PolarHBondContact O-N 3Å; Q286-C288 VanDerWaalsContact C-N 3.28Å; Q286-C288 PolarHBondContact O-N 3.46Å; Q286-V289 PolarHBondContact O-N 3.31Å; Q286-Q290 PolarHBondContact O-N 3.3Å |
| 287 | A | 81.4 | Confident | 81 | Confident | 54 Ų | 54 | 72 Ų | 72 | 45% | 0.446 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.7 | -37 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K283 A285 Q290 V291 | K283-A287 PolarHBondContact O-N 2.94Å; K283-A287 VanDerWaalsContact O-N 3.13Å; A285-A287 VanDerWaalsContact C-N 3.27Å; A285-A287 PolarHBondContact O-N 2.76Å; A287-Q290 PolarHBondContact O-N 2.87Å; A287-V291 VanDerWaalsContact O-CG2 3.29Å; A287-V291 WeakPolarHBondContact O-CG2 3.36Å |
| 288 | C | 70.5 | Confident | 80 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 55% | 0.547 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.4 | -33.2 | 178 | -173.9 | 0 | 0 | 0 | 0 | 113.1 | A284 A285 Q286 | A284-C288 PolarHBondContact O-N 3.01Å; A285-C288 WeakPolarHBondContact O-CB 3.3Å; A285-C288 PolarHBondContact O-N 3.5Å; A285-C288 VanDerWaalsContact O-N 3.14Å; Q286-C288 VanDerWaalsContact C-N 3.28Å; Q286-C288 PolarHBondContact O-N 3.46Å |
| 289 | V | 67.8 | Low | 78.8 | Confident | 88 Ų | 88 | 77.8 Ų | 77.8 | 53% | 0.533 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.3 | -30.2 | 177.1 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | A285 Q286 V291 | A285-V289 WeakPolarHBondContact O-CG2 3.12Å; A285-V289 PolarHBondContact O-N 3.24Å; A285-V289 VanDerWaalsContact O-N 3.12Å; Q286-V289 PolarHBondContact O-N 3.31Å; V289-V291 VanDerWaalsContact C-N 3.29Å; V289-V291 PolarHBondContact O-N 3.34Å |
| 290 | Q | 60.6 | Low | 77.5 | Confident | 167 Ų | 167 | 79 Ų | 79 | 78% | 0.78 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -11.4 | 179.2 | -71.9 | -176.9 | -24.9 | 0 | 0 | 114.3 | Q286 A287 | Q286-Q290 PolarHBondContact O-N 3.3Å; A287-Q290 PolarHBondContact O-N 2.87Å |
| 291 | V | 56 | Low | 76.1 | Confident | 129 Ų | 129 | 81.8 Ų | 81.8 | 78% | 0.782 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -3.6 | -176.6 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | A287 V289 | A287-V291 VanDerWaalsContact O-CG2 3.29Å; A287-V291 WeakPolarHBondContact O-CG2 3.36Å; V289-V291 VanDerWaalsContact C-N 3.29Å; V289-V291 PolarHBondContact O-N 3.34Å |
| 292 | V | 47.8 | Very low | 74.5 | Confident | 184 Ų | 184 | 89.2 Ų | 89.2 | 100% | 1.115 | 51% | 0.514 | S | S | * | . | trans | -102.6 | 0 | 176 | -174.3 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 292 of 292 residues in 385 ms
(Link to these results)