| 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 | 45.7 | Very low | 85.1 | Confident | 246 Ų | 246 | 99.7 Ų | 99.7 | 100% | 1.212 | 53% | 0.528 | S | S | * | . | 0 | 134.7 | 0 | -78.3 | -174.8 | -83.4 | 0 | 0 | 107.8 | |||||
| 2 | A | 69.4 | Low | 86 | Confident | 96 Ų | 96 | 92 Ų | 92 | 79% | 0.793 | 49% | 0.489 | S | S | * | . | trans | -71.8 | 140 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q4 | A2-Q4 PolarHBondContact O-N 3.37Š| ||
| 3 | A | 78.9 | Confident | 86.7 | Confident | 49 Ų | 49 | 85.7 Ų | 85.7 | 41% | 0.405 | 45% | 0.454 | S | S | . | . | trans | -61.5 | 127.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | E5 L6 | A3-E5 PolarHBondContact O-N 3.32Å; A3-L6 HydrophobicContact CB-CB 4.48Å; A3-L6 HydrophobicContact CB-CD1 4.28Å; A3-L6 HydrophobicContact CB-CG 4.29Å; A3-L6 PolarHBondContact O-N 3.34Å | ||
| 4 | Q | 88.4 | Confident | 87.3 | Confident | 129 Ų | 129 | 80.4 Ų | 80.4 | 60% | 0.603 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -63.3 | -29.4 | -175.5 | -174.6 | 64.6 | 10.9 | 0 | 0 | 111.4 | A2 L6 K7 | A2-Q4 PolarHBondContact O-N 3.37Å; Q4-L6 PolarHBondContact O-N 3.04Å; Q4-K7 WeakPolarHBondContact O-CB 3.48Å; Q4-K7 WeakPolarHBondContact O-CD 3.37Å; Q4-K7 VanDerWaalsContact O-CG 3.28Å; Q4-K7 WeakPolarHBondContact O-CG 3.28Å; Q4-K7 PolarHBondContact O-N 3.25Å |
| 5 | E | 88.9 | Confident | 87.8 | Confident | 150 Ų | 150 | 75 Ų | 75 | 70% | 0.701 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -65.2 | -23.6 | 177.3 | -59.1 | 75.6 | -165.5 | 0 | 0 | 112.2 | A3 | A3-E5 PolarHBondContact O-N 3.32Š|
| 6 | L | 89.9 | Confident | 88.1 | Confident | 67 Ų | 67 | 73 Ų | 73 | 35% | 0.351 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -102.3 | 12 | -178.9 | -62.4 | 179.9 | 0 | 0 | 0 | 113.3 | A3 Q4 D8 Y9 F34 | A3-L6 HydrophobicContact CB-CB 4.48Å; A3-L6 HydrophobicContact CB-CD1 4.28Å; A3-L6 HydrophobicContact CB-CG 4.29Å; A3-L6 PolarHBondContact O-N 3.34Å; Q4-L6 PolarHBondContact O-N 3.04Å; L6-D8 VanDerWaalsContact C-N 3.29Å; L6-D8 PolarHBondContact O-N 3.42Å; L6-Y9 HydrophobicContact CD2-CD2 4.13Å; L6-Y9 HydrophobicContact CD2-CE2 4.48Å; L6-Y9 HydrophobicContact CD2-CG 4.44Å; L6-Y9 PolarHBondContact O-N 2.99Å; L6-F34 HydrophobicContact CD1-CE1 4.37Å |
| 7 | K | 92.9 | Very high | 88.3 | Confident | 130 Ų | 130 | 69 Ų | 69 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -36.4 | -177.4 | 73.3 | -174.7 | -175.6 | 178 | 0 | 112.8 | Q4 Y9 | Q4-K7 WeakPolarHBondContact O-CB 3.48Å; Q4-K7 WeakPolarHBondContact O-CD 3.37Å; Q4-K7 VanDerWaalsContact O-CG 3.28Å; Q4-K7 WeakPolarHBondContact O-CG 3.28Å; Q4-K7 PolarHBondContact O-N 3.25Å; K7-Y9 VanDerWaalsContact C-N 3.27Å; K7-Y9 PolarHBondContact O-N 3.35Å |
| 8 | D | 95.7 | Very high | 88.2 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 16.6 | -176.7 | -57.8 | -48.2 | 0 | 0 | 0 | 112.4 | L6 H36 D37 | L6-D8 VanDerWaalsContact C-N 3.29Å; L6-D8 PolarHBondContact O-N 3.42Å; D8-H36 WeakPolarHBondContact CB-NE2 2.9Å; D8-H36 CarbonylContact O-C 3.56Å; D8-H36 WeakPolarHBondContact O-CA 3.17Å; D8-H36 PolarHBondContact O-CD2 2.75Å; D8-D37 WeakPolarHBondContact O-CB 3.47Å; D8-D37 PolarHBondContact O-N 3.09Å |
| 9 | Y | 95.4 | Very high | 87.9 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 29% | 0.29 | 36% | 0.357 | S | S | . | . | trans | -116 | 72.2 | 176.4 | -65.3 | -99.1 | 0 | 0 | 0 | 109 | L6 K7 R11 F34 H36 K58 | L6-Y9 HydrophobicContact CD2-CD2 4.13Å; L6-Y9 HydrophobicContact CD2-CE2 4.48Å; L6-Y9 HydrophobicContact CD2-CG 4.44Å; L6-Y9 PolarHBondContact O-N 2.99Å; K7-Y9 VanDerWaalsContact C-N 3.27Å; K7-Y9 PolarHBondContact O-N 3.35Å; Y9-R11 PolarHBondContact O-N 3.32Å; Y9-F34 HydrophobicContact CD1-CB 3.67Å; Y9-F34 HydrophobicContact CE1-CB 4.1Å; Y9-F34 HydrophobicContact CG-CB 4.43Å; Y9-H36 HydrophobicContact CD1-CB 4.17Å; Y9-H36 HydrophobicContact CE1-CB 3.85Å; Y9-H36 AromaticContact CE2-CD2 3.87Å; Y9-H36 AromaticContact CZ-CD2 3.89Å; Y9-K58 WeakPolarHBondContact O-CE 3.24Å; Y9-K58 PolarHBondContact O-NZ 3.02Å; Y9-K58 VanDerWaalsContact O-NZ 3.09Å | ||
| 10 | S | 94.5 | Very high | 87.5 | Confident | 59 Ų | 59 | 72.5 Ų | 72.5 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | trans | -70.3 | -16 | -179.9 | 69.8 | 0 | 0 | 0 | 0 | 113.3 | D37 K58 | S10-D37 WeakPolarHBondContact CB-OD1 3.19Å; S10-D37 PolarHBondContact N-OD1 3.23Å; S10-D37 PolarHBondContact OG-OD1 2.88Å; S10-K58 WeakPolarHBondContact O-CG 3.42Å | ||
| 11 | R | 96.4 | Very high | 87.2 | Confident | 25 Ų | 25 | 76.6 Ų | 76.6 | 9% | 0.094 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.4 | -179.2 | -70.2 | 167.9 | -65.9 | 163.7 | 6.5 | 112 | Y9 I35 H36 L39 V55 G57 | Y9-R11 PolarHBondContact O-N 3.32Å; R11-I35 HydrophobicContact CB-CB 3.96Å; R11-I35 HydrophobicContact CB-CD1 4.2Å; R11-I35 HydrophobicContact CB-CG2 4.45Å; R11-I35 PolarHBondContact O-N 3.4Å; R11-H36 PolarHBondContact NH2-O 3.04Å; R11-L39 PolarHBondContact NH1-O 3.38Å; R11-L39 PolarHBondContact NH2-O 2.53Å; R11-V55 HydrophobicContact CB-CG1 4.41Å; R11-V55 WeakPolarHBondContact CD-O 3.38Å; R11-G57 VanDerWaalsContact CA-O 3.24Å; R11-G57 WeakPolarHBondContact CA-O 3.49Å |
| 12 | A | 95.8 | Very high | 88.9 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 148.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y33 F34 G57 K58 E59 | A12-Y33 CarbonylContact C-O 3.55Å; A12-Y33 WeakPolarHBondContact CA-O 3.32Å; A12-F34 HydrophobicContact CB-CD1 4.31Å; A12-G57 PolarHBondContact N-O 2.96Å; A12-G57 VanDerWaalsContact N-O 3.13Å; A12-K58 HydrophobicContact CB-CB 4.22Å; A12-K58 HydrophobicContact CB-CG 3.99Å; A12-K58 WeakPolarHBondContact O-CA 3.32Å; A12-E59 PolarHBondContact O-N 2.94Å |
| 13 | R | 95.8 | Very high | 89.5 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 4% | 0.038 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.7 | 167.4 | -66.2 | -67.8 | 178.4 | -94.4 | 11.9 | 108.3 | Y15 Y33 E44 V55 T56 G57 E59 W96 | R13-Y15 HydrophobicContact CB-CE2 3.9Å; R13-Y33 HydrophobicContact CB-CD2 4.18Å; R13-Y33 PolarHBondContact N-O 3.19Å; R13-Y33 WeakPolarHBondContact O-CD2 3.38Å; R13-Y33 PolarHBondContact O-N 3.07Å; R13-E44 WeakPolarHBondContact CD-OE2 3.38Å; R13-E44 WeakPolarHBondContact CG-OE1 3.41Å; R13-E44 IonicContact NE-OE2 3.52Å; R13-E44 PolarHBondContact NE-OE2 2.89Å; R13-V55 HydrophobicContact CG-CG1 4.32Å; R13-T56 PolarHBondContact NH1-O 2.74Å; R13-T56 PolarHBondContact NH2-O 3.13Å; R13-G57 PolarHBondContact NH1-O 3.24Å; R13-G57 VanDerWaalsContact NH1-O 3.07Å; R13-E59 IonicContact CZ-OE2 3.28Å; R13-E59 IonicContact NE-OE2 3.19Å; R13-E59 IonicContact NH2-OE2 2.71Å; R13-W96 HydrophobicContact CB-CH2 3.9Å; R13-W96 HydrophobicContact CB-CZ2 4.35Å; R13-W96 HydrophobicContact CG-CH2 3.72Å |
| 14 | V | 95.1 | Very high | 89.8 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 7% | 0.067 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.6 | 178.8 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | I16 C31 F32 E59 I60 R61 | V14-I16 HydrophobicContact CG1-CD1 3.71Å; V14-I16 HydrophobicContact CG1-CG1 3.71Å; V14-C31 WeakPolarHBondContact CA-O 3.47Å; V14-F32 HydrophobicContact CB-CD1 4.32Å; V14-F32 HydrophobicContact CG1-CD1 3.65Å; V14-F32 HydrophobicContact CG1-CD2 4.49Å; V14-F32 HydrophobicContact CG1-CE1 3.48Å; V14-F32 VanDerWaalsContact CG1-CE1 3.48Å; V14-F32 HydrophobicContact CG1-CE2 4.33Å; V14-F32 HydrophobicContact CG1-CG 4.16Å; V14-F32 HydrophobicContact CG1-CZ 3.84Å; V14-F32 HydrophobicContact CG2-CD1 3.75Å; V14-F32 HydrophobicContact CG2-CE1 4.29Å; V14-F32 HydrophobicContact CG2-CG 4.35Å; V14-E59 PolarHBondContact N-O 2.71Å; V14-I60 HydrophobicContact CB-CB 4.37Å; V14-I60 HydrophobicContact CB-CG1 4.1Å; V14-I60 HydrophobicContact CB-CG2 4.25Å; V14-I60 HydrophobicContact CG1-CG2 4.08Å; V14-I60 HydrophobicContact CG2-CG1 4.41Å; V14-R61 PolarHBondContact O-N 2.82Å |
| 15 | Y | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.9 | 178.4 | -69 | -75.8 | 0 | 0 | 0 | 107.8 | R13 G30 C31 Y33 E44 R61 I63 M70 A71 T94 | R13-Y15 HydrophobicContact CB-CE2 3.9Å; Y15-G30 CarbonylContact O-C 3.58Å; Y15-G30 WeakPolarHBondContact O-CA 3.43Å; Y15-C31 HydrophobicContact CD2-CB 4.49Å; Y15-C31 PolarHBondContact N-O 2.82Å; Y15-C31 PolarHBondContact O-N 2.9Å; Y15-Y33 HydrophobicContact CD2-CD2 4.01Å; Y15-Y33 AromaticContact CD2-CE2 3.74Å; Y15-Y33 HydrophobicContact CD2-CE2 3.74Å; Y15-Y33 HydrophobicContact CE2-CD2 4.1Å; Y15-Y33 AromaticContact CE2-CE2 3.99Å; Y15-Y33 HydrophobicContact CE2-CE2 3.99Å; Y15-E44 PolarHBondContact OH-OE1 3.41Å; Y15-E44 PolarHBondContact OH-OE2 3Å; Y15-R61 WeakPolarHBondContact CA-O 3.4Å; Y15-R61 HydrophobicContact CD1-CB 4.08Å; Y15-R61 HydrophobicContact CE1-CB 4.21Å; Y15-R61 HydrophobicContact CE1-CG 4.48Å; Y15-R61 PolarHBondContact OH-NH1 2.93Å; Y15-I63 HydrophobicContact CD1-CD1 3.91Å; Y15-I63 HydrophobicContact CD1-CG1 4.04Å; Y15-I63 HydrophobicContact CG-CD1 4.18Å; Y15-M70 HydrophobicContact CE1-CB 4.33Å; Y15-M70 WeakPolarHBondContact OH-CB 3.42Å; Y15-A71 HydrophobicContact CD1-CB 3.6Å; Y15-A71 HydrophobicContact CE1-CB 3.55Å; Y15-A71 HydrophobicContact CG-CB 4.19Å; Y15-T94 HydrophobicContact CD2-CG2 3.97Å; Y15-T94 HydrophobicContact CE2-CG2 3.77Å |
| 16 | I | 92.8 | Very high | 89.8 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 22% | 0.221 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.7 | 179.4 | -53.4 | 172.8 | 0 | 0 | 0 | 107.6 | V14 E18 F32 R61 S62 I63 | V14-I16 HydrophobicContact CG1-CD1 3.71Å; V14-I16 HydrophobicContact CG1-CG1 3.71Å; I16-E18 HydrophobicContact CB-CG 4.16Å; I16-E18 HydrophobicContact CG2-CG 3.59Å; I16-E18 PolarHBondContact O-N 2.77Å; I16-F32 HydrophobicContact CD1-CE1 4.28Å; I16-F32 HydrophobicContact CD1-CE2 4.43Å; I16-F32 HydrophobicContact CD1-CZ 3.67Å; I16-F32 HydrophobicContact CG1-CE2 4.17Å; I16-F32 HydrophobicContact CG1-CZ 3.89Å; I16-R61 PolarHBondContact N-O 2.98Å; I16-S62 CarbonylContact O-C 3.5Å; I16-S62 VanDerWaalsContact O-CA 3.3Å; I16-S62 WeakPolarHBondContact O-CA 3.5Å; I16-I63 PolarHBondContact O-N 3.33Å |
| 17 | D | 91.3 | Very high | 89.9 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | trans | -81.7 | 105.7 | 167 | -174.1 | 14.5 | 0 | 0 | 0 | 109.5 | S19 F26 T27 L29 K73 | D17-S19 WeakPolarHBondContact OD1-CB 3.44Å; D17-S19 PolarHBondContact OD1-N 3.14Å; D17-S19 VanDerWaalsContact OD1-N 3.14Å; D17-F26 VanDerWaalsContact O-CE2 3.32Å; D17-F26 WeakPolarHBondContact O-CE2 3.5Å; D17-F26 WeakPolarHBondContact OD2-CA 3.19Å; D17-T27 PolarHBondContact OD2-N 2.71Å; D17-T27 PolarHBondContact OD2-OG1 2.98Å; D17-L29 PolarHBondContact N-O 2.93Å; D17-K73 HydrophobicContact CB-CD 3.98Å; D17-K73 IonicContact OD1-NZ 3.65Å; D17-K73 PolarHBondContact OD1-NZ 3.37Å; D17-K73 VanDerWaalsContact OD1-NZ 3.13Å; D17-K73 WeakPolarHBondContact OD2-CD 3.48Å; D17-K73 IonicContact OD2-NZ 3.28Å; D17-K73 PolarHBondContact OD2-NZ 2.68Å | ||
| 18 | E | 86.4 | Confident | 89.8 | Confident | 99 Ų | 99 | 55.2 Ų | 55.2 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | trans | -107.3 | 9.1 | 177.2 | -57.3 | 173.1 | 145.4 | 0 | 0 | 111.7 | I16 Y20 S62 | I16-E18 HydrophobicContact CB-CG 4.16Å; I16-E18 HydrophobicContact CG2-CG 3.59Å; I16-E18 PolarHBondContact O-N 2.77Å; E18-Y20 WeakPolarHBondContact O-CD1 3.44Å; E18-Y20 PolarHBondContact O-N 3.44Å; E18-S62 WeakPolarHBondContact OE2-CB 3.22Å; E18-S62 PolarHBondContact OE2-OG 3.2Å | ||
| 19 | S | 81.9 | Confident | 89.8 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | trans | -81.4 | 56.7 | -174.2 | -87.9 | 0 | 0 | 0 | 0 | 113.9 | D17 E21 S22 F26 K64 | D17-S19 WeakPolarHBondContact OD1-CB 3.44Å; D17-S19 PolarHBondContact OD1-N 3.14Å; D17-S19 VanDerWaalsContact OD1-N 3.14Å; S19-E21 PolarHBondContact O-N 2.83Å; S19-E21 VanDerWaalsContact O-N 3.15Å; S19-S22 PolarHBondContact O-N 2.98Å; S19-S22 VanDerWaalsContact O-N 3.08Å; S19-F26 WeakPolarHBondContact O-CB 3.41Å; S19-K64 WeakPolarHBondContact CB-O 3.2Å; S19-K64 WeakPolarHBondContact OG-CA 3.43Å; S19-K64 WeakPolarHBondContact OG-CB 3.24Å; S19-K64 PolarHBondContact OG-O 3.46Å | ||
| 20 | Y | 81.3 | Confident | 89.8 | Confident | 163 Ų | 163 | 49.9 Ų | 49.9 | 64% | 0.639 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.9 | 175.2 | 60.9 | -94.2 | 0 | 0 | 0 | 113.1 | E18 S22 | E18-Y20 WeakPolarHBondContact O-CD1 3.44Å; E18-Y20 PolarHBondContact O-N 3.44Å; Y20-S22 PolarHBondContact O-N 2.85Å |
| 21 | E | 80.3 | Confident | 89.9 | Confident | 159 Ų | 159 | 47.2 Ų | 47.2 | 74% | 0.743 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -11.5 | 175.4 | -61 | 179.8 | 176.7 | 0 | 0 | 114 | S19 P23 | S19-E21 PolarHBondContact O-N 2.83Å; S19-E21 VanDerWaalsContact O-N 3.15Å; E21-P23 WeakPolarHBondContact O-CD 3.44Å |
| 22 | S | 81.4 | Confident | 90 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | trans | -119.8 | 78 | 176.1 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | S19 Y20 E24 R25 F26 | S19-S22 PolarHBondContact O-N 2.98Å; S19-S22 VanDerWaalsContact O-N 3.08Å; Y20-S22 PolarHBondContact O-N 2.85Å; S22-E24 PolarHBondContact O-N 3.05Å; S22-E24 VanDerWaalsContact O-N 3.07Å; S22-R25 PolarHBondContact O-N 2.67Å; S22-F26 PolarHBondContact O-N 2.84Å | ||
| 23 | P | 82.3 | Confident | 90 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.5 | -173.1 | -24.8 | 34.5 | 0 | 0 | 0 | 114.1 | E21 R25 K75 W86 | E21-P23 WeakPolarHBondContact O-CD 3.44Å; P23-R25 PolarHBondContact O-N 2.76Å; P23-K75 PolarHBondContact O-NZ 3.49Å; P23-W86 HydrophobicContact CB-CE3 3.97Å; P23-W86 HydrophobicContact CB-CZ3 3.45Å; P23-W86 VanDerWaalsContact CB-CZ3 3.45Å; P23-W86 HydrophobicContact CG-CZ3 3.95Å |
| 24 | E | 84.3 | Confident | 90 | Very high | 138 Ų | 138 | 56.9 Ų | 56.9 | 65% | 0.645 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -13.6 | 179.6 | -52 | 73.9 | -159.2 | 0 | 0 | 112.6 | S22 K75 | S22-E24 PolarHBondContact O-N 3.05Å; S22-E24 VanDerWaalsContact O-N 3.07Å; E24-K75 WeakPolarHBondContact O-CD 3.34Å |
| 25 | R | 86.4 | Confident | 90.1 | Very high | 116 Ų | 116 | 56.9 Ų | 56.9 | 44% | 0.438 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | -12 | -175.1 | -62.3 | 178.3 | 178.7 | 176.1 | -0.3 | 113.9 | S22 P23 K73 | S22-R25 PolarHBondContact O-N 2.67Å; P23-R25 PolarHBondContact O-N 2.76Å; R25-K73 PolarHBondContact O-NZ 3.1Å |
| 26 | F | 90.9 | Very high | 90.1 | Very high | 32 Ų | 32 | 59.9 Ų | 59.9 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | trans | -75 | 124.7 | -174.7 | -176.7 | -127.9 | 0 | 0 | 0 | 112.6 | D17 S19 S22 A28 R88 | D17-F26 VanDerWaalsContact O-CE2 3.32Å; D17-F26 WeakPolarHBondContact O-CE2 3.5Å; D17-F26 WeakPolarHBondContact OD2-CA 3.19Å; S19-F26 WeakPolarHBondContact O-CB 3.41Å; S22-F26 PolarHBondContact O-N 2.84Å; F26-A28 HydrophobicContact CE1-CB 3.93Å; F26-A28 HydrophobicContact CE2-CB 4.07Å; F26-A28 HydrophobicContact CZ-CB 3.55Å; F26-R88 HydrophobicContact CD1-CG 3.83Å; F26-R88 VanDerWaalsContact CE1-CD 3.47Å; F26-R88 HydrophobicContact CE1-CG 4.09Å; F26-R88 WeakPolarHBondContact O-CA 3.4Å | ||
| 27 | T | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -112.8 | -11.5 | 177.7 | 65.5 | 0 | 0 | 0 | 0 | 113.7 | D17 L29 K73 K75 R88 | D17-T27 PolarHBondContact OD2-N 2.71Å; D17-T27 PolarHBondContact OD2-OG1 2.98Å; T27-L29 PolarHBondContact O-N 3.48Å; T27-L29 PolarHBondContact OG1-N 2.98Å; T27-K73 HydrophobicContact CG2-CD 4.24Å; T27-K73 HydrophobicContact CG2-CG 4.18Å; T27-K75 HydrophobicContact CG2-CB 3.84Å; T27-K75 HydrophobicContact CG2-CG 4.4Å; T27-R88 CarbonylContact C-O 3.44Å; T27-R88 VanDerWaalsContact C-O 3.24Å; T27-R88 WeakPolarHBondContact CA-O 3.4Å | ||
| 28 | A | 92.5 | Very high | 90.3 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | trans | 52.1 | 18 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F26 R88 | F26-A28 HydrophobicContact CE1-CB 3.93Å; F26-A28 HydrophobicContact CE2-CB 4.07Å; F26-A28 HydrophobicContact CZ-CB 3.55Å; A28-R88 HydrophobicContact CB-CB 4.44Å | ||
| 29 | L | 95.3 | Very high | 90.5 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | trans | -82.5 | 154.2 | 179.1 | -78.5 | 174.2 | 0 | 0 | 0 | 110.6 | D17 T27 I92 H109 | D17-L29 PolarHBondContact N-O 2.93Å; T27-L29 PolarHBondContact O-N 3.48Å; T27-L29 PolarHBondContact OG1-N 2.98Å; L29-I92 HydrophobicContact CB-CD1 3.44Å; L29-I92 VanDerWaalsContact CB-CD1 3.44Å; L29-I92 HydrophobicContact CB-CG1 3.87Å; L29-I92 HydrophobicContact CD1-CG1 4.16Å; L29-H109 HydrophobicContact CD1-CB 4.43Å; L29-H109 HydrophobicContact CD2-CB 3.67Å; L29-H109 HydrophobicContact CG-CB 4.29Å | ||
| 30 | G | 95.3 | Very high | 90.8 | Very high | 23 Ų | 23 | 68.4 Ų | 68.4 | 24% | 0.237 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 152.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y15 N107 | Y15-G30 CarbonylContact O-C 3.58Å; Y15-G30 WeakPolarHBondContact O-CA 3.43Å; G30-N107 PolarHBondContact O-ND2 3.13Å |
| 31 | C | 96.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 66.5 Ų | 66.5 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.6 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 109.4 | V14 Y15 Y33 N107 | V14-C31 WeakPolarHBondContact CA-O 3.47Å; Y15-C31 HydrophobicContact CD2-CB 4.49Å; Y15-C31 PolarHBondContact N-O 2.82Å; Y15-C31 PolarHBondContact O-N 2.9Å; C31-Y33 HydrophobicContact CB-CD2 4.3Å; C31-Y33 HydrophobicContact CB-CE1 4.48Å; C31-Y33 HydrophobicContact CB-CE2 3.43Å; C31-Y33 VanDerWaalsContact CB-CE2 3.43Å; C31-Y33 WeakPolarHBondContact CB-OH 3.09Å; C31-N107 WeakPolarHBondContact SG-CB 3.37Å |
| 32 | F | 96.8 | Very high | 91.7 | Very high | 111 Ų | 111 | 59 Ų | 59 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 108.2 | -177.1 | -67.3 | -113.9 | 0 | 0 | 0 | 108.4 | V14 I16 F34 | V14-F32 HydrophobicContact CB-CD1 4.32Å; V14-F32 HydrophobicContact CG1-CD1 3.65Å; V14-F32 HydrophobicContact CG1-CD2 4.49Å; V14-F32 HydrophobicContact CG1-CE1 3.48Å; V14-F32 VanDerWaalsContact CG1-CE1 3.48Å; V14-F32 HydrophobicContact CG1-CE2 4.33Å; V14-F32 HydrophobicContact CG1-CG 4.16Å; V14-F32 HydrophobicContact CG1-CZ 3.84Å; V14-F32 HydrophobicContact CG2-CD1 3.75Å; V14-F32 HydrophobicContact CG2-CE1 4.29Å; V14-F32 HydrophobicContact CG2-CG 4.35Å; I16-F32 HydrophobicContact CD1-CE1 4.28Å; I16-F32 HydrophobicContact CD1-CE2 4.43Å; I16-F32 HydrophobicContact CD1-CZ 3.67Å; I16-F32 HydrophobicContact CG1-CE2 4.17Å; I16-F32 HydrophobicContact CG1-CZ 3.89Å; F32-F34 HydrophobicContact CB-CE2 3.82Å; F32-F34 HydrophobicContact CB-CZ 4.34Å; F32-F34 HydrophobicContact CD1-CZ 4.39Å |
| 33 | Y | 96.9 | Very high | 92.4 | Very high | 28 Ų | 28 | 59.9 Ų | 59.9 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 110.4 | -179.4 | -54.1 | -72.8 | 0 | 0 | 0 | 109.3 | A12 R13 Y15 C31 T94 W96 L105 | A12-Y33 CarbonylContact C-O 3.55Å; A12-Y33 WeakPolarHBondContact CA-O 3.32Å; R13-Y33 HydrophobicContact CB-CD2 4.18Å; R13-Y33 PolarHBondContact N-O 3.19Å; R13-Y33 WeakPolarHBondContact O-CD2 3.38Å; R13-Y33 PolarHBondContact O-N 3.07Å; Y15-Y33 HydrophobicContact CD2-CD2 4.01Å; Y15-Y33 AromaticContact CD2-CE2 3.74Å; Y15-Y33 HydrophobicContact CD2-CE2 3.74Å; Y15-Y33 HydrophobicContact CE2-CD2 4.1Å; Y15-Y33 AromaticContact CE2-CE2 3.99Å; Y15-Y33 HydrophobicContact CE2-CE2 3.99Å; C31-Y33 HydrophobicContact CB-CD2 4.3Å; C31-Y33 HydrophobicContact CB-CE1 4.48Å; C31-Y33 HydrophobicContact CB-CE2 3.43Å; C31-Y33 VanDerWaalsContact CB-CE2 3.43Å; C31-Y33 WeakPolarHBondContact CB-OH 3.09Å; Y33-T94 HydrophobicContact CE2-CG2 3.9Å; Y33-T94 VanDerWaalsContact CZ-OG1 3.32Å; Y33-T94 PolarHBondContact OH-OG1 2.99Å; Y33-W96 HydrophobicContact CD1-CZ2 4.16Å; Y33-W96 HydrophobicContact CD2-CH2 4.2Å; Y33-W96 AromaticContact CD2-CZ2 3.47Å; Y33-W96 HydrophobicContact CD2-CZ2 3.47Å; Y33-W96 VanDerWaalsContact CD2-CZ2 3.47Å; Y33-W96 AromaticContact CE2-CZ2 3.9Å; Y33-W96 HydrophobicContact CE2-CZ2 3.9Å; Y33-W96 HydrophobicContact CG-CH2 4.13Å; Y33-W96 AromaticContact CG-CZ2 3.59Å; Y33-W96 HydrophobicContact CG-CZ2 3.59Å; Y33-L105 HydrophobicContact CD1-CD1 4.06Å; Y33-L105 HydrophobicContact CE1-CB 4.32Å; Y33-L105 HydrophobicContact CE1-CD1 3.47Å; Y33-L105 VanDerWaalsContact CE1-CD1 3.47Å |
| 34 | F | 96.2 | Very high | 93.1 | Very high | 105 Ų | 105 | 58 Ų | 58 | 46% | 0.461 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.7 | 174.9 | -60.2 | -83.1 | 0 | 0 | 0 | 109.5 | L6 Y9 A12 F32 | L6-F34 HydrophobicContact CD1-CE1 4.37Å; Y9-F34 HydrophobicContact CD1-CB 3.67Å; Y9-F34 HydrophobicContact CE1-CB 4.1Å; Y9-F34 HydrophobicContact CG-CB 4.43Å; A12-F34 HydrophobicContact CB-CD1 4.31Å; F32-F34 HydrophobicContact CB-CE2 3.82Å; F32-F34 HydrophobicContact CB-CZ 4.34Å; F32-F34 HydrophobicContact CD1-CZ 4.39Å |
| 35 | I | 95.9 | Very high | 93.6 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 112.9 | -171.8 | -56.9 | 160.7 | 0 | 0 | 0 | 109.1 | R11 L39 V42 V55 W96 | R11-I35 HydrophobicContact CB-CB 3.96Å; R11-I35 HydrophobicContact CB-CD1 4.2Å; R11-I35 HydrophobicContact CB-CG2 4.45Å; R11-I35 PolarHBondContact O-N 3.4Å; I35-L39 HydrophobicContact CG2-CB 4.24Å; I35-L39 HydrophobicContact CG2-CD1 4.22Å; I35-V42 HydrophobicContact CD1-CG1 3.96Å; I35-V42 HydrophobicContact CG2-CB 4.49Å; I35-V42 HydrophobicContact CG2-CG1 4.47Å; I35-V42 HydrophobicContact CG2-CG2 3.85Å; I35-V55 HydrophobicContact CD1-CB 4.33Å; I35-V55 HydrophobicContact CD1-CG1 3.45Å; I35-V55 VanDerWaalsContact CD1-CG1 3.45Å; I35-W96 HydrophobicContact CD1-CH2 4.39Å; I35-W96 HydrophobicContact CD1-CZ3 4.01Å |
| 36 | H | 95.6 | Very high | 93.9 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 29% | 0.292 | 25% | 0.249 | S | C | . | . | trans | -66.1 | 147.5 | 179.5 | -169.8 | -96.2 | 0 | 0 | 0 | 111.8 | D8 Y9 R11 S38 L39 | D8-H36 WeakPolarHBondContact CB-NE2 2.9Å; D8-H36 CarbonylContact O-C 3.56Å; D8-H36 WeakPolarHBondContact O-CA 3.17Å; D8-H36 PolarHBondContact O-CD2 2.75Å; Y9-H36 HydrophobicContact CD1-CB 4.17Å; Y9-H36 HydrophobicContact CE1-CB 3.85Å; Y9-H36 AromaticContact CE2-CD2 3.87Å; Y9-H36 AromaticContact CZ-CD2 3.89Å; R11-H36 PolarHBondContact NH2-O 3.04Å; H36-S38 WeakPolarHBondContact ND1-CB 3.3Å; H36-S38 PolarHBondContact ND1-N 2.9Å; H36-S38 PolarHBondContact ND1-OG 2.93Å; H36-S38 PolarHBondContact O-N 3.14Å; H36-S38 VanDerWaalsContact O-N 3.14Å; H36-L39 PolarHBondContact O-N 2.77Å | ||
| 37 | D | 95.1 | Very high | 93.9 | Very high | 47 Ų | 47 | 47 Ų | 47 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14.5 | -174.1 | -71 | -14.6 | 0 | 0 | 0 | 113.9 | D8 S10 L39 K40 | D8-D37 WeakPolarHBondContact O-CB 3.47Å; D8-D37 PolarHBondContact O-N 3.09Å; S10-D37 WeakPolarHBondContact CB-OD1 3.19Å; S10-D37 PolarHBondContact N-OD1 3.23Å; S10-D37 PolarHBondContact OG-OD1 2.88Å; D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.31Å; D37-K40 WeakPolarHBondContact O-CE 3.46Å; D37-K40 PolarHBondContact O-NZ 2.82Å |
| 38 | S | 92.7 | Very high | 93.8 | Very high | 77 Ų | 77 | 53 Ų | 53 | 54% | 0.538 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -28.3 | 170.4 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | H36 K40 | H36-S38 WeakPolarHBondContact ND1-CB 3.3Å; H36-S38 PolarHBondContact ND1-N 2.9Å; H36-S38 PolarHBondContact ND1-OG 2.93Å; H36-S38 PolarHBondContact O-N 3.14Å; H36-S38 VanDerWaalsContact O-N 3.14Å; S38-K40 PolarHBondContact O-N 3.26Å; S38-K40 VanDerWaalsContact O-N 3.16Å |
| 39 | L | 90.9 | Very high | 93.8 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | trans | -82 | 91.3 | -176.7 | -67.6 | 176.2 | 0 | 0 | 0 | 111.9 | R11 I35 H36 D37 V42 | R11-L39 PolarHBondContact NH1-O 3.38Å; R11-L39 PolarHBondContact NH2-O 2.53Å; I35-L39 HydrophobicContact CG2-CB 4.24Å; I35-L39 HydrophobicContact CG2-CD1 4.22Å; H36-L39 PolarHBondContact O-N 2.77Å; D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.31Å; L39-V42 HydrophobicContact CB-CG2 3.77Å | ||
| 40 | K | 86.8 | Confident | 93.6 | Very high | 143 Ų | 143 | 55.9 Ų | 55.9 | 62% | 0.622 | 29% | 0.29 | S | S | * | . | trans | -72.2 | -36.8 | -171.5 | -55.8 | -52.4 | -177.3 | -172.7 | 0 | 114.8 | D37 S38 | D37-K40 WeakPolarHBondContact O-CE 3.46Å; D37-K40 PolarHBondContact O-NZ 2.82Å; S38-K40 PolarHBondContact O-N 3.26Å; S38-K40 VanDerWaalsContact O-N 3.16Å | ||
| 41 | N | 88.2 | Confident | 93.5 | Very high | 123 Ų | 123 | 63.2 Ų | 63.2 | 66% | 0.658 | 31% | 0.311 | S | S | * | . | trans | -113.4 | 89.4 | -173.5 | -62.8 | -37.1 | 0 | 0 | 0 | 110.4 | ||||
| 42 | V | 94 | Very high | 93.4 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.8 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | I35 L39 V55 W96 L98 | I35-V42 HydrophobicContact CD1-CG1 3.96Å; I35-V42 HydrophobicContact CG2-CB 4.49Å; I35-V42 HydrophobicContact CG2-CG1 4.47Å; I35-V42 HydrophobicContact CG2-CG2 3.85Å; L39-V42 HydrophobicContact CB-CG2 3.77Å; V42-V55 HydrophobicContact CB-CB 4.4Å; V42-V55 HydrophobicContact CG1-CB 4.04Å; V42-V55 HydrophobicContact CG1-CG2 3.97Å; V42-V55 PolarHBondContact O-N 2.8Å; V42-W96 HydrophobicContact CG1-CE3 4.05Å; V42-W96 HydrophobicContact CG1-CZ3 4.01Å; V42-L98 HydrophobicContact CB-CD2 3.93Å; V42-L98 HydrophobicContact CG1-CD2 3.51Å; V42-L98 HydrophobicContact CG2-CD2 3.73Å |
| 43 | L | 95.7 | Very high | 93.3 | Very high | 59 Ų | 59 | 64 Ų | 64 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 147.1 | 175.6 | -41.5 | 173.2 | 0 | 0 | 0 | 110.2 | F52 H53 K54 W96 S97 | L43-F52 HydrophobicContact CB-CB 3.88Å; L43-F52 HydrophobicContact CB-CD1 3.96Å; L43-F52 HydrophobicContact CB-CG 4.3Å; L43-F52 HydrophobicContact CD1-CB 3.86Å; L43-F52 HydrophobicContact CD1-CG 4.48Å; L43-F52 HydrophobicContact CG-CB 4.49Å; L43-H53 CarbonylContact C-O 3.47Å; L43-H53 WeakPolarHBondContact CA-O 3.39Å; L43-H53 WeakPolarHBondContact CB-O 3.38Å; L43-K54 HydrophobicContact CD2-CB 4.07Å; L43-K54 HydrophobicContact CD2-CG 4.45Å; L43-W96 WeakPolarHBondContact O-CA 3Å; L43-S97 PolarHBondContact N-O 2.73Å; L43-S97 PolarHBondContact O-N 2.95Å |
| 44 | E | 96.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.019 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.6 | 174.6 | 175.5 | 174.1 | -115 | 0 | 0 | 107.9 | R13 Y15 H53 V55 R61 M70 W96 | R13-E44 WeakPolarHBondContact CD-OE2 3.38Å; R13-E44 WeakPolarHBondContact CG-OE1 3.41Å; R13-E44 IonicContact NE-OE2 3.52Å; R13-E44 PolarHBondContact NE-OE2 2.89Å; Y15-E44 PolarHBondContact OH-OE1 3.41Å; Y15-E44 PolarHBondContact OH-OE2 3Å; E44-H53 PolarHBondContact N-O 2.94Å; E44-H53 PolarHBondContact O-N 2.99Å; E44-V55 HydrophobicContact CB-CG2 3.56Å; E44-R61 IonicContact OE1-NH1 2.68Å; E44-R61 IonicContact OE2-CZ 2.98Å; E44-R61 IonicContact OE2-NH1 3.83Å; E44-R61 PolarHBondContact OE2-NH1 3.29Å; E44-M70 HydrophobicContact CG-CB 4.15Å; E44-M70 HydrophobicContact CG-CG 4.45Å; E44-M70 HydrophobicContact CG-SD 3.97Å; E44-W96 HydrophobicContact CB-CE3 4.38Å; E44-W96 HydrophobicContact CB-CZ3 4.27Å |
| 45 | Y | 95 | Very high | 93.2 | Very high | 19 Ų | 19 | 64.3 Ų | 64.3 | 8% | 0.075 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 135.9 | -178.3 | -169.9 | -103.9 | 0 | 0 | 0 | 111.3 | F47 A50 F52 M70 R95 H147 | Y45-F47 AromaticContact CD1-CD1 3.77Å; Y45-F47 HydrophobicContact CD1-CD1 3.77Å; Y45-F47 HydrophobicContact CD1-CD2 4.25Å; Y45-F47 AromaticContact CD1-CE1 3.95Å; Y45-F47 HydrophobicContact CD1-CE1 3.95Å; Y45-F47 HydrophobicContact CD1-CE2 4.41Å; Y45-F47 AromaticContact CD1-CG 3.94Å; Y45-F47 HydrophobicContact CD1-CG 3.94Å; Y45-F47 HydrophobicContact CD1-CZ 4.27Å; Y45-F47 AromaticContact CE1-CD1 3.81Å; Y45-F47 HydrophobicContact CE1-CD1 3.81Å; Y45-F47 HydrophobicContact CE1-CE1 4.24Å; Y45-F47 HydrophobicContact CE1-CG 4.2Å; Y45-A50 WeakPolarHBondContact CE2-O 3.01Å; Y45-A50 VanDerWaalsContact CZ-C 3.47Å; Y45-A50 WeakPolarHBondContact OH-CA 3.41Å; Y45-A50 VanDerWaalsContact OH-CB 3.29Å; Y45-A50 WeakPolarHBondContact OH-CB 3.37Å; Y45-A50 PolarHBondContact OH-O 2.79Å; Y45-F52 HydrophobicContact CD2-CD1 4.13Å; Y45-F52 AromaticContact CD2-CD2 3.78Å; Y45-F52 HydrophobicContact CD2-CD2 3.78Å; Y45-F52 HydrophobicContact CD2-CE1 4.03Å; Y45-F52 AromaticContact CD2-CE2 3.67Å; Y45-F52 HydrophobicContact CD2-CE2 3.67Å; Y45-F52 HydrophobicContact CD2-CG 4.01Å; Y45-F52 AromaticContact CD2-CZ 3.8Å; Y45-F52 HydrophobicContact CD2-CZ 3.8Å; Y45-F52 HydrophobicContact CE2-CD2 4.37Å; Y45-F52 HydrophobicContact CE2-CE2 4.21Å; Y45-F52 HydrophobicContact CG-CE1 4.32Å; Y45-F52 HydrophobicContact CG-CZ 4.36Å; Y45-M70 VanDerWaalsContact O-SD 3.39Å; Y45-R95 HydrophobicContact CD1-CB 4.39Å; Y45-R95 HydrophobicContact CD1-CG 4.35Å; Y45-R95 HydrophobicContact CG-CB 4.28Å; Y45-R95 HydrophobicContact CG-CG 3.98Å; Y45-R95 PolarHBondContact N-O 2.8Å; Y45-H147 AromaticContact CE1-ND1 3.73Å; Y45-H147 AromaticContact CZ-ND1 3.96Å; Y45-H147 PolarHBondContact OH-ND1 3.36Å |
| 46 | N | 93.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 68.1 Ų | 68.1 | 10% | 0.102 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 113.4 | 168.1 | -178.9 | -13.7 | 0 | 0 | 0 | 108.9 | E48 D49 A50 R51 P69 M70 | N46-E48 VanDerWaalsContact C-N 3.29Å; N46-E48 PolarHBondContact O-N 3.33Å; N46-E48 WeakPolarHBondContact OD1-CB 3.2Å; N46-E48 PolarHBondContact OD1-N 3.08Å; N46-D49 VanDerWaalsContact CB-OD1 3.24Å; N46-D49 WeakPolarHBondContact CB-OD1 3.47Å; N46-D49 VanDerWaalsContact ND2-CG 3.33Å; N46-D49 PolarHBondContact ND2-OD2 3.38Å; N46-D49 PolarHBondContact OD1-N 2.66Å; N46-A50 WeakPolarHBondContact O-CA 3.5Å; N46-A50 PolarHBondContact O-N 3.15Å; N46-R51 PolarHBondContact N-O 3.39Å; N46-R51 PolarHBondContact O-N 2.88Å; N46-P69 CarbonylContact C-O 3.38Å; N46-P69 WeakPolarHBondContact CA-O 3.22Å; N46-P69 WeakPolarHBondContact OD1-CB 3.37Å; N46-P69 PolarHBondContact OD1-O 3.07Å; N46-M70 VanDerWaalsContact CA-SD 3.59Å; N46-M70 HydrophobicContact CB-CE 3.82Å; N46-M70 HydrophobicContact CB-SD 3.56Å; N46-M70 VanDerWaalsContact CB-SD 3.56Å |
| 47 | F | 91.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 67 Ų | 67 | 8% | 0.075 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.5 | 178.1 | -65 | -85 | 0 | 0 | 0 | 113.4 | Y45 P69 Q72 R93 R95 H147 | Y45-F47 AromaticContact CD1-CD1 3.77Å; Y45-F47 HydrophobicContact CD1-CD1 3.77Å; Y45-F47 HydrophobicContact CD1-CD2 4.25Å; Y45-F47 AromaticContact CD1-CE1 3.95Å; Y45-F47 HydrophobicContact CD1-CE1 3.95Å; Y45-F47 HydrophobicContact CD1-CE2 4.41Å; Y45-F47 AromaticContact CD1-CG 3.94Å; Y45-F47 HydrophobicContact CD1-CG 3.94Å; Y45-F47 HydrophobicContact CD1-CZ 4.27Å; Y45-F47 AromaticContact CE1-CD1 3.81Å; Y45-F47 HydrophobicContact CE1-CD1 3.81Å; Y45-F47 HydrophobicContact CE1-CE1 4.24Å; Y45-F47 HydrophobicContact CE1-CG 4.2Å; F47-P69 PolarHBondContact N-O 2.79Å; F47-Q72 HydrophobicContact CB-CG 4.3Å; F47-Q72 HydrophobicContact CD1-CG 3.99Å; F47-Q72 HydrophobicContact CD2-CG 3.93Å; F47-Q72 HydrophobicContact CE1-CG 4.26Å; F47-Q72 HydrophobicContact CE2-CG 4.21Å; F47-Q72 HydrophobicContact CG-CG 3.82Å; F47-Q72 HydrophobicContact CZ-CG 4.36Å; F47-R93 HydrophobicContact CZ-CG 4.21Å; F47-R95 HydrophobicContact CE1-CB 4.29Å; F47-R95 HydrophobicContact CE2-CB 4.25Å; F47-R95 HydrophobicContact CZ-CB 3.61Å; F47-H147 AromaticContact CD1-CD2 3.68Å; F47-H147 AromaticContact CD1-NE2 3.76Å; F47-H147 PolarHBondContact O-CE1 3.16Å |
| 48 | E | 89.3 | Confident | 93 | Very high | 125 Ų | 125 | 71.3 Ų | 71.3 | 58% | 0.584 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -41.6 | 177.9 | -70.4 | 179.8 | -177.2 | 0 | 0 | 112.7 | N46 P69 | N46-E48 VanDerWaalsContact C-N 3.29Å; N46-E48 PolarHBondContact O-N 3.33Å; N46-E48 WeakPolarHBondContact OD1-CB 3.2Å; N46-E48 PolarHBondContact OD1-N 3.08Å; E48-P69 HydrophobicContact CB-CB 4.38Å; E48-P69 HydrophobicContact CG-CB 4.13Å |
| 49 | D | 91.8 | Very high | 93 | Very high | 66 Ų | 66 | 71.1 Ų | 71.1 | 35% | 0.353 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -1.8 | 179.2 | 71.3 | 21.9 | 0 | 0 | 0 | 113.8 | N46 R51 H53 | N46-D49 VanDerWaalsContact CB-OD1 3.24Å; N46-D49 WeakPolarHBondContact CB-OD1 3.47Å; N46-D49 VanDerWaalsContact ND2-CG 3.33Å; N46-D49 PolarHBondContact ND2-OD2 3.38Å; N46-D49 PolarHBondContact OD1-N 2.66Å; D49-R51 VanDerWaalsContact C-N 3.32Å; D49-R51 PolarHBondContact O-N 2.84Å; D49-R51 WeakPolarHBondContact OD1-CB 3.09Å; D49-R51 PolarHBondContact OD1-N 2.88Å; D49-H53 IonicContact OD1-NE2 3.19Å; D49-H53 PolarHBondContact OD1-NE2 2.49Å; D49-H53 IonicContact OD2-CD2 3.93Å; D49-H53 IonicContact OD2-CE1 3.88Å; D49-H53 PolarHBondContact OD2-CE1 2.91Å; D49-H53 IonicContact OD2-NE2 3.95Å; D49-H53 PolarHBondContact OD2-NE2 2.85Å |
| 50 | A | 91.8 | Very high | 92.9 | Very high | 53 Ų | 53 | 73.8 Ų | 73.8 | 44% | 0.438 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 33.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y45 N46 | Y45-A50 WeakPolarHBondContact CE2-O 3.01Å; Y45-A50 VanDerWaalsContact CZ-C 3.47Å; Y45-A50 WeakPolarHBondContact OH-CA 3.41Å; Y45-A50 VanDerWaalsContact OH-CB 3.29Å; Y45-A50 WeakPolarHBondContact OH-CB 3.37Å; Y45-A50 PolarHBondContact OH-O 2.79Å; N46-A50 WeakPolarHBondContact O-CA 3.5Å; N46-A50 PolarHBondContact O-N 3.15Å |
| 51 | R | 93.1 | Very high | 92.8 | Very high | 177 Ų | 177 | 69 Ų | 69 | 67% | 0.668 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 153.9 | -177.2 | -65 | 172.8 | -177.1 | -171.5 | 0 | 113.7 | N46 D49 H53 | N46-R51 PolarHBondContact N-O 3.39Å; N46-R51 PolarHBondContact O-N 2.88Å; D49-R51 VanDerWaalsContact C-N 3.32Å; D49-R51 PolarHBondContact O-N 2.84Å; D49-R51 WeakPolarHBondContact OD1-CB 3.09Å; D49-R51 PolarHBondContact OD1-N 2.88Å; R51-H53 PolarHBondContact O-CD2 3.46Å |
| 52 | F | 94.7 | Very high | 92.5 | Very high | 59 Ų | 59 | 65 Ų | 65 | 26% | 0.259 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 132 | 170.3 | -76.5 | -79.1 | 0 | 0 | 0 | 111.5 | L43 Y45 R95 N102 | L43-F52 HydrophobicContact CB-CB 3.88Å; L43-F52 HydrophobicContact CB-CD1 3.96Å; L43-F52 HydrophobicContact CB-CG 4.3Å; L43-F52 HydrophobicContact CD1-CB 3.86Å; L43-F52 HydrophobicContact CD1-CG 4.48Å; L43-F52 HydrophobicContact CG-CB 4.49Å; Y45-F52 HydrophobicContact CD2-CD1 4.13Å; Y45-F52 AromaticContact CD2-CD2 3.78Å; Y45-F52 HydrophobicContact CD2-CD2 3.78Å; Y45-F52 HydrophobicContact CD2-CE1 4.03Å; Y45-F52 AromaticContact CD2-CE2 3.67Å; Y45-F52 HydrophobicContact CD2-CE2 3.67Å; Y45-F52 HydrophobicContact CD2-CG 4.01Å; Y45-F52 AromaticContact CD2-CZ 3.8Å; Y45-F52 HydrophobicContact CD2-CZ 3.8Å; Y45-F52 HydrophobicContact CE2-CD2 4.37Å; Y45-F52 HydrophobicContact CE2-CE2 4.21Å; Y45-F52 HydrophobicContact CG-CE1 4.32Å; Y45-F52 HydrophobicContact CG-CZ 4.36Å; F52-R95 HydrophobicContact CE1-CG 4.11Å; F52-R95 HydrophobicContact CZ-CG 4.02Å; F52-N102 HydrophobicContact CZ-CB 4.09Å |
| 53 | H | 94.8 | Very high | 91.6 | Very high | 71 Ų | 71 | 64.9 Ų | 64.9 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.7 | 178.2 | -66.4 | -86.9 | 0 | 0 | 0 | 110.7 | L43 E44 D49 R51 V55 M70 | L43-H53 CarbonylContact C-O 3.47Å; L43-H53 WeakPolarHBondContact CA-O 3.39Å; L43-H53 WeakPolarHBondContact CB-O 3.38Å; E44-H53 PolarHBondContact N-O 2.94Å; E44-H53 PolarHBondContact O-N 2.99Å; D49-H53 IonicContact OD1-NE2 3.19Å; D49-H53 PolarHBondContact OD1-NE2 2.49Å; D49-H53 IonicContact OD2-CD2 3.93Å; D49-H53 IonicContact OD2-CE1 3.88Å; D49-H53 PolarHBondContact OD2-CE1 2.91Å; D49-H53 IonicContact OD2-NE2 3.95Å; D49-H53 PolarHBondContact OD2-NE2 2.85Å; R51-H53 PolarHBondContact O-CD2 3.46Å; H53-V55 PolarHBondContact O-N 3.23Å; H53-M70 HydrophobicContact CB-CE 4.23Å |
| 54 | K | 95.6 | Very high | 90.1 | Very high | 139 Ų | 139 | 68.5 Ų | 68.5 | 60% | 0.604 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 131.2 | 179.6 | -173.8 | 175.7 | -178.5 | 176.8 | 0 | 110.7 | L43 T56 | L43-K54 HydrophobicContact CD2-CB 4.07Å; L43-K54 HydrophobicContact CD2-CG 4.45Å; K54-T56 HydrophobicContact CD-CG2 4.49Å; K54-T56 HydrophobicContact CG-CG2 4.27Å; K54-T56 PolarHBondContact O-N 2.7Å |
| 55 | V | 95.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | trans | -79.9 | 116.4 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 110 | R11 R13 I35 V42 E44 H53 W96 | R11-V55 HydrophobicContact CB-CG1 4.41Å; R11-V55 WeakPolarHBondContact CD-O 3.38Å; R13-V55 HydrophobicContact CG-CG1 4.32Å; I35-V55 HydrophobicContact CD1-CB 4.33Å; I35-V55 HydrophobicContact CD1-CG1 3.45Å; I35-V55 VanDerWaalsContact CD1-CG1 3.45Å; V42-V55 HydrophobicContact CB-CB 4.4Å; V42-V55 HydrophobicContact CG1-CB 4.04Å; V42-V55 HydrophobicContact CG1-CG2 3.97Å; V42-V55 PolarHBondContact O-N 2.8Å; E44-V55 HydrophobicContact CB-CG2 3.56Å; H53-V55 PolarHBondContact O-N 3.23Å; V55-W96 HydrophobicContact CG2-CZ3 3.95Å | ||
| 56 | T | 94.3 | Very high | 86.4 | Confident | 90 Ų | 90 | 76.1 Ų | 76.1 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | trans | -127.4 | 149.3 | 177.5 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | R13 K54 | R13-T56 PolarHBondContact NH1-O 2.74Å; R13-T56 PolarHBondContact NH2-O 3.13Å; K54-T56 HydrophobicContact CD-CG2 4.49Å; K54-T56 HydrophobicContact CG-CG2 4.27Å; K54-T56 PolarHBondContact O-N 2.7Å | ||
| 57 | G | 94.6 | Very high | 84.6 | Confident | 41 Ų | 41 | 83 Ų | 83 | 42% | 0.423 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 54.2 | -169 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R11 A12 R13 | R11-G57 VanDerWaalsContact CA-O 3.24Å; R11-G57 WeakPolarHBondContact CA-O 3.49Å; A12-G57 PolarHBondContact N-O 2.96Å; A12-G57 VanDerWaalsContact N-O 3.13Å; R13-G57 PolarHBondContact NH1-O 3.24Å; R13-G57 VanDerWaalsContact NH1-O 3.07Å |
| 58 | K | 94.3 | Very high | 83.6 | Confident | 136 Ų | 136 | 82.9 Ų | 82.9 | 59% | 0.591 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.7 | 174.9 | -60.5 | -177.5 | 178.8 | -176.7 | 0 | 108.8 | Y9 S10 A12 | Y9-K58 WeakPolarHBondContact O-CE 3.24Å; Y9-K58 PolarHBondContact O-NZ 3.02Å; Y9-K58 VanDerWaalsContact O-NZ 3.09Å; S10-K58 WeakPolarHBondContact O-CG 3.42Å; A12-K58 HydrophobicContact CB-CB 4.22Å; A12-K58 HydrophobicContact CB-CG 3.99Å; A12-K58 WeakPolarHBondContact O-CA 3.32Å |
| 59 | E | 92.1 | Very high | 83.4 | Confident | 73 Ų | 73 | 79.1 Ų | 79.1 | 34% | 0.341 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.3 | 178.9 | -161.7 | 176.4 | 164.5 | 0 | 0 | 110.4 | A12 R13 V14 R61 | A12-E59 PolarHBondContact O-N 2.94Å; R13-E59 IonicContact CZ-OE2 3.28Å; R13-E59 IonicContact NE-OE2 3.19Å; R13-E59 IonicContact NH2-OE2 2.71Å; V14-E59 PolarHBondContact N-O 2.71Å; E59-R61 HydrophobicContact CG-CG 4.05Å; E59-R61 IonicContact OE1-CZ 3.6Å; E59-R61 IonicContact OE1-NE 2.87Å; E59-R61 PolarHBondContact OE1-NE 3.22Å; E59-R61 IonicContact OE1-NH2 3.21Å; E59-R61 PolarHBondContact OE1-NH2 2.86Å; E59-R61 IonicContact OE2-CZ 3.25Å; E59-R61 VanDerWaalsContact OE2-CZ 3.28Å; E59-R61 IonicContact OE2-NE 2.71Å; E59-R61 IonicContact OE2-NH2 3.15Å; E59-R61 PolarHBondContact OE2-NH2 3.41Å |
| 60 | I | 89.1 | Confident | 83.3 | Confident | 132 Ų | 132 | 77 Ų | 77 | 68% | 0.677 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.9 | 174.4 | -55.7 | 175.7 | 0 | 0 | 0 | 106.8 | V14 | V14-I60 HydrophobicContact CB-CB 4.37Å; V14-I60 HydrophobicContact CB-CG1 4.1Å; V14-I60 HydrophobicContact CB-CG2 4.25Å; V14-I60 HydrophobicContact CG1-CG2 4.08Å; V14-I60 HydrophobicContact CG2-CG1 4.41Å |
| 61 | R | 85.3 | Confident | 83.4 | Confident | 41 Ų | 41 | 74.5 Ų | 74.5 | 16% | 0.155 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.7 | -176.7 | -65.9 | 178.6 | 175.5 | 147 | -3.5 | 109.5 | V14 Y15 I16 E44 E59 | V14-R61 PolarHBondContact O-N 2.82Å; Y15-R61 WeakPolarHBondContact CA-O 3.4Å; Y15-R61 HydrophobicContact CD1-CB 4.08Å; Y15-R61 HydrophobicContact CE1-CB 4.21Å; Y15-R61 HydrophobicContact CE1-CG 4.48Å; Y15-R61 PolarHBondContact OH-NH1 2.93Å; I16-R61 PolarHBondContact N-O 2.98Å; E44-R61 IonicContact OE1-NH1 2.68Å; E44-R61 IonicContact OE2-CZ 2.98Å; E44-R61 IonicContact OE2-NH1 3.83Å; E44-R61 PolarHBondContact OE2-NH1 3.29Å; E59-R61 HydrophobicContact CG-CG 4.05Å; E59-R61 IonicContact OE1-CZ 3.6Å; E59-R61 IonicContact OE1-NE 2.87Å; E59-R61 PolarHBondContact OE1-NE 3.22Å; E59-R61 IonicContact OE1-NH2 3.21Å; E59-R61 PolarHBondContact OE1-NH2 2.86Å; E59-R61 IonicContact OE2-CZ 3.25Å; E59-R61 VanDerWaalsContact OE2-CZ 3.28Å; E59-R61 IonicContact OE2-NE 2.71Å; E59-R61 IonicContact OE2-NH2 3.15Å; E59-R61 PolarHBondContact OE2-NH2 3.41Å |
| 62 | S | 80.6 | Confident | 83.3 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 117.1 | 168.1 | -168.2 | 0 | 0 | 0 | 0 | 108.4 | I16 E18 K64 | I16-S62 CarbonylContact O-C 3.5Å; I16-S62 VanDerWaalsContact O-CA 3.3Å; I16-S62 WeakPolarHBondContact O-CA 3.5Å; E18-S62 WeakPolarHBondContact OE2-CB 3.22Å; E18-S62 PolarHBondContact OE2-OG 3.2Å; S62-K64 PolarHBondContact O-N 3.41Å; S62-K64 WeakPolarHBondContact OG-CE 3.37Å; S62-K64 WeakPolarHBondContact OG-CG 3.36Å |
| 63 | I | 75.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | trans | -82.4 | 70.7 | 179.6 | -55.1 | 168 | 0 | 0 | 0 | 108.4 | Y15 I16 Q65 A71 K73 I92 | Y15-I63 HydrophobicContact CD1-CD1 3.91Å; Y15-I63 HydrophobicContact CD1-CG1 4.04Å; Y15-I63 HydrophobicContact CG-CD1 4.18Å; I16-I63 PolarHBondContact O-N 3.33Å; I63-Q65 VanDerWaalsContact CG2-O 3.22Å; I63-Q65 WeakPolarHBondContact CG2-O 3.33Å; I63-Q65 PolarHBondContact O-N 2.91Å; I63-A71 HydrophobicContact CD1-CB 4.06Å; I63-K73 HydrophobicContact CG2-CB 4.01Å; I63-K73 HydrophobicContact CG2-CD 4.04Å; I63-I92 HydrophobicContact CD1-CD1 3.92Å; I63-I92 HydrophobicContact CD1-CG1 4.43Å; I63-I92 HydrophobicContact CD1-CG2 4.15Å | ||
| 64 | K | 63 | Low | 83.1 | Confident | 134 Ų | 134 | 64.1 Ų | 64.1 | 58% | 0.583 | 32% | 0.324 | S | S | * | . | trans | -70.8 | -18.5 | -170.2 | -65.1 | -171.5 | 179.4 | -173.1 | 0 | 114.2 | S19 S62 | S19-K64 WeakPolarHBondContact CB-O 3.2Å; S19-K64 WeakPolarHBondContact OG-CA 3.43Å; S19-K64 WeakPolarHBondContact OG-CB 3.24Å; S19-K64 PolarHBondContact OG-O 3.46Å; S62-K64 PolarHBondContact O-N 3.41Å; S62-K64 WeakPolarHBondContact OG-CE 3.37Å; S62-K64 WeakPolarHBondContact OG-CG 3.36Å | ||
| 65 | Q | 59.3 | Low | 83.1 | Confident | 133 Ų | 133 | 59.1 Ų | 59.1 | 62% | 0.621 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -136.4 | 172.5 | 178.3 | -63.4 | -176.1 | 3.8 | 0 | 0 | 109.5 | I63 K67 | I63-Q65 VanDerWaalsContact CG2-O 3.22Å; I63-Q65 WeakPolarHBondContact CG2-O 3.33Å; I63-Q65 PolarHBondContact O-N 2.91Å; Q65-K67 PolarHBondContact O-N 3.03Å |
| 66 | C | 54.1 | Low | 83.1 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -62.7 | 1.9 | -177 | -59 | 0 | 0 | 0 | 0 | 115.5 | ||
| 67 | K | 55.7 | Low | 83 | Confident | 163 Ų | 163 | 57 Ų | 57 | 71% | 0.709 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 106.7 | -178 | -62.9 | -173.1 | 178.4 | -172.5 | 0 | 110 | Q65 | Q65-K67 PolarHBondContact O-N 3.03Å |
| 68 | S | 71.1 | Confident | 82.8 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 140.2 | 145.1 | 158.6 | 0 | 0 | 0 | 0 | 105.2 | M70 A71 | S68-M70 PolarHBondContact O-N 2.85Å; S68-M70 PolarHBondContact OG-N 2.94Å; S68-A71 PolarHBondContact N-O 3.46Å; S68-A71 CarbonylContact O-C 3.55Å; S68-A71 PolarHBondContact O-N 3.09Å |
| 69 | P | 84.9 | Confident | 82.6 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -30.7 | 178.9 | -22.9 | 28.7 | 0 | 0 | 0 | 112.2 | N46 F47 E48 | N46-P69 CarbonylContact C-O 3.38Å; N46-P69 WeakPolarHBondContact CA-O 3.22Å; N46-P69 WeakPolarHBondContact OD1-CB 3.37Å; N46-P69 PolarHBondContact OD1-O 3.07Å; F47-P69 PolarHBondContact N-O 2.79Å; E48-P69 HydrophobicContact CB-CB 4.38Å; E48-P69 HydrophobicContact CG-CB 4.13Å |
| 70 | M | 90.7 | Very high | 82.7 | Confident | 22 Ų | 22 | 56 Ų | 56 | 11% | 0.108 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -2.9 | -175 | -56.1 | -72.2 | -171.6 | 0 | 0 | 114.6 | Y15 E44 Y45 N46 H53 S68 | Y15-M70 HydrophobicContact CE1-CB 4.33Å; Y15-M70 WeakPolarHBondContact OH-CB 3.42Å; E44-M70 HydrophobicContact CG-CB 4.15Å; E44-M70 HydrophobicContact CG-CG 4.45Å; E44-M70 HydrophobicContact CG-SD 3.97Å; Y45-M70 VanDerWaalsContact O-SD 3.39Å; N46-M70 VanDerWaalsContact CA-SD 3.59Å; N46-M70 HydrophobicContact CB-CE 3.82Å; N46-M70 HydrophobicContact CB-SD 3.56Å; N46-M70 VanDerWaalsContact CB-SD 3.56Å; H53-M70 HydrophobicContact CB-CE 4.23Å; S68-M70 PolarHBondContact O-N 2.85Å; S68-M70 PolarHBondContact OG-N 2.94Å |
| 71 | A | 92.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 128.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y15 I63 S68 I92 R93 T94 | Y15-A71 HydrophobicContact CD1-CB 3.6Å; Y15-A71 HydrophobicContact CE1-CB 3.55Å; Y15-A71 HydrophobicContact CG-CB 4.19Å; I63-A71 HydrophobicContact CD1-CB 4.06Å; S68-A71 PolarHBondContact N-O 3.46Å; S68-A71 CarbonylContact O-C 3.55Å; S68-A71 PolarHBondContact O-N 3.09Å; A71-I92 HydrophobicContact CB-CG2 4.34Å; A71-R93 WeakPolarHBondContact CA-O 3.47Å; A71-T94 HydrophobicContact CB-CG2 3.89Å |
| 72 | Q | 91.6 | Very high | 82.7 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.7 | 173.8 | -65.8 | 170.9 | -52.7 | 0 | 0 | 109.2 | F47 I92 R93 E145 | F47-Q72 HydrophobicContact CB-CG 4.3Å; F47-Q72 HydrophobicContact CD1-CG 3.99Å; F47-Q72 HydrophobicContact CD2-CG 3.93Å; F47-Q72 HydrophobicContact CE1-CG 4.26Å; F47-Q72 HydrophobicContact CE2-CG 4.21Å; F47-Q72 HydrophobicContact CG-CG 3.82Å; F47-Q72 HydrophobicContact CZ-CG 4.36Å; Q72-I92 CarbonylContact O-C 3.49Å; Q72-I92 WeakPolarHBondContact O-CA 3.15Å; Q72-R93 HydrophobicContact CB-CB 4.4Å; Q72-R93 PolarHBondContact N-O 2.79Å; Q72-R93 PolarHBondContact O-N 3.16Å; Q72-E145 PolarHBondContact NE2-OE1 2.76Å; Q72-E145 PolarHBondContact NE2-OE2 2.86Å; Q72-E145 PolarHBondContact OE1-OE2 2.93Å |
| 73 | K | 92.6 | Very high | 82.7 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 133.1 | 179.8 | 179.1 | -166.2 | 67.3 | 143.6 | 0 | 109.2 | D17 R25 T27 I63 F91 I92 | D17-K73 HydrophobicContact CB-CD 3.98Å; D17-K73 IonicContact OD1-NZ 3.65Å; D17-K73 PolarHBondContact OD1-NZ 3.37Å; D17-K73 VanDerWaalsContact OD1-NZ 3.13Å; D17-K73 WeakPolarHBondContact OD2-CD 3.48Å; D17-K73 IonicContact OD2-NZ 3.28Å; D17-K73 PolarHBondContact OD2-NZ 2.68Å; R25-K73 PolarHBondContact O-NZ 3.1Å; T27-K73 HydrophobicContact CG2-CD 4.24Å; T27-K73 HydrophobicContact CG2-CG 4.18Å; I63-K73 HydrophobicContact CG2-CB 4.01Å; I63-K73 HydrophobicContact CG2-CD 4.04Å; K73-F91 WeakPolarHBondContact CA-O 3.29Å; K73-I92 HydrophobicContact CB-CG1 4.24Å; K73-I92 HydrophobicContact CG-CG1 3.99Å |
| 74 | E | 92.9 | Very high | 82.9 | Confident | 51 Ų | 51 | 60 Ų | 60 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 136.3 | 172.4 | -160.4 | 169.7 | -175.9 | 0 | 0 | 111 | G90 F91 F137 R141 | E74-G90 CarbonylContact O-C 3.48Å; E74-G90 WeakPolarHBondContact O-CA 3.33Å; E74-F91 HydrophobicContact CB-CD1 4.29Å; E74-F91 HydrophobicContact CB-CE1 3.63Å; E74-F91 HydrophobicContact CB-CZ 3.94Å; E74-F91 PolarHBondContact N-O 2.86Å; E74-F91 VanDerWaalsContact N-O 3.16Å; E74-F91 PolarHBondContact O-N 2.9Å; E74-F137 HydrophobicContact CG-CE1 4.27Å; E74-F137 HydrophobicContact CG-CZ 4.29Å; E74-F137 WeakPolarHBondContact OE1-CZ 3.32Å; E74-R141 IonicContact OE1-CZ 2.69Å; E74-R141 IonicContact OE1-NE 3.79Å; E74-R141 PolarHBondContact OE1-NE 3.29Å; E74-R141 IonicContact OE1-NH2 2.83Å; E74-R141 PolarHBondContact OE1-NH2 3.02Å; E74-R141 WeakPolarHBondContact OE2-CD 3.34Å; E74-R141 IonicContact OE2-CZ 2.67Å; E74-R141 IonicContact OE2-NE 3.52Å; E74-R141 PolarHBondContact OE2-NE 2.92Å; E74-R141 IonicContact OE2-NH2 2.6Å |
| 75 | K | 94.5 | Very high | 83.1 | Confident | 35 Ų | 35 | 61.1 Ų | 61.1 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 142.9 | 170.5 | -178.7 | -177.5 | 158.8 | 170 | 0 | 108.7 | P23 E24 T27 S87 K89 | P23-K75 PolarHBondContact O-NZ 3.49Å; E24-K75 WeakPolarHBondContact O-CD 3.34Å; T27-K75 HydrophobicContact CG2-CB 3.84Å; T27-K75 HydrophobicContact CG2-CG 4.4Å; K75-S87 WeakPolarHBondContact CE-O 3.31Å; K75-S87 PolarHBondContact NZ-O 2.88Å; K75-K89 WeakPolarHBondContact CG-O 3.15Å |
| 76 | F | 95.7 | Very high | 84 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 144.7 | 177.1 | -62.5 | -48.4 | 0 | 0 | 0 | 112.4 | A78 F80 K89 G90 F91 V108 H109 L110 F111 A134 F137 V138 | F76-A78 PolarHBondContact O-N 3.28Å; F76-F80 HydrophobicContact CB-CD2 4.36Å; F76-K89 HydrophobicContact CD2-CB 3.57Å; F76-K89 WeakPolarHBondContact CD2-O 3.48Å; F76-K89 HydrophobicContact CE2-CB 4.02Å; F76-K89 PolarHBondContact N-O 2.67Å; F76-G90 VanDerWaalsContact CE2-CA 3.48Å; F76-G90 VanDerWaalsContact CE2-N 3.28Å; F76-F91 HydrophobicContact CE1-CD1 4.39Å; F76-V108 HydrophobicContact CZ-CG1 4.35Å; F76-H109 WeakPolarHBondContact CE2-O 3.38Å; F76-L110 HydrophobicContact CE2-CD2 3.7Å; F76-L110 HydrophobicContact CZ-CD2 3.59Å; F76-F111 HydrophobicContact CB-CE2 3.79Å; F76-F111 HydrophobicContact CB-CZ 3.61Å; F76-F111 HydrophobicContact CD2-CD2 4.28Å; F76-F111 AromaticContact CD2-CE2 3.68Å; F76-F111 HydrophobicContact CD2-CE2 3.68Å; F76-F111 HydrophobicContact CD2-CZ 4.01Å; F76-F111 AromaticContact CG-CE2 3.98Å; F76-F111 HydrophobicContact CG-CE2 3.98Å; F76-F111 HydrophobicContact CG-CZ 4.21Å; F76-A134 HydrophobicContact CD1-CB 4.28Å; F76-A134 HydrophobicContact CD2-CB 4.14Å; F76-A134 HydrophobicContact CE1-CB 4.21Å; F76-A134 HydrophobicContact CE2-CB 4.08Å; F76-A134 HydrophobicContact CG-CB 4.28Å; F76-A134 HydrophobicContact CZ-CB 4.12Å; F76-F137 AromaticContact CD1-CD1 3.8Å; F76-F137 HydrophobicContact CD1-CD1 3.8Å; F76-F137 HydrophobicContact CD1-CE1 4.18Å; F76-F137 AromaticContact CE1-CD1 3.96Å; F76-F137 HydrophobicContact CE1-CD1 3.96Å; F76-V138 HydrophobicContact CE1-CG2 3.58Å; F76-V138 HydrophobicContact CZ-CG2 3.74Å |
| 77 | P | 93 | Very high | 85.5 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 138 | 174.7 | -27.2 | 35.9 | 0 | 0 | 0 | 112.7 | N79 F80 F137 | P77-N79 WeakPolarHBondContact CB-OD1 3.16Å; P77-N79 PolarHBondContact O-N 3.16Å; P77-F80 HydrophobicContact CB-CD1 3.86Å; P77-F80 HydrophobicContact CB-CE1 3.92Å; P77-F80 HydrophobicContact CB-CG 4.33Å; P77-F80 HydrophobicContact CB-CZ 4.43Å; P77-F80 HydrophobicContact CG-CD1 4.18Å; P77-F80 HydrophobicContact CG-CE1 3.8Å; P77-F80 HydrophobicContact CG-CE2 4.27Å; P77-F80 HydrophobicContact CG-CZ 3.85Å; P77-F80 WeakPolarHBondContact O-CB 3.34Å; P77-F80 PolarHBondContact O-N 2.98Å; P77-F80 VanDerWaalsContact O-N 3.07Å; P77-F137 HydrophobicContact CG-CE2 4.14Å; P77-F137 HydrophobicContact CG-CZ 4.42Å |
| 78 | A | 89.6 | Confident | 87.3 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 65% | 0.653 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -61.7 | -31.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F76 F80 F81 | F76-A78 PolarHBondContact O-N 3.28Å; A78-F80 PolarHBondContact O-N 2.67Å; A78-F81 CarbonylContact O-C 3.42Å; A78-F81 PolarHBondContact O-N 3.22Å |
| 79 | N | 91.2 | Very high | 88.5 | Confident | 109 Ų | 109 | 62.4 Ų | 62.4 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -72.9 | -5.1 | 178.4 | 69.6 | -39.8 | 0 | 0 | 0 | 113.9 | P77 | P77-N79 WeakPolarHBondContact CB-OD1 3.16Å; P77-N79 PolarHBondContact O-N 3.16Å |
| 80 | F | 93.4 | Very high | 89.1 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 18% | 0.18 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -70 | -29 | 172.6 | -76.5 | 14.7 | 0 | 0 | 0 | 111.4 | F76 P77 A78 F111 I130 A134 F137 | F76-F80 HydrophobicContact CB-CD2 4.36Å; P77-F80 HydrophobicContact CB-CD1 3.86Å; P77-F80 HydrophobicContact CB-CE1 3.92Å; P77-F80 HydrophobicContact CB-CG 4.33Å; P77-F80 HydrophobicContact CB-CZ 4.43Å; P77-F80 HydrophobicContact CG-CD1 4.18Å; P77-F80 HydrophobicContact CG-CE1 3.8Å; P77-F80 HydrophobicContact CG-CE2 4.27Å; P77-F80 HydrophobicContact CG-CZ 3.85Å; P77-F80 WeakPolarHBondContact O-CB 3.34Å; P77-F80 PolarHBondContact O-N 2.98Å; P77-F80 VanDerWaalsContact O-N 3.07Å; A78-F80 PolarHBondContact O-N 2.67Å; F80-F111 HydrophobicContact CB-CE2 3.9Å; F80-F111 HydrophobicContact CB-CZ 4.05Å; F80-F111 HydrophobicContact CD2-CE2 4.36Å; F80-I130 WeakPolarHBondContact O-CG2 3.34Å; F80-A134 HydrophobicContact CD2-CB 4.25Å; F80-F137 HydrophobicContact CE2-CB 3.75Å; F80-F137 HydrophobicContact CE2-CD2 4.17Å; F80-F137 HydrophobicContact CE2-CG 4.01Å; F80-F137 HydrophobicContact CZ-CB 4.11Å; F80-F137 AromaticContact CZ-CD2 3.91Å; F80-F137 HydrophobicContact CZ-CD2 3.91Å; F80-F137 HydrophobicContact CZ-CG 4.22Å |
| 81 | F | 91.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -138.2 | 75.9 | 178 | -166.6 | -179.3 | 0 | 0 | 0 | 110.4 | A78 Q83 C84 F111 A114 Y126 Y127 I130 | A78-F81 CarbonylContact O-C 3.42Å; A78-F81 PolarHBondContact O-N 3.22Å; F81-Q83 HydrophobicContact CD2-CB 4.14Å; F81-Q83 HydrophobicContact CE2-CB 3.86Å; F81-Q83 PolarHBondContact O-N 3.35Å; F81-Q83 VanDerWaalsContact O-N 3.08Å; F81-C84 HydrophobicContact CB-CB 4.09Å; F81-C84 HydrophobicContact CD1-CB 3.45Å; F81-C84 VanDerWaalsContact CD1-CB 3.45Å; F81-C84 HydrophobicContact CD2-CB 4.06Å; F81-C84 HydrophobicContact CE1-CB 3.84Å; F81-C84 HydrophobicContact CE2-CB 4.39Å; F81-C84 HydrophobicContact CG-CB 3.58Å; F81-C84 HydrophobicContact CZ-CB 4.28Å; F81-C84 WeakPolarHBondContact O-CA 3.28Å; F81-C84 WeakPolarHBondContact O-CB 3.45Å; F81-C84 PolarHBondContact O-N 2.85Å; F81-F111 HydrophobicContact CB-CD1 4.01Å; F81-F111 HydrophobicContact CB-CE1 3.88Å; F81-F111 HydrophobicContact CB-CG 4.47Å; F81-F111 HydrophobicContact CB-CZ 4.3Å; F81-F111 HydrophobicContact CD1-CB 4.1Å; F81-F111 AromaticContact CD1-CD1 3.62Å; F81-F111 HydrophobicContact CD1-CD1 3.62Å; F81-F111 HydrophobicContact CD1-CE1 4.26Å; F81-F111 HydrophobicContact CD1-CG 4.09Å; F81-F111 HydrophobicContact CG-CD1 4.33Å; F81-A114 HydrophobicContact CZ-CB 3.86Å; F81-Y126 HydrophobicContact CE2-CE1 4.39Å; F81-Y127 HydrophobicContact CE1-CE1 4.47Å; F81-Y127 HydrophobicContact CE2-CD1 4.22Å; F81-Y127 AromaticContact CE2-CE1 3.78Å; F81-Y127 HydrophobicContact CE2-CE1 3.78Å; F81-Y127 AromaticContact CZ-CD1 3.84Å; F81-Y127 HydrophobicContact CZ-CD1 3.84Å; F81-Y127 AromaticContact CZ-CE1 3.47Å; F81-Y127 HydrophobicContact CZ-CE1 3.47Å; F81-Y127 VanDerWaalsContact CZ-CE1 3.47Å; F81-I130 HydrophobicContact CB-CD1 4.36Å; F81-I130 HydrophobicContact CB-CG2 4.11Å; F81-I130 HydrophobicContact CD2-CD1 3.53Å; F81-I130 HydrophobicContact CE2-CD1 3.85Å; F81-I130 HydrophobicContact CG-CD1 3.91Å; F81-I130 HydrophobicContact CG-CG2 4.41Å; F81-I130 HydrophobicContact CZ-CD1 4.49Å |
| 82 | E | 84 | Confident | 89.5 | Confident | 143 Ų | 143 | 59.2 Ų | 59.2 | 67% | 0.668 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.3 | -172.8 | -61.5 | 179.1 | 168.5 | 0 | 0 | 114.1 | C84 | E82-C84 PolarHBondContact O-N 3.12Š|
| 83 | Q | 80.2 | Confident | 89.7 | Confident | 123 Ų | 123 | 57.9 Ų | 57.9 | 58% | 0.575 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -12.4 | 178 | -60.8 | 146.1 | 3.9 | 0 | 0 | 112.6 | F81 Y126 | F81-Q83 HydrophobicContact CD2-CB 4.14Å; F81-Q83 HydrophobicContact CE2-CB 3.86Å; F81-Q83 PolarHBondContact O-N 3.35Å; F81-Q83 VanDerWaalsContact O-N 3.08Å; Q83-Y126 PolarHBondContact NE2-OH 3.44Å |
| 84 | C | 79.8 | Confident | 89.9 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | trans | -105.9 | 91.3 | 178.9 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | F81 E82 W86 | F81-C84 HydrophobicContact CB-CB 4.09Å; F81-C84 HydrophobicContact CD1-CB 3.45Å; F81-C84 VanDerWaalsContact CD1-CB 3.45Å; F81-C84 HydrophobicContact CD2-CB 4.06Å; F81-C84 HydrophobicContact CE1-CB 3.84Å; F81-C84 HydrophobicContact CE2-CB 4.39Å; F81-C84 HydrophobicContact CG-CB 3.58Å; F81-C84 HydrophobicContact CZ-CB 4.28Å; F81-C84 WeakPolarHBondContact O-CA 3.28Å; F81-C84 WeakPolarHBondContact O-CB 3.45Å; F81-C84 PolarHBondContact O-N 2.85Å; E82-C84 PolarHBondContact O-N 3.12Å; C84-W86 PolarHBondContact O-N 3.39Å; C84-W86 PolarHBondContact SG-O 3.41Å | ||
| 85 | Q | 67.5 | Low | 90.1 | Very high | 159 Ų | 159 | 55.2 Ų | 55.2 | 74% | 0.743 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -60.1 | -29.3 | -178.4 | -66.8 | -70.7 | -41.7 | 0 | 0 | 113.2 | ||
| 86 | W | 77.1 | Confident | 90.1 | Very high | 192 Ų | 192 | 54 Ų | 54 | 73% | 0.727 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -136.5 | 105.1 | -177.7 | -59.6 | 89.8 | 0 | 0 | 0 | 110.5 | P23 C84 | P23-W86 HydrophobicContact CB-CE3 3.97Å; P23-W86 HydrophobicContact CB-CZ3 3.45Å; P23-W86 VanDerWaalsContact CB-CZ3 3.45Å; P23-W86 HydrophobicContact CG-CZ3 3.95Å; C84-W86 PolarHBondContact O-N 3.39Å; C84-W86 PolarHBondContact SG-O 3.41Å |
| 87 | S | 87.3 | Confident | 90 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | trans | -111.6 | 150.5 | 175.9 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | K75 K89 F111 | K75-S87 WeakPolarHBondContact CE-O 3.31Å; K75-S87 PolarHBondContact NZ-O 2.88Å; S87-K89 WeakPolarHBondContact OG-CB 3.18Å; S87-K89 VanDerWaalsContact OG-CG 3.25Å; S87-K89 WeakPolarHBondContact OG-CG 3.4Å; S87-K89 PolarHBondContact OG-N 2.84Å; S87-F111 VanDerWaalsContact OG-CE1 3.31Å; S87-F111 WeakPolarHBondContact OG-CE1 3.48Å | ||
| 88 | R | 92.9 | Very high | 89.9 | Confident | 152 Ų | 152 | 54.1 Ų | 54.1 | 57% | 0.574 | 26% | 0.261 | S | S | * | . | trans | -116.4 | 20.6 | 168.4 | -60.8 | 175 | -68.3 | 165.7 | 1.1 | 110.8 | F26 T27 A28 | F26-R88 HydrophobicContact CD1-CG 3.83Å; F26-R88 VanDerWaalsContact CE1-CD 3.47Å; F26-R88 HydrophobicContact CE1-CG 4.09Å; F26-R88 WeakPolarHBondContact O-CA 3.4Å; T27-R88 CarbonylContact C-O 3.44Å; T27-R88 VanDerWaalsContact C-O 3.24Å; T27-R88 WeakPolarHBondContact CA-O 3.4Å; A28-R88 HydrophobicContact CB-CB 4.44Å | ||
| 89 | K | 95.9 | Very high | 89.3 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 12% | 0.122 | 25% | 0.245 | C | C | . | . | trans | -84.3 | 142.1 | -174.7 | -57.8 | -47.8 | -172.2 | -173.6 | 0 | 110.7 | K75 F76 S87 H109 L110 F111 | K75-K89 WeakPolarHBondContact CG-O 3.15Å; F76-K89 HydrophobicContact CD2-CB 3.57Å; F76-K89 WeakPolarHBondContact CD2-O 3.48Å; F76-K89 HydrophobicContact CE2-CB 4.02Å; F76-K89 PolarHBondContact N-O 2.67Å; S87-K89 WeakPolarHBondContact OG-CB 3.18Å; S87-K89 VanDerWaalsContact OG-CG 3.25Å; S87-K89 WeakPolarHBondContact OG-CG 3.4Å; S87-K89 PolarHBondContact OG-N 2.84Å; K89-H109 WeakPolarHBondContact CA-O 3.09Å; K89-H109 WeakPolarHBondContact CB-O 3.4Å; K89-H109 PolarHBondContact NZ-CD2 3Å; K89-H109 PolarHBondContact NZ-CE1 3.01Å; K89-H109 VanDerWaalsContact NZ-CE1 3.27Å; K89-H109 PolarHBondContact NZ-NE2 2.82Å; K89-L110 WeakPolarHBondContact CD-O 3.26Å; K89-L110 WeakPolarHBondContact CE-O 3.43Å; K89-F111 HydrophobicContact CB-CD1 3.99Å; K89-F111 HydrophobicContact CB-CE1 3.98Å; K89-F111 HydrophobicContact CB-CG 4.43Å; K89-F111 HydrophobicContact CB-CZ 4.34Å; K89-F111 HydrophobicContact CG-CD1 3.66Å; K89-F111 HydrophobicContact CG-CE1 4.07Å; K89-F111 HydrophobicContact CG-CG 4.2Å | ||
| 90 | G | 96.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | -158.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E74 F76 H109 | E74-G90 CarbonylContact O-C 3.48Å; E74-G90 WeakPolarHBondContact O-CA 3.33Å; F76-G90 VanDerWaalsContact CE2-CA 3.48Å; F76-G90 VanDerWaalsContact CE2-N 3.28Å; G90-H109 PolarHBondContact N-O 2.83Å; G90-H109 VanDerWaalsContact N-O 3.14Å; G90-H109 PolarHBondContact O-N 2.79Å |
| 91 | F | 97.1 | Very high | 88.4 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 160.4 | 174.8 | 73 | -86.3 | 0 | 0 | 0 | 112.9 | K73 E74 F76 R93 V106 N107 V108 F137 V138 R141 I142 | K73-F91 WeakPolarHBondContact CA-O 3.29Å; E74-F91 HydrophobicContact CB-CD1 4.29Å; E74-F91 HydrophobicContact CB-CE1 3.63Å; E74-F91 HydrophobicContact CB-CZ 3.94Å; E74-F91 PolarHBondContact N-O 2.86Å; E74-F91 VanDerWaalsContact N-O 3.16Å; E74-F91 PolarHBondContact O-N 2.9Å; F76-F91 HydrophobicContact CE1-CD1 4.39Å; F91-R93 HydrophobicContact CD2-CB 4.37Å; F91-R93 HydrophobicContact CE2-CB 4.24Å; F91-V106 HydrophobicContact CB-CG1 4.2Å; F91-V106 HydrophobicContact CD2-CG1 3.89Å; F91-V106 HydrophobicContact CG-CG1 4.38Å; F91-N107 CarbonylContact C-O 3.24Å; F91-N107 WeakPolarHBondContact CA-O 3.27Å; F91-N107 WeakPolarHBondContact CB-O 3.49Å; F91-V108 HydrophobicContact CB-CG2 4.07Å; F91-F137 HydrophobicContact CE1-CE1 4.18Å; F91-V138 HydrophobicContact CB-CG2 4.32Å; F91-V138 HydrophobicContact CD1-CG2 3.86Å; F91-V138 HydrophobicContact CG-CG1 4.39Å; F91-V138 HydrophobicContact CG-CG2 4.26Å; F91-R141 HydrophobicContact CE1-CB 4.28Å; F91-R141 HydrophobicContact CE1-CG 4.32Å; F91-R141 HydrophobicContact CZ-CB 3.9Å; F91-R141 HydrophobicContact CZ-CG 4.29Å; F91-I142 HydrophobicContact CE2-CG2 4.4Å |
| 92 | I | 95.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.8 | 166.1 | -62.5 | 175.5 | 0 | 0 | 0 | 108.2 | L29 I63 A71 Q72 K73 V106 N107 | L29-I92 HydrophobicContact CB-CD1 3.44Å; L29-I92 VanDerWaalsContact CB-CD1 3.44Å; L29-I92 HydrophobicContact CB-CG1 3.87Å; L29-I92 HydrophobicContact CD1-CG1 4.16Å; I63-I92 HydrophobicContact CD1-CD1 3.92Å; I63-I92 HydrophobicContact CD1-CG1 4.43Å; I63-I92 HydrophobicContact CD1-CG2 4.15Å; A71-I92 HydrophobicContact CB-CG2 4.34Å; Q72-I92 CarbonylContact O-C 3.49Å; Q72-I92 WeakPolarHBondContact O-CA 3.15Å; K73-I92 HydrophobicContact CB-CG1 4.24Å; K73-I92 HydrophobicContact CG-CG1 3.99Å; I92-V106 CarbonylContact O-C 3.49Å; I92-V106 VanDerWaalsContact O-CA 3.31Å; I92-V106 WeakPolarHBondContact O-CA 3.01Å; I92-N107 PolarHBondContact N-O 2.82Å; I92-N107 PolarHBondContact O-N 2.91Å |
| 93 | R | 95.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.8 | 171.8 | 174.6 | -178.3 | -176.5 | -178.7 | 28.4 | 110.4 | F47 A71 Q72 F91 D104 L105 V106 I142 E145 | F47-R93 HydrophobicContact CZ-CG 4.21Å; A71-R93 WeakPolarHBondContact CA-O 3.47Å; Q72-R93 HydrophobicContact CB-CB 4.4Å; Q72-R93 PolarHBondContact N-O 2.79Å; Q72-R93 PolarHBondContact O-N 3.16Å; F91-R93 HydrophobicContact CD2-CB 4.37Å; F91-R93 HydrophobicContact CE2-CB 4.24Å; R93-D104 HydrophobicContact CG-CB 4.43Å; R93-D104 IonicContact CZ-OD1 2.76Å; R93-D104 IonicContact CZ-OD2 3.55Å; R93-D104 VanDerWaalsContact NE-CG 3.26Å; R93-D104 IonicContact NE-OD1 3.17Å; R93-D104 PolarHBondContact NE-OD1 2.87Å; R93-D104 IonicContact NE-OD2 3.31Å; R93-D104 PolarHBondContact NE-OD2 2.76Å; R93-D104 IonicContact NH2-OD1 2.69Å; R93-D104 IonicContact NH2-OD2 3.06Å; R93-D104 PolarHBondContact NH2-OD2 2.88Å; R93-L105 WeakPolarHBondContact CA-O 3.18Å; R93-V106 HydrophobicContact CB-CG2 4.23Å; R93-V106 HydrophobicContact CG-CG2 4.12Å; R93-I142 PolarHBondContact NH1-O 2.95Å; R93-I142 PolarHBondContact NH2-O 3.26Å; R93-E145 IonicContact CZ-OE2 2.76Å; R93-E145 IonicContact NH1-OE2 3.86Å; R93-E145 PolarHBondContact NH1-OE2 2.9Å |
| 94 | T | 96.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 156 | 164.7 | 59.5 | 0 | 0 | 0 | 0 | 109.3 | Y15 Y33 A71 W96 D104 L105 | Y15-T94 HydrophobicContact CD2-CG2 3.97Å; Y15-T94 HydrophobicContact CE2-CG2 3.77Å; Y33-T94 HydrophobicContact CE2-CG2 3.9Å; Y33-T94 VanDerWaalsContact CZ-OG1 3.32Å; Y33-T94 PolarHBondContact OH-OG1 2.99Å; A71-T94 HydrophobicContact CB-CG2 3.89Å; T94-W96 PolarHBondContact OG1-NE1 3.27Å; T94-D104 WeakPolarHBondContact O-CA 3.48Å; T94-L105 PolarHBondContact N-O 2.85Å; T94-L105 PolarHBondContact O-N 3.48Å |
| 95 | R | 96.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.2 | -175.7 | 174 | 175.1 | -71.3 | -153.2 | -15.2 | 110.7 | Y45 F47 F52 D104 E148 L150 | Y45-R95 HydrophobicContact CD1-CB 4.39Å; Y45-R95 HydrophobicContact CD1-CG 4.35Å; Y45-R95 HydrophobicContact CG-CB 4.28Å; Y45-R95 HydrophobicContact CG-CG 3.98Å; Y45-R95 PolarHBondContact N-O 2.8Å; F47-R95 HydrophobicContact CE1-CB 4.29Å; F47-R95 HydrophobicContact CE2-CB 4.25Å; F47-R95 HydrophobicContact CZ-CB 3.61Å; F52-R95 HydrophobicContact CE1-CG 4.11Å; F52-R95 HydrophobicContact CZ-CG 4.02Å; R95-D104 WeakPolarHBondContact CB-OD1 2.9Å; R95-D104 WeakPolarHBondContact CG-OD1 3.46Å; R95-D104 IonicContact CZ-OD1 3.38Å; R95-D104 IonicContact CZ-OD2 2.7Å; R95-D104 IonicContact NE-OD1 2.75Å; R95-D104 PolarHBondContact NE-OD1 3.21Å; R95-D104 IonicContact NE-OD2 3.53Å; R95-D104 IonicContact NH2-OD1 3.53Å; R95-D104 PolarHBondContact NH2-OD1 3.02Å; R95-D104 IonicContact NH2-OD2 2.74Å; R95-D104 PolarHBondContact NH2-OD2 2.77Å; R95-E148 VanDerWaalsContact CZ-O 3.25Å; R95-E148 PolarHBondContact NH1-O 3.38Å; R95-E148 PolarHBondContact NH2-O 2.71Å; R95-L150 HydrophobicContact CG-CD1 3.88Å; R95-L150 VanDerWaalsContact CZ-CD1 3.41Å |
| 96 | W | 96.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 3% | 0.034 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.8 | -167.3 | -63.6 | 86.3 | 0 | 0 | 0 | 111.5 | R13 Y33 I35 V42 L43 E44 V55 T94 N102 F103 | R13-W96 HydrophobicContact CB-CH2 3.9Å; R13-W96 HydrophobicContact CB-CZ2 4.35Å; R13-W96 HydrophobicContact CG-CH2 3.72Å; Y33-W96 HydrophobicContact CD1-CZ2 4.16Å; Y33-W96 HydrophobicContact CD2-CH2 4.2Å; Y33-W96 AromaticContact CD2-CZ2 3.47Å; Y33-W96 HydrophobicContact CD2-CZ2 3.47Å; Y33-W96 VanDerWaalsContact CD2-CZ2 3.47Å; Y33-W96 AromaticContact CE2-CZ2 3.9Å; Y33-W96 HydrophobicContact CE2-CZ2 3.9Å; Y33-W96 HydrophobicContact CG-CH2 4.13Å; Y33-W96 AromaticContact CG-CZ2 3.59Å; Y33-W96 HydrophobicContact CG-CZ2 3.59Å; I35-W96 HydrophobicContact CD1-CH2 4.39Å; I35-W96 HydrophobicContact CD1-CZ3 4.01Å; V42-W96 HydrophobicContact CG1-CE3 4.05Å; V42-W96 HydrophobicContact CG1-CZ3 4.01Å; L43-W96 WeakPolarHBondContact O-CA 3Å; E44-W96 HydrophobicContact CB-CE3 4.38Å; E44-W96 HydrophobicContact CB-CZ3 4.27Å; V55-W96 HydrophobicContact CG2-CZ3 3.95Å; T94-W96 PolarHBondContact OG1-NE1 3.27Å; W96-N102 VanDerWaalsContact O-CA 3.28Å; W96-N102 WeakPolarHBondContact O-CA 3.31Å; W96-F103 HydrophobicContact CB-CE1 4.43Å; W96-F103 HydrophobicContact CB-CE2 4.02Å; W96-F103 HydrophobicContact CB-CZ 3.96Å; W96-F103 PolarHBondContact N-O 2.86Å; W96-F103 PolarHBondContact O-N 2.66Å |
| 97 | S | 92.9 | Very high | 93 | Very high | 10 Ų | 10 | 23.5 Ų | 23.5 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115 | 165.8 | -167.7 | 0 | 0 | 0 | 0 | 109.5 | L43 C101 N102 | L43-S97 PolarHBondContact N-O 2.73Å; L43-S97 PolarHBondContact O-N 2.95Å; S97-C101 WeakPolarHBondContact CA-O 3.22Å; S97-N102 WeakPolarHBondContact CB-OD1 3.14Å; S97-N102 PolarHBondContact OG-OD1 2.85Å |
| 98 | L | 89.8 | Confident | 93.5 | Very high | 39 Ų | 39 | 22.8 Ų | 22.8 | 20% | 0.204 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.4 | 174.8 | -55.5 | -171.9 | 0 | 0 | 0 | 109.1 | V42 S100 C101 F103 L319 | V42-L98 HydrophobicContact CB-CD2 3.93Å; V42-L98 HydrophobicContact CG1-CD2 3.51Å; V42-L98 HydrophobicContact CG2-CD2 3.73Å; L98-S100 PolarHBondContact O-N 3.2Å; L98-S100 VanDerWaalsContact O-N 3.12Å; L98-C101 PolarHBondContact N-O 3.49Å; L98-C101 WeakPolarHBondContact O-CB 3.44Å; L98-C101 PolarHBondContact O-N 2.81Å; L98-F103 HydrophobicContact CB-CE1 4.1Å; L98-F103 HydrophobicContact CD1-CE1 4.08Å; L98-F103 HydrophobicContact CD1-CZ 3.71Å; L98-F103 HydrophobicContact CG-CE1 3.86Å; L98-F103 HydrophobicContact CG-CZ 3.84Å; L98-L319 HydrophobicContact CB-CD2 3.83Å; L98-L319 HydrophobicContact CD1-CD2 4.48Å |
| 99 | S | 78.8 | Confident | 93.8 | Very high | 46 Ų | 46 | 17.7 Ų | 17.7 | 32% | 0.322 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 37 | 178.7 | -58.6 | 0 | 0 | 0 | 0 | 113.8 | C101 | S99-C101 PolarHBondContact O-N 2.69Š|
| 100 | S | 77.9 | Confident | 93.9 | Very high | 73 Ų | 73 | 16.3 Ų | 16.3 | 51% | 0.51 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 17.3 | -175.2 | -48.6 | 0 | 0 | 0 | 0 | 115.4 | L98 S328 | L98-S100 PolarHBondContact O-N 3.2Å; L98-S100 VanDerWaalsContact O-N 3.12Å; S100-S328 WeakPolarHBondContact O-CA 3.42Å |
| 101 | C | 85.9 | Confident | 93.9 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.9 | 169.6 | -55.3 | 0 | 0 | 0 | 0 | 108.4 | S97 L98 S99 L319 N325 | S97-C101 WeakPolarHBondContact CA-O 3.22Å; L98-C101 PolarHBondContact N-O 3.49Å; L98-C101 WeakPolarHBondContact O-CB 3.44Å; L98-C101 PolarHBondContact O-N 2.81Å; S99-C101 PolarHBondContact O-N 2.69Å; C101-L319 HydrophobicContact CB-CD1 4.49Å; C101-L319 HydrophobicContact CB-CD2 4.16Å; C101-N325 PolarHBondContact SG-ND2 3.5Å |
| 102 | N | 91 | Very high | 93.9 | Very high | 46 Ų | 46 | 19.8 Ų | 19.8 | 25% | 0.246 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.4 | 176.8 | -59.5 | -16.6 | 0 | 0 | 0 | 109.2 | F52 W96 S97 L150 | F52-N102 HydrophobicContact CZ-CB 4.09Å; W96-N102 VanDerWaalsContact O-CA 3.28Å; W96-N102 WeakPolarHBondContact O-CA 3.31Å; S97-N102 WeakPolarHBondContact CB-OD1 3.14Å; S97-N102 PolarHBondContact OG-OD1 2.85Å; N102-L150 HydrophobicContact CB-CD1 3.67Å; N102-L150 HydrophobicContact CB-CD2 3.92Å; N102-L150 HydrophobicContact CB-CG 4.44Å |
| 103 | F | 94.1 | Very high | 93.9 | Very high | 17 Ų | 17 | 20 Ų | 20 | 8% | 0.075 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 160.8 | 178.5 | 58.4 | -89 | 0 | 0 | 0 | 111.6 | W96 L98 L105 P151 F153 L319 | W96-F103 HydrophobicContact CB-CE1 4.43Å; W96-F103 HydrophobicContact CB-CE2 4.02Å; W96-F103 HydrophobicContact CB-CZ 3.96Å; W96-F103 PolarHBondContact N-O 2.86Å; W96-F103 PolarHBondContact O-N 2.66Å; L98-F103 HydrophobicContact CB-CE1 4.1Å; L98-F103 HydrophobicContact CD1-CE1 4.08Å; L98-F103 HydrophobicContact CD1-CZ 3.71Å; L98-F103 HydrophobicContact CG-CE1 3.86Å; L98-F103 HydrophobicContact CG-CZ 3.84Å; F103-L105 HydrophobicContact CD2-CD2 3.97Å; F103-L105 HydrophobicContact CD2-CG 4.06Å; F103-L105 HydrophobicContact CE2-CD1 4.1Å; F103-L105 HydrophobicContact CE2-CD2 3.82Å; F103-L105 HydrophobicContact CE2-CG 3.79Å; F103-P151 CarbonylContact C-O 3.46Å; F103-P151 WeakPolarHBondContact CA-O 3.38Å; F103-P151 HydrophobicContact CB-CB 4.3Å; F103-P151 VanDerWaalsContact CB-O 3.3Å; F103-P151 WeakPolarHBondContact CB-O 3.39Å; F103-F153 HydrophobicContact CB-CE2 4.18Å; F103-F153 HydrophobicContact CD2-CD2 4.02Å; F103-F153 AromaticContact CD2-CE2 4Å; F103-F153 HydrophobicContact CD2-CE2 4Å; F103-F153 HydrophobicContact CG-CE2 4.15Å; F103-L319 HydrophobicContact CE1-CD2 4.12Å |
| 104 | D | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 142.6 | 174 | -64.5 | -49.7 | 0 | 0 | 0 | 111.6 | R93 T94 R95 V106 P151 F152 F153 | R93-D104 HydrophobicContact CG-CB 4.43Å; R93-D104 IonicContact CZ-OD1 2.76Å; R93-D104 IonicContact CZ-OD2 3.55Å; R93-D104 VanDerWaalsContact NE-CG 3.26Å; R93-D104 IonicContact NE-OD1 3.17Å; R93-D104 PolarHBondContact NE-OD1 2.87Å; R93-D104 IonicContact NE-OD2 3.31Å; R93-D104 PolarHBondContact NE-OD2 2.76Å; R93-D104 IonicContact NH2-OD1 2.69Å; R93-D104 IonicContact NH2-OD2 3.06Å; R93-D104 PolarHBondContact NH2-OD2 2.88Å; T94-D104 WeakPolarHBondContact O-CA 3.48Å; R95-D104 WeakPolarHBondContact CB-OD1 2.9Å; R95-D104 WeakPolarHBondContact CG-OD1 3.46Å; R95-D104 IonicContact CZ-OD1 3.38Å; R95-D104 IonicContact CZ-OD2 2.7Å; R95-D104 IonicContact NE-OD1 2.75Å; R95-D104 PolarHBondContact NE-OD1 3.21Å; R95-D104 IonicContact NE-OD2 3.53Å; R95-D104 IonicContact NH2-OD1 3.53Å; R95-D104 PolarHBondContact NH2-OD1 3.02Å; R95-D104 IonicContact NH2-OD2 2.74Å; R95-D104 PolarHBondContact NH2-OD2 2.77Å; D104-V106 HydrophobicContact CB-CG2 4.28Å; D104-P151 PolarHBondContact N-O 2.6Å; D104-F152 HydrophobicContact CB-CB 3.78Å; D104-F152 WeakPolarHBondContact O-CA 3.47Å; D104-F153 PolarHBondContact O-N 3.09Å |
| 105 | L | 98.2 | Very high | 93.9 | Very high | 32 Ų | 32 | 22.8 Ų | 22.8 | 17% | 0.168 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.6 | 169.4 | -67.5 | -175.8 | 0 | 0 | 0 | 107.6 | Y33 R93 T94 F103 F153 F155 | Y33-L105 HydrophobicContact CD1-CD1 4.06Å; Y33-L105 HydrophobicContact CE1-CB 4.32Å; Y33-L105 HydrophobicContact CE1-CD1 3.47Å; Y33-L105 VanDerWaalsContact CE1-CD1 3.47Å; R93-L105 WeakPolarHBondContact CA-O 3.18Å; T94-L105 PolarHBondContact N-O 2.85Å; T94-L105 PolarHBondContact O-N 3.48Å; F103-L105 HydrophobicContact CD2-CD2 3.97Å; F103-L105 HydrophobicContact CD2-CG 4.06Å; F103-L105 HydrophobicContact CE2-CD1 4.1Å; F103-L105 HydrophobicContact CE2-CD2 3.82Å; F103-L105 HydrophobicContact CE2-CG 3.79Å; L105-F153 HydrophobicContact CD2-CB 3.85Å; L105-F153 HydrophobicContact CD2-CD2 3.99Å; L105-F153 HydrophobicContact CD2-CG 4.11Å; L105-F155 HydrophobicContact CB-CE1 3.91Å |
| 106 | V | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 106.2 | -173 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | F91 I92 R93 D104 V108 V138 I142 F153 L154 F155 | F91-V106 HydrophobicContact CB-CG1 4.2Å; F91-V106 HydrophobicContact CD2-CG1 3.89Å; F91-V106 HydrophobicContact CG-CG1 4.38Å; I92-V106 CarbonylContact O-C 3.49Å; I92-V106 VanDerWaalsContact O-CA 3.31Å; I92-V106 WeakPolarHBondContact O-CA 3.01Å; R93-V106 HydrophobicContact CB-CG2 4.23Å; R93-V106 HydrophobicContact CG-CG2 4.12Å; D104-V106 HydrophobicContact CB-CG2 4.28Å; V106-V108 HydrophobicContact CG1-CG2 3.9Å; V106-V138 HydrophobicContact CG1-CG1 4.14Å; V106-I142 HydrophobicContact CG2-CD1 4.47Å; V106-I142 HydrophobicContact CG2-CG2 4.27Å; V106-F153 PolarHBondContact N-O 3.39Å; V106-L154 HydrophobicContact CB-CD2 3.5Å; V106-L154 VanDerWaalsContact CB-CD2 3.5Å; V106-L154 HydrophobicContact CG1-CD2 3.8Å; V106-L154 HydrophobicContact CG2-CD2 3.86Å; V106-L154 CarbonylContact O-C 3.53Å; V106-L154 WeakPolarHBondContact O-CA 3.25Å; V106-F155 PolarHBondContact O-N 3.08Å |
| 107 | N | 98.6 | Very high | 94 | Very high | 19 Ų | 19 | 22.9 Ų | 22.9 | 10% | 0.102 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 123 | 172.1 | -174.3 | -0.8 | 0 | 0 | 0 | 109.4 | G30 C31 F91 I92 F155 | G30-N107 PolarHBondContact O-ND2 3.13Å; C31-N107 WeakPolarHBondContact SG-CB 3.37Å; F91-N107 CarbonylContact C-O 3.24Å; F91-N107 WeakPolarHBondContact CA-O 3.27Å; F91-N107 WeakPolarHBondContact CB-O 3.49Å; I92-N107 PolarHBondContact N-O 2.82Å; I92-N107 PolarHBondContact O-N 2.91Å; N107-F155 CarbonylContact C-O 3.51Å; N107-F155 VanDerWaalsContact CA-O 3.25Å; N107-F155 WeakPolarHBondContact CA-O 3.42Å; N107-F155 HydrophobicContact CB-CD2 4.22Å; N107-F155 HydrophobicContact CB-CE2 3.57Å; N107-F155 HydrophobicContact CB-CZ 3.79Å; N107-F155 PolarHBondContact OD1-O 3.1Å |
| 108 | V | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.8 | -176.5 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | F76 F91 V106 L110 V138 L154 F155 G156 D157 | F76-V108 HydrophobicContact CZ-CG1 4.35Å; F91-V108 HydrophobicContact CB-CG2 4.07Å; V106-V108 HydrophobicContact CG1-CG2 3.9Å; V108-L110 HydrophobicContact CG1-CD2 3.33Å; V108-L110 HydrophobicContact CG1-CG 3.73Å; V108-V138 HydrophobicContact CG1-CG2 4.26Å; V108-V138 HydrophobicContact CG2-CG1 4.12Å; V108-V138 HydrophobicContact CG2-CG2 4.45Å; V108-L154 HydrophobicContact CG2-CD2 4.46Å; V108-F155 PolarHBondContact N-O 3.34Å; V108-G156 CarbonylContact O-C 3.59Å; V108-G156 WeakPolarHBondContact O-CA 3.14Å; V108-D157 PolarHBondContact O-N 3.4Å; V108-D157 VanDerWaalsContact O-N 3.08Å |
| 109 | H | 98.6 | Very high | 94.5 | Very high | 45 Ų | 45 | 22.3 Ų | 22.3 | 21% | 0.208 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 100.2 | 170.1 | -174.7 | 177.8 | 0 | 0 | 0 | 109.4 | L29 F76 K89 G90 D157 | L29-H109 HydrophobicContact CD1-CB 4.43Å; L29-H109 HydrophobicContact CD2-CB 3.67Å; L29-H109 HydrophobicContact CG-CB 4.29Å; F76-H109 WeakPolarHBondContact CE2-O 3.38Å; K89-H109 WeakPolarHBondContact CA-O 3.09Å; K89-H109 WeakPolarHBondContact CB-O 3.4Å; K89-H109 PolarHBondContact NZ-CD2 3Å; K89-H109 PolarHBondContact NZ-CE1 3.01Å; K89-H109 VanDerWaalsContact NZ-CE1 3.27Å; K89-H109 PolarHBondContact NZ-NE2 2.82Å; G90-H109 PolarHBondContact N-O 2.83Å; G90-H109 VanDerWaalsContact N-O 3.14Å; G90-H109 PolarHBondContact O-N 2.79Å; H109-D157 CarbonylContact C-O 3.51Å; H109-D157 VanDerWaalsContact CA-O 3.29Å; H109-D157 WeakPolarHBondContact CA-O 3.42Å; H109-D157 IonicContact CD2-OD2 2.72Å; H109-D157 PolarHBondContact CD2-OD2 3.02Å; H109-D157 IonicContact NE2-OD2 3.16Å; H109-D157 PolarHBondContact NE2-OD2 2.64Å; H109-D157 VanDerWaalsContact NE2-OD2 3.14Å |
| 110 | L | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -84.9 | 174.7 | -176 | -56.2 | -175.1 | 0 | 0 | 0 | 112.4 | F76 K89 V108 R131 A134 M135 D157 F158 N159 F160 | F76-L110 HydrophobicContact CE2-CD2 3.7Å; F76-L110 HydrophobicContact CZ-CD2 3.59Å; K89-L110 WeakPolarHBondContact CD-O 3.26Å; K89-L110 WeakPolarHBondContact CE-O 3.43Å; V108-L110 HydrophobicContact CG1-CD2 3.33Å; V108-L110 HydrophobicContact CG1-CG 3.73Å; L110-R131 HydrophobicContact CB-CG 4.1Å; L110-R131 HydrophobicContact CD1-CB 4.28Å; L110-A134 HydrophobicContact CD2-CB 3.94Å; L110-M135 HydrophobicContact CD1-CB 4.33Å; L110-D157 PolarHBondContact N-O 3.28Å; L110-F158 VanDerWaalsContact CB-O 3.29Å; L110-F158 WeakPolarHBondContact CB-O 3.33Å; L110-F158 HydrophobicContact CD1-CB 4.23Å; L110-F158 HydrophobicContact CD1-CD1 3.89Å; L110-F158 HydrophobicContact CD1-CG 4.42Å; L110-F158 WeakPolarHBondContact CD1-O 3.23Å; L110-N159 PolarHBondContact O-ND2 3.26Å; L110-F160 HydrophobicContact CD1-CE1 3.9Å | ||
| 111 | F | 97.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 136.7 | -177 | -62.9 | -80.4 | 0 | 0 | 0 | 112.9 | F76 F80 F81 S87 K89 I130 R131 A134 N159 | F76-F111 HydrophobicContact CB-CE2 3.79Å; F76-F111 HydrophobicContact CB-CZ 3.61Å; F76-F111 HydrophobicContact CD2-CD2 4.28Å; F76-F111 AromaticContact CD2-CE2 3.68Å; F76-F111 HydrophobicContact CD2-CE2 3.68Å; F76-F111 HydrophobicContact CD2-CZ 4.01Å; F76-F111 AromaticContact CG-CE2 3.98Å; F76-F111 HydrophobicContact CG-CE2 3.98Å; F76-F111 HydrophobicContact CG-CZ 4.21Å; F80-F111 HydrophobicContact CB-CE2 3.9Å; F80-F111 HydrophobicContact CB-CZ 4.05Å; F80-F111 HydrophobicContact CD2-CE2 4.36Å; F81-F111 HydrophobicContact CB-CD1 4.01Å; F81-F111 HydrophobicContact CB-CE1 3.88Å; F81-F111 HydrophobicContact CB-CG 4.47Å; F81-F111 HydrophobicContact CB-CZ 4.3Å; F81-F111 HydrophobicContact CD1-CB 4.1Å; F81-F111 AromaticContact CD1-CD1 3.62Å; F81-F111 HydrophobicContact CD1-CD1 3.62Å; F81-F111 HydrophobicContact CD1-CE1 4.26Å; F81-F111 HydrophobicContact CD1-CG 4.09Å; F81-F111 HydrophobicContact CG-CD1 4.33Å; S87-F111 VanDerWaalsContact OG-CE1 3.31Å; S87-F111 WeakPolarHBondContact OG-CE1 3.48Å; K89-F111 HydrophobicContact CB-CD1 3.99Å; K89-F111 HydrophobicContact CB-CE1 3.98Å; K89-F111 HydrophobicContact CB-CG 4.43Å; K89-F111 HydrophobicContact CB-CZ 4.34Å; K89-F111 HydrophobicContact CG-CD1 3.66Å; K89-F111 HydrophobicContact CG-CE1 4.07Å; K89-F111 HydrophobicContact CG-CG 4.2Å; F111-I130 HydrophobicContact CB-CG2 3.9Å; F111-I130 HydrophobicContact CD2-CG2 3.49Å; F111-I130 VanDerWaalsContact CD2-CG2 3.49Å; F111-I130 HydrophobicContact CE2-CG2 4.12Å; F111-I130 HydrophobicContact CG-CG2 3.81Å; F111-R131 VanDerWaalsContact O-CD 3.3Å; F111-R131 WeakPolarHBondContact O-CD 3.42Å; F111-R131 VanDerWaalsContact O-CG 3.26Å; F111-R131 WeakPolarHBondContact O-CG 3.34Å; F111-R131 PolarHBondContact O-NH1 2.63Å; F111-R131 VanDerWaalsContact O-NH1 3.12Å; F111-A134 HydrophobicContact CD2-CB 3.9Å; F111-A134 HydrophobicContact CE2-CB 3.88Å; F111-N159 WeakPolarHBondContact O-CB 3.42Å |
| 112 | H | 95.5 | Very high | 96.7 | Very high | 67 Ų | 67 | 27.2 Ų | 27.2 | 31% | 0.31 | 14% | 0.136 | S | C | . | . | P | Polyproline II helix | trans | -86 | 164.5 | 177.1 | 68 | 79.9 | 0 | 0 | 0 | 111.6 | A114 N159 | H112-A114 PolarHBondContact O-N 3.12Å; H112-N159 WeakPolarHBondContact CB-OD1 3.17Å |
| 113 | D | 96.3 | Very high | 97 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 119.4 | 168.9 | -60.6 | 1.6 | 0 | 0 | 0 | 110.3 | A119 Y127 R131 R161 R268 | D113-A119 HydrophobicContact CB-CB 4.45Å; D113-A119 WeakPolarHBondContact OD2-CB 3.3Å; D113-Y127 HydrophobicContact CB-CD2 3.61Å; D113-Y127 HydrophobicContact CB-CE2 3.95Å; D113-Y127 HydrophobicContact CB-CG 4.16Å; D113-Y127 WeakPolarHBondContact OD1-CB 3.47Å; D113-R131 IonicContact OD1-CZ 3.23Å; D113-R131 IonicContact OD1-NH1 3.25Å; D113-R131 PolarHBondContact OD1-NH1 3.14Å; D113-R131 IonicContact OD1-NH2 3.84Å; D113-R131 PolarHBondContact OD1-NH2 2.94Å; D113-R161 VanDerWaalsContact CG-NH1 3.28Å; D113-R161 IonicContact OD1-NH1 3.73Å; D113-R161 IonicContact OD2-NH1 3.26Å; D113-R161 PolarHBondContact OD2-NH1 3.36Å; D113-R161 VanDerWaalsContact OD2-NH1 3.15Å; D113-R268 PolarHBondContact O-NH2 3.44Å |
| 114 | A | 95.3 | Very high | 97.1 | Very high | 32 Ų | 32 | 31.1 Ų | 31.1 | 26% | 0.264 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -78.7 | -23.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | F81 H112 Y127 | F81-A114 HydrophobicContact CZ-CB 3.86Å; H112-A114 PolarHBondContact O-N 3.12Å; A114-Y127 HydrophobicContact CB-CE1 4.23Å |
| 115 | H | 95.9 | Very high | 97.1 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 14% | 0.139 | 17% | 0.171 | C | C | . | . | trans | -149.5 | 113.2 | -172.4 | -165.2 | -45.7 | 0 | 0 | 0 | 111.9 | V117 V118 A119 Y127 K208 | H115-V117 PolarHBondContact ND1-N 3.37Å; H115-V117 PolarHBondContact O-N 3.08Å; H115-V118 HydrophobicContact CB-CB 3.98Å; H115-V118 HydrophobicContact CB-CG2 3.77Å; H115-V118 PolarHBondContact O-N 3.18Å; H115-A119 PolarHBondContact O-N 2.74Å; H115-Y127 WeakPolarHBondContact CB-OH 3.25Å; H115-Y127 PolarHBondContact N-OH 3.36Å; H115-Y127 WeakPolarHBondContact O-CE2 3.24Å; H115-K208 WeakPolarHBondContact CA-O 3.48Å; H115-K208 HydrophobicContact CB-CG 4.27Å; H115-K208 VanDerWaalsContact CD2-CG 3.43Å; H115-K208 WeakPolarHBondContact CD2-CG 3.06Å; H115-K208 VanDerWaalsContact CE1-CA 3.48Å; H115-K208 WeakPolarHBondContact CE1-CA 3.5Å | ||
| 116 | N | 97.8 | Very high | 97 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.064 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | -173.8 | -59.1 | -20.9 | 0 | 0 | 0 | 113 | V118 A119 W120 V206 E207 K208 S210 T267 R268 | N116-V118 VanDerWaalsContact C-N 3.3Å; N116-V118 PolarHBondContact O-N 3.14Å; N116-A119 WeakPolarHBondContact O-CB 3.13Å; N116-A119 PolarHBondContact O-N 3.41Å; N116-A119 VanDerWaalsContact O-N 3.13Å; N116-W120 PolarHBondContact O-N 2.84Å; N116-W120 VanDerWaalsContact O-N 3.09Å; N116-V206 HydrophobicContact CB-CG1 3.36Å; N116-E207 WeakPolarHBondContact CB-O 3.14Å; N116-E207 PolarHBondContact ND2-O 3.04Å; N116-K208 PolarHBondContact N-O 3.01Å; N116-K208 VanDerWaalsContact N-O 3.1Å; N116-S210 PolarHBondContact ND2-N 3.46Å; N116-S210 PolarHBondContact ND2-O 3.35Å; N116-T267 PolarHBondContact ND2-O 3.22Å; N116-R268 WeakPolarHBondContact OD1-CD 3.33Å; N116-R268 PolarHBondContact OD1-NE 2.6Å; N116-R268 VanDerWaalsContact OD1-NE 3.12Å |
| 117 | V | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -37.6 | 176.6 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | H115 A119 W120 K121 V188 D189 I191 V206 | H115-V117 PolarHBondContact ND1-N 3.37Å; H115-V117 PolarHBondContact O-N 3.08Å; V117-A119 VanDerWaalsContact C-N 3.35Å; V117-W120 PolarHBondContact O-N 3.2Å; V117-K121 WeakPolarHBondContact O-CG 3.45Å; V117-K121 PolarHBondContact O-N 2.87Å; V117-K121 VanDerWaalsContact O-N 3.16Å; V117-V188 HydrophobicContact CG1-CB 4.13Å; V117-V188 HydrophobicContact CG1-CG1 3.76Å; V117-V188 WeakPolarHBondContact CG1-O 3.35Å; V117-D189 WeakPolarHBondContact CG2-O 3.26Å; V117-I191 HydrophobicContact CB-CD1 4.04Å; V117-I191 HydrophobicContact CG1-CD1 3.82Å; V117-I191 HydrophobicContact CG1-CG1 3.98Å; V117-I191 HydrophobicContact CG2-CD1 3.93Å; V117-I191 HydrophobicContact CG2-CG1 4.15Å; V117-V206 HydrophobicContact CG2-CG1 4.32Å |
| 118 | V | 96.6 | Very high | 97 | Very high | 36 Ų | 36 | 33.8 Ų | 33.8 | 22% | 0.218 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -38.4 | 175.7 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | H115 N116 W120 K121 Y126 Y127 | H115-V118 HydrophobicContact CB-CB 3.98Å; H115-V118 HydrophobicContact CB-CG2 3.77Å; H115-V118 PolarHBondContact O-N 3.18Å; N116-V118 VanDerWaalsContact C-N 3.3Å; N116-V118 PolarHBondContact O-N 3.14Å; V118-W120 PolarHBondContact O-N 2.78Å; V118-K121 PolarHBondContact O-N 2.9Å; V118-Y126 HydrophobicContact CG1-CD1 4.38Å; V118-Y127 HydrophobicContact CB-CE2 4.01Å; V118-Y127 HydrophobicContact CG1-CE2 3.98Å |
| 119 | A | 97.1 | Very high | 97 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -32.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D113 H115 N116 V117 S125 Y127 T164 | D113-A119 HydrophobicContact CB-CB 4.45Å; D113-A119 WeakPolarHBondContact OD2-CB 3.3Å; H115-A119 PolarHBondContact O-N 2.74Å; N116-A119 WeakPolarHBondContact O-CB 3.13Å; N116-A119 PolarHBondContact O-N 3.41Å; N116-A119 VanDerWaalsContact O-N 3.13Å; V117-A119 VanDerWaalsContact C-N 3.35Å; A119-S125 WeakPolarHBondContact O-CB 3.48Å; A119-Y127 HydrophobicContact CB-CD2 3.87Å; A119-Y127 HydrophobicContact CB-CE2 4.13Å; A119-T164 PolarHBondContact O-OG1 2.82Å |
| 120 | W | 97.5 | Very high | 96.9 | Very high | 12 Ų | 12 | 33.5 Ų | 33.5 | 5% | 0.045 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -83.5 | -20.3 | 178.1 | 169.9 | 89.3 | 0 | 0 | 0 | 114.6 | N116 V117 V118 E122 T164 R165 F168 L178 T180 I191 Y193 | N116-W120 PolarHBondContact O-N 2.84Å; N116-W120 VanDerWaalsContact O-N 3.09Å; V117-W120 PolarHBondContact O-N 3.2Å; V118-W120 PolarHBondContact O-N 2.78Å; W120-E122 PolarHBondContact O-N 2.88Å; W120-T164 WeakPolarHBondContact CA-OG1 3.29Å; W120-R165 WeakPolarHBondContact O-CB 3.28Å; W120-R165 VanDerWaalsContact O-CD 3.24Å; W120-R165 WeakPolarHBondContact O-CD 3.42Å; W120-F168 AromaticContact CD1-CD2 3.31Å; W120-F168 AromaticContact CD1-CE2 3.75Å; W120-F168 HydrophobicContact CG-CD2 4.3Å; W120-F168 HydrophobicContact CG-CE2 4.4Å; W120-F168 AromaticContact NE1-CD2 3.71Å; W120-L178 HydrophobicContact CH2-CD1 4.16Å; W120-L178 HydrophobicContact CH2-CD2 3.91Å; W120-L178 HydrophobicContact CZ2-CD1 3.98Å; W120-L178 HydrophobicContact CZ2-CD2 3.82Å; W120-T180 HydrophobicContact CH2-CG2 4.26Å; W120-I191 HydrophobicContact CB-CD1 3.8Å; W120-I191 HydrophobicContact CD2-CD1 3.28Å; W120-I191 HydrophobicContact CD2-CG1 4.15Å; W120-I191 HydrophobicContact CE3-CD1 3.22Å; W120-I191 HydrophobicContact CE3-CG1 3.82Å; W120-I191 HydrophobicContact CG-CD1 3.57Å; W120-I191 HydrophobicContact CH2-CD1 4.41Å; W120-I191 HydrophobicContact CH2-CG1 4.25Å; W120-I191 HydrophobicContact CH2-CG2 4.32Å; W120-I191 HydrophobicContact CZ2-CD1 4.49Å; W120-I191 HydrophobicContact CZ2-CG2 4.06Å; W120-I191 HydrophobicContact CZ3-CD1 3.83Å; W120-I191 HydrophobicContact CZ3-CG1 3.87Å; W120-Y193 WeakPolarHBondContact CZ2-OH 3.46Å; W120-Y193 PolarHBondContact NE1-OH 3.24Å; W120-Y193 VanDerWaalsContact NE1-OH 3.12Å |
| 121 | K | 95.8 | Very high | 96.9 | Very high | 93 Ų | 93 | 33.5 Ų | 33.5 | 40% | 0.404 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.8 | -31.1 | -172.3 | -83.6 | 175.7 | -174.6 | -178.4 | 0 | 113.7 | V117 V118 | V117-K121 WeakPolarHBondContact O-CG 3.45Å; V117-K121 PolarHBondContact O-N 2.87Å; V117-K121 VanDerWaalsContact O-N 3.16Å; V118-K121 PolarHBondContact O-N 2.9Å |
| 122 | E | 95.8 | Very high | 96.9 | Very high | 117 Ų | 117 | 39.7 Ų | 39.7 | 55% | 0.547 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -133.7 | 150.1 | -173.9 | -63.8 | 175.4 | 176.6 | 0 | 0 | 109.8 | W120 P124 S125 | W120-E122 PolarHBondContact O-N 2.88Å; E122-P124 CarbonylContact C-O 3.43Å; E122-P124 CarbonylContact O-C 3.47Å; E122-S125 WeakPolarHBondContact O-CA 3.29Å; E122-S125 PolarHBondContact O-N 3.05Å |
| 123 | S | 96.4 | Very high | 97 | Very high | 51 Ų | 51 | 42.5 Ų | 42.5 | 36% | 0.357 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -122.1 | 119.9 | 169.8 | 160.2 | 0 | 0 | 0 | 0 | 108.6 | D163 E166 | S123-D163 WeakPolarHBondContact CB-OD1 3.35Å; S123-D163 WeakPolarHBondContact CB-OD2 3.33Å; S123-D163 PolarHBondContact OG-OD2 2.76Å; S123-E166 PolarHBondContact OG-OE1 3.13Å |
| 124 | P | 96.3 | Very high | 97.1 | Very high | 94 Ų | 94 | 42.3 Ų | 42.3 | 61% | 0.61 | 22% | 0.22 | S | C | * | . | S | Bend | cis | -66 | 161.6 | -9.5 | 30.9 | -35.2 | 0 | 0 | 0 | 111.8 | E122 A128 | E122-P124 CarbonylContact C-O 3.43Å; E122-P124 CarbonylContact O-C 3.47Å; P124-A128 HydrophobicContact CB-CB 4.4Å |
| 125 | S | 97.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | trans | -64.8 | 153.1 | -177.5 | 77.7 | 0 | 0 | 0 | 0 | 113.7 | A119 E122 Y127 A128 G129 | A119-S125 WeakPolarHBondContact O-CB 3.48Å; E122-S125 WeakPolarHBondContact O-CA 3.29Å; E122-S125 PolarHBondContact O-N 3.05Å; S125-Y127 PolarHBondContact O-N 2.9Å; S125-A128 WeakPolarHBondContact O-CB 3.17Å; S125-A128 PolarHBondContact O-N 2.83Å; S125-A128 VanDerWaalsContact O-N 3.08Å; S125-A128 WeakPolarHBondContact OG-CB 3.17Å; S125-A128 PolarHBondContact OG-N 3.27Å; S125-G129 PolarHBondContact O-N 2.69Å | ||
| 126 | Y | 96.7 | Very high | 97.3 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 30% | 0.302 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -50.5 | -40.9 | 170.4 | 170.7 | -102.1 | 0 | 0 | 0 | 112.9 | F81 Q83 V118 G129 I130 | F81-Y126 HydrophobicContact CE2-CE1 4.39Å; Q83-Y126 PolarHBondContact NE2-OH 3.44Å; V118-Y126 HydrophobicContact CG1-CD1 4.38Å; Y126-G129 PolarHBondContact O-N 3.4Å; Y126-I130 HydrophobicContact CD1-CD1 3.94Å; Y126-I130 HydrophobicContact CE1-CD1 3.3Å; Y126-I130 HydrophobicContact CE1-CG1 4.32Å; Y126-I130 PolarHBondContact O-N 2.66Å |
| 127 | Y | 97.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.8 | -32.4 | -179.5 | -59 | -60.7 | 0 | 0 | 0 | 113 | F81 D113 A114 H115 V118 A119 S125 G129 I130 R131 | F81-Y127 HydrophobicContact CE1-CE1 4.47Å; F81-Y127 HydrophobicContact CE2-CD1 4.22Å; F81-Y127 AromaticContact CE2-CE1 3.78Å; F81-Y127 HydrophobicContact CE2-CE1 3.78Å; F81-Y127 AromaticContact CZ-CD1 3.84Å; F81-Y127 HydrophobicContact CZ-CD1 3.84Å; F81-Y127 AromaticContact CZ-CE1 3.47Å; F81-Y127 HydrophobicContact CZ-CE1 3.47Å; F81-Y127 VanDerWaalsContact CZ-CE1 3.47Å; D113-Y127 HydrophobicContact CB-CD2 3.61Å; D113-Y127 HydrophobicContact CB-CE2 3.95Å; D113-Y127 HydrophobicContact CB-CG 4.16Å; D113-Y127 WeakPolarHBondContact OD1-CB 3.47Å; A114-Y127 HydrophobicContact CB-CE1 4.23Å; H115-Y127 WeakPolarHBondContact CB-OH 3.25Å; H115-Y127 PolarHBondContact N-OH 3.36Å; H115-Y127 WeakPolarHBondContact O-CE2 3.24Å; V118-Y127 HydrophobicContact CB-CE2 4.01Å; V118-Y127 HydrophobicContact CG1-CE2 3.98Å; A119-Y127 HydrophobicContact CB-CD2 3.87Å; A119-Y127 HydrophobicContact CB-CE2 4.13Å; S125-Y127 PolarHBondContact O-N 2.9Å; Y127-G129 VanDerWaalsContact C-N 3.25Å; Y127-G129 PolarHBondContact O-N 3.23Å; Y127-I130 HydrophobicContact CD1-CD1 4.09Å; Y127-I130 WeakPolarHBondContact O-CB 3.19Å; Y127-I130 PolarHBondContact O-N 2.92Å; Y127-I130 VanDerWaalsContact O-N 3.1Å; Y127-R131 PolarHBondContact O-N 2.83Å |
| 128 | A | 98.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -38.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P124 S125 I130 R131 R132 E233 | P124-A128 HydrophobicContact CB-CB 4.4Å; S125-A128 WeakPolarHBondContact O-CB 3.17Å; S125-A128 PolarHBondContact O-N 2.83Å; S125-A128 VanDerWaalsContact O-N 3.08Å; S125-A128 WeakPolarHBondContact OG-CB 3.17Å; S125-A128 PolarHBondContact OG-N 3.27Å; A128-I130 VanDerWaalsContact C-N 3.33Å; A128-I130 PolarHBondContact O-N 3.23Å; A128-R131 PolarHBondContact O-N 3.25Å; A128-R132 WeakPolarHBondContact O-CB 3.09Å; A128-R132 PolarHBondContact O-N 2.96Å; A128-E233 WeakPolarHBondContact CA-OE2 3.16Å; A128-E233 HydrophobicContact CB-CG 3.92Å |
| 129 | G | 97.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.3 | -37 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S125 Y126 Y127 K133 | S125-G129 PolarHBondContact O-N 2.69Å; Y126-G129 PolarHBondContact O-N 3.4Å; Y127-G129 VanDerWaalsContact C-N 3.25Å; Y127-G129 PolarHBondContact O-N 3.23Å; G129-K133 WeakPolarHBondContact O-CG 3.34Å; G129-K133 PolarHBondContact O-N 2.86Å |
| 130 | I | 97.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.7 | -47.1 | 175 | -66.4 | 167.5 | 0 | 0 | 0 | 110.9 | F80 F81 F111 Y126 Y127 A128 R132 K133 A134 | F80-I130 WeakPolarHBondContact O-CG2 3.34Å; F81-I130 HydrophobicContact CB-CD1 4.36Å; F81-I130 HydrophobicContact CB-CG2 4.11Å; F81-I130 HydrophobicContact CD2-CD1 3.53Å; F81-I130 HydrophobicContact CE2-CD1 3.85Å; F81-I130 HydrophobicContact CG-CD1 3.91Å; F81-I130 HydrophobicContact CG-CG2 4.41Å; F81-I130 HydrophobicContact CZ-CD1 4.49Å; F111-I130 HydrophobicContact CB-CG2 3.9Å; F111-I130 HydrophobicContact CD2-CG2 3.49Å; F111-I130 VanDerWaalsContact CD2-CG2 3.49Å; F111-I130 HydrophobicContact CE2-CG2 4.12Å; F111-I130 HydrophobicContact CG-CG2 3.81Å; Y126-I130 HydrophobicContact CD1-CD1 3.94Å; Y126-I130 HydrophobicContact CE1-CD1 3.3Å; Y126-I130 HydrophobicContact CE1-CG1 4.32Å; Y126-I130 PolarHBondContact O-N 2.66Å; Y127-I130 HydrophobicContact CD1-CD1 4.09Å; Y127-I130 WeakPolarHBondContact O-CB 3.19Å; Y127-I130 PolarHBondContact O-N 2.92Å; Y127-I130 VanDerWaalsContact O-N 3.1Å; A128-I130 VanDerWaalsContact C-N 3.33Å; A128-I130 PolarHBondContact O-N 3.23Å; I130-R132 VanDerWaalsContact C-N 3.25Å; I130-R132 PolarHBondContact O-N 2.73Å; I130-K133 PolarHBondContact O-N 3.34Å; I130-A134 PolarHBondContact O-N 2.76Å |
| 131 | R | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -38.3 | 176.4 | -75.2 | -170.8 | -73.3 | -85.3 | 4.6 | 111.5 | L110 F111 D113 Y127 A128 A134 M135 F158 N159 F160 E233 | L110-R131 HydrophobicContact CB-CG 4.1Å; L110-R131 HydrophobicContact CD1-CB 4.28Å; F111-R131 VanDerWaalsContact O-CD 3.3Å; F111-R131 WeakPolarHBondContact O-CD 3.42Å; F111-R131 VanDerWaalsContact O-CG 3.26Å; F111-R131 WeakPolarHBondContact O-CG 3.34Å; F111-R131 PolarHBondContact O-NH1 2.63Å; F111-R131 VanDerWaalsContact O-NH1 3.12Å; D113-R131 IonicContact OD1-CZ 3.23Å; D113-R131 IonicContact OD1-NH1 3.25Å; D113-R131 PolarHBondContact OD1-NH1 3.14Å; D113-R131 IonicContact OD1-NH2 3.84Å; D113-R131 PolarHBondContact OD1-NH2 2.94Å; Y127-R131 PolarHBondContact O-N 2.83Å; A128-R131 PolarHBondContact O-N 3.25Å; R131-A134 PolarHBondContact O-N 2.76Å; R131-M135 WeakPolarHBondContact O-CB 3.25Å; R131-M135 PolarHBondContact O-N 3.5Å; R131-F158 WeakPolarHBondContact CD-O 3.36Å; R131-N159 WeakPolarHBondContact CD-O 3.24Å; R131-N159 PolarHBondContact NE-O 3.01Å; R131-N159 VanDerWaalsContact NE-O 3.17Å; R131-N159 PolarHBondContact NH1-O 3.15Å; R131-F160 HydrophobicContact CB-CE1 4.47Å; R131-E233 IonicContact CZ-OE1 3.34Å; R131-E233 VanDerWaalsContact CZ-OE1 3.31Å; R131-E233 IonicContact CZ-OE2 3.49Å; R131-E233 IonicContact NE-OE1 3.63Å; R131-E233 PolarHBondContact NE-OE1 3.38Å; R131-E233 VanDerWaalsContact NE-OE1 3.17Å; R131-E233 IonicContact NE-OE2 2.97Å; R131-E233 PolarHBondContact NE-OE2 2.69Å; R131-E233 IonicContact NH2-OE1 3.92Å; R131-E233 PolarHBondContact NH2-OE1 3.01Å; R131-E233 IonicContact NH2-OE2 2.76Å |
| 132 | R | 98.2 | Very high | 96.8 | Very high | 137 Ų | 137 | 45.5 Ų | 45.5 | 52% | 0.517 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.3 | -52.3 | 174.7 | -174.4 | -177.2 | 177.3 | -153.6 | -0.4 | 111.7 | A128 I130 A134 M135 D136 F237 | A128-R132 WeakPolarHBondContact O-CB 3.09Å; A128-R132 PolarHBondContact O-N 2.96Å; I130-R132 VanDerWaalsContact C-N 3.25Å; I130-R132 PolarHBondContact O-N 2.73Å; R132-A134 VanDerWaalsContact C-N 3.29Å; R132-A134 PolarHBondContact O-N 2.92Å; R132-M135 PolarHBondContact O-N 2.81Å; R132-D136 PolarHBondContact O-N 2.8Å; R132-F237 HydrophobicContact CB-CZ 4.3Å; R132-F237 HydrophobicContact CG-CE1 4.46Å; R132-F237 HydrophobicContact CG-CE2 4.42Å; R132-F237 HydrophobicContact CG-CZ 3.74Å |
| 133 | K | 97.9 | Very high | 96.3 | Very high | 126 Ų | 126 | 42.1 Ų | 42.1 | 55% | 0.548 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.4 | -41.6 | 176.6 | -68.7 | 173.2 | -176.2 | 177.7 | 0 | 112.4 | G129 I130 F137 | G129-K133 WeakPolarHBondContact O-CG 3.34Å; G129-K133 PolarHBondContact O-N 2.86Å; I130-K133 PolarHBondContact O-N 3.34Å; K133-F137 WeakPolarHBondContact O-CB 3.37Å; K133-F137 PolarHBondContact O-N 3.49Å; K133-F137 VanDerWaalsContact O-N 3.08Å |
| 134 | A | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.8 | -39.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F76 F80 L110 F111 I130 R131 R132 F137 V138 | F76-A134 HydrophobicContact CD1-CB 4.28Å; F76-A134 HydrophobicContact CD2-CB 4.14Å; F76-A134 HydrophobicContact CE1-CB 4.21Å; F76-A134 HydrophobicContact CE2-CB 4.08Å; F76-A134 HydrophobicContact CG-CB 4.28Å; F76-A134 HydrophobicContact CZ-CB 4.12Å; F80-A134 HydrophobicContact CD2-CB 4.25Å; L110-A134 HydrophobicContact CD2-CB 3.94Å; F111-A134 HydrophobicContact CD2-CB 3.9Å; F111-A134 HydrophobicContact CE2-CB 3.88Å; I130-A134 PolarHBondContact O-N 2.76Å; R131-A134 PolarHBondContact O-N 2.76Å; R132-A134 VanDerWaalsContact C-N 3.29Å; R132-A134 PolarHBondContact O-N 2.92Å; A134-F137 WeakPolarHBondContact O-CB 3.41Å; A134-F137 PolarHBondContact O-N 2.87Å; A134-V138 WeakPolarHBondContact O-CG2 3.5Å; A134-V138 PolarHBondContact O-N 3.21Å |
| 135 | M | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.5 | -44.3 | 176.7 | -176.6 | 66.4 | 174.7 | 0 | 0 | 112 | L110 R131 R132 F137 V138 L139 L154 F158 F237 V241 L277 | L110-M135 HydrophobicContact CD1-CB 4.33Å; R131-M135 WeakPolarHBondContact O-CB 3.25Å; R131-M135 PolarHBondContact O-N 3.5Å; R132-M135 PolarHBondContact O-N 2.81Å; M135-F137 PolarHBondContact O-N 3.33Å; M135-V138 PolarHBondContact O-N 3.05Å; M135-V138 VanDerWaalsContact O-N 3.08Å; M135-L139 HydrophobicContact CE-CD1 4.22Å; M135-L139 HydrophobicContact CE-CD2 4.39Å; M135-L139 HydrophobicContact CE-CG 4.31Å; M135-L139 HydrophobicContact CG-CD1 4.29Å; M135-L139 WeakPolarHBondContact O-CG 3.47Å; M135-L139 PolarHBondContact O-N 2.88Å; M135-L154 HydrophobicContact CE-CD1 3.28Å; M135-L154 HydrophobicContact SD-CD1 4.21Å; M135-F158 HydrophobicContact CE-CE1 3.88Å; M135-F158 HydrophobicContact SD-CD1 4.32Å; M135-F158 HydrophobicContact SD-CE1 3.82Å; M135-F237 HydrophobicContact CB-CE1 3.95Å; M135-F237 HydrophobicContact CB-CE2 4.14Å; M135-F237 HydrophobicContact CB-CZ 3.53Å; M135-F237 HydrophobicContact CG-CD1 4.08Å; M135-F237 HydrophobicContact CG-CD2 4.27Å; M135-F237 HydrophobicContact CG-CE1 3.6Å; M135-F237 HydrophobicContact CG-CE2 3.83Å; M135-F237 HydrophobicContact CG-CG 4.38Å; M135-F237 HydrophobicContact CG-CZ 3.47Å; M135-F237 VanDerWaalsContact CG-CZ 3.47Å; M135-V241 HydrophobicContact CE-CG2 4.41Å; M135-L277 HydrophobicContact CE-CD1 3.82Å |
| 136 | D | 97.6 | Very high | 93.1 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54.9 | -42 | 171.8 | -78.2 | -37.8 | 0 | 0 | 0 | 110.9 | R132 L139 H140 F237 | R132-D136 PolarHBondContact O-N 2.8Å; D136-L139 PolarHBondContact O-N 3.37Å; D136-H140 VanDerWaalsContact O-CB 3.27Å; D136-H140 WeakPolarHBondContact O-CB 3.44Å; D136-H140 PolarHBondContact O-N 2.74Å; D136-F237 WeakPolarHBondContact OD1-CE1 3.42Å |
| 137 | F | 97.2 | Very high | 92.4 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 13% | 0.132 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 175.2 | 178.6 | -88.1 | 0 | 0 | 0 | 112.5 | E74 F76 P77 F80 F91 K133 A134 M135 R141 | E74-F137 HydrophobicContact CG-CE1 4.27Å; E74-F137 HydrophobicContact CG-CZ 4.29Å; E74-F137 WeakPolarHBondContact OE1-CZ 3.32Å; F76-F137 AromaticContact CD1-CD1 3.8Å; F76-F137 HydrophobicContact CD1-CD1 3.8Å; F76-F137 HydrophobicContact CD1-CE1 4.18Å; F76-F137 AromaticContact CE1-CD1 3.96Å; F76-F137 HydrophobicContact CE1-CD1 3.96Å; P77-F137 HydrophobicContact CG-CE2 4.14Å; P77-F137 HydrophobicContact CG-CZ 4.42Å; F80-F137 HydrophobicContact CE2-CB 3.75Å; F80-F137 HydrophobicContact CE2-CD2 4.17Å; F80-F137 HydrophobicContact CE2-CG 4.01Å; F80-F137 HydrophobicContact CZ-CB 4.11Å; F80-F137 AromaticContact CZ-CD2 3.91Å; F80-F137 HydrophobicContact CZ-CD2 3.91Å; F80-F137 HydrophobicContact CZ-CG 4.22Å; F91-F137 HydrophobicContact CE1-CE1 4.18Å; K133-F137 WeakPolarHBondContact O-CB 3.37Å; K133-F137 PolarHBondContact O-N 3.49Å; K133-F137 VanDerWaalsContact O-N 3.08Å; A134-F137 WeakPolarHBondContact O-CB 3.41Å; A134-F137 PolarHBondContact O-N 2.87Å; M135-F137 PolarHBondContact O-N 3.33Å; F137-R141 HydrophobicContact CD1-CG 4.12Å; F137-R141 HydrophobicContact CE1-CG 3.83Å; F137-R141 HydrophobicContact CE2-CG 4.46Å; F137-R141 HydrophobicContact CZ-CG 4.04Å; F137-R141 WeakPolarHBondContact O-CB 3.46Å; F137-R141 VanDerWaalsContact O-CG 3.26Å; F137-R141 WeakPolarHBondContact O-CG 3.31Å; F137-R141 PolarHBondContact O-N 2.81Å |
| 138 | V | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -51.2 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | F76 F91 V106 V108 A134 M135 H140 R141 I142 L154 | F76-V138 HydrophobicContact CE1-CG2 3.58Å; F76-V138 HydrophobicContact CZ-CG2 3.74Å; F91-V138 HydrophobicContact CB-CG2 4.32Å; F91-V138 HydrophobicContact CD1-CG2 3.86Å; F91-V138 HydrophobicContact CG-CG1 4.39Å; F91-V138 HydrophobicContact CG-CG2 4.26Å; V106-V138 HydrophobicContact CG1-CG1 4.14Å; V108-V138 HydrophobicContact CG1-CG2 4.26Å; V108-V138 HydrophobicContact CG2-CG1 4.12Å; V108-V138 HydrophobicContact CG2-CG2 4.45Å; A134-V138 WeakPolarHBondContact O-CG2 3.5Å; A134-V138 PolarHBondContact O-N 3.21Å; M135-V138 PolarHBondContact O-N 3.05Å; M135-V138 VanDerWaalsContact O-N 3.08Å; V138-H140 VanDerWaalsContact C-N 3.31Å; V138-H140 PolarHBondContact O-N 2.92Å; V138-R141 PolarHBondContact O-N 3.46Å; V138-R141 VanDerWaalsContact O-N 3.17Å; V138-I142 HydrophobicContact CG1-CG2 4.41Å; V138-I142 WeakPolarHBondContact O-CG1 3.19Å; V138-I142 WeakPolarHBondContact O-CG2 3.26Å; V138-I142 PolarHBondContact O-N 2.71Å; V138-L154 HydrophobicContact CG1-CD2 4.21Å |
| 139 | L | 96.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -40.9 | -177.7 | -70.1 | 173.3 | 0 | 0 | 0 | 112.1 | M135 D136 I142 S143 F152 L154 F237 Q240 V241 | M135-L139 HydrophobicContact CE-CD1 4.22Å; M135-L139 HydrophobicContact CE-CD2 4.39Å; M135-L139 HydrophobicContact CE-CG 4.31Å; M135-L139 HydrophobicContact CG-CD1 4.29Å; M135-L139 WeakPolarHBondContact O-CG 3.47Å; M135-L139 PolarHBondContact O-N 2.88Å; D136-L139 PolarHBondContact O-N 3.37Å; L139-I142 HydrophobicContact CD2-CD1 4.41Å; L139-I142 WeakPolarHBondContact O-CG1 3.45Å; L139-S143 VanDerWaalsContact O-CB 3.25Å; L139-S143 WeakPolarHBondContact O-CB 3.42Å; L139-S143 PolarHBondContact O-N 3.42Å; L139-S143 PolarHBondContact O-OG 2.69Å; L139-F152 HydrophobicContact CD2-CE2 3.98Å; L139-F152 HydrophobicContact CD2-CZ 3.78Å; L139-L154 HydrophobicContact CD2-CD1 3.92Å; L139-F237 HydrophobicContact CD1-CD1 3.68Å; L139-F237 HydrophobicContact CD1-CE1 4.16Å; L139-Q240 HydrophobicContact CD1-CB 4.41Å; L139-V241 HydrophobicContact CD2-CG1 3.96Å |
| 140 | H | 94.4 | Very high | 91.1 | Very high | 101 Ų | 101 | 57 Ų | 57 | 47% | 0.468 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64 | -48.8 | 173.8 | -179.6 | 61.2 | 0 | 0 | 0 | 111.2 | D136 V138 I142 S143 D144 | D136-H140 VanDerWaalsContact O-CB 3.27Å; D136-H140 WeakPolarHBondContact O-CB 3.44Å; D136-H140 PolarHBondContact O-N 2.74Å; V138-H140 VanDerWaalsContact C-N 3.31Å; V138-H140 PolarHBondContact O-N 2.92Å; H140-I142 PolarHBondContact O-N 3.08Å; H140-S143 PolarHBondContact O-N 3.36Å; H140-S143 VanDerWaalsContact O-N 3.13Å; H140-D144 IonicContact CE1-OD2 3.25Å; H140-D144 PolarHBondContact CE1-OD2 3.37Å; H140-D144 IonicContact NE2-OD2 3.44Å; H140-D144 PolarHBondContact NE2-OD2 3.19Å; H140-D144 WeakPolarHBondContact O-CB 3.2Å; H140-D144 PolarHBondContact O-N 2.74Å |
| 141 | R | 92.8 | Very high | 90.9 | Very high | 84 Ų | 84 | 57 Ų | 57 | 32% | 0.317 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 179.6 | -75.9 | -58 | -159.8 | -151.8 | -0.3 | 113.2 | E74 F91 F137 V138 S143 E145 | E74-R141 IonicContact OE1-CZ 2.69Å; E74-R141 IonicContact OE1-NE 3.79Å; E74-R141 PolarHBondContact OE1-NE 3.29Å; E74-R141 IonicContact OE1-NH2 2.83Å; E74-R141 PolarHBondContact OE1-NH2 3.02Å; E74-R141 WeakPolarHBondContact OE2-CD 3.34Å; E74-R141 IonicContact OE2-CZ 2.67Å; E74-R141 IonicContact OE2-NE 3.52Å; E74-R141 PolarHBondContact OE2-NE 2.92Å; E74-R141 IonicContact OE2-NH2 2.6Å; F91-R141 HydrophobicContact CE1-CB 4.28Å; F91-R141 HydrophobicContact CE1-CG 4.32Å; F91-R141 HydrophobicContact CZ-CB 3.9Å; F91-R141 HydrophobicContact CZ-CG 4.29Å; F137-R141 HydrophobicContact CD1-CG 4.12Å; F137-R141 HydrophobicContact CE1-CG 3.83Å; F137-R141 HydrophobicContact CE2-CG 4.46Å; F137-R141 HydrophobicContact CZ-CG 4.04Å; F137-R141 WeakPolarHBondContact O-CB 3.46Å; F137-R141 VanDerWaalsContact O-CG 3.26Å; F137-R141 WeakPolarHBondContact O-CG 3.31Å; F137-R141 PolarHBondContact O-N 2.81Å; V138-R141 PolarHBondContact O-N 3.46Å; V138-R141 VanDerWaalsContact O-N 3.17Å; R141-S143 PolarHBondContact O-N 3.38Å; R141-E145 WeakPolarHBondContact O-CG 3.41Å |
| 142 | I | 91.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74 | -16.5 | -178.2 | 69.1 | -178.8 | 0 | 0 | 0 | 113 | F91 R93 V106 V138 L139 H140 F152 L154 | F91-I142 HydrophobicContact CE2-CG2 4.4Å; R93-I142 PolarHBondContact NH1-O 2.95Å; R93-I142 PolarHBondContact NH2-O 3.26Å; V106-I142 HydrophobicContact CG2-CD1 4.47Å; V106-I142 HydrophobicContact CG2-CG2 4.27Å; V138-I142 HydrophobicContact CG1-CG2 4.41Å; V138-I142 WeakPolarHBondContact O-CG1 3.19Å; V138-I142 WeakPolarHBondContact O-CG2 3.26Å; V138-I142 PolarHBondContact O-N 2.71Å; L139-I142 HydrophobicContact CD2-CD1 4.41Å; L139-I142 WeakPolarHBondContact O-CG1 3.45Å; H140-I142 PolarHBondContact O-N 3.08Å; I142-F152 HydrophobicContact CD1-CD1 3.88Å; I142-F152 HydrophobicContact CD1-CD2 3.83Å; I142-F152 HydrophobicContact CD1-CE1 3.96Å; I142-F152 HydrophobicContact CD1-CE2 3.91Å; I142-F152 HydrophobicContact CD1-CG 3.82Å; I142-F152 HydrophobicContact CD1-CZ 3.98Å; I142-L154 HydrophobicContact CD1-CD2 3.91Å |
| 143 | S | 86.9 | Confident | 90.8 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -99.3 | -31.6 | -179.9 | -57.5 | 0 | 0 | 0 | 0 | 114.5 | L139 H140 R141 | L139-S143 VanDerWaalsContact O-CB 3.25Å; L139-S143 WeakPolarHBondContact O-CB 3.42Å; L139-S143 PolarHBondContact O-N 3.42Å; L139-S143 PolarHBondContact O-OG 2.69Å; H140-S143 PolarHBondContact O-N 3.36Å; H140-S143 VanDerWaalsContact O-N 3.13Å; R141-S143 PolarHBondContact O-N 3.38Å |
| 144 | D | 76 | Confident | 90.8 | Very high | 107 Ų | 107 | 45.5 Ų | 45.5 | 57% | 0.572 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -96 | 1.6 | -173.2 | -169.8 | 35.5 | 0 | 0 | 0 | 113.5 | H140 | H140-D144 IonicContact CE1-OD2 3.25Å; H140-D144 PolarHBondContact CE1-OD2 3.37Å; H140-D144 IonicContact NE2-OD2 3.44Å; H140-D144 PolarHBondContact NE2-OD2 3.19Å; H140-D144 WeakPolarHBondContact O-CB 3.2Å; H140-D144 PolarHBondContact O-N 2.74Å |
| 145 | E | 68.3 | Low | 90.8 | Very high | 52 Ų | 52 | 48 Ų | 48 | 24% | 0.243 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -75.1 | 160.4 | -179.4 | -89.3 | 178.9 | 176 | 0 | 0 | 113.5 | Q72 R93 R141 H147 | Q72-E145 PolarHBondContact NE2-OE1 2.76Å; Q72-E145 PolarHBondContact NE2-OE2 2.86Å; Q72-E145 PolarHBondContact OE1-OE2 2.93Å; R93-E145 IonicContact CZ-OE2 2.76Å; R93-E145 IonicContact NH1-OE2 3.86Å; R93-E145 PolarHBondContact NH1-OE2 2.9Å; R141-E145 WeakPolarHBondContact O-CG 3.41Å; E145-H147 PolarHBondContact O-N 2.99Å |
| 146 | Q | 77.8 | Confident | 90.8 | Very high | 196 Ų | 196 | 48.9 Ų | 48.9 | 92% | 0.916 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -59.6 | 1.2 | 179.6 | -60.9 | 179.9 | -1.2 | 0 | 0 | 114.8 | ||
| 147 | H | 82.2 | Confident | 90.9 | Very high | 34 Ų | 34 | 47 Ų | 47 | 16% | 0.157 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -110.5 | 152.5 | -174.9 | -55 | -69.5 | 0 | 0 | 0 | 110.5 | Y45 F47 E145 K149 | Y45-H147 AromaticContact CE1-ND1 3.73Å; Y45-H147 AromaticContact CZ-ND1 3.96Å; Y45-H147 PolarHBondContact OH-ND1 3.36Å; F47-H147 AromaticContact CD1-CD2 3.68Å; F47-H147 AromaticContact CD1-NE2 3.76Å; F47-H147 PolarHBondContact O-CE1 3.16Å; E145-H147 PolarHBondContact O-N 2.99Å; H147-K149 PolarHBondContact O-N 3.48Å |
| 148 | E | 85.5 | Confident | 91 | Very high | 100 Ų | 100 | 45.6 Ų | 45.6 | 47% | 0.467 | 22% | 0.222 | S | C | . | . | trans | -49.1 | 133.9 | 175.5 | -178.2 | -178.9 | -160.1 | 0 | 0 | 111.9 | R95 L150 | R95-E148 VanDerWaalsContact CZ-O 3.25Å; R95-E148 PolarHBondContact NH1-O 3.38Å; R95-E148 PolarHBondContact NH2-O 2.71Å; E148-L150 HydrophobicContact CG-CD2 4.06Å; E148-L150 PolarHBondContact O-N 2.99Å | ||
| 149 | K | 89.1 | Confident | 91 | Very high | 101 Ų | 101 | 45.8 Ų | 45.8 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | trans | -69.8 | 123.4 | 172.1 | -174.2 | 179.6 | -176.9 | 179 | 0 | 109 | H147 E334 | H147-K149 PolarHBondContact O-N 3.48Å; K149-E334 IonicContact NZ-OE1 2.56Å; K149-E334 PolarHBondContact NZ-OE1 3.11Å | ||
| 150 | L | 91.2 | Very high | 91.1 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | trans | -119.2 | 162.2 | -179.2 | -67.2 | -177 | 0 | 0 | 0 | 111.1 | R95 N102 E148 | R95-L150 HydrophobicContact CG-CD1 3.88Å; R95-L150 VanDerWaalsContact CZ-CD1 3.41Å; N102-L150 HydrophobicContact CB-CD1 3.67Å; N102-L150 HydrophobicContact CB-CD2 3.92Å; N102-L150 HydrophobicContact CB-CG 4.44Å; E148-L150 HydrophobicContact CG-CD2 4.06Å; E148-L150 PolarHBondContact O-N 2.99Å | ||
| 151 | P | 93.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | trans | -49.4 | 139.2 | 160.3 | -24.7 | 34.4 | 0 | 0 | 0 | 111.1 | F103 D104 S281 A282 L285 | F103-P151 CarbonylContact C-O 3.46Å; F103-P151 WeakPolarHBondContact CA-O 3.38Å; F103-P151 HydrophobicContact CB-CB 4.3Å; F103-P151 VanDerWaalsContact CB-O 3.3Å; F103-P151 WeakPolarHBondContact CB-O 3.39Å; D104-P151 PolarHBondContact N-O 2.6Å; P151-S281 WeakPolarHBondContact CA-OG 3.05Å; P151-A282 HydrophobicContact CB-CB 4.03Å; P151-L285 HydrophobicContact CB-CD1 3.61Å; P151-L285 HydrophobicContact CB-CG 4.38Å; P151-L285 HydrophobicContact CG-CD1 3.89Å; P151-L285 HydrophobicContact CG-CG 4.4Å | ||
| 152 | F | 95.9 | Very high | 91.6 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 5% | 0.048 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 149.4 | -178.1 | 64 | -102.5 | 0 | 0 | 0 | 112.6 | D104 L139 I142 L154 V241 S279 A282 | D104-F152 HydrophobicContact CB-CB 3.78Å; D104-F152 WeakPolarHBondContact O-CA 3.47Å; L139-F152 HydrophobicContact CD2-CE2 3.98Å; L139-F152 HydrophobicContact CD2-CZ 3.78Å; I142-F152 HydrophobicContact CD1-CD1 3.88Å; I142-F152 HydrophobicContact CD1-CD2 3.83Å; I142-F152 HydrophobicContact CD1-CE1 3.96Å; I142-F152 HydrophobicContact CD1-CE2 3.91Å; I142-F152 HydrophobicContact CD1-CG 3.82Å; I142-F152 HydrophobicContact CD1-CZ 3.98Å; F152-L154 HydrophobicContact CD2-CD1 4.39Å; F152-L154 HydrophobicContact CD2-CD2 3.87Å; F152-L154 HydrophobicContact CD2-CG 3.77Å; F152-L154 HydrophobicContact CE2-CD1 3.91Å; F152-L154 HydrophobicContact CE2-CD2 4.13Å; F152-L154 HydrophobicContact CE2-CG 3.8Å; F152-V241 HydrophobicContact CE2-CG1 3.68Å; F152-V241 HydrophobicContact CZ-CG1 3.91Å; F152-S279 VanDerWaalsContact CE1-CB 3.46Å; F152-S279 PolarHBondContact N-OG 3.37Å; F152-S279 VanDerWaalsContact N-OG 3.11Å; F152-S279 PolarHBondContact O-N 3.29Å; F152-A282 VanDerWaalsContact O-CB 3.31Å; F152-A282 WeakPolarHBondContact O-CB 3.33Å |
| 153 | F | 98 | Very high | 91.9 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 118.3 | 172.5 | -58.1 | -106.4 | 0 | 0 | 0 | 107.3 | F103 D104 L105 V106 L277 L278 A282 M286 F317 | F103-F153 HydrophobicContact CB-CE2 4.18Å; F103-F153 HydrophobicContact CD2-CD2 4.02Å; F103-F153 AromaticContact CD2-CE2 4Å; F103-F153 HydrophobicContact CD2-CE2 4Å; F103-F153 HydrophobicContact CG-CE2 4.15Å; D104-F153 PolarHBondContact O-N 3.09Å; L105-F153 HydrophobicContact CD2-CB 3.85Å; L105-F153 HydrophobicContact CD2-CD2 3.99Å; L105-F153 HydrophobicContact CD2-CG 4.11Å; V106-F153 PolarHBondContact N-O 3.39Å; F153-L277 CarbonylContact C-O 3.59Å; F153-L277 WeakPolarHBondContact CA-O 3.32Å; F153-L278 HydrophobicContact CD1-CD2 3.07Å; F153-L278 HydrophobicContact CE1-CD2 3.24Å; F153-L278 HydrophobicContact CG-CD2 4.07Å; F153-L278 HydrophobicContact CZ-CD2 4.35Å; F153-A282 HydrophobicContact CD2-CB 4.32Å; F153-A282 HydrophobicContact CE1-CB 4.32Å; F153-A282 HydrophobicContact CE2-CB 3.92Å; F153-A282 HydrophobicContact CZ-CB 3.9Å; F153-M286 HydrophobicContact CE1-SD 4.05Å; F153-F317 AromaticContact CE1-CE1 3.85Å; F153-F317 HydrophobicContact CE1-CE1 3.85Å; F153-F317 AromaticContact CE1-CZ 3.61Å; F153-F317 HydrophobicContact CE1-CZ 3.61Å; F153-F317 HydrophobicContact CZ-CE1 4.39Å; F153-F317 HydrophobicContact CZ-CE2 4.35Å; F153-F317 AromaticContact CZ-CZ 3.68Å; F153-F317 HydrophobicContact CZ-CZ 3.68Å |
| 154 | L | 98.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 133.2 | 170.9 | -53.7 | 175 | 0 | 0 | 0 | 107.9 | V106 V108 M135 V138 L139 I142 F152 F158 V241 I276 L277 | V106-L154 HydrophobicContact CB-CD2 3.5Å; V106-L154 VanDerWaalsContact CB-CD2 3.5Å; V106-L154 HydrophobicContact CG1-CD2 3.8Å; V106-L154 HydrophobicContact CG2-CD2 3.86Å; V106-L154 CarbonylContact O-C 3.53Å; V106-L154 WeakPolarHBondContact O-CA 3.25Å; V108-L154 HydrophobicContact CG2-CD2 4.46Å; M135-L154 HydrophobicContact CE-CD1 3.28Å; M135-L154 HydrophobicContact SD-CD1 4.21Å; V138-L154 HydrophobicContact CG1-CD2 4.21Å; L139-L154 HydrophobicContact CD2-CD1 3.92Å; I142-L154 HydrophobicContact CD1-CD2 3.91Å; F152-L154 HydrophobicContact CD2-CD1 4.39Å; F152-L154 HydrophobicContact CD2-CD2 3.87Å; F152-L154 HydrophobicContact CD2-CG 3.77Å; F152-L154 HydrophobicContact CE2-CD1 3.91Å; F152-L154 HydrophobicContact CE2-CD2 4.13Å; F152-L154 HydrophobicContact CE2-CG 3.8Å; L154-F158 HydrophobicContact CB-CZ 3.8Å; L154-V241 HydrophobicContact CD1-CG1 4.2Å; L154-I276 CarbonylContact O-C 3.52Å; L154-I276 WeakPolarHBondContact O-CA 3.47Å; L154-L277 HydrophobicContact CB-CB 4.27Å; L154-L277 PolarHBondContact N-O 3.18Å; L154-L277 PolarHBondContact O-N 2.89Å |
| 155 | F | 98.8 | Very high | 93.4 | Very high | 51 Ų | 51 | 34.5 Ų | 34.5 | 22% | 0.224 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 162.7 | 177.4 | 60 | -86.4 | 0 | 0 | 0 | 111.1 | L105 V106 N107 V108 R275 I276 | L105-F155 HydrophobicContact CB-CE1 3.91Å; V106-F155 PolarHBondContact O-N 3.08Å; N107-F155 CarbonylContact C-O 3.51Å; N107-F155 VanDerWaalsContact CA-O 3.25Å; N107-F155 WeakPolarHBondContact CA-O 3.42Å; N107-F155 HydrophobicContact CB-CD2 4.22Å; N107-F155 HydrophobicContact CB-CE2 3.57Å; N107-F155 HydrophobicContact CB-CZ 3.79Å; N107-F155 PolarHBondContact OD1-O 3.1Å; V108-F155 PolarHBondContact N-O 3.34Å; F155-R275 VanDerWaalsContact CA-O 3.24Å; F155-R275 WeakPolarHBondContact CA-O 3.41Å; F155-I276 HydrophobicContact CB-CB 4.5Å; F155-I276 HydrophobicContact CB-CG1 3.93Å; F155-I276 HydrophobicContact CB-CG2 4.46Å |
| 156 | G | 98.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 21% | 0.206 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 126.1 | -155.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V108 F158 D274 R275 | V108-G156 CarbonylContact O-C 3.59Å; V108-G156 WeakPolarHBondContact O-CA 3.14Å; G156-F158 WeakPolarHBondContact O-CD2 3.46Å; G156-F158 PolarHBondContact O-N 3.03Å; G156-D274 WeakPolarHBondContact O-CA 3.45Å; G156-R275 PolarHBondContact N-O 3.39Å; G156-R275 PolarHBondContact O-N 3.13Å; G156-R275 VanDerWaalsContact O-N 3.09Å |
| 157 | D | 98.7 | Very high | 95.8 | Very high | 21 Ų | 21 | 25.3 Ų | 25.3 | 11% | 0.112 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 92.2 | -179.4 | 178.2 | 10.7 | 0 | 0 | 0 | 110.1 | V108 H109 L110 N159 H310 | V108-D157 PolarHBondContact O-N 3.4Å; V108-D157 VanDerWaalsContact O-N 3.08Å; H109-D157 CarbonylContact C-O 3.51Å; H109-D157 VanDerWaalsContact CA-O 3.29Å; H109-D157 WeakPolarHBondContact CA-O 3.42Å; H109-D157 IonicContact CD2-OD2 2.72Å; H109-D157 PolarHBondContact CD2-OD2 3.02Å; H109-D157 IonicContact NE2-OD2 3.16Å; H109-D157 PolarHBondContact NE2-OD2 2.64Å; H109-D157 VanDerWaalsContact NE2-OD2 3.14Å; L110-D157 PolarHBondContact N-O 3.28Å; D157-N159 PolarHBondContact O-N 3.38Å; D157-N159 WeakPolarHBondContact OD1-CA 3.44Å; D157-N159 VanDerWaalsContact OD1-CG 3.26Å; D157-N159 PolarHBondContact OD1-N 2.84Å; D157-N159 PolarHBondContact OD1-ND2 2.86Å; D157-N159 PolarHBondContact OD2-ND2 3.22Å; D157-H310 IonicContact OD2-CE1 3.46Å |
| 158 | F | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -71.4 | -14.6 | 174.5 | -73.9 | -103.6 | 0 | 0 | 0 | 112 | L110 R131 M135 L154 G156 F160 C273 R275 L277 | L110-F158 VanDerWaalsContact CB-O 3.29Å; L110-F158 WeakPolarHBondContact CB-O 3.33Å; L110-F158 HydrophobicContact CD1-CB 4.23Å; L110-F158 HydrophobicContact CD1-CD1 3.89Å; L110-F158 HydrophobicContact CD1-CG 4.42Å; L110-F158 WeakPolarHBondContact CD1-O 3.23Å; R131-F158 WeakPolarHBondContact CD-O 3.36Å; M135-F158 HydrophobicContact CE-CE1 3.88Å; M135-F158 HydrophobicContact SD-CD1 4.32Å; M135-F158 HydrophobicContact SD-CE1 3.82Å; L154-F158 HydrophobicContact CB-CZ 3.8Å; G156-F158 WeakPolarHBondContact O-CD2 3.46Å; G156-F158 PolarHBondContact O-N 3.03Å; F158-F160 HydrophobicContact CB-CD1 4.01Å; F158-F160 HydrophobicContact CB-CD2 4.11Å; F158-F160 HydrophobicContact CB-CE1 4.22Å; F158-F160 HydrophobicContact CB-CE2 4.32Å; F158-F160 HydrophobicContact CB-CG 3.95Å; F158-F160 HydrophobicContact CB-CZ 4.37Å; F158-F160 HydrophobicContact CD1-CE1 4.28Å; F158-F160 HydrophobicContact CD1-CE2 4.02Å; F158-F160 AromaticContact CD1-CZ 3.83Å; F158-F160 HydrophobicContact CD1-CZ 3.83Å; F158-F160 HydrophobicContact CG-CE2 4.45Å; F158-F160 PolarHBondContact O-N 2.88Å; F158-C273 PolarHBondContact N-O 2.85Å; F158-R275 HydrophobicContact CB-CG 4.32Å; F158-R275 HydrophobicContact CD2-CB 3.58Å; F158-R275 HydrophobicContact CD2-CG 4.05Å; F158-R275 HydrophobicContact CE2-CB 3.85Å; F158-R275 HydrophobicContact CG-CB 4.24Å; F158-R275 HydrophobicContact CG-CG 4.33Å; F158-L277 HydrophobicContact CD1-CD1 4.09Å; F158-L277 HydrophobicContact CE1-CD1 3.39Å; F158-L277 HydrophobicContact CE1-CG 4.04Å; F158-L277 HydrophobicContact CE2-CG 4.42Å; F158-L277 HydrophobicContact CZ-CD1 3.68Å; F158-L277 HydrophobicContact CZ-CG 3.79Å | ||
| 159 | N | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | trans | 51.4 | 20.1 | -173.6 | -93.3 | -77.6 | 0 | 0 | 0 | 113.5 | L110 F111 H112 R131 D157 R161 C273 | L110-N159 PolarHBondContact O-ND2 3.26Å; F111-N159 WeakPolarHBondContact O-CB 3.42Å; H112-N159 WeakPolarHBondContact CB-OD1 3.17Å; R131-N159 WeakPolarHBondContact CD-O 3.24Å; R131-N159 PolarHBondContact NE-O 3.01Å; R131-N159 VanDerWaalsContact NE-O 3.17Å; R131-N159 PolarHBondContact NH1-O 3.15Å; D157-N159 PolarHBondContact O-N 3.38Å; D157-N159 WeakPolarHBondContact OD1-CA 3.44Å; D157-N159 VanDerWaalsContact OD1-CG 3.26Å; D157-N159 PolarHBondContact OD1-N 2.84Å; D157-N159 PolarHBondContact OD1-ND2 2.86Å; D157-N159 PolarHBondContact OD2-ND2 3.22Å; N159-R161 WeakPolarHBondContact O-CD 3.45Å; N159-R161 VanDerWaalsContact O-CG 3.32Å; N159-R161 WeakPolarHBondContact O-CG 3.49Å; N159-R161 PolarHBondContact O-N 3.22Å; N159-R161 PolarHBondContact O-NE 2.85Å; N159-R161 PolarHBondContact OD1-NH2 2.83Å; N159-C273 PolarHBondContact N-O 3.45Å | ||
| 160 | F | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | trans | -60 | 136.4 | 174.5 | -71.8 | -11.7 | 0 | 0 | 0 | 109.4 | L110 R131 F158 E233 L234 | L110-F160 HydrophobicContact CD1-CE1 3.9Å; R131-F160 HydrophobicContact CB-CE1 4.47Å; F158-F160 HydrophobicContact CB-CD1 4.01Å; F158-F160 HydrophobicContact CB-CD2 4.11Å; F158-F160 HydrophobicContact CB-CE1 4.22Å; F158-F160 HydrophobicContact CB-CE2 4.32Å; F158-F160 HydrophobicContact CB-CG 3.95Å; F158-F160 HydrophobicContact CB-CZ 4.37Å; F158-F160 HydrophobicContact CD1-CE1 4.28Å; F158-F160 HydrophobicContact CD1-CE2 4.02Å; F158-F160 AromaticContact CD1-CZ 3.83Å; F158-F160 HydrophobicContact CD1-CZ 3.83Å; F158-F160 HydrophobicContact CG-CE2 4.45Å; F158-F160 PolarHBondContact O-N 2.88Å; F160-E233 WeakPolarHBondContact CA-OE1 3.37Å; F160-E233 HydrophobicContact CB-CB 4.3Å; F160-E233 HydrophobicContact CD1-CB 3.73Å; F160-E233 HydrophobicContact CD1-CG 4.32Å; F160-E233 VanDerWaalsContact CD1-OE2 3.3Å; F160-E233 WeakPolarHBondContact CD1-OE2 3.48Å; F160-E233 HydrophobicContact CD2-CB 4.1Å; F160-E233 HydrophobicContact CE1-CB 4.01Å; F160-E233 HydrophobicContact CE2-CB 4.35Å; F160-E233 HydrophobicContact CG-CB 3.79Å; F160-E233 HydrophobicContact CG-CG 4.5Å; F160-E233 HydrophobicContact CZ-CB 4.31Å; F160-L234 HydrophobicContact CE2-CB 4.36Å | ||
| 161 | R | 98.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | trans | -122.1 | 155 | -175.8 | -54.7 | -57 | 177.4 | 79.6 | -7.1 | 109.8 | D113 N159 E233 | D113-R161 VanDerWaalsContact CG-NH1 3.28Å; D113-R161 IonicContact OD1-NH1 3.73Å; D113-R161 IonicContact OD2-NH1 3.26Å; D113-R161 PolarHBondContact OD2-NH1 3.36Å; D113-R161 VanDerWaalsContact OD2-NH1 3.15Å; N159-R161 WeakPolarHBondContact O-CD 3.45Å; N159-R161 VanDerWaalsContact O-CG 3.32Å; N159-R161 WeakPolarHBondContact O-CG 3.49Å; N159-R161 PolarHBondContact O-N 3.22Å; N159-R161 PolarHBondContact O-NE 2.85Å; N159-R161 PolarHBondContact OD1-NH2 2.83Å; R161-E233 PolarHBondContact N-OE1 3.36Å | ||
| 162 | L | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | trans | -62.1 | 145 | 165.5 | -53.2 | -177.6 | 0 | 0 | 0 | 109.3 | T164 L167 F219 L227 Y230 D231 P270 A271 W272 | L162-T164 PolarHBondContact O-N 2.96Å; L162-L167 HydrophobicContact CB-CD2 3.97Å; L162-L167 HydrophobicContact CD1-CD2 3.71Å; L162-L167 HydrophobicContact CG-CD2 4.49Å; L162-F219 HydrophobicContact CD1-CE1 4.19Å; L162-L227 HydrophobicContact CD1-CB 4.21Å; L162-Y230 CarbonylContact C-O 3.57Å; L162-Y230 WeakPolarHBondContact CA-O 3.42Å; L162-D231 HydrophobicContact CD2-CB 3.9Å; L162-P270 WeakPolarHBondContact CD1-O 3.23Å; L162-A271 HydrophobicContact CG-CB 4.43Å; L162-W272 HydrophobicContact CD2-CE3 3.98Å; L162-W272 HydrophobicContact CD2-CZ3 3.71Å | ||
| 163 | D | 98.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.064 | 12% | 0.121 | C | C | . | . | trans | -65.5 | 86.7 | 169.1 | -171.4 | -16.9 | 0 | 0 | 0 | 109.8 | S123 R165 E166 L167 Y230 K232 | S123-D163 WeakPolarHBondContact CB-OD1 3.35Å; S123-D163 WeakPolarHBondContact CB-OD2 3.33Å; S123-D163 PolarHBondContact OG-OD2 2.76Å; D163-R165 PolarHBondContact O-N 3.01Å; D163-R165 PolarHBondContact OD1-N 3.42Å; D163-E166 PolarHBondContact O-N 2.91Å; D163-L167 WeakPolarHBondContact O-CB 3.28Å; D163-L167 PolarHBondContact O-N 3Å; D163-Y230 PolarHBondContact N-O 3.31Å; D163-K232 HydrophobicContact CB-CD 4.41Å | ||
| 164 | T | 97.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 32 Ų | 32 | 8% | 0.08 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -27.8 | -171.9 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | A119 W120 L162 F168 C269 | A119-T164 PolarHBondContact O-OG1 2.82Å; W120-T164 WeakPolarHBondContact CA-OG1 3.29Å; L162-T164 PolarHBondContact O-N 2.96Å; T164-F168 HydrophobicContact CG2-CE1 4.23Å; T164-F168 HydrophobicContact CG2-CZ 3.87Å; T164-F168 VanDerWaalsContact O-CB 3.31Å; T164-F168 WeakPolarHBondContact O-CB 3.4Å; T164-F168 VanDerWaalsContact O-CD1 3.23Å; T164-F168 WeakPolarHBondContact O-CD1 3.42Å; T164-F168 VanDerWaalsContact O-CD2 3.23Å; T164-F168 WeakPolarHBondContact O-CD2 3.37Å; T164-F168 WeakPolarHBondContact O-CG 2.88Å; T164-F168 PolarHBondContact O-N 3.1Å; T164-C269 HydrophobicContact CG2-CB 4.12Å |
| 165 | R | 96.8 | Very high | 96.9 | Very high | 64 Ų | 64 | 36.8 Ų | 36.8 | 24% | 0.242 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -57.1 | 177.2 | 178.7 | 64.3 | -172.6 | -160 | 1.6 | 110 | W120 D163 F168 E169 | W120-R165 WeakPolarHBondContact O-CB 3.28Å; W120-R165 VanDerWaalsContact O-CD 3.24Å; W120-R165 WeakPolarHBondContact O-CD 3.42Å; D163-R165 PolarHBondContact O-N 3.01Å; D163-R165 PolarHBondContact OD1-N 3.42Å; R165-F168 PolarHBondContact O-N 3.12Å; R165-E169 VanDerWaalsContact CZ-CD 3.43Å; R165-E169 IonicContact CZ-OE1 2.89Å; R165-E169 IonicContact CZ-OE2 3.43Å; R165-E169 IonicContact NE-OE1 3.08Å; R165-E169 PolarHBondContact NE-OE1 3.39Å; R165-E169 VanDerWaalsContact NE-OE1 3.08Å; R165-E169 IonicContact NE-OE2 2.84Å; R165-E169 PolarHBondContact NE-OE2 2.83Å; R165-E169 IonicContact NH1-OE1 3.63Å; R165-E169 IonicContact NH2-OE1 2.63Å; R165-E169 PolarHBondContact NH2-OE1 3.2Å; R165-E169 IonicContact NH2-OE2 3.35Å; R165-E169 PolarHBondContact NH2-OE2 3.37Å; R165-E169 WeakPolarHBondContact O-CG 3.26Å; R165-E169 PolarHBondContact O-N 2.7Å; R165-E169 VanDerWaalsContact O-N 3.12Å |
| 166 | E | 97.9 | Very high | 96.7 | Very high | 56 Ų | 56 | 35.6 Ų | 35.6 | 26% | 0.262 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.4 | -41.6 | -179.7 | -74.2 | -164.5 | -159.5 | 0 | 0 | 112.4 | S123 D163 F168 E169 H170 Y230 K232 | S123-E166 PolarHBondContact OG-OE1 3.13Å; D163-E166 PolarHBondContact O-N 2.91Å; E166-F168 VanDerWaalsContact C-N 3.28Å; E166-F168 PolarHBondContact O-N 3.12Å; E166-E169 PolarHBondContact O-N 3.23Å; E166-H170 VanDerWaalsContact O-CB 3.32Å; E166-H170 WeakPolarHBondContact O-CB 3.25Å; E166-H170 PolarHBondContact O-CD2 3.11Å; E166-H170 PolarHBondContact O-N 2.87Å; E166-Y230 HydrophobicContact CB-CD1 3.93Å; E166-Y230 HydrophobicContact CB-CE1 3.97Å; E166-K232 IonicContact OE1-NZ 3.87Å; E166-K232 PolarHBondContact OE1-NZ 3.34Å; E166-K232 IonicContact OE2-NZ 3.15Å; E166-K232 PolarHBondContact OE2-NZ 3.17Å |
| 167 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.8 | -45.1 | 177.7 | 172.2 | 65.6 | 0 | 0 | 0 | 111.3 | L162 D163 H171 L172 F219 L227 Y230 | L162-L167 HydrophobicContact CB-CD2 3.97Å; L162-L167 HydrophobicContact CD1-CD2 3.71Å; L162-L167 HydrophobicContact CG-CD2 4.49Å; D163-L167 WeakPolarHBondContact O-CB 3.28Å; D163-L167 PolarHBondContact O-N 3Å; L167-H171 HydrophobicContact CD1-CB 4Å; L167-H171 WeakPolarHBondContact O-CA 3.31Å; L167-H171 VanDerWaalsContact O-CB 3.27Å; L167-H171 WeakPolarHBondContact O-CB 3.33Å; L167-H171 PolarHBondContact O-N 3.01Å; L167-L172 HydrophobicContact CD1-CD1 4.18Å; L167-L172 HydrophobicContact CD1-CD2 4.28Å; L167-L172 HydrophobicContact CD1-CG 3.87Å; L167-L172 HydrophobicContact CD2-CD1 3.97Å; L167-L172 HydrophobicContact CG-CD1 3.83Å; L167-L172 HydrophobicContact CG-CG 3.9Å; L167-L172 PolarHBondContact O-N 3.07Å; L167-F219 HydrophobicContact CD2-CE1 4.31Å; L167-L227 HydrophobicContact CD1-CD2 3.85Å; L167-Y230 HydrophobicContact CB-CD1 4.07Å; L167-Y230 HydrophobicContact CB-CD2 4.23Å; L167-Y230 HydrophobicContact CB-CG 3.93Å; L167-Y230 HydrophobicContact CD1-CD2 3.53Å; L167-Y230 HydrophobicContact CD1-CE2 3.78Å; L167-Y230 HydrophobicContact CD1-CG 4.09Å; L167-Y230 HydrophobicContact CG-CD2 4.46Å |
| 168 | F | 97.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -71 | -47.8 | -178.9 | -60 | -7.1 | 0 | 0 | 0 | 110.3 | W120 T164 R165 E166 H170 L172 C173 Y193 L204 V206 F211 | W120-F168 AromaticContact CD1-CD2 3.31Å; W120-F168 AromaticContact CD1-CE2 3.75Å; W120-F168 HydrophobicContact CG-CD2 4.3Å; W120-F168 HydrophobicContact CG-CE2 4.4Å; W120-F168 AromaticContact NE1-CD2 3.71Å; T164-F168 HydrophobicContact CG2-CE1 4.23Å; T164-F168 HydrophobicContact CG2-CZ 3.87Å; T164-F168 VanDerWaalsContact O-CB 3.31Å; T164-F168 WeakPolarHBondContact O-CB 3.4Å; T164-F168 VanDerWaalsContact O-CD1 3.23Å; T164-F168 WeakPolarHBondContact O-CD1 3.42Å; T164-F168 VanDerWaalsContact O-CD2 3.23Å; T164-F168 WeakPolarHBondContact O-CD2 3.37Å; T164-F168 WeakPolarHBondContact O-CG 2.88Å; T164-F168 PolarHBondContact O-N 3.1Å; R165-F168 PolarHBondContact O-N 3.12Å; E166-F168 VanDerWaalsContact C-N 3.28Å; E166-F168 PolarHBondContact O-N 3.12Å; F168-H170 PolarHBondContact O-N 3.44Å; F168-L172 HydrophobicContact CD1-CD1 3.91Å; F168-L172 HydrophobicContact CE1-CD1 4.12Å; F168-C173 CarbonylContact O-C 3.54Å; F168-C173 VanDerWaalsContact O-CA 3.25Å; F168-C173 WeakPolarHBondContact O-CA 3.46Å; F168-C173 WeakPolarHBondContact O-CB 3.4Å; F168-C173 PolarHBondContact O-N 2.95Å; F168-Y193 HydrophobicContact CB-CE2 4.07Å; F168-Y193 HydrophobicContact CD2-CE2 4.12Å; F168-Y193 HydrophobicContact CG-CE2 4.49Å; F168-L204 HydrophobicContact CB-CD2 4.25Å; F168-L204 HydrophobicContact CD1-CD2 3.77Å; F168-L204 HydrophobicContact CD2-CD2 3.49Å; F168-L204 VanDerWaalsContact CD2-CD2 3.49Å; F168-L204 HydrophobicContact CE1-CD2 3.98Å; F168-L204 HydrophobicContact CE2-CD2 3.73Å; F168-L204 HydrophobicContact CG-CD2 3.54Å; F168-L204 HydrophobicContact CZ-CD2 3.96Å; F168-V206 HydrophobicContact CE2-CG2 3.98Å; F168-V206 HydrophobicContact CZ-CG2 4.4Å; F168-F211 AromaticContact CE1-CE2 3.81Å; F168-F211 HydrophobicContact CE1-CE2 3.81Å; F168-F211 HydrophobicContact CZ-CD2 4.2Å; F168-F211 AromaticContact CZ-CE2 3.61Å; F168-F211 HydrophobicContact CZ-CE2 3.61Å |
| 169 | E | 95.6 | Very high | 96.3 | Very high | 60 Ų | 60 | 44.6 Ų | 44.6 | 28% | 0.28 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -71.4 | -29.6 | -174 | -66.6 | -170.3 | 147.6 | 0 | 0 | 114 | R165 E166 Y174 | R165-E169 VanDerWaalsContact CZ-CD 3.43Å; R165-E169 IonicContact CZ-OE1 2.89Å; R165-E169 IonicContact CZ-OE2 3.43Å; R165-E169 IonicContact NE-OE1 3.08Å; R165-E169 PolarHBondContact NE-OE1 3.39Å; R165-E169 VanDerWaalsContact NE-OE1 3.08Å; R165-E169 IonicContact NE-OE2 2.84Å; R165-E169 PolarHBondContact NE-OE2 2.83Å; R165-E169 IonicContact NH1-OE1 3.63Å; R165-E169 IonicContact NH2-OE1 2.63Å; R165-E169 PolarHBondContact NH2-OE1 3.2Å; R165-E169 IonicContact NH2-OE2 3.35Å; R165-E169 PolarHBondContact NH2-OE2 3.37Å; R165-E169 WeakPolarHBondContact O-CG 3.26Å; R165-E169 PolarHBondContact O-N 2.7Å; R165-E169 VanDerWaalsContact O-N 3.12Å; E166-E169 PolarHBondContact O-N 3.23Å; E169-Y174 WeakPolarHBondContact O-CA 3.49Å |
| 170 | H | 95.8 | Very high | 96.1 | Very high | 118 Ų | 118 | 47.8 Ų | 47.8 | 55% | 0.546 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -112.1 | -19.1 | -172.1 | -57.9 | -48.1 | 0 | 0 | 0 | 114.4 | E166 F168 | E166-H170 VanDerWaalsContact O-CB 3.32Å; E166-H170 WeakPolarHBondContact O-CB 3.25Å; E166-H170 PolarHBondContact O-CD2 3.11Å; E166-H170 PolarHBondContact O-N 2.87Å; F168-H170 PolarHBondContact O-N 3.44Å |
| 171 | H | 95.9 | Very high | 96 | Very high | 53 Ų | 53 | 51 Ų | 51 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -121.2 | -62.5 | -177.2 | -149.2 | 96.5 | 0 | 0 | 0 | 112.7 | L167 Y230 | L167-H171 HydrophobicContact CD1-CB 4Å; L167-H171 WeakPolarHBondContact O-CA 3.31Å; L167-H171 VanDerWaalsContact O-CB 3.27Å; L167-H171 WeakPolarHBondContact O-CB 3.33Å; L167-H171 PolarHBondContact O-N 3.01Å; H171-Y230 HydrophobicContact CB-CE2 3.81Å; H171-Y230 WeakPolarHBondContact CB-OH 3.45Å; H171-Y230 AromaticContact CG-CE2 3.93Å; H171-Y230 AromaticContact ND1-CE2 3.73Å |
| 172 | L | 96.2 | Very high | 95.8 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -79 | -32 | -169 | -58.8 | -173.9 | 0 | 0 | 0 | 113.1 | L167 F168 F213 I218 F219 | L167-L172 HydrophobicContact CD1-CD1 4.18Å; L167-L172 HydrophobicContact CD1-CD2 4.28Å; L167-L172 HydrophobicContact CD1-CG 3.87Å; L167-L172 HydrophobicContact CD2-CD1 3.97Å; L167-L172 HydrophobicContact CG-CD1 3.83Å; L167-L172 HydrophobicContact CG-CG 3.9Å; L167-L172 PolarHBondContact O-N 3.07Å; F168-L172 HydrophobicContact CD1-CD1 3.91Å; F168-L172 HydrophobicContact CE1-CD1 4.12Å; L172-F213 HydrophobicContact CB-CE2 3.91Å; L172-F213 HydrophobicContact CB-CZ 4.05Å; L172-F213 HydrophobicContact CD1-CE2 4.43Å; L172-F213 HydrophobicContact CD1-CZ 4.49Å; L172-F213 HydrophobicContact CD2-CE1 4.29Å; L172-F213 HydrophobicContact CD2-CZ 4.03Å; L172-F213 HydrophobicContact CG-CZ 4.42Å; L172-I218 HydrophobicContact CD2-CD1 3.87Å; L172-I218 HydrophobicContact CD2-CG2 4.03Å; L172-F219 HydrophobicContact CD1-CE1 4.46Å; L172-F219 HydrophobicContact CD1-CE2 4.44Å; L172-F219 HydrophobicContact CD1-CZ 3.71Å |
| 173 | C | 95.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -131.3 | 22.6 | -168.3 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | F168 N175 T176 Y193 | F168-C173 CarbonylContact O-C 3.54Å; F168-C173 VanDerWaalsContact O-CA 3.25Å; F168-C173 WeakPolarHBondContact O-CA 3.46Å; F168-C173 WeakPolarHBondContact O-CB 3.4Å; F168-C173 PolarHBondContact O-N 2.95Å; C173-N175 PolarHBondContact O-N 3.42Å; C173-T176 HydrophobicContact CB-CG2 4.16Å; C173-T176 VanDerWaalsContact CB-OG1 3.3Å; C173-T176 WeakPolarHBondContact CB-OG1 3.42Å; C173-T176 WeakPolarHBondContact O-CB 3.45Å; C173-T176 PolarHBondContact O-N 3.17Å; C173-T176 VanDerWaalsContact O-N 3.11Å; C173-T176 PolarHBondContact O-OG1 2.97Å; C173-Y193 HydrophobicContact CB-CD1 3.62Å; C173-Y193 HydrophobicContact CB-CD2 4.31Å; C173-Y193 HydrophobicContact CB-CE1 4.02Å; C173-Y193 HydrophobicContact CB-CG 3.73Å |
| 174 | Y | 90.8 | Very high | 94.9 | Very high | 157 Ų | 157 | 60.9 Ų | 60.9 | 62% | 0.616 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.1 | -171.9 | 75.8 | -81.8 | 0 | 0 | 0 | 115.6 | E169 | E169-Y174 WeakPolarHBondContact O-CA 3.49Š|
| 175 | N | 90.4 | Very high | 94.6 | Very high | 101 Ų | 101 | 65.9 Ų | 65.9 | 54% | 0.54 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 38 | 178.5 | -81.1 | -15.6 | 0 | 0 | 0 | 112.6 | C173 | C173-N175 PolarHBondContact O-N 3.42Š|
| 176 | T | 94.6 | Very high | 94.1 | Very high | 26 Ų | 26 | 69.4 Ų | 69.4 | 16% | 0.16 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 160.7 | -176.7 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | C173 Y193 R194 I203 | C173-T176 HydrophobicContact CB-CG2 4.16Å; C173-T176 VanDerWaalsContact CB-OG1 3.3Å; C173-T176 WeakPolarHBondContact CB-OG1 3.42Å; C173-T176 WeakPolarHBondContact O-CB 3.45Å; C173-T176 PolarHBondContact O-N 3.17Å; C173-T176 VanDerWaalsContact O-N 3.11Å; C173-T176 PolarHBondContact O-OG1 2.97Å; T176-Y193 WeakPolarHBondContact OG1-CB 3.44Å; T176-Y193 WeakPolarHBondContact OG1-CD1 3.43Å; T176-R194 CarbonylContact C-O 3.56Å; T176-R194 WeakPolarHBondContact CA-O 3.37Å; T176-R194 WeakPolarHBondContact CB-O 3.45Å; T176-I203 HydrophobicContact CG2-CB 4.32Å; T176-I203 HydrophobicContact CG2-CG1 4.04Å; T176-I203 HydrophobicContact CG2-CG2 4.49Å |
| 177 | K | 95.1 | Very high | 93.7 | Very high | 119 Ų | 119 | 72 Ų | 72 | 52% | 0.517 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124.8 | 171.2 | -176.1 | -174.6 | 175.8 | -164.8 | 0 | 109.6 | Y193 R194 I196 | K177-Y193 WeakPolarHBondContact O-CA 3.13Å; K177-R194 PolarHBondContact N-O 3.24Å; K177-R194 PolarHBondContact O-N 3.07Å; K177-I196 HydrophobicContact CB-CG1 4.42Å |
| 178 | L | 96.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 73.7 Ų | 73.7 | 34% | 0.335 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 131 | 171.4 | 171.4 | 61.5 | 0 | 0 | 0 | 111.2 | W120 T180 I191 R192 Y193 | W120-L178 HydrophobicContact CH2-CD1 4.16Å; W120-L178 HydrophobicContact CH2-CD2 3.91Å; W120-L178 HydrophobicContact CZ2-CD1 3.98Å; W120-L178 HydrophobicContact CZ2-CD2 3.82Å; L178-T180 HydrophobicContact CD1-CG2 4.21Å; L178-T180 HydrophobicContact CG-CG2 4.42Å; L178-I191 HydrophobicContact CD1-CG2 3.51Å; L178-R192 CarbonylContact C-O 3.43Å; L178-Y193 HydrophobicContact CB-CD1 4.09Å; L178-Y193 HydrophobicContact CB-CE1 3.85Å; L178-Y193 HydrophobicContact CD1-CD1 4.38Å; L178-Y193 HydrophobicContact CD1-CD2 4.47Å; L178-Y193 HydrophobicContact CD1-CE1 3.98Å; L178-Y193 HydrophobicContact CD1-CE2 4.03Å; L178-Y193 HydrophobicContact CG-CE1 4.36Å |
| 179 | E | 95.7 | Very high | 93.2 | Very high | 47 Ų | 47 | 77 Ų | 77 | 22% | 0.22 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.4 | 170 | -62.2 | 178.7 | 165.1 | 0 | 0 | 108.9 | R192 R194 | E179-R192 HydrophobicContact CB-CB 4.32Å; E179-R192 PolarHBondContact N-O 2.93Å; E179-R192 PolarHBondContact O-N 3.33Å; E179-R192 IonicContact OE2-NH1 3.66Å; E179-R194 IonicContact OE1-NE 2.81Å; E179-R194 IonicContact OE2-CZ 3.77Å; E179-R194 IonicContact OE2-NE 3.48Å; E179-R194 PolarHBondContact OE2-NE 3.25Å |
| 180 | T | 95.3 | Very high | 93.3 | Very high | 72 Ų | 72 | 75.4 Ų | 75.4 | 44% | 0.442 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 133.6 | 171.8 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | W120 L178 V188 | W120-T180 HydrophobicContact CH2-CG2 4.26Å; L178-T180 HydrophobicContact CD1-CG2 4.21Å; L178-T180 HydrophobicContact CG-CG2 4.42Å; T180-V188 HydrophobicContact CG2-CG1 4.03Å; T180-V188 HydrophobicContact CG2-CG2 4.47Å |
| 181 | I | 94.4 | Very high | 93.3 | Very high | 69 Ų | 69 | 69.8 Ų | 69.8 | 35% | 0.354 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124 | 176.6 | -62.5 | 157.4 | 0 | 0 | 0 | 107.2 | D189 K190 | I181-D189 PolarHBondContact O-N 3.39Å; I181-K190 HydrophobicContact CB-CB 4.14Å; I181-K190 HydrophobicContact CD1-CB 4.47Å; I181-K190 HydrophobicContact CD1-CD 3.8Å; I181-K190 HydrophobicContact CD1-CG 4.11Å; I181-K190 PolarHBondContact N-O 2.84Å; I181-K190 PolarHBondContact O-N 3.41Å |
| 182 | T | 93.9 | Very high | 93.4 | Very high | 73 Ų | 73 | 69.3 Ų | 69.3 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 148 | -178 | 56 | 0 | 0 | 0 | 0 | 111.7 | E187 V188 | T182-E187 CarbonylContact C-O 3.58Å; T182-E187 WeakPolarHBondContact CA-O 3.3Å; T182-V188 HydrophobicContact CG2-CG2 4.3Å |
| 183 | N | 90 | Very high | 93.5 | Very high | 48 Ų | 48 | 68.9 Ų | 68.9 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | trans | -77.9 | -177.1 | 170.4 | 66.3 | 22.2 | 0 | 0 | 0 | 111.7 | N185 N186 E187 D189 | N183-N185 PolarHBondContact O-N 3.08Å; N183-N185 VanDerWaalsContact O-N 3.1Å; N183-N185 WeakPolarHBondContact OD1-CA 3.34Å; N183-N185 WeakPolarHBondContact OD1-CB 3.49Å; N183-N185 PolarHBondContact OD1-N 3.31Å; N183-N186 PolarHBondContact O-N 2.77Å; N183-N186 PolarHBondContact OD1-N 3.26Å; N183-E187 PolarHBondContact N-O 3.39Å; N183-E187 PolarHBondContact OD1-N 3.13Å; N183-E187 VanDerWaalsContact OD1-N 3.08Å; N183-E187 PolarHBondContact OD1-O 2.89Å; N183-D189 HydrophobicContact CB-CB 4.2Å | ||
| 184 | S | 89.9 | Confident | 93.5 | Very high | 116 Ų | 116 | 71.3 Ų | 71.3 | 81% | 0.811 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -17.7 | 177.9 | 55.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 185 | N | 89.9 | Confident | 93.6 | Very high | 118 Ų | 118 | 67.8 Ų | 67.8 | 63% | 0.631 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 12.4 | 179.2 | -59.2 | -14 | 0 | 0 | 0 | 112.1 | N183 E187 | N183-N185 PolarHBondContact O-N 3.08Å; N183-N185 VanDerWaalsContact O-N 3.1Å; N183-N185 WeakPolarHBondContact OD1-CA 3.34Å; N183-N185 WeakPolarHBondContact OD1-CB 3.49Å; N183-N185 PolarHBondContact OD1-N 3.31Å; N185-E187 HydrophobicContact CB-CG 4.36Å; N185-E187 PolarHBondContact O-N 3.32Å |
| 186 | N | 87.4 | Confident | 93.5 | Very high | 138 Ų | 138 | 69 Ų | 69 | 74% | 0.738 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 60.4 | 18.8 | -174.2 | -62.9 | -22.5 | 0 | 0 | 0 | 114.6 | N183 | N183-N186 PolarHBondContact O-N 2.77Å; N183-N186 PolarHBondContact OD1-N 3.26Å |
| 187 | E | 89.4 | Confident | 93 | Very high | 111 Ų | 111 | 70.2 Ų | 70.2 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | trans | -90.5 | 138.7 | 174.1 | -59.8 | -178.9 | 147.2 | 0 | 0 | 110.1 | T182 N183 N185 D189 | T182-E187 CarbonylContact C-O 3.58Å; T182-E187 WeakPolarHBondContact CA-O 3.3Å; N183-E187 PolarHBondContact N-O 3.39Å; N183-E187 PolarHBondContact OD1-N 3.13Å; N183-E187 VanDerWaalsContact OD1-N 3.08Å; N183-E187 PolarHBondContact OD1-O 2.89Å; N185-E187 HydrophobicContact CB-CG 4.36Å; N185-E187 PolarHBondContact O-N 3.32Å; E187-D189 PolarHBondContact O-N 3.39Å; E187-D189 VanDerWaalsContact O-N 3.14Å | ||
| 188 | V | 91.9 | Very high | 91.7 | Very high | 35 Ų | 35 | 71 Ų | 71 | 21% | 0.212 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 116.9 | 173.9 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | V117 T180 T182 I191 | V117-V188 HydrophobicContact CG1-CB 4.13Å; V117-V188 HydrophobicContact CG1-CG1 3.76Å; V117-V188 WeakPolarHBondContact CG1-O 3.35Å; T180-V188 HydrophobicContact CG2-CG1 4.03Å; T180-V188 HydrophobicContact CG2-CG2 4.47Å; T182-V188 HydrophobicContact CG2-CG2 4.3Å; V188-I191 HydrophobicContact CG1-CG1 4.3Å |
| 189 | D | 92.6 | Very high | 90.9 | Very high | 71 Ų | 71 | 74.6 Ų | 74.6 | 38% | 0.38 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -26 | 179.4 | -171.1 | 48.2 | 0 | 0 | 0 | 111.6 | V117 I181 N183 E187 | V117-D189 WeakPolarHBondContact CG2-O 3.26Å; I181-D189 PolarHBondContact O-N 3.39Å; N183-D189 HydrophobicContact CB-CB 4.2Å; E187-D189 PolarHBondContact O-N 3.39Å; E187-D189 VanDerWaalsContact O-N 3.14Å |
| 190 | K | 97.1 | Very high | 90.4 | Very high | 27 Ų | 27 | 77.4 Ų | 77.4 | 12% | 0.117 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 138.8 | -176.7 | 175.4 | 173.9 | -168.7 | 152.4 | 0 | 112.4 | I181 E205 V206 E207 | I181-K190 HydrophobicContact CB-CB 4.14Å; I181-K190 HydrophobicContact CD1-CB 4.47Å; I181-K190 HydrophobicContact CD1-CD 3.8Å; I181-K190 HydrophobicContact CD1-CG 4.11Å; I181-K190 PolarHBondContact N-O 2.84Å; I181-K190 PolarHBondContact O-N 3.41Å; K190-E205 HydrophobicContact CD-CG 4.47Å; K190-E205 VanDerWaalsContact CE-OE1 3.27Å; K190-E205 WeakPolarHBondContact CE-OE1 3.27Å; K190-E205 WeakPolarHBondContact CE-OE2 3.29Å; K190-E205 HydrophobicContact CG-CG 4.46Å; K190-E205 IonicContact NZ-OE1 3.98Å; K190-E205 PolarHBondContact NZ-OE1 3.31Å; K190-E205 IonicContact NZ-OE2 3.35Å; K190-E205 PolarHBondContact NZ-OE2 3.08Å; K190-V206 WeakPolarHBondContact CA-O 3.18Å; K190-E207 HydrophobicContact CB-CG 4.12Å; K190-E207 HydrophobicContact CD-CG 3.92Å; K190-E207 WeakPolarHBondContact CD-OE1 3.45Å; K190-E207 VanDerWaalsContact CE-OE1 3.31Å; K190-E207 WeakPolarHBondContact CE-OE1 3.32Å; K190-E207 HydrophobicContact CG-CG 3.87Å; K190-E207 IonicContact NZ-OE1 2.82Å; K190-E207 PolarHBondContact NZ-OE1 2.99Å |
| 191 | I | 97.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.1 | 175.7 | -55.5 | 154.8 | 0 | 0 | 0 | 107.3 | V117 W120 L178 V188 Y193 E205 V206 | V117-I191 HydrophobicContact CB-CD1 4.04Å; V117-I191 HydrophobicContact CG1-CD1 3.82Å; V117-I191 HydrophobicContact CG1-CG1 3.98Å; V117-I191 HydrophobicContact CG2-CD1 3.93Å; V117-I191 HydrophobicContact CG2-CG1 4.15Å; W120-I191 HydrophobicContact CB-CD1 3.8Å; W120-I191 HydrophobicContact CD2-CD1 3.28Å; W120-I191 HydrophobicContact CD2-CG1 4.15Å; W120-I191 HydrophobicContact CE3-CD1 3.22Å; W120-I191 HydrophobicContact CE3-CG1 3.82Å; W120-I191 HydrophobicContact CG-CD1 3.57Å; W120-I191 HydrophobicContact CH2-CD1 4.41Å; W120-I191 HydrophobicContact CH2-CG1 4.25Å; W120-I191 HydrophobicContact CH2-CG2 4.32Å; W120-I191 HydrophobicContact CZ2-CD1 4.49Å; W120-I191 HydrophobicContact CZ2-CG2 4.06Å; W120-I191 HydrophobicContact CZ3-CD1 3.83Å; W120-I191 HydrophobicContact CZ3-CG1 3.87Å; L178-I191 HydrophobicContact CD1-CG2 3.51Å; V188-I191 HydrophobicContact CG1-CG1 4.3Å; I191-Y193 HydrophobicContact CG2-CD2 4.04Å; I191-Y193 HydrophobicContact CG2-CE2 3.56Å; I191-E205 WeakPolarHBondContact O-CA 3.43Å; I191-V206 HydrophobicContact CB-CB 4.26Å; I191-V206 HydrophobicContact CD1-CB 4.34Å; I191-V206 HydrophobicContact CD1-CG1 4.47Å; I191-V206 PolarHBondContact N-O 2.91Å; I191-V206 PolarHBondContact O-N 2.94Å |
| 192 | R | 97.6 | Very high | 90.3 | Very high | 44 Ų | 44 | 78.8 Ų | 78.8 | 17% | 0.166 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 133.3 | 175.6 | -175.5 | -173.9 | -68.5 | 143.8 | -5.3 | 110.6 | L178 E179 R194 V202 L204 E205 | L178-R192 CarbonylContact C-O 3.43Å; E179-R192 HydrophobicContact CB-CB 4.32Å; E179-R192 PolarHBondContact N-O 2.93Å; E179-R192 PolarHBondContact O-N 3.33Å; E179-R192 IonicContact OE2-NH1 3.66Å; R192-R194 HydrophobicContact CG-CG 4.34Å; R192-V202 HydrophobicContact CG-CG1 3.9Å; R192-V202 HydrophobicContact CG-CG2 4.4Å; R192-L204 CarbonylContact C-O 3.46Å; R192-L204 WeakPolarHBondContact CA-O 3.39Å; R192-E205 IonicContact CZ-OE2 2.81Å; R192-E205 VanDerWaalsContact CZ-OE2 3.25Å; R192-E205 IonicContact NE-OE2 2.9Å; R192-E205 PolarHBondContact NE-OE2 3.15Å; R192-E205 IonicContact NH2-OE2 3.33Å; R192-E205 PolarHBondContact NH2-OE2 2.79Å |
| 193 | Y | 97.3 | Very high | 90.4 | Very high | 6 Ų | 6 | 76.3 Ų | 76.3 | 2% | 0.024 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.2 | 171.4 | -68.8 | -92.1 | 0 | 0 | 0 | 110 | W120 F168 C173 T176 K177 L178 I191 I203 L204 | W120-Y193 WeakPolarHBondContact CZ2-OH 3.46Å; W120-Y193 PolarHBondContact NE1-OH 3.24Å; W120-Y193 VanDerWaalsContact NE1-OH 3.12Å; F168-Y193 HydrophobicContact CB-CE2 4.07Å; F168-Y193 HydrophobicContact CD2-CE2 4.12Å; F168-Y193 HydrophobicContact CG-CE2 4.49Å; C173-Y193 HydrophobicContact CB-CD1 3.62Å; C173-Y193 HydrophobicContact CB-CD2 4.31Å; C173-Y193 HydrophobicContact CB-CE1 4.02Å; C173-Y193 HydrophobicContact CB-CG 3.73Å; T176-Y193 WeakPolarHBondContact OG1-CB 3.44Å; T176-Y193 WeakPolarHBondContact OG1-CD1 3.43Å; K177-Y193 WeakPolarHBondContact O-CA 3.13Å; L178-Y193 HydrophobicContact CB-CD1 4.09Å; L178-Y193 HydrophobicContact CB-CE1 3.85Å; L178-Y193 HydrophobicContact CD1-CD1 4.38Å; L178-Y193 HydrophobicContact CD1-CD2 4.47Å; L178-Y193 HydrophobicContact CD1-CE1 3.98Å; L178-Y193 HydrophobicContact CD1-CE2 4.03Å; L178-Y193 HydrophobicContact CG-CE1 4.36Å; I191-Y193 HydrophobicContact CG2-CD2 4.04Å; I191-Y193 HydrophobicContact CG2-CE2 3.56Å; Y193-I203 PolarHBondContact O-N 3.05Å; Y193-L204 HydrophobicContact CD2-CB 4.11Å; Y193-L204 HydrophobicContact CD2-CD2 3.87Å; Y193-L204 HydrophobicContact CD2-CG 4.23Å; Y193-L204 HydrophobicContact CE2-CD2 4.15Å; Y193-L204 PolarHBondContact N-O 3.33Å; Y193-L204 PolarHBondContact O-N 3.32Å |
| 194 | R | 95.8 | Very high | 90.7 | Very high | 56 Ų | 56 | 74 Ų | 74 | 21% | 0.211 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 144.4 | 179 | -67.7 | 179.8 | -179.4 | -84 | -0.3 | 111.7 | T176 K177 E179 R192 I196 Q200 K201 V202 | T176-R194 CarbonylContact C-O 3.56Å; T176-R194 WeakPolarHBondContact CA-O 3.37Å; T176-R194 WeakPolarHBondContact CB-O 3.45Å; K177-R194 PolarHBondContact N-O 3.24Å; K177-R194 PolarHBondContact O-N 3.07Å; E179-R194 IonicContact OE1-NE 2.81Å; E179-R194 IonicContact OE2-CZ 3.77Å; E179-R194 IonicContact OE2-NE 3.48Å; E179-R194 PolarHBondContact OE2-NE 3.25Å; R192-R194 HydrophobicContact CG-CG 4.34Å; R194-I196 PolarHBondContact O-N 3.15Å; R194-Q200 PolarHBondContact NH1-O 3.25Å; R194-K201 VanDerWaalsContact CA-O 3.25Å; R194-K201 WeakPolarHBondContact CA-O 3.25Å; R194-V202 HydrophobicContact CG-CG2 4.37Å |
| 195 | E | 93.1 | Very high | 91.1 | Very high | 83 Ų | 83 | 70.3 Ų | 70.3 | 39% | 0.388 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 141.1 | 171.9 | -67.4 | 179.9 | 164.1 | 0 | 0 | 111.4 | K201 I203 | E195-K201 HydrophobicContact CG-CB 4.48Å; E195-K201 PolarHBondContact N-O 3.27Å; E195-I203 HydrophobicContact CG-CD1 3.61Å; E195-I203 HydrophobicContact CG-CG1 3.63Å; E195-I203 WeakPolarHBondContact OE1-CD1 3.47Å |
| 196 | I | 88.3 | Confident | 91.6 | Very high | 127 Ų | 127 | 64.8 Ų | 64.8 | 65% | 0.651 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -82.5 | 117.9 | 170.8 | -59.4 | 170 | 0 | 0 | 0 | 107.3 | K177 R194 | K177-I196 HydrophobicContact CB-CG1 4.42Å; R194-I196 PolarHBondContact O-N 3.15Å |
| 197 | G | 84.8 | Confident | 92.1 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 110.1 | -131.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 198 | N | 67.3 | Low | 92.4 | Very high | 135 Ų | 135 | 61.5 Ų | 61.5 | 72% | 0.722 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -65.4 | 138.3 | -164.3 | -154.5 | 38.2 | 0 | 0 | 0 | 112.7 | Q200 | N198-Q200 PolarHBondContact O-N 3.08Š|
| 199 | D | 80.6 | Confident | 92.6 | Very high | 140 Ų | 140 | 66.8 Ų | 66.8 | 75% | 0.749 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | 57.7 | -8 | -178.4 | -58.4 | -21 | 0 | 0 | 0 | 118.1 | K201 | D199-K201 PolarHBondContact O-N 2.86Š|
| 200 | Q | 84.4 | Confident | 92.9 | Very high | 106 Ų | 106 | 64.5 Ų | 64.5 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | 44.5 | 41.4 | -179.1 | -64.7 | -171.4 | -2.3 | 0 | 0 | 112.8 | R194 N198 V202 | R194-Q200 PolarHBondContact NH1-O 3.25Å; N198-Q200 PolarHBondContact O-N 3.08Å; Q200-V202 PolarHBondContact O-N 3.37Å |
| 201 | K | 91.6 | Very high | 92.9 | Very high | 119 Ų | 119 | 63.7 Ų | 63.7 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | trans | -58.7 | 138 | -174.7 | -174.5 | -178.2 | 174.3 | -171.5 | 0 | 109.9 | R194 E195 D199 I203 | R194-K201 VanDerWaalsContact CA-O 3.25Å; R194-K201 WeakPolarHBondContact CA-O 3.25Å; E195-K201 HydrophobicContact CG-CB 4.48Å; E195-K201 PolarHBondContact N-O 3.27Å; D199-K201 PolarHBondContact O-N 2.86Å; K201-I203 PolarHBondContact O-N 2.92Å | ||
| 202 | V | 95.1 | Very high | 92.9 | Very high | 50 Ų | 50 | 66.5 Ų | 66.5 | 30% | 0.303 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 121.1 | 174 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | R192 R194 Q200 E205 | R192-V202 HydrophobicContact CG-CG1 3.9Å; R192-V202 HydrophobicContact CG-CG2 4.4Å; R194-V202 HydrophobicContact CG-CG2 4.37Å; Q200-V202 PolarHBondContact O-N 3.37Å; V202-E205 HydrophobicContact CG1-CB 4.16Å |
| 203 | I | 96.4 | Very high | 92.9 | Very high | 22 Ų | 22 | 65.9 Ų | 65.9 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -42.3 | 178.1 | -64.4 | -54.3 | 0 | 0 | 0 | 111.1 | T176 Y193 E195 K201 F213 A214 | T176-I203 HydrophobicContact CG2-CB 4.32Å; T176-I203 HydrophobicContact CG2-CG1 4.04Å; T176-I203 HydrophobicContact CG2-CG2 4.49Å; Y193-I203 PolarHBondContact O-N 3.05Å; E195-I203 HydrophobicContact CG-CD1 3.61Å; E195-I203 HydrophobicContact CG-CG1 3.63Å; E195-I203 WeakPolarHBondContact OE1-CD1 3.47Å; K201-I203 PolarHBondContact O-N 2.92Å; I203-F213 HydrophobicContact CG2-CD2 4.33Å; I203-F213 HydrophobicContact CG2-CE2 3.71Å; I203-F213 VanDerWaalsContact O-CD2 3.31Å; I203-F213 WeakPolarHBondContact O-CD2 3.48Å; I203-A214 WeakPolarHBondContact O-CB 3.4Å; I203-A214 PolarHBondContact O-N 3.21Å |
| 204 | L | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 135.7 | -179.6 | 176.8 | 60.4 | 0 | 0 | 0 | 109.7 | F168 R192 Y193 V206 F211 N212 F213 | F168-L204 HydrophobicContact CB-CD2 4.25Å; F168-L204 HydrophobicContact CD1-CD2 3.77Å; F168-L204 HydrophobicContact CD2-CD2 3.49Å; F168-L204 VanDerWaalsContact CD2-CD2 3.49Å; F168-L204 HydrophobicContact CE1-CD2 3.98Å; F168-L204 HydrophobicContact CE2-CD2 3.73Å; F168-L204 HydrophobicContact CG-CD2 3.54Å; F168-L204 HydrophobicContact CZ-CD2 3.96Å; R192-L204 CarbonylContact C-O 3.46Å; R192-L204 WeakPolarHBondContact CA-O 3.39Å; Y193-L204 HydrophobicContact CD2-CB 4.11Å; Y193-L204 HydrophobicContact CD2-CD2 3.87Å; Y193-L204 HydrophobicContact CD2-CG 4.23Å; Y193-L204 HydrophobicContact CE2-CD2 4.15Å; Y193-L204 PolarHBondContact N-O 3.33Å; Y193-L204 PolarHBondContact O-N 3.32Å; L204-V206 HydrophobicContact CD1-CG2 3.75Å; L204-V206 HydrophobicContact CD2-CG2 4.14Å; L204-V206 HydrophobicContact CG-CG2 3.84Å; L204-F211 HydrophobicContact CD1-CD2 3.91Å; L204-F211 HydrophobicContact CD1-CE2 3.46Å; L204-F211 VanDerWaalsContact CD1-CE2 3.46Å; L204-F211 HydrophobicContact CD1-CZ 3.97Å; L204-N212 CarbonylContact C-O 3.48Å; L204-N212 WeakPolarHBondContact CA-O 3.27Å; L204-F213 HydrophobicContact CB-CD2 4.09Å; L204-F213 HydrophobicContact CD1-CB 4.03Å; L204-F213 HydrophobicContact CD1-CD2 4.12Å |
| 205 | E | 98.3 | Very high | 92.8 | Very high | 38 Ų | 38 | 69.4 Ų | 69.4 | 18% | 0.178 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 124.5 | 171.3 | -169.2 | 169.5 | 97.1 | 0 | 0 | 110.4 | K190 I191 R192 V202 N212 | K190-E205 HydrophobicContact CD-CG 4.47Å; K190-E205 VanDerWaalsContact CE-OE1 3.27Å; K190-E205 WeakPolarHBondContact CE-OE1 3.27Å; K190-E205 WeakPolarHBondContact CE-OE2 3.29Å; K190-E205 HydrophobicContact CG-CG 4.46Å; K190-E205 IonicContact NZ-OE1 3.98Å; K190-E205 PolarHBondContact NZ-OE1 3.31Å; K190-E205 IonicContact NZ-OE2 3.35Å; K190-E205 PolarHBondContact NZ-OE2 3.08Å; I191-E205 WeakPolarHBondContact O-CA 3.43Å; R192-E205 IonicContact CZ-OE2 2.81Å; R192-E205 VanDerWaalsContact CZ-OE2 3.25Å; R192-E205 IonicContact NE-OE2 2.9Å; R192-E205 PolarHBondContact NE-OE2 3.15Å; R192-E205 IonicContact NH2-OE2 3.33Å; R192-E205 PolarHBondContact NH2-OE2 2.79Å; V202-E205 HydrophobicContact CG1-CB 4.16Å; E205-N212 HydrophobicContact CB-CB 4.41Å; E205-N212 PolarHBondContact N-O 3.35Å; E205-N212 PolarHBondContact O-N 2.91Å |
| 206 | V | 98.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.1 | -175.9 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | N116 V117 F168 K190 I191 L204 S210 F211 | N116-V206 HydrophobicContact CB-CG1 3.36Å; V117-V206 HydrophobicContact CG2-CG1 4.32Å; F168-V206 HydrophobicContact CE2-CG2 3.98Å; F168-V206 HydrophobicContact CZ-CG2 4.4Å; K190-V206 WeakPolarHBondContact CA-O 3.18Å; I191-V206 HydrophobicContact CB-CB 4.26Å; I191-V206 HydrophobicContact CD1-CB 4.34Å; I191-V206 HydrophobicContact CD1-CG1 4.47Å; I191-V206 PolarHBondContact N-O 2.91Å; I191-V206 PolarHBondContact O-N 2.94Å; L204-V206 HydrophobicContact CD1-CG2 3.75Å; L204-V206 HydrophobicContact CD2-CG2 4.14Å; L204-V206 HydrophobicContact CG-CG2 3.84Å; V206-S210 WeakPolarHBondContact CA-O 3.49Å; V206-F211 HydrophobicContact CG2-CD2 3.97Å; V206-F211 HydrophobicContact CG2-CE2 4.48Å |
| 207 | E | 98 | Very high | 93.2 | Very high | 69 Ų | 69 | 67 Ų | 67 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 177.1 | 174.3 | -60.8 | -179.8 | 164.7 | 0 | 0 | 108.9 | N116 K190 K209 S210 | N116-E207 WeakPolarHBondContact CB-O 3.14Å; N116-E207 PolarHBondContact ND2-O 3.04Å; K190-E207 HydrophobicContact CB-CG 4.12Å; K190-E207 HydrophobicContact CD-CG 3.92Å; K190-E207 WeakPolarHBondContact CD-OE1 3.45Å; K190-E207 VanDerWaalsContact CE-OE1 3.31Å; K190-E207 WeakPolarHBondContact CE-OE1 3.32Å; K190-E207 HydrophobicContact CG-CG 3.87Å; K190-E207 IonicContact NZ-OE1 2.82Å; K190-E207 PolarHBondContact NZ-OE1 2.99Å; E207-K209 PolarHBondContact O-N 3.22Å; E207-S210 PolarHBondContact N-O 3.33Å; E207-S210 PolarHBondContact O-N 2.69Å; E207-S210 VanDerWaalsContact O-O 3.06Å |
| 208 | K | 96.1 | Very high | 93.7 | Very high | 110 Ų | 110 | 66.6 Ų | 66.6 | 48% | 0.478 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.5 | -45.4 | -178 | -177.6 | 168.4 | -177.2 | 172.8 | 0 | 115.4 | H115 N116 | H115-K208 WeakPolarHBondContact CA-O 3.48Å; H115-K208 HydrophobicContact CB-CG 4.27Å; H115-K208 VanDerWaalsContact CD2-CG 3.43Å; H115-K208 WeakPolarHBondContact CD2-CG 3.06Å; H115-K208 VanDerWaalsContact CE1-CA 3.48Å; H115-K208 WeakPolarHBondContact CE1-CA 3.5Å; N116-K208 PolarHBondContact N-O 3.01Å; N116-K208 VanDerWaalsContact N-O 3.1Å |
| 209 | K | 96.6 | Very high | 95.1 | Very high | 147 Ų | 147 | 60.2 Ų | 60.2 | 64% | 0.639 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | 17.4 | 179.4 | -61.9 | -171.8 | 177.6 | -179.1 | 0 | 114 | E207 T267 | E207-K209 PolarHBondContact O-N 3.22Å; K209-T267 CarbonylContact C-O 3.6Å; K209-T267 WeakPolarHBondContact O-CA 3.35Å |
| 210 | S | 98 | Very high | 95.9 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 16% | 0.161 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.1 | -177.9 | -160.3 | 0 | 0 | 0 | 0 | 110.4 | N116 V206 E207 N212 T266 | N116-S210 PolarHBondContact ND2-N 3.46Å; N116-S210 PolarHBondContact ND2-O 3.35Å; V206-S210 WeakPolarHBondContact CA-O 3.49Å; E207-S210 PolarHBondContact N-O 3.33Å; E207-S210 PolarHBondContact O-N 2.69Å; E207-S210 VanDerWaalsContact O-O 3.06Å; S210-N212 PolarHBondContact OG-ND2 3.4Å; S210-T266 CarbonylContact C-O 3.57Å; S210-T266 WeakPolarHBondContact CA-O 3.42Å |
| 211 | F | 98.2 | Very high | 96.4 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 99 | 177 | 174.3 | -95.7 | 0 | 0 | 0 | 107 | F168 L204 V206 F213 F219 T266 R268 C269 | F168-F211 AromaticContact CE1-CE2 3.81Å; F168-F211 HydrophobicContact CE1-CE2 3.81Å; F168-F211 HydrophobicContact CZ-CD2 4.2Å; F168-F211 AromaticContact CZ-CE2 3.61Å; F168-F211 HydrophobicContact CZ-CE2 3.61Å; L204-F211 HydrophobicContact CD1-CD2 3.91Å; L204-F211 HydrophobicContact CD1-CE2 3.46Å; L204-F211 VanDerWaalsContact CD1-CE2 3.46Å; L204-F211 HydrophobicContact CD1-CZ 3.97Å; V206-F211 HydrophobicContact CG2-CD2 3.97Å; V206-F211 HydrophobicContact CG2-CE2 4.48Å; F211-F213 HydrophobicContact CE1-CB 3.78Å; F211-F213 HydrophobicContact CZ-CB 3.79Å; F211-F213 HydrophobicContact CZ-CG 4.5Å; F211-F219 HydrophobicContact CE1-CE2 4.08Å; F211-F219 HydrophobicContact CE1-CZ 4.2Å; F211-F219 HydrophobicContact CZ-CE2 4.08Å; F211-F219 AromaticContact CZ-CZ 3.85Å; F211-F219 HydrophobicContact CZ-CZ 3.85Å; F211-T266 CarbonylContact C-O 3.54Å; F211-T266 PolarHBondContact N-O 3.02Å; F211-T266 CarbonylContact O-C 3.49Å; F211-T266 VanDerWaalsContact O-CA 3.24Å; F211-T266 WeakPolarHBondContact O-CA 3.43Å; F211-T266 VanDerWaalsContact O-CB 3.23Å; F211-T266 WeakPolarHBondContact O-CB 3.31Å; F211-R268 WeakPolarHBondContact CD1-O 3.5Å; F211-C269 HydrophobicContact CD1-CB 4.46Å; F211-C269 HydrophobicContact CD2-CB 3.91Å; F211-C269 HydrophobicContact CE1-CB 4.32Å; F211-C269 HydrophobicContact CE2-CB 3.75Å; F211-C269 HydrophobicContact CG-CB 4.27Å; F211-C269 HydrophobicContact CZ-CB 3.97Å |
| 212 | N | 98 | Very high | 96.7 | Very high | 59 Ų | 59 | 54.3 Ų | 54.3 | 32% | 0.316 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 99.3 | -179.2 | -61.7 | -66.6 | 0 | 0 | 0 | 108.6 | L204 E205 S210 T266 | L204-N212 CarbonylContact C-O 3.48Å; L204-N212 WeakPolarHBondContact CA-O 3.27Å; E205-N212 HydrophobicContact CB-CB 4.41Å; E205-N212 PolarHBondContact N-O 3.35Å; E205-N212 PolarHBondContact O-N 2.91Å; S210-N212 PolarHBondContact OG-ND2 3.4Å; N212-T266 WeakPolarHBondContact OD1-CB 3.3Å |
| 213 | F | 97.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 55.1 Ų | 55.1 | 13% | 0.132 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 139.2 | 173.9 | -174.5 | -120.5 | 0 | 0 | 0 | 110.2 | L172 I203 L204 F211 D215 I218 F219 | L172-F213 HydrophobicContact CB-CE2 3.91Å; L172-F213 HydrophobicContact CB-CZ 4.05Å; L172-F213 HydrophobicContact CD1-CE2 4.43Å; L172-F213 HydrophobicContact CD1-CZ 4.49Å; L172-F213 HydrophobicContact CD2-CE1 4.29Å; L172-F213 HydrophobicContact CD2-CZ 4.03Å; L172-F213 HydrophobicContact CG-CZ 4.42Å; I203-F213 HydrophobicContact CG2-CD2 4.33Å; I203-F213 HydrophobicContact CG2-CE2 3.71Å; I203-F213 VanDerWaalsContact O-CD2 3.31Å; I203-F213 WeakPolarHBondContact O-CD2 3.48Å; L204-F213 HydrophobicContact CB-CD2 4.09Å; L204-F213 HydrophobicContact CD1-CB 4.03Å; L204-F213 HydrophobicContact CD1-CD2 4.12Å; F211-F213 HydrophobicContact CE1-CB 3.78Å; F211-F213 HydrophobicContact CZ-CB 3.79Å; F211-F213 HydrophobicContact CZ-CG 4.5Å; F213-D215 VanDerWaalsContact C-N 3.3Å; F213-D215 VanDerWaalsContact CD1-C 3.4Å; F213-D215 WeakPolarHBondContact CD1-O 3.43Å; F213-D215 HydrophobicContact CE1-CB 4.09Å; F213-D215 WeakPolarHBondContact CE1-O 3.4Å; F213-D215 PolarHBondContact O-N 2.78Å; F213-I218 HydrophobicContact CD1-CG2 4.22Å; F213-I218 HydrophobicContact CE1-CG2 3.64Å; F213-F219 AromaticContact CD1-CE2 3.96Å; F213-F219 HydrophobicContact CD1-CE2 3.96Å |
| 214 | A | 95.6 | Very high | 96.7 | Very high | 56 Ų | 56 | 54 Ų | 54 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -65.9 | -29.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I203 | I203-A214 WeakPolarHBondContact O-CB 3.4Å; I203-A214 PolarHBondContact O-N 3.21Å |
| 215 | D | 94.8 | Very high | 96.7 | Very high | 80 Ų | 80 | 57.1 Ų | 57.1 | 43% | 0.428 | 31% | 0.309 | S | S | . | . | trans | -129.2 | 77 | 178.2 | -175.3 | 17 | 0 | 0 | 0 | 112.4 | F213 N217 I218 | F213-D215 VanDerWaalsContact C-N 3.3Å; F213-D215 VanDerWaalsContact CD1-C 3.4Å; F213-D215 WeakPolarHBondContact CD1-O 3.43Å; F213-D215 HydrophobicContact CE1-CB 4.09Å; F213-D215 WeakPolarHBondContact CE1-O 3.4Å; F213-D215 PolarHBondContact O-N 2.78Å; D215-N217 PolarHBondContact O-N 3.06Å; D215-N217 WeakPolarHBondContact OD1-CB 3.26Å; D215-N217 PolarHBondContact OD1-N 3.46Å; D215-N217 PolarHBondContact OD1-ND2 2.84Å; D215-I218 WeakPolarHBondContact O-CG2 3.16Å; D215-I218 PolarHBondContact O-N 3.02Å | ||
| 216 | P | 93.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 58 Ų | 58 | 36% | 0.357 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -64.5 | -11.8 | -178.3 | 28 | -35.1 | 0 | 0 | 0 | 113.6 | I218 F219 | P216-I218 PolarHBondContact O-N 2.71Å; P216-F219 WeakPolarHBondContact O-CD2 3.31Å; P216-F219 PolarHBondContact O-N 2.87Å |
| 217 | N | 94.9 | Very high | 96.6 | Very high | 105 Ų | 105 | 58 Ų | 58 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -69.7 | -20.6 | 179.8 | -58.8 | -54.9 | 0 | 0 | 0 | 112.6 | D215 F219 Q220 A221 | D215-N217 PolarHBondContact O-N 3.06Å; D215-N217 WeakPolarHBondContact OD1-CB 3.26Å; D215-N217 PolarHBondContact OD1-N 3.46Å; D215-N217 PolarHBondContact OD1-ND2 2.84Å; N217-F219 PolarHBondContact O-N 2.83Å; N217-F219 VanDerWaalsContact O-N 3.15Å; N217-Q220 PolarHBondContact O-N 2.66Å; N217-A221 PolarHBondContact O-N 2.89Å |
| 218 | I | 96.4 | Very high | 96.6 | Very high | 43 Ų | 43 | 57 Ų | 57 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -56 | -32.4 | 176.6 | -162.6 | 167.8 | 0 | 0 | 0 | 112.2 | L172 F213 D215 P216 Q220 A221 | L172-I218 HydrophobicContact CD2-CD1 3.87Å; L172-I218 HydrophobicContact CD2-CG2 4.03Å; F213-I218 HydrophobicContact CD1-CG2 4.22Å; F213-I218 HydrophobicContact CE1-CG2 3.64Å; D215-I218 WeakPolarHBondContact O-CG2 3.16Å; D215-I218 PolarHBondContact O-N 3.02Å; P216-I218 PolarHBondContact O-N 2.71Å; I218-Q220 PolarHBondContact O-N 3.16Å; I218-A221 PolarHBondContact O-N 2.72Å |
| 219 | F | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -72.1 | -15.6 | 179.1 | -66.1 | -81.7 | 0 | 0 | 0 | 113 | L162 L167 L172 F211 F213 P216 N217 L227 P250 Y264 C269 P270 | L162-F219 HydrophobicContact CD1-CE1 4.19Å; L167-F219 HydrophobicContact CD2-CE1 4.31Å; L172-F219 HydrophobicContact CD1-CE1 4.46Å; L172-F219 HydrophobicContact CD1-CE2 4.44Å; L172-F219 HydrophobicContact CD1-CZ 3.71Å; F211-F219 HydrophobicContact CE1-CE2 4.08Å; F211-F219 HydrophobicContact CE1-CZ 4.2Å; F211-F219 HydrophobicContact CZ-CE2 4.08Å; F211-F219 AromaticContact CZ-CZ 3.85Å; F211-F219 HydrophobicContact CZ-CZ 3.85Å; F213-F219 AromaticContact CD1-CE2 3.96Å; F213-F219 HydrophobicContact CD1-CE2 3.96Å; P216-F219 WeakPolarHBondContact O-CD2 3.31Å; P216-F219 PolarHBondContact O-N 2.87Å; N217-F219 PolarHBondContact O-N 2.83Å; N217-F219 VanDerWaalsContact O-N 3.15Å; F219-L227 HydrophobicContact CB-CD1 4.44Å; F219-L227 HydrophobicContact CD1-CD1 3.42Å; F219-L227 VanDerWaalsContact CD1-CD1 3.42Å; F219-L227 HydrophobicContact CE1-CD1 3.91Å; F219-L227 HydrophobicContact CG-CD1 4.13Å; F219-P250 WeakPolarHBondContact O-CD 3.39Å; F219-Y264 HydrophobicContact CB-CD2 4.17Å; F219-Y264 HydrophobicContact CB-CE2 3.55Å; F219-C269 VanDerWaalsContact CE1-SG 3.6Å; F219-P270 HydrophobicContact CB-CB 3.92Å; F219-P270 HydrophobicContact CB-CG 4.01Å; F219-P270 HydrophobicContact CD1-CB 3.73Å; F219-P270 HydrophobicContact CD1-CG 3.92Å; F219-P270 HydrophobicContact CD2-CB 4.44Å; F219-P270 HydrophobicContact CD2-CG 3.78Å; F219-P270 HydrophobicContact CE1-CB 4.36Å; F219-P270 HydrophobicContact CE1-CG 4.33Å; F219-P270 HydrophobicContact CE2-CG 4.21Å; F219-P270 HydrophobicContact CG-CB 3.78Å; F219-P270 HydrophobicContact CG-CG 3.63Å; F219-P270 HydrophobicContact CZ-CG 4.46Å |
| 220 | Q | 96 | Very high | 96.7 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -18.4 | 177 | -57.2 | -175.6 | -5.6 | 0 | 0 | 112.4 | N217 I218 N222 N223 K262 Y264 | N217-Q220 PolarHBondContact O-N 2.66Å; I218-Q220 PolarHBondContact O-N 3.16Å; Q220-N222 PolarHBondContact O-N 3.15Å; Q220-N223 PolarHBondContact O-N 3.5Å; Q220-K262 PolarHBondContact NE2-O 2.86Å; Q220-K262 PolarHBondContact OE1-O 2.77Å; Q220-Y264 HydrophobicContact CG-CD2 4.35Å; Q220-Y264 HydrophobicContact CG-CE2 3.45Å; Q220-Y264 VanDerWaalsContact CG-CE2 3.45Å; Q220-Y264 VanDerWaalsContact NE2-CE2 3.31Å |
| 221 | A | 96.4 | Very high | 96.7 | Very high | 57 Ų | 57 | 51 Ų | 51 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -56.8 | 121.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | N217 I218 N223 G224 | N217-A221 PolarHBondContact O-N 2.89Å; I218-A221 PolarHBondContact O-N 2.72Å; A221-N223 PolarHBondContact O-N 3.29Å; A221-G224 PolarHBondContact O-N 2.74Å |
| 222 | N | 96.3 | Very high | 96.7 | Very high | 129 Ų | 129 | 54.6 Ų | 54.6 | 69% | 0.69 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | 47.4 | 45.7 | -174.1 | -166 | 50.4 | 0 | 0 | 0 | 112.6 | Q220 G224 T225 | Q220-N222 PolarHBondContact O-N 3.15Å; N222-G224 PolarHBondContact O-N 3.06Å; N222-T225 PolarHBondContact O-N 3.03Å; N222-T225 PolarHBondContact O-OG1 3.28Å |
| 223 | N | 96.5 | Very high | 96.7 | Very high | 67 Ų | 67 | 52.9 Ų | 52.9 | 36% | 0.358 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | 54.1 | 23.9 | -177.8 | -63.2 | -26.8 | 0 | 0 | 0 | 114.1 | Q220 A221 T225 T247 P249 W272 | Q220-N223 PolarHBondContact O-N 3.5Å; A221-N223 PolarHBondContact O-N 3.29Å; N223-T225 PolarHBondContact O-N 2.94Å; N223-T247 PolarHBondContact ND2-O 2.7Å; N223-P249 WeakPolarHBondContact O-CA 3.32Å; N223-W272 WeakPolarHBondContact O-CZ2 3.27Å |
| 224 | G | 96.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | 70.6 | 13.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A221 N222 S226 L227 W272 | A221-G224 PolarHBondContact O-N 2.74Å; N222-G224 PolarHBondContact O-N 3.06Å; G224-S226 PolarHBondContact O-N 2.97Å; G224-L227 WeakPolarHBondContact O-CA 2.91Å; G224-L227 VanDerWaalsContact O-CB 3.3Å; G224-L227 WeakPolarHBondContact O-CB 3.44Å; G224-L227 PolarHBondContact O-N 3.45Å; G224-W272 WeakPolarHBondContact O-CH2 3.32Å |
| 225 | T | 96.4 | Very high | 96.7 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -51.7 | -36.4 | -174.9 | -58.1 | 0 | 0 | 0 | 0 | 113.6 | N222 N223 L227 L228 | N222-T225 PolarHBondContact O-N 3.03Å; N222-T225 PolarHBondContact O-OG1 3.28Å; N223-T225 PolarHBondContact O-N 2.94Å; T225-L227 PolarHBondContact O-N 2.84Å; T225-L228 HydrophobicContact CG2-CD1 4.34Å; T225-L228 WeakPolarHBondContact O-CB 3.46Å; T225-L228 PolarHBondContact O-N 3.2Å |
| 226 | S | 96.6 | Very high | 96.8 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -66.4 | -13.8 | 176.8 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | G224 | G224-S226 PolarHBondContact O-N 2.97Š|
| 227 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -98.6 | -11.4 | -179.1 | -49.8 | -179 | 0 | 0 | 0 | 112.5 | L162 L167 F219 G224 T225 E229 Y230 W272 | L162-L227 HydrophobicContact CD1-CB 4.21Å; L167-L227 HydrophobicContact CD1-CD2 3.85Å; F219-L227 HydrophobicContact CB-CD1 4.44Å; F219-L227 HydrophobicContact CD1-CD1 3.42Å; F219-L227 VanDerWaalsContact CD1-CD1 3.42Å; F219-L227 HydrophobicContact CE1-CD1 3.91Å; F219-L227 HydrophobicContact CG-CD1 4.13Å; G224-L227 WeakPolarHBondContact O-CA 2.91Å; G224-L227 VanDerWaalsContact O-CB 3.3Å; G224-L227 WeakPolarHBondContact O-CB 3.44Å; G224-L227 PolarHBondContact O-N 3.45Å; T225-L227 PolarHBondContact O-N 2.84Å; L227-E229 PolarHBondContact O-N 2.95Å; L227-Y230 PolarHBondContact O-N 2.81Å; L227-W272 HydrophobicContact CB-CH2 4.32Å; L227-W272 HydrophobicContact CB-CZ3 4.49Å |
| 228 | L | 97.9 | Very high | 96.8 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -61.8 | -24 | 179.6 | -73.6 | 170.7 | 0 | 0 | 0 | 112.6 | T225 Y230 D231 I246 W272 | T225-L228 HydrophobicContact CG2-CD1 4.34Å; T225-L228 WeakPolarHBondContact O-CB 3.46Å; T225-L228 PolarHBondContact O-N 3.2Å; L228-Y230 PolarHBondContact O-N 3.02Å; L228-D231 PolarHBondContact O-N 3.05Å; L228-I246 HydrophobicContact CD2-CB 4.33Å; L228-I246 HydrophobicContact CD2-CD1 4.31Å; L228-I246 HydrophobicContact CD2-CG2 4.37Å; L228-W272 HydrophobicContact CD2-CD2 4.11Å; L228-W272 HydrophobicContact CD2-CE3 3.84Å; L228-W272 HydrophobicContact CD2-CH2 3.61Å; L228-W272 HydrophobicContact CD2-CZ2 3.85Å; L228-W272 HydrophobicContact CD2-CZ3 3.58Å; L228-W272 HydrophobicContact CG-CH2 3.84Å; L228-W272 HydrophobicContact CG-CZ2 4.24Å; L228-W272 HydrophobicContact CG-CZ3 4.15Å |
| 229 | E | 97.6 | Very high | 96.6 | Very high | 123 Ų | 123 | 57.2 Ų | 57.2 | 58% | 0.575 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -62.2 | -23.5 | 173.4 | 68.7 | 175.5 | 115.8 | 0 | 0 | 113.3 | L227 K232 | L227-E229 PolarHBondContact O-N 2.95Å; E229-K232 VanDerWaalsContact O-CE 3.25Å; E229-K232 WeakPolarHBondContact O-CE 3.43Å; E229-K232 WeakPolarHBondContact O-CG 3.32Å |
| 230 | Y | 98.5 | Very high | 96.5 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 4% | 0.039 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -91.7 | -7.9 | 175.7 | -53.7 | -73.7 | 0 | 0 | 0 | 112.6 | L162 D163 E166 L167 H171 L227 L228 K232 | L162-Y230 CarbonylContact C-O 3.57Å; L162-Y230 WeakPolarHBondContact CA-O 3.42Å; D163-Y230 PolarHBondContact N-O 3.31Å; E166-Y230 HydrophobicContact CB-CD1 3.93Å; E166-Y230 HydrophobicContact CB-CE1 3.97Å; L167-Y230 HydrophobicContact CB-CD1 4.07Å; L167-Y230 HydrophobicContact CB-CD2 4.23Å; L167-Y230 HydrophobicContact CB-CG 3.93Å; L167-Y230 HydrophobicContact CD1-CD2 3.53Å; L167-Y230 HydrophobicContact CD1-CE2 3.78Å; L167-Y230 HydrophobicContact CD1-CG 4.09Å; L167-Y230 HydrophobicContact CG-CD2 4.46Å; H171-Y230 HydrophobicContact CB-CE2 3.81Å; H171-Y230 WeakPolarHBondContact CB-OH 3.45Å; H171-Y230 AromaticContact CG-CE2 3.93Å; H171-Y230 AromaticContact ND1-CE2 3.73Å; L227-Y230 PolarHBondContact O-N 2.81Å; L228-Y230 PolarHBondContact O-N 3.02Å; Y230-K232 PolarHBondContact O-N 3.34Å; Y230-K232 VanDerWaalsContact O-N 3.13Å |
| 231 | D | 98.3 | Very high | 96.5 | Very high | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | trans | -83.1 | 78.8 | 170.8 | -175.6 | 15.9 | 0 | 0 | 0 | 110.6 | L162 L228 W272 R275 | L162-D231 HydrophobicContact CD2-CB 3.9Å; L228-D231 PolarHBondContact O-N 3.05Å; D231-W272 HydrophobicContact CB-CE3 4.47Å; D231-R275 IonicContact OD1-NH1 3.96Å; D231-R275 IonicContact OD2-CZ 2.79Å; D231-R275 IonicContact OD2-NH1 3.84Å; D231-R275 PolarHBondContact OD2-NH1 3.09Å; D231-R275 IonicContact OD2-NH2 3.75Å; D231-R275 PolarHBondContact OD2-NH2 3.05Å | ||
| 232 | K | 97.4 | Very high | 96.5 | Very high | 85 Ų | 85 | 58.8 Ų | 58.8 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | trans | -98 | -12.7 | -166.9 | -61.5 | -176.9 | -176.8 | -173.4 | 0 | 114.7 | D163 E166 E229 Y230 L234 G235 | D163-K232 HydrophobicContact CB-CD 4.41Å; E166-K232 IonicContact OE1-NZ 3.87Å; E166-K232 PolarHBondContact OE1-NZ 3.34Å; E166-K232 IonicContact OE2-NZ 3.15Å; E166-K232 PolarHBondContact OE2-NZ 3.17Å; E229-K232 VanDerWaalsContact O-CE 3.25Å; E229-K232 WeakPolarHBondContact O-CE 3.43Å; E229-K232 WeakPolarHBondContact O-CG 3.32Å; Y230-K232 PolarHBondContact O-N 3.34Å; Y230-K232 VanDerWaalsContact O-N 3.13Å; K232-L234 VanDerWaalsContact C-N 3.35Å; K232-L234 PolarHBondContact O-N 2.75Å; K232-G235 WeakPolarHBondContact O-CA 3.34Å; K232-G235 PolarHBondContact O-N 2.96Å | ||
| 233 | E | 98.1 | Very high | 96.5 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -64.9 | -36.5 | -167.5 | -67.5 | -167.2 | -129.2 | 0 | 0 | 113.2 | A128 R131 F160 R161 G235 A236 | A128-E233 WeakPolarHBondContact CA-OE2 3.16Å; A128-E233 HydrophobicContact CB-CG 3.92Å; R131-E233 IonicContact CZ-OE1 3.34Å; R131-E233 VanDerWaalsContact CZ-OE1 3.31Å; R131-E233 IonicContact CZ-OE2 3.49Å; R131-E233 IonicContact NE-OE1 3.63Å; R131-E233 PolarHBondContact NE-OE1 3.38Å; R131-E233 VanDerWaalsContact NE-OE1 3.17Å; R131-E233 IonicContact NE-OE2 2.97Å; R131-E233 PolarHBondContact NE-OE2 2.69Å; R131-E233 IonicContact NH2-OE1 3.92Å; R131-E233 PolarHBondContact NH2-OE1 3.01Å; R131-E233 IonicContact NH2-OE2 2.76Å; F160-E233 WeakPolarHBondContact CA-OE1 3.37Å; F160-E233 HydrophobicContact CB-CB 4.3Å; F160-E233 HydrophobicContact CD1-CB 3.73Å; F160-E233 HydrophobicContact CD1-CG 4.32Å; F160-E233 VanDerWaalsContact CD1-OE2 3.3Å; F160-E233 WeakPolarHBondContact CD1-OE2 3.48Å; F160-E233 HydrophobicContact CD2-CB 4.1Å; F160-E233 HydrophobicContact CE1-CB 4.01Å; F160-E233 HydrophobicContact CE2-CB 4.35Å; F160-E233 HydrophobicContact CG-CB 3.79Å; F160-E233 HydrophobicContact CG-CG 4.5Å; F160-E233 HydrophobicContact CZ-CB 4.31Å; R161-E233 PolarHBondContact N-OE1 3.36Å; E233-G235 PolarHBondContact O-N 3.5Å; E233-G235 VanDerWaalsContact O-N 3.17Å; E233-A236 PolarHBondContact O-N 3.08Å |
| 234 | L | 97.1 | Very high | 96.5 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -60.6 | -24.9 | 174.4 | -176.3 | 61.2 | 0 | 0 | 0 | 112.4 | F160 K232 A236 F237 V241 E243 L277 | F160-L234 HydrophobicContact CE2-CB 4.36Å; K232-L234 VanDerWaalsContact C-N 3.35Å; K232-L234 PolarHBondContact O-N 2.75Å; L234-A236 PolarHBondContact O-N 2.76Å; L234-A236 VanDerWaalsContact O-N 3.09Å; L234-F237 PolarHBondContact O-N 3.17Å; L234-V241 HydrophobicContact CD1-CG2 4.01Å; L234-E243 HydrophobicContact CD2-CB 3.83Å; L234-L277 HydrophobicContact CD1-CD1 3.79Å; L234-L277 HydrophobicContact CD1-CD2 3.95Å; L234-L277 HydrophobicContact CD1-CG 4.5Å; L234-L277 HydrophobicContact CD2-CD2 4.27Å |
| 235 | G | 96.6 | Very high | 96.4 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -53.4 | -32.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K232 E233 F237 | K232-G235 WeakPolarHBondContact O-CA 3.34Å; K232-G235 PolarHBondContact O-N 2.96Å; E233-G235 PolarHBondContact O-N 3.5Å; E233-G235 VanDerWaalsContact O-N 3.17Å; G235-F237 PolarHBondContact O-N 3.42Å |
| 236 | A | 96 | Very high | 96.5 | Very high | 51 Ų | 51 | 57.5 Ų | 57.5 | 42% | 0.421 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -70.9 | -10.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E233 L234 | E233-A236 PolarHBondContact O-N 3.08Å; L234-A236 PolarHBondContact O-N 2.76Å; L234-A236 VanDerWaalsContact O-N 3.09Å |
| 237 | F | 96.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -124.6 | 9.1 | -171.3 | -52.9 | -78.8 | 0 | 0 | 0 | 114.4 | R132 M135 D136 L139 L234 G235 D239 Q240 V241 | R132-F237 HydrophobicContact CB-CZ 4.3Å; R132-F237 HydrophobicContact CG-CE1 4.46Å; R132-F237 HydrophobicContact CG-CE2 4.42Å; R132-F237 HydrophobicContact CG-CZ 3.74Å; M135-F237 HydrophobicContact CB-CE1 3.95Å; M135-F237 HydrophobicContact CB-CE2 4.14Å; M135-F237 HydrophobicContact CB-CZ 3.53Å; M135-F237 HydrophobicContact CG-CD1 4.08Å; M135-F237 HydrophobicContact CG-CD2 4.27Å; M135-F237 HydrophobicContact CG-CE1 3.6Å; M135-F237 HydrophobicContact CG-CE2 3.83Å; M135-F237 HydrophobicContact CG-CG 4.38Å; M135-F237 HydrophobicContact CG-CZ 3.47Å; M135-F237 VanDerWaalsContact CG-CZ 3.47Å; D136-F237 WeakPolarHBondContact OD1-CE1 3.42Å; L139-F237 HydrophobicContact CD1-CD1 3.68Å; L139-F237 HydrophobicContact CD1-CE1 4.16Å; L234-F237 PolarHBondContact O-N 3.17Å; G235-F237 PolarHBondContact O-N 3.42Å; F237-D239 PolarHBondContact O-N 2.93Å; F237-Q240 PolarHBondContact O-N 3.1Å; F237-V241 HydrophobicContact CB-CG2 3.7Å; F237-V241 PolarHBondContact O-N 3.2Å |
| 238 | R | 93.1 | Very high | 96.4 | Very high | 186 Ų | 186 | 58.1 Ų | 58.1 | 70% | 0.702 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23 | -174 | -70.6 | 179.6 | 177.4 | 179 | 2.3 | 114.7 | Q240 | R238-Q240 VanDerWaalsContact C-N 3.34Š|
| 239 | D | 92.4 | Very high | 96.4 | Very high | 160 Ų | 160 | 56.6 Ų | 56.6 | 86% | 0.856 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -13.7 | 176.5 | -61.4 | -36 | 0 | 0 | 0 | 113.1 | F237 | F237-D239 PolarHBondContact O-N 2.93Š|
| 240 | Q | 94.1 | Very high | 96.4 | Very high | 90 Ų | 90 | 50.7 Ų | 50.7 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -39 | -173.7 | -64.4 | -179.1 | 75 | 0 | 0 | 112.6 | L139 F237 R238 | L139-Q240 HydrophobicContact CD1-CB 4.41Å; F237-Q240 PolarHBondContact O-N 3.1Å; R238-Q240 VanDerWaalsContact C-N 3.34Å |
| 241 | V | 96.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 156 | -177.5 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | M135 L139 F152 L154 L234 F237 L277 L278 | M135-V241 HydrophobicContact CE-CG2 4.41Å; L139-V241 HydrophobicContact CD2-CG1 3.96Å; F152-V241 HydrophobicContact CE2-CG1 3.68Å; F152-V241 HydrophobicContact CZ-CG1 3.91Å; L154-V241 HydrophobicContact CD1-CG1 4.2Å; L234-V241 HydrophobicContact CD1-CG2 4.01Å; F237-V241 HydrophobicContact CB-CG2 3.7Å; F237-V241 PolarHBondContact O-N 3.2Å; V241-L277 HydrophobicContact CB-CB 4.39Å; V241-L277 HydrophobicContact CG2-CD1 4.22Å; V241-L278 CarbonylContact C-O 3.57Å; V241-L278 WeakPolarHBondContact CA-O 3.4Å; V241-L278 WeakPolarHBondContact CB-O 3.47Å |
| 242 | D | 95.8 | Very high | 96.4 | Very high | 53 Ų | 53 | 50.6 Ų | 50.6 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 166.6 | -179.4 | -154 | -23.3 | 0 | 0 | 0 | 109.8 | L277 L278 I280 K283 | D242-L277 CarbonylContact O-C 3.37Å; D242-L277 WeakPolarHBondContact O-CA 3.43Å; D242-L278 PolarHBondContact N-O 3.24Å; D242-L278 PolarHBondContact O-N 3.16Å; D242-I280 HydrophobicContact CB-CD1 4.32Å; D242-K283 HydrophobicContact CB-CD 3.97Å; D242-K283 IonicContact OD1-NZ 2.73Å; D242-K283 PolarHBondContact OD1-NZ 3.22Å; D242-K283 WeakPolarHBondContact OD2-CD 3.15Å; D242-K283 WeakPolarHBondContact OD2-CE 3.38Å; D242-K283 IonicContact OD2-NZ 3.98Å; D242-K283 PolarHBondContact OD2-NZ 2.86Å |
| 243 | E | 97 | Very high | 96.4 | Very high | 19 Ų | 19 | 46.6 Ų | 46.6 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 150.3 | 178.7 | -164 | 173 | -160 | 0 | 0 | 110.5 | L234 R275 L277 Y298 | L234-E243 HydrophobicContact CD2-CB 3.83Å; E243-R275 VanDerWaalsContact CD-NE 3.33Å; E243-R275 WeakPolarHBondContact OE1-CD 3.37Å; E243-R275 IonicContact OE1-CZ 3.41Å; E243-R275 IonicContact OE1-NE 3.76Å; E243-R275 PolarHBondContact OE1-NE 2.95Å; E243-R275 IonicContact OE1-NH2 2.86Å; E243-R275 IonicContact OE2-CZ 3.14Å; E243-R275 VanDerWaalsContact OE2-CZ 3.28Å; E243-R275 IonicContact OE2-NE 2.66Å; E243-R275 PolarHBondContact OE2-NE 3.17Å; E243-R275 VanDerWaalsContact OE2-NE 3.16Å; E243-R275 IonicContact OE2-NH2 3.75Å; E243-R275 PolarHBondContact OE2-NH2 3.34Å; E243-L277 HydrophobicContact CB-CD2 3.81Å; E243-L277 HydrophobicContact CG-CD2 3.76Å; E243-Y298 HydrophobicContact CG-CE1 3.87Å; E243-Y298 PolarHBondContact OE1-OH 3.12Å |
| 244 | M | 95.7 | Very high | 96.4 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 22% | 0.217 | 24% | 0.236 | C | C | . | . | trans | -74.3 | 154.1 | 170.3 | -58.6 | -81.2 | 36.5 | 0 | 0 | 110.6 | I246 L278 M286 I296 Y298 L315 | M244-I246 PolarHBondContact O-N 3.39Å; M244-L278 HydrophobicContact CG-CD1 4.19Å; M244-M286 HydrophobicContact CG-CE 4.28Å; M244-M286 HydrophobicContact SD-CE 3.84Å; M244-I296 HydrophobicContact CG-CG2 4.45Å; M244-I296 HydrophobicContact SD-CG2 3.97Å; M244-Y298 HydrophobicContact CB-CD1 3.66Å; M244-Y298 HydrophobicContact CB-CE1 4.44Å; M244-Y298 HydrophobicContact CB-CG 3.99Å; M244-Y298 WeakPolarHBondContact O-CD1 3.16Å; M244-Y298 WeakPolarHBondContact O-CE1 3.5Å; M244-L315 HydrophobicContact CG-CD1 3.97Å | ||
| 245 | E | 95.3 | Very high | 96.3 | Very high | 155 Ų | 155 | 45.5 Ų | 45.5 | 72% | 0.724 | 24% | 0.237 | S | C | * | . | trans | -56.9 | 126.5 | -179.6 | -175 | 178.6 | -173.5 | 0 | 0 | 110.5 | T247 | E245-T247 HydrophobicContact CG-CG2 4.15Å; E245-T247 PolarHBondContact O-N 2.84Å | ||
| 246 | I | 97.6 | Very high | 96.2 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.082 | 25% | 0.25 | C | S | . | . | trans | -78.2 | 114.4 | 178 | -65.4 | 173.7 | 0 | 0 | 0 | 108.2 | L228 M244 F248 W272 R275 Y298 | L228-I246 HydrophobicContact CD2-CB 4.33Å; L228-I246 HydrophobicContact CD2-CD1 4.31Å; L228-I246 HydrophobicContact CD2-CG2 4.37Å; M244-I246 PolarHBondContact O-N 3.39Å; I246-F248 HydrophobicContact CG1-CZ 4.45Å; I246-F248 HydrophobicContact CG2-CD1 4.22Å; I246-F248 HydrophobicContact CG2-CD2 4.3Å; I246-F248 HydrophobicContact CG2-CE1 4.13Å; I246-F248 HydrophobicContact CG2-CE2 4.2Å; I246-F248 HydrophobicContact CG2-CG 4.33Å; I246-F248 HydrophobicContact CG2-CZ 4.12Å; I246-F248 WeakPolarHBondContact CG2-O 3.37Å; I246-W272 HydrophobicContact CD1-CG 4.42Å; I246-W272 HydrophobicContact CG2-CG 4.34Å; I246-W272 VanDerWaalsContact CG2-NE1 3.35Å; I246-R275 VanDerWaalsContact CD1-CZ 3.47Å; I246-Y298 HydrophobicContact CG1-CE1 3.88Å | ||
| 247 | T | 95.8 | Very high | 96.1 | Very high | 70 Ų | 70 | 50.7 Ų | 50.7 | 43% | 0.429 | 25% | 0.247 | S | C | . | . | trans | -117.3 | 14.7 | -179.9 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | N223 E245 | N223-T247 PolarHBondContact ND2-O 2.7Å; E245-T247 HydrophobicContact CG-CG2 4.15Å; E245-T247 PolarHBondContact O-N 2.84Å | ||
| 248 | F | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -122.7 | 154.5 | -179.8 | 53.7 | -90.6 | 0 | 0 | 0 | 111.1 | I246 T251 W272 Y298 D299 N300 V313 | I246-F248 HydrophobicContact CG1-CZ 4.45Å; I246-F248 HydrophobicContact CG2-CD1 4.22Å; I246-F248 HydrophobicContact CG2-CD2 4.3Å; I246-F248 HydrophobicContact CG2-CE1 4.13Å; I246-F248 HydrophobicContact CG2-CE2 4.2Å; I246-F248 HydrophobicContact CG2-CG 4.33Å; I246-F248 HydrophobicContact CG2-CZ 4.12Å; I246-F248 WeakPolarHBondContact CG2-O 3.37Å; F248-T251 HydrophobicContact CD2-CG2 3.99Å; F248-T251 HydrophobicContact CE2-CG2 3.78Å; F248-W272 AromaticContact CD2-CD1 3.97Å; F248-W272 AromaticContact CE2-CD1 3.74Å; F248-W272 PolarHBondContact O-NE1 2.89Å; F248-Y298 AromaticContact CE1-CD1 3.88Å; F248-Y298 HydrophobicContact CE1-CD1 3.88Å; F248-Y298 HydrophobicContact CE1-CD2 4.19Å; F248-Y298 AromaticContact CE1-CE1 3.85Å; F248-Y298 HydrophobicContact CE1-CE1 3.85Å; F248-Y298 HydrophobicContact CE1-CE2 4.13Å; F248-Y298 HydrophobicContact CE1-CG 4.07Å; F248-Y298 AromaticContact CE1-CZ 3.97Å; F248-Y298 HydrophobicContact CZ-CE1 4.05Å; F248-Y298 HydrophobicContact CZ-CE2 4.17Å; F248-Y298 AromaticContact CZ-CZ 3.84Å; F248-D299 WeakPolarHBondContact CB-OD1 3.42Å; F248-N300 HydrophobicContact CB-CB 4.31Å; F248-N300 HydrophobicContact CD2-CB 4.19Å; F248-N300 HydrophobicContact CG-CB 4.32Å; F248-V313 HydrophobicContact CE1-CG1 4.31Å; F248-V313 HydrophobicContact CE2-CG1 4.34Å; F248-V313 HydrophobicContact CE2-CG2 3.73Å; F248-V313 HydrophobicContact CZ-CG1 3.75Å; F248-V313 HydrophobicContact CZ-CG2 3.99Å |
| 249 | P | 97.7 | Very high | 95.9 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 10% | 0.104 | 28% | 0.277 | C | S | . | . | trans | -68.8 | 164.8 | -178.5 | 30 | -36 | 0 | 0 | 0 | 112 | N223 T251 W272 | N223-P249 WeakPolarHBondContact O-CA 3.32Å; P249-T251 PolarHBondContact O-N 3.03Å; P249-W272 PolarHBondContact O-NE1 3.34Å | ||
| 250 | P | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -44.1 | 137.4 | 171.2 | -29.1 | 35.3 | 0 | 0 | 0 | 112.1 | F219 Y254 Y264 P270 W272 | F219-P250 WeakPolarHBondContact O-CD 3.39Å; P250-Y254 WeakPolarHBondContact O-CE2 3.46Å; P250-Y254 PolarHBondContact O-OH 3.22Å; P250-Y264 WeakPolarHBondContact CB-OH 3.15Å; P250-Y264 WeakPolarHBondContact CD-OH 3.41Å; P250-Y264 PolarHBondContact O-OH 3.42Å; P250-P270 HydrophobicContact CB-CB 3.96Å; P250-P270 HydrophobicContact CG-CB 4.37Å; P250-W272 HydrophobicContact CB-CD2 4.46Å; P250-W272 HydrophobicContact CG-CD2 4.15Å; P250-W272 HydrophobicContact CG-CE3 4.38Å; P250-W272 HydrophobicContact CG-CH2 3.97Å; P250-W272 HydrophobicContact CG-CZ2 3.74Å; P250-W272 HydrophobicContact CG-CZ3 4.3Å | ||
| 251 | T | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -91.6 | -10.1 | -170 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | F248 P249 Y254 A271 C273 D274 H310 K311 V313 | F248-T251 HydrophobicContact CD2-CG2 3.99Å; F248-T251 HydrophobicContact CE2-CG2 3.78Å; P249-T251 PolarHBondContact O-N 3.03Å; T251-Y254 VanDerWaalsContact O-CD2 3.31Å; T251-Y254 WeakPolarHBondContact O-CD2 3.43Å; T251-A271 PolarHBondContact N-O 3.26Å; T251-A271 VanDerWaalsContact N-O 3.08Å; T251-C273 PolarHBondContact OG1-N 2.85Å; T251-D274 VanDerWaalsContact CB-OD2 3.26Å; T251-D274 WeakPolarHBondContact CB-OD2 3.23Å; T251-D274 HydrophobicContact CG2-CB 4.44Å; T251-D274 PolarHBondContact OG1-N 2.79Å; T251-D274 PolarHBondContact OG1-OD2 2.83Å; T251-H310 CarbonylContact O-C 3.44Å; T251-H310 VanDerWaalsContact O-CA 3.27Å; T251-H310 WeakPolarHBondContact O-CA 3.21Å; T251-K311 PolarHBondContact O-N 2.76Å; T251-V313 HydrophobicContact CG2-CG2 3.53Å | ||
| 252 | Y | 98.3 | Very high | 95.5 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -148 | 147.8 | -175.1 | 170.1 | -97.6 | 0 | 0 | 0 | 110.6 | R268 P270 A271 D309 H310 | Y252-R268 HydrophobicContact CE1-CB 3.77Å; Y252-R268 HydrophobicContact CE1-CG 3.74Å; Y252-R268 WeakPolarHBondContact OH-CG 3.38Å; Y252-P270 CarbonylContact O-C 3.47Å; Y252-P270 WeakPolarHBondContact O-CA 3.17Å; Y252-A271 PolarHBondContact N-O 2.79Å; Y252-A271 PolarHBondContact O-N 3.41Å; Y252-D309 WeakPolarHBondContact CD2-O 3.3Å; Y252-H310 AromaticContact CD2-CD2 3.4Å; Y252-H310 WeakPolarHBondContact CD2-CD2 3.3Å; Y252-H310 AromaticContact CD2-CE1 3.54Å; Y252-H310 AromaticContact CD2-CG 3.98Å; Y252-H310 AromaticContact CD2-NE2 3.09Å; Y252-H310 WeakPolarHBondContact CD2-NE2 3.48Å; Y252-H310 AromaticContact CE2-CD2 3.98Å; Y252-H310 AromaticContact CE2-NE2 3.5Å; Y252-H310 AromaticContact CG-CE1 3.76Å; Y252-H310 AromaticContact CG-NE2 3.78Å |
| 253 | P | 97.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | cis | -101.5 | 103.4 | -2.5 | 35.4 | -30.7 | 0 | 0 | 0 | 112.6 | Y264 N265 R268 D309 | P253-Y264 CarbonylContact O-C 3.55Å; P253-Y264 VanDerWaalsContact O-CA 3.25Å; P253-Y264 WeakPolarHBondContact O-CA 3.07Å; P253-N265 PolarHBondContact O-N 3.2Å; P253-R268 HydrophobicContact CG-CB 4.1Å; P253-D309 CarbonylContact C-O 3.48Å; P253-D309 WeakPolarHBondContact CA-O 3.25Å | ||
| 254 | Y | 97.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 2% | 0.02 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -67.9 | 158.4 | 174.8 | -75.8 | -93.9 | 0 | 0 | 0 | 112.3 | P250 T251 Q263 Y264 D309 K311 | P250-Y254 WeakPolarHBondContact O-CE2 3.46Å; P250-Y254 PolarHBondContact O-OH 3.22Å; T251-Y254 VanDerWaalsContact O-CD2 3.31Å; T251-Y254 WeakPolarHBondContact O-CD2 3.43Å; Y254-Q263 CarbonylContact C-O 3.35Å; Y254-Q263 WeakPolarHBondContact CA-O 3.34Å; Y254-Y264 HydrophobicContact CD1-CD1 4.29Å; Y254-Y264 HydrophobicContact CD1-CE1 4.26Å; Y254-Y264 HydrophobicContact CD2-CD1 4.19Å; Y254-Y264 AromaticContact CD2-CE1 3.87Å; Y254-Y264 HydrophobicContact CD2-CE1 3.87Å; Y254-Y264 HydrophobicContact CE1-CD1 4.33Å; Y254-Y264 AromaticContact CE1-CE1 3.9Å; Y254-Y264 HydrophobicContact CE1-CE1 3.9Å; Y254-Y264 HydrophobicContact CE2-CD1 4.23Å; Y254-Y264 AromaticContact CE2-CE1 3.47Å; Y254-Y264 HydrophobicContact CE2-CE1 3.47Å; Y254-Y264 VanDerWaalsContact CE2-CE1 3.47Å; Y254-Y264 HydrophobicContact CG-CD1 4.22Å; Y254-Y264 HydrophobicContact CG-CE1 4.25Å; Y254-Y264 AromaticContact CZ-CE1 3.46Å; Y254-Y264 VanDerWaalsContact CZ-CE1 3.46Å; Y254-Y264 AromaticContact CZ-CZ 3.93Å; Y254-Y264 PolarHBondContact OH-OH 2.99Å; Y254-D309 PolarHBondContact N-O 3.31Å; Y254-D309 WeakPolarHBondContact O-CA 3.14Å; Y254-K311 VanDerWaalsContact CD1-CE 3.42Å; Y254-K311 HydrophobicContact CD2-CD 4.22Å; Y254-K311 HydrophobicContact CD2-CG 3.45Å; Y254-K311 VanDerWaalsContact CD2-CG 3.45Å; Y254-K311 HydrophobicContact CE1-CG 4.45Å; Y254-K311 HydrophobicContact CE2-CB 4.3Å; Y254-K311 HydrophobicContact CE2-CD 4.27Å; Y254-K311 HydrophobicContact CE2-CG 3.27Å; Y254-K311 HydrophobicContact CG-CD 4.42Å; Y254-K311 VanDerWaalsContact CG-CE 3.42Å; Y254-K311 HydrophobicContact CG-CG 4.12Å |
| 255 | S | 95.1 | Very high | 95.5 | Very high | 23 Ų | 23 | 55.5 Ų | 55.5 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | trans | -68.4 | 136.2 | 167.5 | -176 | 0 | 0 | 0 | 0 | 110.3 | D257 Q263 | S255-D257 VanDerWaalsContact C-N 3.26Å; S255-D257 WeakPolarHBondContact OG-CB 3.44Å; S255-D257 PolarHBondContact OG-N 3.34Å; S255-Q263 PolarHBondContact N-O 3.05Å | ||
| 256 | E | 94.1 | Very high | 95.6 | Very high | 129 Ų | 129 | 51.3 Ų | 51.3 | 60% | 0.603 | 26% | 0.262 | S | S | * | . | trans | -85.6 | 0.8 | 172.8 | -62.8 | -179.6 | 89.2 | 0 | 0 | 112.5 | V258 C306 D309 | E256-V258 PolarHBondContact O-N 2.67Å; E256-C306 VanDerWaalsContact C-SG 3.53Å; E256-C306 PolarHBondContact O-SG 2.88Å; E256-C306 VanDerWaalsContact O-SG 3.35Å; E256-D309 HydrophobicContact CG-CB 4.11Å | ||
| 257 | D | 93.5 | Very high | 95.5 | Very high | 64 Ų | 64 | 52.6 Ų | 52.6 | 34% | 0.342 | 27% | 0.271 | S | S | . | . | trans | -77.4 | 120.5 | 172 | -178.6 | -6.5 | 0 | 0 | 0 | 110.2 | S255 H259 H260 A261 | S255-D257 VanDerWaalsContact C-N 3.26Å; S255-D257 WeakPolarHBondContact OG-CB 3.44Å; S255-D257 PolarHBondContact OG-N 3.34Å; D257-H259 PolarHBondContact O-N 3.26Å; D257-H259 VanDerWaalsContact O-N 3.1Å; D257-H259 IonicContact OD1-CD2 3.94Å; D257-H259 IonicContact OD1-CG 2.93Å; D257-H259 PolarHBondContact OD1-N 3.08Å; D257-H260 HydrophobicContact CB-CB 4.24Å; D257-H260 CarbonylContact O-C 3.54Å; D257-H260 WeakPolarHBondContact O-CA 3.38Å; D257-H260 PolarHBondContact O-N 3.19Å; D257-H260 IonicContact OD2-CE1 2.8Å; D257-H260 PolarHBondContact OD2-CE1 2.87Å; D257-H260 IonicContact OD2-CG 2.66Å; D257-H260 IonicContact OD2-ND1 3.36Å; D257-H260 PolarHBondContact OD2-ND1 3.37Å; D257-A261 PolarHBondContact O-N 3.23Å | ||
| 258 | V | 92.3 | Very high | 95.6 | Very high | 103 Ų | 103 | 50.3 Ų | 50.3 | 62% | 0.624 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -57.5 | -25 | 179.8 | -62.5 | 0 | 0 | 0 | 0 | 113.6 | E256 C306 | E256-V258 PolarHBondContact O-N 2.67Å; V258-C306 HydrophobicContact CG1-CB 4.22Å |
| 259 | H | 93.6 | Very high | 95.6 | Very high | 159 Ų | 159 | 50.9 Ų | 50.9 | 74% | 0.736 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -83.2 | -13.9 | 176.2 | -61.7 | -62.2 | 0 | 0 | 0 | 113.3 | D257 | D257-H259 PolarHBondContact O-N 3.26Å; D257-H259 VanDerWaalsContact O-N 3.1Å; D257-H259 IonicContact OD1-CD2 3.94Å; D257-H259 IonicContact OD1-CG 2.93Å; D257-H259 PolarHBondContact OD1-N 3.08Å |
| 260 | H | 92.1 | Very high | 95.7 | Very high | 79 Ų | 79 | 50.2 Ų | 50.2 | 37% | 0.366 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -124.4 | 31.6 | -176.7 | -59.8 | 118.1 | 0 | 0 | 0 | 112.2 | D257 K262 Q263 | D257-H260 HydrophobicContact CB-CB 4.24Å; D257-H260 CarbonylContact O-C 3.54Å; D257-H260 WeakPolarHBondContact O-CA 3.38Å; D257-H260 PolarHBondContact O-N 3.19Å; D257-H260 IonicContact OD2-CE1 2.8Å; D257-H260 PolarHBondContact OD2-CE1 2.87Å; D257-H260 IonicContact OD2-CG 2.66Å; D257-H260 IonicContact OD2-ND1 3.36Å; D257-H260 PolarHBondContact OD2-ND1 3.37Å; H260-K262 PolarHBondContact O-N 2.92Å; H260-Q263 HydrophobicContact CB-CB 4.33Å; H260-Q263 HydrophobicContact CB-CG 4.29Å; H260-Q263 PolarHBondContact CD2-NE2 3.26Å; H260-Q263 PolarHBondContact CD2-OE1 2.85Å; H260-Q263 PolarHBondContact O-N 3.03Å |
| 261 | A | 90.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 10% | 0.099 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -16.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | D257 C306 K311 | D257-A261 PolarHBondContact O-N 3.23Å; A261-C306 HydrophobicContact CB-CB 3.88Å; A261-K311 PolarHBondContact O-NZ 3.48Å |
| 262 | K | 93 | Very high | 95.7 | Very high | 111 Ų | 111 | 50.3 Ų | 50.3 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -11.5 | 178.3 | -58.7 | -173.1 | -172.6 | -157.5 | 0 | 113.3 | Q220 H260 N304 | Q220-K262 PolarHBondContact NE2-O 2.86Å; Q220-K262 PolarHBondContact OE1-O 2.77Å; H260-K262 PolarHBondContact O-N 2.92Å; K262-N304 WeakPolarHBondContact CE-OD1 3.34Å; K262-N304 PolarHBondContact NZ-OD1 3.18Å |
| 263 | Q | 95.1 | Very high | 95.7 | Very high | 107 Ų | 107 | 49 Ų | 49 | 50% | 0.5 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -87.4 | 146.2 | -174.7 | -63.9 | 179.4 | -1.8 | 0 | 0 | 110.1 | Y254 S255 H260 | Y254-Q263 CarbonylContact C-O 3.35Å; Y254-Q263 WeakPolarHBondContact CA-O 3.34Å; S255-Q263 PolarHBondContact N-O 3.05Å; H260-Q263 HydrophobicContact CB-CB 4.33Å; H260-Q263 HydrophobicContact CB-CG 4.29Å; H260-Q263 PolarHBondContact CD2-NE2 3.26Å; H260-Q263 PolarHBondContact CD2-OE1 2.85Å; H260-Q263 PolarHBondContact O-N 3.03Å |
| 264 | Y | 96.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 50 Ų | 50 | 9% | 0.086 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -80 | 145 | 166.1 | -64.2 | -60.3 | 0 | 0 | 0 | 110.6 | F219 Q220 P250 P253 Y254 P270 | F219-Y264 HydrophobicContact CB-CD2 4.17Å; F219-Y264 HydrophobicContact CB-CE2 3.55Å; Q220-Y264 HydrophobicContact CG-CD2 4.35Å; Q220-Y264 HydrophobicContact CG-CE2 3.45Å; Q220-Y264 VanDerWaalsContact CG-CE2 3.45Å; Q220-Y264 VanDerWaalsContact NE2-CE2 3.31Å; P250-Y264 WeakPolarHBondContact CB-OH 3.15Å; P250-Y264 WeakPolarHBondContact CD-OH 3.41Å; P250-Y264 PolarHBondContact O-OH 3.42Å; P253-Y264 CarbonylContact O-C 3.55Å; P253-Y264 VanDerWaalsContact O-CA 3.25Å; P253-Y264 WeakPolarHBondContact O-CA 3.07Å; Y254-Y264 HydrophobicContact CD1-CD1 4.29Å; Y254-Y264 HydrophobicContact CD1-CE1 4.26Å; Y254-Y264 HydrophobicContact CD2-CD1 4.19Å; Y254-Y264 AromaticContact CD2-CE1 3.87Å; Y254-Y264 HydrophobicContact CD2-CE1 3.87Å; Y254-Y264 HydrophobicContact CE1-CD1 4.33Å; Y254-Y264 AromaticContact CE1-CE1 3.9Å; Y254-Y264 HydrophobicContact CE1-CE1 3.9Å; Y254-Y264 HydrophobicContact CE2-CD1 4.23Å; Y254-Y264 AromaticContact CE2-CE1 3.47Å; Y254-Y264 HydrophobicContact CE2-CE1 3.47Å; Y254-Y264 VanDerWaalsContact CE2-CE1 3.47Å; Y254-Y264 HydrophobicContact CG-CD1 4.22Å; Y254-Y264 HydrophobicContact CG-CE1 4.25Å; Y254-Y264 AromaticContact CZ-CE1 3.46Å; Y254-Y264 VanDerWaalsContact CZ-CE1 3.46Å; Y254-Y264 AromaticContact CZ-CZ 3.93Å; Y254-Y264 PolarHBondContact OH-OH 2.99Å; Y264-P270 HydrophobicContact CD1-CB 4.22Å; Y264-P270 HydrophobicContact CD1-CG 4.16Å; Y264-P270 HydrophobicContact CD2-CB 4.01Å; Y264-P270 HydrophobicContact CD2-CG 3.53Å; Y264-P270 HydrophobicContact CE1-CB 4.09Å; Y264-P270 HydrophobicContact CE1-CG 4.47Å; Y264-P270 HydrophobicContact CE2-CB 3.86Å; Y264-P270 HydrophobicContact CE2-CG 3.88Å; Y264-P270 HydrophobicContact CG-CB 4.19Å; Y264-P270 HydrophobicContact CG-CG 3.68Å |
| 265 | N | 95.5 | Very high | 95.8 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 163.7 | 165.7 | -162.6 | -8.6 | 0 | 0 | 0 | 110.1 | P253 | P253-N265 PolarHBondContact O-N 3.2Š|
| 266 | T | 96.9 | Very high | 96 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -97.5 | 22.9 | -176.3 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | S210 F211 N212 | S210-T266 CarbonylContact C-O 3.57Å; S210-T266 WeakPolarHBondContact CA-O 3.42Å; F211-T266 CarbonylContact C-O 3.54Å; F211-T266 PolarHBondContact N-O 3.02Å; F211-T266 CarbonylContact O-C 3.49Å; F211-T266 VanDerWaalsContact O-CA 3.24Å; F211-T266 WeakPolarHBondContact O-CA 3.43Å; F211-T266 VanDerWaalsContact O-CB 3.23Å; F211-T266 WeakPolarHBondContact O-CB 3.31Å; N212-T266 WeakPolarHBondContact OD1-CB 3.3Å |
| 267 | T | 96.8 | Very high | 96.2 | Very high | 44 Ų | 44 | 44 Ų | 44 | 27% | 0.27 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -84.2 | -32.4 | -177.4 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | N116 K209 | N116-T267 PolarHBondContact ND2-O 3.22Å; K209-T267 CarbonylContact C-O 3.6Å; K209-T267 WeakPolarHBondContact O-CA 3.35Å |
| 268 | R | 97.6 | Very high | 96.4 | Very high | 21 Ų | 21 | 41 Ų | 41 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -146.4 | 156.5 | -175.2 | -63.5 | -63.9 | -175.5 | -93.4 | 13.5 | 110.7 | D113 N116 F211 Y252 P253 | D113-R268 PolarHBondContact O-NH2 3.44Å; N116-R268 WeakPolarHBondContact OD1-CD 3.33Å; N116-R268 PolarHBondContact OD1-NE 2.6Å; N116-R268 VanDerWaalsContact OD1-NE 3.12Å; F211-R268 WeakPolarHBondContact CD1-O 3.5Å; Y252-R268 HydrophobicContact CE1-CB 3.77Å; Y252-R268 HydrophobicContact CE1-CG 3.74Å; Y252-R268 WeakPolarHBondContact OH-CG 3.38Å; P253-R268 HydrophobicContact CG-CB 4.1Å |
| 269 | C | 98.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 10% | 0.095 | 18% | 0.18 | C | C | . | . | trans | -62.7 | 130.4 | 166.3 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | T164 F211 F219 | T164-C269 HydrophobicContact CG2-CB 4.12Å; F211-C269 HydrophobicContact CD1-CB 4.46Å; F211-C269 HydrophobicContact CD2-CB 3.91Å; F211-C269 HydrophobicContact CE1-CB 4.32Å; F211-C269 HydrophobicContact CE2-CB 3.75Å; F211-C269 HydrophobicContact CG-CB 4.27Å; F211-C269 HydrophobicContact CZ-CB 3.97Å; F219-C269 VanDerWaalsContact CE1-SG 3.6Å | ||
| 270 | P | 98.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | trans | -57.7 | 138.5 | 177.8 | -26.5 | 34.8 | 0 | 0 | 0 | 112.9 | L162 F219 P250 Y252 Y264 | L162-P270 WeakPolarHBondContact CD1-O 3.23Å; F219-P270 HydrophobicContact CB-CB 3.92Å; F219-P270 HydrophobicContact CB-CG 4.01Å; F219-P270 HydrophobicContact CD1-CB 3.73Å; F219-P270 HydrophobicContact CD1-CG 3.92Å; F219-P270 HydrophobicContact CD2-CB 4.44Å; F219-P270 HydrophobicContact CD2-CG 3.78Å; F219-P270 HydrophobicContact CE1-CB 4.36Å; F219-P270 HydrophobicContact CE1-CG 4.33Å; F219-P270 HydrophobicContact CE2-CG 4.21Å; F219-P270 HydrophobicContact CG-CB 3.78Å; F219-P270 HydrophobicContact CG-CG 3.63Å; F219-P270 HydrophobicContact CZ-CG 4.46Å; P250-P270 HydrophobicContact CB-CB 3.96Å; P250-P270 HydrophobicContact CG-CB 4.37Å; Y252-P270 CarbonylContact O-C 3.47Å; Y252-P270 WeakPolarHBondContact O-CA 3.17Å; Y264-P270 HydrophobicContact CD1-CB 4.22Å; Y264-P270 HydrophobicContact CD1-CG 4.16Å; Y264-P270 HydrophobicContact CD2-CB 4.01Å; Y264-P270 HydrophobicContact CD2-CG 3.53Å; Y264-P270 HydrophobicContact CE1-CB 4.09Å; Y264-P270 HydrophobicContact CE1-CG 4.47Å; Y264-P270 HydrophobicContact CE2-CB 3.86Å; Y264-P270 HydrophobicContact CE2-CG 3.88Å; Y264-P270 HydrophobicContact CG-CB 4.19Å; Y264-P270 HydrophobicContact CG-CG 3.68Å | ||
| 271 | A | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -152.5 | 162.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L162 T251 Y252 C273 | L162-A271 HydrophobicContact CG-CB 4.43Å; T251-A271 PolarHBondContact N-O 3.26Å; T251-A271 VanDerWaalsContact N-O 3.08Å; Y252-A271 PolarHBondContact N-O 2.79Å; Y252-A271 PolarHBondContact O-N 3.41Å; A271-C273 PolarHBondContact O-N 2.82Å |
| 272 | W | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | trans | -84.5 | 77.4 | 170.4 | -62.7 | -90 | 0 | 0 | 0 | 110.4 | L162 N223 G224 L227 L228 D231 I246 F248 P249 P250 R275 | L162-W272 HydrophobicContact CD2-CE3 3.98Å; L162-W272 HydrophobicContact CD2-CZ3 3.71Å; N223-W272 WeakPolarHBondContact O-CZ2 3.27Å; G224-W272 WeakPolarHBondContact O-CH2 3.32Å; L227-W272 HydrophobicContact CB-CH2 4.32Å; L227-W272 HydrophobicContact CB-CZ3 4.49Å; L228-W272 HydrophobicContact CD2-CD2 4.11Å; L228-W272 HydrophobicContact CD2-CE3 3.84Å; L228-W272 HydrophobicContact CD2-CH2 3.61Å; L228-W272 HydrophobicContact CD2-CZ2 3.85Å; L228-W272 HydrophobicContact CD2-CZ3 3.58Å; L228-W272 HydrophobicContact CG-CH2 3.84Å; L228-W272 HydrophobicContact CG-CZ2 4.24Å; L228-W272 HydrophobicContact CG-CZ3 4.15Å; D231-W272 HydrophobicContact CB-CE3 4.47Å; I246-W272 HydrophobicContact CD1-CG 4.42Å; I246-W272 HydrophobicContact CG2-CG 4.34Å; I246-W272 VanDerWaalsContact CG2-NE1 3.35Å; F248-W272 AromaticContact CD2-CD1 3.97Å; F248-W272 AromaticContact CE2-CD1 3.74Å; F248-W272 PolarHBondContact O-NE1 2.89Å; P249-W272 PolarHBondContact O-NE1 3.34Å; P250-W272 HydrophobicContact CB-CD2 4.46Å; P250-W272 HydrophobicContact CG-CD2 4.15Å; P250-W272 HydrophobicContact CG-CE3 4.38Å; P250-W272 HydrophobicContact CG-CH2 3.97Å; P250-W272 HydrophobicContact CG-CZ2 3.74Å; P250-W272 HydrophobicContact CG-CZ3 4.3Å; W272-R275 WeakPolarHBondContact O-CD 3.38Å; W272-R275 PolarHBondContact O-NH1 2.95Å | ||
| 273 | C | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -73 | -34.4 | 178.5 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | F158 N159 T251 A271 | F158-C273 PolarHBondContact N-O 2.85Å; N159-C273 PolarHBondContact N-O 3.45Å; T251-C273 PolarHBondContact OG1-N 2.85Å; A271-C273 PolarHBondContact O-N 2.82Å | ||
| 274 | D | 98.7 | Very high | 95.6 | Very high | 23 Ų | 23 | 24.4 Ų | 24.4 | 12% | 0.123 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.1 | -172.7 | -52.4 | -79.6 | 0 | 0 | 0 | 110 | G156 T251 H310 V313 | G156-D274 WeakPolarHBondContact O-CA 3.45Å; T251-D274 VanDerWaalsContact CB-OD2 3.26Å; T251-D274 WeakPolarHBondContact CB-OD2 3.23Å; T251-D274 HydrophobicContact CG2-CB 4.44Å; T251-D274 PolarHBondContact OG1-N 2.79Å; T251-D274 PolarHBondContact OG1-OD2 2.83Å; D274-H310 IonicContact OD1-ND1 2.7Å; D274-H310 PolarHBondContact OD1-ND1 2.86Å; D274-H310 IonicContact OD2-CE1 3.78Å; D274-H310 IonicContact OD2-CG 3.13Å; D274-H310 IonicContact OD2-ND1 3.87Å; D274-H310 PolarHBondContact OD2-ND1 3.45Å; D274-V313 HydrophobicContact CB-CB 4.4Å; D274-V313 HydrophobicContact CB-CG2 3.85Å |
| 275 | R | 98.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159 | -168 | -49 | -66.5 | -85.7 | -91.9 | 3 | 112.3 | F155 G156 F158 D231 E243 I246 W272 L277 Y298 | F155-R275 VanDerWaalsContact CA-O 3.24Å; F155-R275 WeakPolarHBondContact CA-O 3.41Å; G156-R275 PolarHBondContact N-O 3.39Å; G156-R275 PolarHBondContact O-N 3.13Å; G156-R275 VanDerWaalsContact O-N 3.09Å; F158-R275 HydrophobicContact CB-CG 4.32Å; F158-R275 HydrophobicContact CD2-CB 3.58Å; F158-R275 HydrophobicContact CD2-CG 4.05Å; F158-R275 HydrophobicContact CE2-CB 3.85Å; F158-R275 HydrophobicContact CG-CB 4.24Å; F158-R275 HydrophobicContact CG-CG 4.33Å; D231-R275 IonicContact OD1-NH1 3.96Å; D231-R275 IonicContact OD2-CZ 2.79Å; D231-R275 IonicContact OD2-NH1 3.84Å; D231-R275 PolarHBondContact OD2-NH1 3.09Å; D231-R275 IonicContact OD2-NH2 3.75Å; D231-R275 PolarHBondContact OD2-NH2 3.05Å; E243-R275 VanDerWaalsContact CD-NE 3.33Å; E243-R275 WeakPolarHBondContact OE1-CD 3.37Å; E243-R275 IonicContact OE1-CZ 3.41Å; E243-R275 IonicContact OE1-NE 3.76Å; E243-R275 PolarHBondContact OE1-NE 2.95Å; E243-R275 IonicContact OE1-NH2 2.86Å; E243-R275 IonicContact OE2-CZ 3.14Å; E243-R275 VanDerWaalsContact OE2-CZ 3.28Å; E243-R275 IonicContact OE2-NE 2.66Å; E243-R275 PolarHBondContact OE2-NE 3.17Å; E243-R275 VanDerWaalsContact OE2-NE 3.16Å; E243-R275 IonicContact OE2-NH2 3.75Å; E243-R275 PolarHBondContact OE2-NH2 3.34Å; I246-R275 VanDerWaalsContact CD1-CZ 3.47Å; W272-R275 WeakPolarHBondContact O-CD 3.38Å; W272-R275 PolarHBondContact O-NH1 2.95Å; R275-L277 HydrophobicContact CB-CD2 4.28Å; R275-Y298 WeakPolarHBondContact CA-OH 3.38Å |
| 276 | I | 98.7 | Very high | 94.1 | Very high | 23 Ų | 23 | 21 Ų | 21 | 12% | 0.118 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 105.9 | 169.3 | -57 | 173 | 0 | 0 | 0 | 108.1 | L154 F155 Y298 V313 L315 | L154-I276 CarbonylContact O-C 3.52Å; L154-I276 WeakPolarHBondContact O-CA 3.47Å; F155-I276 HydrophobicContact CB-CB 4.5Å; F155-I276 HydrophobicContact CB-CG1 3.93Å; F155-I276 HydrophobicContact CB-CG2 4.46Å; I276-Y298 HydrophobicContact CB-CE2 3.9Å; I276-Y298 HydrophobicContact CD1-CE2 4.09Å; I276-Y298 HydrophobicContact CG1-CE2 4.08Å; I276-Y298 PolarHBondContact N-OH 3.32Å; I276-V313 HydrophobicContact CD1-CG1 4.27Å; I276-V313 HydrophobicContact CG1-CG1 4.44Å; I276-L315 HydrophobicContact CB-CB 4.4Å; I276-L315 HydrophobicContact CD1-CB 3.53Å; I276-L315 VanDerWaalsContact CD1-N 3.29Å; I276-L315 HydrophobicContact CG2-CB 4.1Å; I276-L315 HydrophobicContact CG2-CD2 3.81Å |
| 277 | L | 98.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 151.4 | 178.9 | -46.8 | -178.8 | 0 | 0 | 0 | 110.7 | M135 F153 L154 F158 L234 V241 D242 E243 R275 | M135-L277 HydrophobicContact CE-CD1 3.82Å; F153-L277 CarbonylContact C-O 3.59Å; F153-L277 WeakPolarHBondContact CA-O 3.32Å; L154-L277 HydrophobicContact CB-CB 4.27Å; L154-L277 PolarHBondContact N-O 3.18Å; L154-L277 PolarHBondContact O-N 2.89Å; F158-L277 HydrophobicContact CD1-CD1 4.09Å; F158-L277 HydrophobicContact CE1-CD1 3.39Å; F158-L277 HydrophobicContact CE1-CG 4.04Å; F158-L277 HydrophobicContact CE2-CG 4.42Å; F158-L277 HydrophobicContact CZ-CD1 3.68Å; F158-L277 HydrophobicContact CZ-CG 3.79Å; L234-L277 HydrophobicContact CD1-CD1 3.79Å; L234-L277 HydrophobicContact CD1-CD2 3.95Å; L234-L277 HydrophobicContact CD1-CG 4.5Å; L234-L277 HydrophobicContact CD2-CD2 4.27Å; V241-L277 HydrophobicContact CB-CB 4.39Å; V241-L277 HydrophobicContact CG2-CD1 4.22Å; D242-L277 CarbonylContact O-C 3.37Å; D242-L277 WeakPolarHBondContact O-CA 3.43Å; E243-L277 HydrophobicContact CB-CD2 3.81Å; E243-L277 HydrophobicContact CG-CD2 3.76Å; R275-L277 HydrophobicContact CB-CD2 4.28Å |
| 278 | L | 96.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.2 | -172.3 | -56.8 | 168.2 | 0 | 0 | 0 | 109.1 | F153 V241 D242 M244 A282 K283 M286 L315 | F153-L278 HydrophobicContact CD1-CD2 3.07Å; F153-L278 HydrophobicContact CE1-CD2 3.24Å; F153-L278 HydrophobicContact CG-CD2 4.07Å; F153-L278 HydrophobicContact CZ-CD2 4.35Å; V241-L278 CarbonylContact C-O 3.57Å; V241-L278 WeakPolarHBondContact CA-O 3.4Å; V241-L278 WeakPolarHBondContact CB-O 3.47Å; D242-L278 PolarHBondContact N-O 3.24Å; D242-L278 PolarHBondContact O-N 3.16Å; M244-L278 HydrophobicContact CG-CD1 4.19Å; L278-A282 HydrophobicContact CB-CB 4.39Å; L278-K283 HydrophobicContact CB-CB 4.38Å; L278-K283 HydrophobicContact CD1-CB 4.33Å; L278-M286 HydrophobicContact CD1-CE 4.27Å; L278-M286 HydrophobicContact CD1-SD 3.57Å; L278-M286 VanDerWaalsContact CD1-SD 3.57Å; L278-M286 HydrophobicContact CD2-SD 3.85Å; L278-M286 HydrophobicContact CG-SD 4.37Å; L278-L315 HydrophobicContact CD2-CD2 4.05Å |
| 279 | S | 95.8 | Very high | 88.5 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 154.7 | 159.7 | 73.5 | 0 | 0 | 0 | 0 | 109.8 | F152 S281 A282 K283 | F152-S279 VanDerWaalsContact CE1-CB 3.46Å; F152-S279 PolarHBondContact N-OG 3.37Å; F152-S279 VanDerWaalsContact N-OG 3.11Å; F152-S279 PolarHBondContact O-N 3.29Å; S279-S281 PolarHBondContact O-N 3.13Å; S279-S281 PolarHBondContact OG-OG 3.3Å; S279-A282 WeakPolarHBondContact O-CA 3.48Å; S279-A282 WeakPolarHBondContact O-CB 3.38Å; S279-A282 PolarHBondContact O-N 3.05Å; S279-A282 WeakPolarHBondContact OG-CB 3.42Å; S279-A282 PolarHBondContact OG-N 3.38Å; S279-K283 PolarHBondContact O-N 3.25Å |
| 280 | I | 90.7 | Very high | 86.2 | Confident | 57 Ų | 57 | 35.4 Ų | 35.4 | 29% | 0.292 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -52.7 | -43.6 | 175.1 | -57 | -56 | 0 | 0 | 0 | 110.8 | D242 A282 K283 H284 L337 | D242-I280 HydrophobicContact CB-CD1 4.32Å; I280-A282 PolarHBondContact O-N 3.4Å; I280-K283 PolarHBondContact O-N 3.44Å; I280-H284 PolarHBondContact O-CD2 3.09Å; I280-H284 PolarHBondContact O-N 2.86Å; I280-H284 VanDerWaalsContact O-N 3.15Å; I280-L337 HydrophobicContact CG2-CD1 4.37Å |
| 281 | S | 89.3 | Confident | 83.9 | Confident | 34 Ų | 34 | 43 Ų | 43 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -33.4 | 175.5 | 54.7 | 0 | 0 | 0 | 0 | 114 | P151 S279 H284 L285 | P151-S281 WeakPolarHBondContact CA-OG 3.05Å; S279-S281 PolarHBondContact O-N 3.13Å; S279-S281 PolarHBondContact OG-OG 3.3Å; S281-H284 PolarHBondContact O-N 3.41Å; S281-L285 PolarHBondContact O-N 3.14Å |
| 282 | A | 91.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.2 | -37.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | P151 F152 F153 L278 S279 I280 H284 L285 M286 | P151-A282 HydrophobicContact CB-CB 4.03Å; F152-A282 VanDerWaalsContact O-CB 3.31Å; F152-A282 WeakPolarHBondContact O-CB 3.33Å; F153-A282 HydrophobicContact CD2-CB 4.32Å; F153-A282 HydrophobicContact CE1-CB 4.32Å; F153-A282 HydrophobicContact CE2-CB 3.92Å; F153-A282 HydrophobicContact CZ-CB 3.9Å; L278-A282 HydrophobicContact CB-CB 4.39Å; S279-A282 WeakPolarHBondContact O-CA 3.48Å; S279-A282 WeakPolarHBondContact O-CB 3.38Å; S279-A282 PolarHBondContact O-N 3.05Å; S279-A282 WeakPolarHBondContact OG-CB 3.42Å; S279-A282 PolarHBondContact OG-N 3.38Å; I280-A282 PolarHBondContact O-N 3.4Å; A282-H284 VanDerWaalsContact C-N 3.28Å; A282-H284 PolarHBondContact O-N 2.87Å; A282-L285 VanDerWaalsContact O-CB 3.29Å; A282-L285 WeakPolarHBondContact O-CB 3.5Å; A282-L285 PolarHBondContact O-N 3.05Å; A282-M286 PolarHBondContact O-N 3.26Å |
| 283 | K | 88.8 | Confident | 79.7 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 28% | 0.283 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 173.2 | -173.8 | 168.3 | 178.4 | 169.9 | 0 | 111.4 | D242 L278 S279 I280 L285 M286 A287 | D242-K283 HydrophobicContact CB-CD 3.97Å; D242-K283 IonicContact OD1-NZ 2.73Å; D242-K283 PolarHBondContact OD1-NZ 3.22Å; D242-K283 WeakPolarHBondContact OD2-CD 3.15Å; D242-K283 WeakPolarHBondContact OD2-CE 3.38Å; D242-K283 IonicContact OD2-NZ 3.98Å; D242-K283 PolarHBondContact OD2-NZ 2.86Å; L278-K283 HydrophobicContact CB-CB 4.38Å; L278-K283 HydrophobicContact CD1-CB 4.33Å; S279-K283 PolarHBondContact O-N 3.25Å; I280-K283 PolarHBondContact O-N 3.44Å; K283-L285 VanDerWaalsContact C-N 3.31Å; K283-L285 PolarHBondContact O-N 2.89Å; K283-M286 WeakPolarHBondContact O-CB 3.25Å; K283-M286 PolarHBondContact O-N 3.27Å; K283-M286 VanDerWaalsContact O-N 3.08Å; K283-A287 PolarHBondContact O-N 3.42Å |
| 284 | H | 84.3 | Confident | 77.8 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 29% | 0.292 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -29 | 173.2 | -69.5 | -65.2 | 0 | 0 | 0 | 114 | I280 S281 A282 M286 A287 M288 Y327 | I280-H284 PolarHBondContact O-CD2 3.09Å; I280-H284 PolarHBondContact O-N 2.86Å; I280-H284 VanDerWaalsContact O-N 3.15Å; S281-H284 PolarHBondContact O-N 3.41Å; A282-H284 VanDerWaalsContact C-N 3.28Å; A282-H284 PolarHBondContact O-N 2.87Å; H284-M286 PolarHBondContact O-N 3.22Å; H284-A287 PolarHBondContact O-N 3.05Å; H284-M288 VanDerWaalsContact O-CG 3.27Å; H284-M288 WeakPolarHBondContact O-CG 3.27Å; H284-Y327 HydrophobicContact CB-CE1 4.14Å; H284-Y327 HydrophobicContact CB-CE2 3.89Å; H284-Y327 VanDerWaalsContact CB-OH 3.26Å; H284-Y327 WeakPolarHBondContact CB-OH 3.4Å |
| 285 | L | 81.8 | Confident | 76.9 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -28.6 | 172 | -65.2 | 178.1 | 0 | 0 | 0 | 112.2 | P151 S281 A282 K283 L319 P320 Y327 | P151-L285 HydrophobicContact CB-CD1 3.61Å; P151-L285 HydrophobicContact CB-CG 4.38Å; P151-L285 HydrophobicContact CG-CD1 3.89Å; P151-L285 HydrophobicContact CG-CG 4.4Å; S281-L285 PolarHBondContact O-N 3.14Å; A282-L285 VanDerWaalsContact O-CB 3.29Å; A282-L285 WeakPolarHBondContact O-CB 3.5Å; A282-L285 PolarHBondContact O-N 3.05Å; K283-L285 VanDerWaalsContact C-N 3.31Å; K283-L285 PolarHBondContact O-N 2.89Å; L285-L319 HydrophobicContact CB-CD1 4.22Å; L285-P320 WeakPolarHBondContact O-CD 3.36Å; L285-Y327 HydrophobicContact CD2-CD2 4.17Å; L285-Y327 HydrophobicContact CD2-CG 3.85Å |
| 286 | M | 80.2 | Confident | 76.5 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.069 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -84.5 | -38.4 | 178.4 | -61.2 | 169.7 | 56 | 0 | 0 | 112.4 | F153 M244 L278 A282 K283 H284 M288 I296 L315 F317 | F153-M286 HydrophobicContact CE1-SD 4.05Å; M244-M286 HydrophobicContact CG-CE 4.28Å; M244-M286 HydrophobicContact SD-CE 3.84Å; L278-M286 HydrophobicContact CD1-CE 4.27Å; L278-M286 HydrophobicContact CD1-SD 3.57Å; L278-M286 VanDerWaalsContact CD1-SD 3.57Å; L278-M286 HydrophobicContact CD2-SD 3.85Å; L278-M286 HydrophobicContact CG-SD 4.37Å; A282-M286 PolarHBondContact O-N 3.26Å; K283-M286 WeakPolarHBondContact O-CB 3.25Å; K283-M286 PolarHBondContact O-N 3.27Å; K283-M286 VanDerWaalsContact O-N 3.08Å; H284-M286 PolarHBondContact O-N 3.22Å; M286-M288 PolarHBondContact O-N 3.08Å; M286-I296 HydrophobicContact CB-CD1 4.29Å; M286-I296 HydrophobicContact CE-CD1 3.99Å; M286-I296 HydrophobicContact CE-CG1 4.21Å; M286-I296 HydrophobicContact CE-CG2 3.75Å; M286-L315 HydrophobicContact CE-CD1 4.03Å; M286-L315 HydrophobicContact CE-CD2 3.91Å; M286-L315 HydrophobicContact CE-CG 4.27Å; M286-L315 HydrophobicContact SD-CD2 4.13Å; M286-F317 HydrophobicContact CB-CD2 4.45Å; M286-F317 HydrophobicContact CE-CB 4.03Å; M286-F317 HydrophobicContact CE-CD1 4.17Å; M286-F317 HydrophobicContact CE-CG 4.09Å; M286-F317 HydrophobicContact CG-CB 4.44Å; M286-F317 HydrophobicContact CG-CD1 4.4Å; M286-F317 HydrophobicContact CG-CD2 3.64Å; M286-F317 HydrophobicContact CG-CE2 3.88Å; M286-F317 HydrophobicContact CG-CG 3.92Å; M286-F317 HydrophobicContact CG-CZ 4.35Å; M286-F317 HydrophobicContact SD-CD1 4.33Å; M286-F317 HydrophobicContact SD-CG 4.36Å |
| 287 | A | 64.4 | Low | 76.2 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 51% | 0.512 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -82.3 | -0.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | K283 H284 Q289 | K283-A287 PolarHBondContact O-N 3.42Å; H284-A287 PolarHBondContact O-N 3.05Å; A287-Q289 PolarHBondContact O-N 2.91Å |
| 288 | M | 56.6 | Low | 76.1 | Confident | 96 Ų | 96 | 65.8 Ų | 65.8 | 47% | 0.473 | 34% | 0.343 | S | S | . | . | trans | -73.5 | 21.5 | -174.5 | -73.7 | -100.7 | 126.5 | 0 | 0 | 115.3 | H284 M286 P320 P326 Y327 | H284-M288 VanDerWaalsContact O-CG 3.27Å; H284-M288 WeakPolarHBondContact O-CG 3.27Å; M286-M288 PolarHBondContact O-N 3.08Å; M288-P320 HydrophobicContact CB-CG 4.21Å; M288-P326 HydrophobicContact CE-CG 4.44Å; M288-P326 HydrophobicContact SD-CG 4.02Å; M288-Y327 HydrophobicContact CE-CE2 4.3Å | ||
| 289 | Q | 52.7 | Low | 76.2 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | trans | -128.9 | 91.5 | 171.4 | -65 | -158 | -24.7 | 0 | 0 | 110.3 | A287 N291 D292 | A287-Q289 PolarHBondContact O-N 2.91Å; Q289-N291 PolarHBondContact O-N 3.1Å; Q289-D292 PolarHBondContact O-N 3.06Å | ||
| 290 | E | 48.8 | Very low | 76.2 | Confident | 197 Ų | 197 | 68.9 Ų | 68.9 | 92% | 0.921 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -4.4 | 177.8 | -68 | -178.3 | 161.8 | 0 | 0 | 114.8 | ||
| 291 | N | 50.4 | Low | 76.4 | Confident | 162 Ų | 162 | 70 Ų | 70 | 87% | 0.866 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 6.9 | -175.7 | -75.6 | -28.4 | 0 | 0 | 0 | 114.9 | Q289 | Q289-N291 PolarHBondContact O-N 3.1Š|
| 292 | D | 54.3 | Low | 76.6 | Confident | 52 Ų | 52 | 69.1 Ų | 69.1 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | trans | -148.4 | 44 | -172.7 | -139 | 4.3 | 0 | 0 | 0 | 113.9 | Q289 N294 S295 R318 | Q289-D292 PolarHBondContact O-N 3.06Å; D292-N294 PolarHBondContact O-N 2.91Å; D292-N294 VanDerWaalsContact O-N 3.08Å; D292-S295 VanDerWaalsContact O-CB 3.32Å; D292-S295 WeakPolarHBondContact O-CB 3.49Å; D292-S295 PolarHBondContact O-N 3.01Å; D292-S295 PolarHBondContact O-OG 2.97Å; D292-R318 IonicContact OD2-CZ 3.39Å; D292-R318 IonicContact OD2-NH1 3.56Å; D292-R318 PolarHBondContact OD2-NH1 2.56Å; D292-R318 IonicContact OD2-NH2 3.99Å | ||
| 293 | E | 54.8 | Low | 76.5 | Confident | 177 Ų | 177 | 72.2 Ų | 72.2 | 83% | 0.827 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -52.1 | -26.4 | 168.8 | -76.7 | -172.5 | 159.1 | 0 | 0 | 112 | S295 I296 | E293-S295 PolarHBondContact O-N 2.91Å; E293-I296 PolarHBondContact O-N 2.96Å |
| 294 | N | 59.4 | Low | 76.6 | Confident | 156 Ų | 156 | 74 Ų | 74 | 83% | 0.834 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -63.2 | -5.3 | 172.4 | -77.3 | -4.8 | 0 | 0 | 0 | 115 | D292 | D292-N294 PolarHBondContact O-N 2.91Å; D292-N294 VanDerWaalsContact O-N 3.08Å |
| 295 | S | 78.9 | Confident | 77.1 | Confident | 25 Ų | 25 | 74.5 Ų | 74.5 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -92.6 | -8.3 | -179.6 | 70 | 0 | 0 | 0 | 0 | 114.5 | D292 E293 | D292-S295 VanDerWaalsContact O-CB 3.32Å; D292-S295 WeakPolarHBondContact O-CB 3.49Å; D292-S295 PolarHBondContact O-N 3.01Å; D292-S295 PolarHBondContact O-OG 2.97Å; E293-S295 PolarHBondContact O-N 2.91Å |
| 296 | I | 89.5 | Confident | 77.6 | Confident | 48 Ų | 48 | 76 Ų | 76 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | trans | -97.2 | 128 | 176.8 | -58.5 | 167.4 | 0 | 0 | 0 | 109 | M244 M286 E293 L315 S316 F317 | M244-I296 HydrophobicContact CG-CG2 4.45Å; M244-I296 HydrophobicContact SD-CG2 3.97Å; M286-I296 HydrophobicContact CB-CD1 4.29Å; M286-I296 HydrophobicContact CE-CD1 3.99Å; M286-I296 HydrophobicContact CE-CG1 4.21Å; M286-I296 HydrophobicContact CE-CG2 3.75Å; E293-I296 PolarHBondContact O-N 2.96Å; I296-L315 HydrophobicContact CG2-CD1 3.87Å; I296-S316 CarbonylContact C-O 3.56Å; I296-S316 WeakPolarHBondContact CA-O 3.45Å; I296-F317 HydrophobicContact CG1-CB 4.09Å | ||
| 297 | V | 93.7 | Very high | 78.3 | Confident | 63 Ų | 63 | 79.6 Ų | 79.6 | 38% | 0.382 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.5 | 176.4 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | D299 F314 L315 S316 | V297-D299 HydrophobicContact CG1-CB 4.21Å; V297-F314 HydrophobicContact CB-CE2 4.25Å; V297-F314 HydrophobicContact CG1-CE2 3.89Å; V297-F314 HydrophobicContact CG1-CZ 3.83Å; V297-L315 CarbonylContact O-C 3.57Å; V297-L315 WeakPolarHBondContact O-CA 3.31Å; V297-S316 PolarHBondContact N-O 2.83Å; V297-S316 PolarHBondContact O-N 3.42Å |
| 298 | Y | 96.9 | Very high | 79.7 | Confident | 12 Ų | 12 | 77.6 Ų | 77.6 | 5% | 0.047 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 104.4 | 174.4 | -175.2 | -141.4 | 0 | 0 | 0 | 109 | E243 M244 I246 F248 R275 I276 V313 F314 L315 | E243-Y298 HydrophobicContact CG-CE1 3.87Å; E243-Y298 PolarHBondContact OE1-OH 3.12Å; M244-Y298 HydrophobicContact CB-CD1 3.66Å; M244-Y298 HydrophobicContact CB-CE1 4.44Å; M244-Y298 HydrophobicContact CB-CG 3.99Å; M244-Y298 WeakPolarHBondContact O-CD1 3.16Å; M244-Y298 WeakPolarHBondContact O-CE1 3.5Å; I246-Y298 HydrophobicContact CG1-CE1 3.88Å; F248-Y298 AromaticContact CE1-CD1 3.88Å; F248-Y298 HydrophobicContact CE1-CD1 3.88Å; F248-Y298 HydrophobicContact CE1-CD2 4.19Å; F248-Y298 AromaticContact CE1-CE1 3.85Å; F248-Y298 HydrophobicContact CE1-CE1 3.85Å; F248-Y298 HydrophobicContact CE1-CE2 4.13Å; F248-Y298 HydrophobicContact CE1-CG 4.07Å; F248-Y298 AromaticContact CE1-CZ 3.97Å; F248-Y298 HydrophobicContact CZ-CE1 4.05Å; F248-Y298 HydrophobicContact CZ-CE2 4.17Å; F248-Y298 AromaticContact CZ-CZ 3.84Å; R275-Y298 WeakPolarHBondContact CA-OH 3.38Å; I276-Y298 HydrophobicContact CB-CE2 3.9Å; I276-Y298 HydrophobicContact CD1-CE2 4.09Å; I276-Y298 HydrophobicContact CG1-CE2 4.08Å; I276-Y298 PolarHBondContact N-OH 3.32Å; Y298-V313 HydrophobicContact CD2-CG1 4.06Å; Y298-V313 HydrophobicContact CE2-CG1 3.33Å; Y298-F314 WeakPolarHBondContact CA-O 3.43Å; Y298-F314 WeakPolarHBondContact CD2-O 3.44Å; Y298-L315 HydrophobicContact CD2-CB 4.16Å; Y298-L315 HydrophobicContact CD2-CD1 4.23Å; Y298-L315 HydrophobicContact CG-CD1 4.3Å |
| 299 | D | 97.4 | Very high | 81.6 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 32% | 0.316 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 173.2 | -169.1 | -157.2 | -8.3 | 0 | 0 | 0 | 111.2 | F248 V297 F314 | F248-D299 WeakPolarHBondContact CB-OD1 3.42Å; V297-D299 HydrophobicContact CG1-CB 4.21Å; D299-F314 HydrophobicContact CB-CD1 4.49Å; D299-F314 HydrophobicContact CB-CE1 3.68Å; D299-F314 HydrophobicContact CB-CZ 3.89Å; D299-F314 PolarHBondContact N-O 3.18Å; D299-F314 VanDerWaalsContact N-O 3.1Å; D299-F314 WeakPolarHBondContact O-CD1 2.94Å; D299-F314 PolarHBondContact O-N 3.28Å |
| 300 | N | 96 | Very high | 83.8 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.053 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 159 | 173.1 | 75.3 | 10.2 | 0 | 0 | 0 | 112.6 | F248 K311 P312 V313 | F248-N300 HydrophobicContact CB-CB 4.31Å; F248-N300 HydrophobicContact CD2-CB 4.19Å; F248-N300 HydrophobicContact CG-CB 4.32Å; N300-K311 HydrophobicContact CB-CB 4.41Å; N300-P312 CarbonylContact C-O 3.45Å; N300-P312 WeakPolarHBondContact CA-O 3.32Å; N300-P312 WeakPolarHBondContact CB-O 3.25Å; N300-V313 HydrophobicContact CB-CG2 4.45Å |
| 301 | I | 95.5 | Very high | 86 | Confident | 81 Ų | 81 | 64.1 Ų | 64.1 | 42% | 0.415 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -102.2 | 135.5 | 178.7 | -57 | -179.7 | 0 | 0 | 0 | 109.1 | P312 F314 | I301-P312 HydrophobicContact CB-CB 4.19Å; I301-P312 HydrophobicContact CD1-CB 4.4Å; I301-P312 HydrophobicContact CG1-CB 4.49Å; I301-P312 PolarHBondContact N-O 2.86Å; I301-F314 HydrophobicContact CD1-CB 4.3Å; I301-F314 HydrophobicContact CD1-CD1 4.14Å; I301-F314 HydrophobicContact CD1-CG 4.5Å; I301-F314 HydrophobicContact CG1-CD1 3.54Å; I301-F314 HydrophobicContact CG1-CE1 4.16Å; I301-F314 HydrophobicContact CG1-CG 4.35Å |
| 302 | G | 93.3 | Very high | 88.3 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | trans | 67 | 51.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N304 V305 K311 | G302-N304 PolarHBondContact O-N 3.45Å; G302-V305 PolarHBondContact O-N 3.33Å; G302-K311 PolarHBondContact O-NZ 3.12Å | ||
| 303 | P | 89.8 | Confident | 90.4 | Very high | 66 Ų | 66 | 58 Ų | 58 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.4 | 179.2 | 22.6 | -34.2 | 0 | 0 | 0 | 112.2 | ||
| 304 | N | 90.1 | Very high | 92.4 | Very high | 101 Ų | 101 | 52.7 Ų | 52.7 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 8.4 | -178.9 | -55.2 | -50.9 | 0 | 0 | 0 | 114.3 | K262 G302 | K262-N304 WeakPolarHBondContact CE-OD1 3.34Å; K262-N304 PolarHBondContact NZ-OD1 3.18Å; G302-N304 PolarHBondContact O-N 3.45Å |
| 305 | V | 94 | Very high | 94.2 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -119.2 | 137.5 | -173.9 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | G302 M307 K311 | G302-V305 PolarHBondContact O-N 3.33Å; V305-M307 HydrophobicContact CB-CE 3.78Å; V305-M307 HydrophobicContact CB-CG 4.42Å; V305-M307 HydrophobicContact CB-SD 4.42Å; V305-M307 HydrophobicContact CG1-CE 3.61Å; V305-M307 HydrophobicContact CG1-CG 4.43Å; V305-M307 HydrophobicContact CG1-SD 3.93Å; V305-M307 HydrophobicContact CG2-CE 4.44Å; V305-M307 PolarHBondContact O-N 3.46Å; V305-M307 VanDerWaalsContact O-N 3.16Å; V305-K311 PolarHBondContact O-NZ 3.07Å |
| 306 | C | 93.9 | Very high | 95 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | trans | -70 | 110.3 | 174.5 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | E256 V258 A261 | E256-C306 VanDerWaalsContact C-SG 3.53Å; E256-C306 PolarHBondContact O-SG 2.88Å; E256-C306 VanDerWaalsContact O-SG 3.35Å; V258-C306 HydrophobicContact CG1-CB 4.22Å; A261-C306 HydrophobicContact CB-CB 3.88Å | ||
| 307 | M | 93.6 | Very high | 95 | Very high | 90 Ų | 90 | 49 Ų | 49 | 44% | 0.443 | 28% | 0.279 | S | S | . | . | trans | -114.3 | 9.2 | -176.3 | -64.8 | -60.8 | -167.6 | 0 | 0 | 112.6 | V305 | V305-M307 HydrophobicContact CB-CE 3.78Å; V305-M307 HydrophobicContact CB-CG 4.42Å; V305-M307 HydrophobicContact CB-SD 4.42Å; V305-M307 HydrophobicContact CG1-CE 3.61Å; V305-M307 HydrophobicContact CG1-CG 4.43Å; V305-M307 HydrophobicContact CG1-SD 3.93Å; V305-M307 HydrophobicContact CG2-CE 4.44Å; V305-M307 PolarHBondContact O-N 3.46Å; V305-M307 VanDerWaalsContact O-N 3.16Å | ||
| 308 | G | 94.6 | Very high | 94.6 | Very high | 20 Ų | 20 | 52.9 Ų | 52.9 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 108.7 | -173.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H310 | G308-H310 PolarHBondContact O-N 3.06Š|
| 309 | D | 96.3 | Very high | 93.9 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -75 | -11.1 | 175.3 | 63.2 | -20.7 | 0 | 0 | 0 | 113.1 | Y252 P253 Y254 E256 | Y252-D309 WeakPolarHBondContact CD2-O 3.3Å; P253-D309 CarbonylContact C-O 3.48Å; P253-D309 WeakPolarHBondContact CA-O 3.25Å; Y254-D309 PolarHBondContact N-O 3.31Å; Y254-D309 WeakPolarHBondContact O-CA 3.14Å; E256-D309 HydrophobicContact CG-CB 4.11Å |
| 310 | H | 97.8 | Very high | 92.6 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -111 | 145.4 | 168.7 | -73.3 | -108.7 | 0 | 0 | 0 | 111.9 | D157 T251 Y252 D274 G308 | D157-H310 IonicContact OD2-CE1 3.46Å; T251-H310 CarbonylContact O-C 3.44Å; T251-H310 VanDerWaalsContact O-CA 3.27Å; T251-H310 WeakPolarHBondContact O-CA 3.21Å; Y252-H310 AromaticContact CD2-CD2 3.4Å; Y252-H310 WeakPolarHBondContact CD2-CD2 3.3Å; Y252-H310 AromaticContact CD2-CE1 3.54Å; Y252-H310 AromaticContact CD2-CG 3.98Å; Y252-H310 AromaticContact CD2-NE2 3.09Å; Y252-H310 WeakPolarHBondContact CD2-NE2 3.48Å; Y252-H310 AromaticContact CE2-CD2 3.98Å; Y252-H310 AromaticContact CE2-NE2 3.5Å; Y252-H310 AromaticContact CG-CE1 3.76Å; Y252-H310 AromaticContact CG-NE2 3.78Å; D274-H310 IonicContact OD1-ND1 2.7Å; D274-H310 PolarHBondContact OD1-ND1 2.86Å; D274-H310 IonicContact OD2-CE1 3.78Å; D274-H310 IonicContact OD2-CG 3.13Å; D274-H310 IonicContact OD2-ND1 3.87Å; D274-H310 PolarHBondContact OD2-ND1 3.45Å; G308-H310 PolarHBondContact O-N 3.06Å |
| 311 | K | 96.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | trans | -96.4 | 126.4 | 166.9 | -62.8 | -71.1 | 175.3 | 159.4 | 0 | 109.6 | T251 Y254 A261 N300 G302 V305 | T251-K311 PolarHBondContact O-N 2.76Å; Y254-K311 VanDerWaalsContact CD1-CE 3.42Å; Y254-K311 HydrophobicContact CD2-CD 4.22Å; Y254-K311 HydrophobicContact CD2-CG 3.45Å; Y254-K311 VanDerWaalsContact CD2-CG 3.45Å; Y254-K311 HydrophobicContact CE1-CG 4.45Å; Y254-K311 HydrophobicContact CE2-CB 4.3Å; Y254-K311 HydrophobicContact CE2-CD 4.27Å; Y254-K311 HydrophobicContact CE2-CG 3.27Å; Y254-K311 HydrophobicContact CG-CD 4.42Å; Y254-K311 VanDerWaalsContact CG-CE 3.42Å; Y254-K311 HydrophobicContact CG-CG 4.12Å; A261-K311 PolarHBondContact O-NZ 3.48Å; N300-K311 HydrophobicContact CB-CB 4.41Å; G302-K311 PolarHBondContact O-NZ 3.12Å; V305-K311 PolarHBondContact O-NZ 3.07Å | ||
| 312 | P | 97.3 | Very high | 89.3 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 38% | 0.377 | 32% | 0.317 | S | S | . | . | trans | -60.5 | 141.9 | 177.2 | -20.5 | 30.9 | 0 | 0 | 0 | 111.5 | N300 I301 | N300-P312 CarbonylContact C-O 3.45Å; N300-P312 WeakPolarHBondContact CA-O 3.32Å; N300-P312 WeakPolarHBondContact CB-O 3.25Å; I301-P312 HydrophobicContact CB-CB 4.19Å; I301-P312 HydrophobicContact CD1-CB 4.4Å; I301-P312 HydrophobicContact CG1-CB 4.49Å; I301-P312 PolarHBondContact N-O 2.86Å | ||
| 313 | V | 98.4 | Very high | 86.8 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 17% | 0.17 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 142.7 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 109.6 | F248 T251 D274 I276 Y298 N300 | F248-V313 HydrophobicContact CE1-CG1 4.31Å; F248-V313 HydrophobicContact CE2-CG1 4.34Å; F248-V313 HydrophobicContact CE2-CG2 3.73Å; F248-V313 HydrophobicContact CZ-CG1 3.75Å; F248-V313 HydrophobicContact CZ-CG2 3.99Å; T251-V313 HydrophobicContact CG2-CG2 3.53Å; D274-V313 HydrophobicContact CB-CB 4.4Å; D274-V313 HydrophobicContact CB-CG2 3.85Å; I276-V313 HydrophobicContact CD1-CG1 4.27Å; I276-V313 HydrophobicContact CG1-CG1 4.44Å; Y298-V313 HydrophobicContact CD2-CG1 4.06Å; Y298-V313 HydrophobicContact CE2-CG1 3.33Å; N300-V313 HydrophobicContact CB-CG2 4.45Å |
| 314 | F | 98 | Very high | 84.7 | Confident | 66 Ų | 66 | 64.3 Ų | 64.3 | 29% | 0.289 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.9 | 176.7 | 77.6 | -82.6 | 0 | 0 | 0 | 112.1 | V297 Y298 D299 I301 | V297-F314 HydrophobicContact CB-CE2 4.25Å; V297-F314 HydrophobicContact CG1-CE2 3.89Å; V297-F314 HydrophobicContact CG1-CZ 3.83Å; Y298-F314 WeakPolarHBondContact CA-O 3.43Å; Y298-F314 WeakPolarHBondContact CD2-O 3.44Å; D299-F314 HydrophobicContact CB-CD1 4.49Å; D299-F314 HydrophobicContact CB-CE1 3.68Å; D299-F314 HydrophobicContact CB-CZ 3.89Å; D299-F314 PolarHBondContact N-O 3.18Å; D299-F314 VanDerWaalsContact N-O 3.1Å; D299-F314 WeakPolarHBondContact O-CD1 2.94Å; D299-F314 PolarHBondContact O-N 3.28Å; I301-F314 HydrophobicContact CD1-CB 4.3Å; I301-F314 HydrophobicContact CD1-CD1 4.14Å; I301-F314 HydrophobicContact CD1-CG 4.5Å; I301-F314 HydrophobicContact CG1-CD1 3.54Å; I301-F314 HydrophobicContact CG1-CE1 4.16Å; I301-F314 HydrophobicContact CG1-CG 4.35Å |
| 315 | L | 96.9 | Very high | 83 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 117.6 | 169 | 178.1 | 65.7 | 0 | 0 | 0 | 107.8 | M244 I276 L278 M286 I296 V297 Y298 F317 | M244-L315 HydrophobicContact CG-CD1 3.97Å; I276-L315 HydrophobicContact CB-CB 4.4Å; I276-L315 HydrophobicContact CD1-CB 3.53Å; I276-L315 VanDerWaalsContact CD1-N 3.29Å; I276-L315 HydrophobicContact CG2-CB 4.1Å; I276-L315 HydrophobicContact CG2-CD2 3.81Å; L278-L315 HydrophobicContact CD2-CD2 4.05Å; M286-L315 HydrophobicContact CE-CD1 4.03Å; M286-L315 HydrophobicContact CE-CD2 3.91Å; M286-L315 HydrophobicContact CE-CG 4.27Å; M286-L315 HydrophobicContact SD-CD2 4.13Å; I296-L315 HydrophobicContact CG2-CD1 3.87Å; V297-L315 CarbonylContact O-C 3.57Å; V297-L315 WeakPolarHBondContact O-CA 3.31Å; Y298-L315 HydrophobicContact CD2-CB 4.16Å; Y298-L315 HydrophobicContact CD2-CD1 4.23Å; Y298-L315 HydrophobicContact CG-CD1 4.3Å; L315-F317 HydrophobicContact CD2-CD1 4.24Å; L315-F317 HydrophobicContact CD2-CE1 4.36Å; L315-F317 HydrophobicContact CG-CD1 4.01Å; L315-F317 HydrophobicContact CG-CE1 4.48Å |
| 316 | S | 94.3 | Very high | 80.9 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 43% | 0.434 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 131.1 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | I296 V297 | I296-S316 CarbonylContact C-O 3.56Å; I296-S316 WeakPolarHBondContact CA-O 3.45Å; V297-S316 PolarHBondContact N-O 2.83Å; V297-S316 PolarHBondContact O-N 3.42Å |
| 317 | F | 90.8 | Very high | 78.9 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 27% | 0.268 | 35% | 0.346 | S | S | . | . | trans | -155.5 | 167.1 | 177.8 | 63.2 | -85.3 | 0 | 0 | 0 | 110.6 | F153 M286 I296 L315 L319 | F153-F317 AromaticContact CE1-CE1 3.85Å; F153-F317 HydrophobicContact CE1-CE1 3.85Å; F153-F317 AromaticContact CE1-CZ 3.61Å; F153-F317 HydrophobicContact CE1-CZ 3.61Å; F153-F317 HydrophobicContact CZ-CE1 4.39Å; F153-F317 HydrophobicContact CZ-CE2 4.35Å; F153-F317 AromaticContact CZ-CZ 3.68Å; F153-F317 HydrophobicContact CZ-CZ 3.68Å; M286-F317 HydrophobicContact CB-CD2 4.45Å; M286-F317 HydrophobicContact CE-CB 4.03Å; M286-F317 HydrophobicContact CE-CD1 4.17Å; M286-F317 HydrophobicContact CE-CG 4.09Å; M286-F317 HydrophobicContact CG-CB 4.44Å; M286-F317 HydrophobicContact CG-CD1 4.4Å; M286-F317 HydrophobicContact CG-CD2 3.64Å; M286-F317 HydrophobicContact CG-CE2 3.88Å; M286-F317 HydrophobicContact CG-CG 3.92Å; M286-F317 HydrophobicContact CG-CZ 4.35Å; M286-F317 HydrophobicContact SD-CD1 4.33Å; M286-F317 HydrophobicContact SD-CG 4.36Å; I296-F317 HydrophobicContact CG1-CB 4.09Å; L315-F317 HydrophobicContact CD2-CD1 4.24Å; L315-F317 HydrophobicContact CD2-CE1 4.36Å; L315-F317 HydrophobicContact CG-CD1 4.01Å; L315-F317 HydrophobicContact CG-CE1 4.48Å; F317-L319 HydrophobicContact CE2-CB 4.35Å; F317-L319 HydrophobicContact CE2-CD1 4.21Å | ||
| 318 | R | 85.4 | Confident | 76.6 | Confident | 145 Ų | 145 | 58 Ų | 58 | 55% | 0.547 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 127.3 | 172.4 | -65.9 | -177.1 | -178.1 | 157.6 | 8.1 | 110.1 | D292 | D292-R318 IonicContact OD2-CZ 3.39Å; D292-R318 IonicContact OD2-NH1 3.56Å; D292-R318 PolarHBondContact OD2-NH1 2.56Å; D292-R318 IonicContact OD2-NH2 3.99Å |
| 319 | L | 81.6 | Confident | 74.3 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 25% | 0.246 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 122.4 | 170.9 | -170.5 | 70.1 | 0 | 0 | 0 | 109.6 | L98 C101 F103 L285 F317 | L98-L319 HydrophobicContact CB-CD2 3.83Å; L98-L319 HydrophobicContact CD1-CD2 4.48Å; C101-L319 HydrophobicContact CB-CD1 4.49Å; C101-L319 HydrophobicContact CB-CD2 4.16Å; F103-L319 HydrophobicContact CE1-CD2 4.12Å; L285-L319 HydrophobicContact CB-CD1 4.22Å; F317-L319 HydrophobicContact CE2-CB 4.35Å; F317-L319 HydrophobicContact CE2-CD1 4.21Å |
| 320 | P | 70.8 | Confident | 71.7 | Confident | 28 Ų | 28 | 64 Ų | 64 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -60 | 138.7 | 179.3 | -22.4 | 31.9 | 0 | 0 | 0 | 112.2 | L285 M288 | L285-P320 WeakPolarHBondContact O-CD 3.36Å; M288-P320 HydrophobicContact CB-CG 4.21Å |
| 321 | A | 65.6 | Low | 69.1 | Low | 86 Ų | 86 | 71 Ų | 71 | 71% | 0.711 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -100.2 | 137.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 322 | G | 55.2 | Low | 66.5 | Low | 33 Ų | 33 | 75.4 Ų | 75.4 | 34% | 0.34 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 119.5 | 168.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | G324 N325 | G322-G324 PolarHBondContact O-N 2.9Å; G322-N325 PolarHBondContact O-N 2.55Å |
| 323 | K | 42.3 | Very low | 63.7 | Low | 218 Ų | 218 | 76 Ų | 76 | 95% | 0.948 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 103.6 | 171.5 | -76.1 | -178.3 | 176.8 | 178.6 | 0 | 108.5 | ||
| 324 | G | 45.3 | Very low | 61 | Low | 70 Ų | 70 | 81.5 Ų | 81.5 | 72% | 0.722 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 144.9 | -16.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G322 P326 | G322-G324 PolarHBondContact O-N 2.9Å; G324-P326 VanDerWaalsContact O-CD 3.26Å; G324-P326 WeakPolarHBondContact O-CD 3.39Å |
| 325 | N | 53.3 | Low | 58.3 | Low | 13 Ų | 13 | 85.4 Ų | 85.4 | 7% | 0.07 | 46% | 0.462 | C | S | . | . | trans | -63.2 | 116.7 | 163.9 | -177.4 | -16.5 | 0 | 0 | 0 | 108.1 | C101 G322 Y327 S328 | C101-N325 PolarHBondContact SG-ND2 3.5Å; G322-N325 PolarHBondContact O-N 2.55Å; N325-Y327 PolarHBondContact O-N 3.4Å; N325-Y327 WeakPolarHBondContact OD1-CA 3.39Å; N325-Y327 VanDerWaalsContact OD1-CB 3.25Å; N325-Y327 WeakPolarHBondContact OD1-CB 3.24Å; N325-Y327 VanDerWaalsContact OD1-CD2 3.28Å; N325-Y327 WeakPolarHBondContact OD1-CD2 3.45Å; N325-Y327 PolarHBondContact OD1-N 3.44Å; N325-S328 VanDerWaalsContact O-CB 3.28Å; N325-S328 WeakPolarHBondContact O-CB 3.32Å; N325-S328 PolarHBondContact O-N 3.18Å; N325-S328 PolarHBondContact O-OG 2.8Å | ||
| 326 | P | 50.5 | Low | 55.5 | Low | 85 Ų | 85 | 91 Ų | 91 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.5 | 178.3 | 21.2 | -29.1 | 0 | 0 | 0 | 112.5 | M288 G324 | M288-P326 HydrophobicContact CE-CG 4.44Å; M288-P326 HydrophobicContact SD-CG 4.02Å; G324-P326 VanDerWaalsContact O-CD 3.26Å; G324-P326 WeakPolarHBondContact O-CD 3.39Å |
| 327 | Y | 52.1 | Low | 53.1 | Low | 27 Ų | 27 | 93.3 Ų | 93.3 | 11% | 0.106 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -3 | 175.7 | -53.6 | -92.1 | 0 | 0 | 0 | 114.2 | H284 L285 M288 N325 K329 C330 L332 | H284-Y327 HydrophobicContact CB-CE1 4.14Å; H284-Y327 HydrophobicContact CB-CE2 3.89Å; H284-Y327 VanDerWaalsContact CB-OH 3.26Å; H284-Y327 WeakPolarHBondContact CB-OH 3.4Å; L285-Y327 HydrophobicContact CD2-CD2 4.17Å; L285-Y327 HydrophobicContact CD2-CG 3.85Å; M288-Y327 HydrophobicContact CE-CE2 4.3Å; N325-Y327 PolarHBondContact O-N 3.4Å; N325-Y327 WeakPolarHBondContact OD1-CA 3.39Å; N325-Y327 VanDerWaalsContact OD1-CB 3.25Å; N325-Y327 WeakPolarHBondContact OD1-CB 3.24Å; N325-Y327 VanDerWaalsContact OD1-CD2 3.28Å; N325-Y327 WeakPolarHBondContact OD1-CD2 3.45Å; N325-Y327 PolarHBondContact OD1-N 3.44Å; Y327-K329 PolarHBondContact O-N 2.91Å; Y327-C330 HydrophobicContact CD1-CB 4.09Å; Y327-C330 WeakPolarHBondContact CD1-SG 3.17Å; Y327-C330 WeakPolarHBondContact O-CB 3.12Å; Y327-C330 PolarHBondContact O-N 3.47Å; Y327-C330 VanDerWaalsContact O-N 3.13Å; Y327-L332 HydrophobicContact CD1-CD1 4.14Å; Y327-L332 HydrophobicContact CE1-CD1 3.31Å; Y327-L332 HydrophobicContact CE1-CG 4.44Å |
| 328 | S | 46 | Very low | 50.6 | Low | 42 Ų | 42 | 94.2 Ų | 94.2 | 29% | 0.294 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -6.7 | 172.6 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | S100 N325 | S100-S328 WeakPolarHBondContact O-CA 3.42Å; N325-S328 VanDerWaalsContact O-CB 3.28Å; N325-S328 WeakPolarHBondContact O-CB 3.32Å; N325-S328 PolarHBondContact O-N 3.18Å; N325-S328 PolarHBondContact O-OG 2.8Å |
| 329 | K | 46.5 | Very low | 48.5 | Very low | 178 Ų | 178 | 95.6 Ų | 95.6 | 77% | 0.774 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.8 | 32.3 | 169.8 | -67.8 | -172.6 | 174.8 | -176.9 | 0 | 112.2 | Y327 F331 | Y327-K329 PolarHBondContact O-N 2.91Å; K329-F331 PolarHBondContact O-N 3.48Å |
| 330 | C | 41.2 | Very low | 46.4 | Very low | 27 Ų | 27 | 100.7 Ų | 100.7 | 18% | 0.182 | 54% | 0.539 | C | S | . | . | trans | -53.2 | 87.5 | -161.2 | -166.3 | 0 | 0 | 0 | 0 | 115.9 | Y327 | Y327-C330 HydrophobicContact CD1-CB 4.09Å; Y327-C330 WeakPolarHBondContact CD1-SG 3.17Å; Y327-C330 WeakPolarHBondContact O-CB 3.12Å; Y327-C330 PolarHBondContact O-N 3.47Å; Y327-C330 VanDerWaalsContact O-N 3.13Å | ||
| 331 | F | 42.2 | Very low | 45 | Very low | 188 Ų | 188 | 108.7 Ų | 108.7 | 83% | 0.825 | 57% | 0.571 | S | S | * | * | trans | -89.2 | 97.4 | 142.7 | -74.8 | -86.7 | 0 | 0 | 0 | 106.6 | K329 | K329-F331 PolarHBondContact O-N 3.48Š| ||
| 332 | L | 42.3 | Very low | 43.9 | Very low | 93 Ų | 93 | 110.2 Ų | 110.2 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | trans | -115.9 | 98.4 | 153.1 | -69.9 | 177.8 | 0 | 0 | 0 | 105.2 | Y327 E334 | Y327-L332 HydrophobicContact CD1-CD1 4.14Å; Y327-L332 HydrophobicContact CE1-CD1 3.31Å; Y327-L332 HydrophobicContact CE1-CG 4.44Å; L332-E334 PolarHBondContact O-N 3.07Å | ||
| 333 | S | 39.3 | Very low | 42.8 | Very low | 72 Ų | 72 | 113.1 Ų | 113.1 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | trans | -59.1 | 135.8 | 160 | 50.6 | 0 | 0 | 0 | 0 | 107.3 | E335 F336 | S333-E335 PolarHBondContact O-N 2.75Å; S333-F336 PolarHBondContact O-N 3.35Å | ||
| 334 | E | 42.5 | Very low | 42.3 | Very low | 142 Ų | 142 | 109.1 Ų | 109.1 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -7.8 | -179.6 | -73.8 | 165.4 | 179.6 | 0 | 0 | 113.3 | K149 L332 F336 | K149-E334 IonicContact NZ-OE1 2.56Å; K149-E334 PolarHBondContact NZ-OE1 3.11Å; L332-E334 PolarHBondContact O-N 3.07Å; E334-F336 PolarHBondContact O-N 2.63Å |
| 335 | E | 41 | Very low | 41.9 | Very low | 149 Ų | 149 | 112.6 Ų | 112.6 | 70% | 0.696 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -29.8 | 174 | -74 | -178.4 | 145.6 | 0 | 0 | 114.3 | S333 L337 S338 | S333-E335 PolarHBondContact O-N 2.75Å; E335-L337 PolarHBondContact O-N 2.63Å; E335-S338 PolarHBondContact O-N 3.08Å; E335-S338 PolarHBondContact O-OG 3.35Å |
| 336 | F | 37.7 | Very low | 40.9 | Very low | 145 Ų | 145 | 119.7 Ų | 119.7 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -74 | -25.9 | -175 | -122.3 | -89.8 | 0 | 0 | 0 | 113.6 | S333 E334 S338 | S333-F336 PolarHBondContact O-N 3.35Å; E334-F336 PolarHBondContact O-N 2.63Å; F336-S338 VanDerWaalsContact C-N 3.27Å; F336-S338 PolarHBondContact O-N 2.84Å |
| 337 | L | 43.8 | Very low | 39.9 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 58% | 0.576 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -78 | -10.4 | 179.3 | -72.2 | 165 | 0 | 0 | 0 | 113.4 | I280 E335 | I280-L337 HydrophobicContact CG2-CD1 4.37Å; E335-L337 PolarHBondContact O-N 2.63Å |
| 338 | S | 38.9 | Very low | 38.9 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 57% | 0.566 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -84.2 | -16.4 | 177 | 71.9 | 0 | 0 | 0 | 0 | 114 | E335 F336 | E335-S338 PolarHBondContact O-N 3.08Å; E335-S338 PolarHBondContact O-OG 3.35Å; F336-S338 VanDerWaalsContact C-N 3.27Å; F336-S338 PolarHBondContact O-N 2.84Å |
| 339 | R | 40.2 | Very low | 38.2 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -86.9 | -18.3 | -171.8 | -75.4 | -175.5 | 173.6 | -174.5 | -0.8 | 114.8 | K341 | R339-K341 VanDerWaalsContact C-N 3.26Å; R339-K341 PolarHBondContact O-N 3.31Å |
| 340 | D | 38.8 | Very low | 37.7 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -82 | 4.5 | -179.3 | -92.2 | -14.1 | 0 | 0 | 0 | 114.7 | ||
| 341 | K | 41.3 | Very low | 37.5 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -96.8 | -0.7 | 172.2 | -69.1 | -169.7 | 179.2 | 178.9 | 0 | 114.3 | R339 | R339-K341 VanDerWaalsContact C-N 3.26Å; R339-K341 PolarHBondContact O-N 3.31Å |
| 342 | T | 41.4 | Very low | 37.3 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -144.2 | 74.7 | -176.1 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 343 | S | 32.1 | Very low | 37 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | -178.3 | 125 | 154.8 | 51.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 344 | T | 32.1 | Very low | 36.9 | Very low | 133 Ų | 133 | 147.5 Ų | 147.5 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | cis | -165.7 | 117.5 | 24 | 13.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 345 | V | 37.3 | Very low | 36.5 | Very low | 144 Ų | 144 | 147.9 Ų | 147.9 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | trans | -85.4 | 114.7 | 146.2 | 173.7 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 346 | E | 31.8 | Very low | 36.2 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 179.4 | 123.5 | 142.5 | -100.9 | -179 | -178.6 | 0 | 0 | 112.4 | ||||
| 347 | N | 30.4 | Very low | 36.1 | Very low | 125 Ų | 125 | 148 Ų | 148 | 67% | 0.668 | 80% | 0.797 | S | S | * | * | trans | 63.2 | 108.2 | 138.8 | -61.3 | -33.3 | 0 | 0 | 0 | 120.4 | ||||
| 348 | L | 29.6 | Very low | 35.6 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | trans | -137.2 | 103 | 130.9 | -99.5 | 149.3 | 0 | 0 | 0 | 109.2 | ||||
| 349 | K | 31.7 | Very low | 35.3 | Very low | 196 Ų | 196 | 156.8 Ų | 156.8 | 85% | 0.852 | 83% | 0.834 | S | S | * | * | trans | -80.7 | 117.4 | 157.7 | -82.4 | 178.2 | 173.3 | 175.8 | 0 | 107.9 | ||||
| 350 | C | 36.7 | Very low | 34.8 | Very low | 205 Ų | 205 | 155.2 Ų | 155.2 | 100% | 1.385 | 85% | 0.85 | S | S | * | * | 173.5 | 0 | 124.4 | -116.3 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 350 of 350 residues in 648 ms
(Link to these results)