A0A3Q0KFC3_SCHMA Loading...

Diras family, GTP-binding ras-like

AlphaFold DB , UniProt , Accession A0A3Q0KFC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 283 aa.

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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
1M38.3Very low72.4Confident226 Ų22686.4 Ų86.4100%1.11344%0.444SS*.  01160-74.2-71.7164.800106.9E3M1-E3 PolarHBondContact O-N 3.33Å; M1-E3 VanDerWaalsContact O-N 3.15Å
2P42.7Very low74.5Confident128 Ų12879.3 Ų79.383%0.83141%0.407SS*.PPolyproline II helixtrans-58.2121.2168.124.6-29.3000107.2Q4P2-Q4 PolarHBondContact O-N 3.19Å; P2-Q4 VanDerWaalsContact O-N 3.17Å
3E50.2Low76.2Confident172 Ų17273.5 Ų73.580%0.80438%0.377SS*.PPolyproline II helixtrans-56.5120.3178.5-165.9174.2-172.400107.5M1M1-E3 PolarHBondContact O-N 3.33Å; M1-E3 VanDerWaalsContact O-N 3.15Å
4Q52.8Low77.7Confident169 Ų16968.9 Ų68.979%0.7936%0.357SS*.PPolyproline II helixtrans-51.5135.8-178.3-79.1-175.3-10.200108.7P2 T6P2-Q4 PolarHBondContact O-N 3.19Å; P2-Q4 VanDerWaalsContact O-N 3.17Å; Q4-T6 PolarHBondContact O-N 3.48Å
5P59.2Low78.9Confident53 Ų5364.9 Ų64.934%0.34434%0.338SS..  trans-51.6105.7179.53.7-13.5000110.1D7 C55P5-D7 PolarHBondContact O-N 3.13Å; P5-C55 WeakPolarHBondContact CB-SG 3.46Å
6T75.9Confident79.9Confident62 Ų6262.6 Ų62.638%0.3834%0.335SS..  trans-65.3131.2-168.948.50000110.5Q4 Y8 R173Q4-T6 PolarHBondContact O-N 3.48Å; T6-Y8 PolarHBondContact O-N 2.84Å; T6-R173 PolarHBondContact O-NH1 3.04Å; T6-R173 PolarHBondContact OG1-NH1 3.01Å; T6-R173 VanDerWaalsContact OG1-NH1 3.15Å; T6-R173 PolarHBondContact OG1-NH2 3.22Å
7D89.4Confident80.8Confident49 Ų4960.5 Ų60.526%0.26233%0.331SS..  trans-44.6135.2175.3-73.3-5.8000111.2P5 R45 T56 Q58 H80P5-D7 PolarHBondContact O-N 3.13Å; D7-R45 IonicContact OD2-NH1 2.79Å; D7-R45 PolarHBondContact OD2-NH1 3.39Å; D7-R45 VanDerWaalsContact OD2-NH1 3.11Å; D7-T56 WeakPolarHBondContact CA-O 3.37Å; D7-T56 VanDerWaalsContact OD1-CB 3.22Å; D7-T56 WeakPolarHBondContact OD1-CB 3.5Å; D7-T56 PolarHBondContact OD1-OG1 2.79Å; D7-Q58 HydrophobicContact CB-CG 4.12Å; D7-Q58 PolarHBondContact OD2-NE2 3.24Å; D7-H80 PolarHBondContact O-CE1 3.43Å
8Y95.6Very high81.7Confident2 Ų257.2 Ų57.21%0.00831%0.313CS..EExtended strand (participates in β ladder)trans-94.6119.8174.3-164.5-103.4000109.5T6 V10 T56 L57 Q58 H80 A81 L167 E170 M175T6-Y8 PolarHBondContact O-N 2.84Å; Y8-V10 HydrophobicContact CD1-CG2 4.15Å; Y8-V10 HydrophobicContact CE1-CG2 4.13Å; Y8-T56 PolarHBondContact N-O 2.91Å; Y8-L57 HydrophobicContact CD1-CD1 3.88Å; Y8-L57 CarbonylContact O-C 3.53Å; Y8-L57 WeakPolarHBondContact O-CA 3.39Å; Y8-Q58 PolarHBondContact O-N 3.11Å; Y8-H80 HydrophobicContact CD2-CB 3.91Å; Y8-H80 AromaticContact CD2-ND1 3.64Å; Y8-H80 HydrophobicContact CE1-CB 4.38Å; Y8-H80 HydrophobicContact CE2-CB 3.46Å; Y8-H80 VanDerWaalsContact CE2-CB 3.46Å; Y8-A81 HydrophobicContact CE1-CB 3.88Å; Y8-L167 HydrophobicContact CD1-CD2 3.84Å; Y8-L167 HydrophobicContact CE1-CD2 4Å; Y8-E170 HydrophobicContact CE2-CG 4.04Å; Y8-E170 WeakPolarHBondContact CE2-OE2 3.48Å; Y8-E170 PolarHBondContact OH-OE2 3.27Å; Y8-M175 HydrophobicContact CD1-CE 3.95Å; Y8-M175 HydrophobicContact CD1-SD 4.02Å; Y8-M175 HydrophobicContact CD2-CE 3.81Å; Y8-M175 HydrophobicContact CD2-SD 3.63Å; Y8-M175 HydrophobicContact CE1-CE 3.74Å; Y8-M175 HydrophobicContact CE1-SD 4.42Å; Y8-M175 HydrophobicContact CE2-CE 3.6Å; Y8-M175 HydrophobicContact CE2-SD 4.07Å; Y8-M175 HydrophobicContact CG-CE 3.97Å; Y8-M175 HydrophobicContact CG-SD 3.59Å; Y8-M175 VanDerWaalsContact CG-SD 3.59Å
9R96.8Very high82.6Confident86 Ų8654.8 Ų54.833%0.32530%0.303SS..EExtended strand (participates in β ladder)trans-104.3119.1-170.2-64.9176.3-68.7-1610.9110.7Q58 K78 H80 A81R9-Q58 CarbonylContact C-O 3.5Å; R9-Q58 WeakPolarHBondContact CA-O 3.46Å; R9-Q58 HydrophobicContact CG-CB 4.17Å; R9-K78 PolarHBondContact NE-O 3.14Å; R9-K78 PolarHBondContact NH2-O 3Å; R9-H80 PolarHBondContact N-ND1 2.91Å; R9-H80 VanDerWaalsContact N-ND1 3.13Å; R9-H80 PolarHBondContact NE-CE1 3.43Å; R9-H80 PolarHBondContact NE-NE2 3.39Å; R9-H80 PolarHBondContact NH2-NE2 3.47Å; R9-H80 PolarHBondContact O-N 2.84Å; R9-A81 PolarHBondContact O-N 2.94Å
10V97.9Very high83.4Confident1 Ų152.5 Ų52.51%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-110.3131.7173.8175.90000108.4Y8 L57 Q58 I59 T60 A81 I83 L166Y8-V10 HydrophobicContact CD1-CG2 4.15Å; Y8-V10 HydrophobicContact CE1-CG2 4.13Å; V10-L57 HydrophobicContact CB-CD1 4.47Å; V10-L57 HydrophobicContact CG2-CD1 3.61Å; V10-Q58 PolarHBondContact N-O 3.36Å; V10-I59 CarbonylContact O-C 3.6Å; V10-I59 WeakPolarHBondContact O-CA 3.21Å; V10-T60 PolarHBondContact O-N 2.81Å; V10-A81 WeakPolarHBondContact CA-O 3.39Å; V10-A81 HydrophobicContact CG2-CB 4.2Å; V10-I83 HydrophobicContact CG1-CD1 3.93Å; V10-I83 HydrophobicContact CG1-CG1 3.94Å; V10-L166 HydrophobicContact CB-CD2 4.37Å; V10-L166 HydrophobicContact CG1-CD2 3.65Å; V10-L166 HydrophobicContact CG2-CD2 3.7Å
11A97.3Very high84Confident2 Ų251.4 Ų51.42%0.01729%0.285CS..EExtended strand (participates in β ladder)trans-108.9135170.800000110.4Y13 A79 A81 F82 I83A11-Y13 HydrophobicContact CB-CD2 4.16Å; A11-Y13 HydrophobicContact CB-CE2 3.57Å; A11-A79 HydrophobicContact CB-CB 3.87Å; A11-A81 PolarHBondContact N-O 2.89Å; A11-A81 VanDerWaalsContact N-O 3.09Å; A11-F82 HydrophobicContact CB-CD1 4.04Å; A11-F82 HydrophobicContact CB-CE1 4.2Å; A11-F82 WeakPolarHBondContact O-CA 3.48Å; A11-I83 PolarHBondContact O-N 3.28Å
12V97.9Very high86.9Confident1 Ų142 Ų421%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-107.9116-179.6-1720000109.2K20 V24 I59 T60 T62 I83 V85V12-K20 HydrophobicContact CG1-CB 3.95Å; V12-K20 HydrophobicContact CG1-CD 4.27Å; V12-K20 HydrophobicContact CG1-CG 4.05Å; V12-V24 HydrophobicContact CB-CG2 4.45Å; V12-V24 HydrophobicContact CG2-CG2 3.85Å; V12-I59 HydrophobicContact CG2-CG2 3.76Å; V12-T60 PolarHBondContact N-O 3.27Å; V12-T62 WeakPolarHBondContact O-CG2 3.33Å; V12-T62 PolarHBondContact O-N 2.95Å; V12-T62 PolarHBondContact O-OG1 3.11Å; V12-I83 CarbonylContact C-O 3.59Å; V12-I83 WeakPolarHBondContact CA-O 3.21Å; V12-I83 HydrophobicContact CG1-CB 4.29Å; V12-I83 HydrophobicContact CG1-CG2 4.38Å; V12-I83 HydrophobicContact CG2-CB 4.3Å; V12-I83 HydrophobicContact CG2-CD1 4.3Å; V12-V85 HydrophobicContact CG1-CG2 3.75Å
13Y97.1Very high89.5Confident4 Ų436.5 Ų36.52%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-118.9162.1-177.1-74.1-74.1000112.3A11 T62 Q72 S75 I76 F82 I83 V85 L100A11-Y13 HydrophobicContact CB-CD2 4.16Å; A11-Y13 HydrophobicContact CB-CE2 3.57Å; Y13-T62 HydrophobicContact CD1-CG2 3.97Å; Y13-T62 HydrophobicContact CE1-CG2 3.62Å; Y13-Q72 HydrophobicContact CE1-CG 4.05Å; Y13-S75 WeakPolarHBondContact OH-CB 3.15Å; Y13-I76 HydrophobicContact CE2-CG1 4.08Å; Y13-F82 HydrophobicContact CD2-CD1 4.08Å; Y13-F82 AromaticContact CE2-CD1 3.93Å; Y13-F82 HydrophobicContact CE2-CD1 3.93Å; Y13-F82 HydrophobicContact CE2-CE1 4.05Å; Y13-I83 PolarHBondContact N-O 3.07Å; Y13-V85 PolarHBondContact O-N 2.93Å; Y13-L100 HydrophobicContact CD1-CD1 3.84Å; Y13-L100 HydrophobicContact CG-CD1 3.97Å; Y13-L100 HydrophobicContact CG-CD2 4.14Å
14G97.1Very high91.8Very high9 Ų928.3 Ų28.39%0.09317%0.166CC..  trans143.4164.2-177.100000111.4K20 G64 V85G14-K20 WeakPolarHBondContact O-CE 3.22Å; G14-K20 PolarHBondContact O-NZ 2.71Å; G14-G64 WeakPolarHBondContact O-CA 3.3Å; G14-V85 VanDerWaalsContact CA-O 3.31Å; G14-V85 WeakPolarHBondContact CA-O 3.11Å
15S95.7Very high93.9Very high10 Ų1020.9 Ų20.97%0.0713%0.132CC..  trans-58.8169-176.6-42.60000113.3V18 K20 S93 E96S15-V18 VanDerWaalsContact O-CG2 3.31Å; S15-V18 WeakPolarHBondContact O-CG2 3.49Å; S15-K20 PolarHBondContact O-NZ 3.13Å; S15-S93 WeakPolarHBondContact OG-CA 3.48Å; S15-E96 VanDerWaalsContact CB-OE2 3.24Å; S15-E96 WeakPolarHBondContact CB-OE2 3.28Å; S15-E96 PolarHBondContact OG-OE2 3.27Å
16G95.1Very high95.8Very high28 Ų2820.6 Ų20.629%0.28912%0.124SC..THydrogen-bonded Turntrans-58.1145.9168.500000111.3V18G16-V18 PolarHBondContact O-N 2.78Å; G16-V18 VanDerWaalsContact O-N 3.08Å
17G95.4Very high96.8Very high27 Ų2719 Ų1928%0.27811%0.112SC..THydrogen-bonded Turntrans72.6-3.917300000117.5G19 Y36 K123G17-G19 PolarHBondContact O-N 2.85Å; G17-Y36 PolarHBondContact N-OH 2.61Å; G17-K123 WeakPolarHBondContact O-CE 3.23Å; G17-K123 PolarHBondContact O-NZ 3.24Å
18V97.4Very high97.1Very high1 Ų118.1 Ų18.11%0.00611%0.108CC..SBendtrans-70.5-13.6178.3-550000113.9S15 G16 K20 V85 N122S15-V18 VanDerWaalsContact O-CG2 3.31Å; S15-V18 WeakPolarHBondContact O-CG2 3.49Å; G16-V18 PolarHBondContact O-N 2.78Å; G16-V18 VanDerWaalsContact O-N 3.08Å; V18-K20 HydrophobicContact CG2-CD 4.47Å; V18-K20 HydrophobicContact CG2-CG 3.7Å; V18-V85 HydrophobicContact CB-CG1 4.3Å; V18-V85 HydrophobicContact CG2-CB 3.99Å; V18-V85 HydrophobicContact CG2-CG1 3.85Å; V18-N122 PolarHBondContact O-ND2 3.09Å
19G97.6Very high97.1Very high12 Ų1225.1 Ų25.112%0.12414%0.135CC..SBendtrans97.925.6176.300000116G17 S22 L23G17-G19 PolarHBondContact O-N 2.85Å; G19-S22 PolarHBondContact O-N 2.81Å; G19-L23 WeakPolarHBondContact O-CG 3.47Å; G19-L23 PolarHBondContact O-N 2.6Å
20K98Very high97.1Very high7 Ų723.2 Ų23.23%0.0314%0.142CC..Hα-helixtrans-52.5-58.4174.6-58.4-172.3-60.4-71.10112.3V12 G14 S15 V18 S22 L23 V24 D61 T62 V85V12-K20 HydrophobicContact CG1-CB 3.95Å; V12-K20 HydrophobicContact CG1-CD 4.27Å; V12-K20 HydrophobicContact CG1-CG 4.05Å; G14-K20 WeakPolarHBondContact O-CE 3.22Å; G14-K20 PolarHBondContact O-NZ 2.71Å; S15-K20 PolarHBondContact O-NZ 3.13Å; V18-K20 HydrophobicContact CG2-CD 4.47Å; V18-K20 HydrophobicContact CG2-CG 3.7Å; K20-S22 VanDerWaalsContact C-N 3.3Å; K20-S22 PolarHBondContact O-N 2.89Å; K20-L23 WeakPolarHBondContact O-CB 3.36Å; K20-L23 PolarHBondContact O-N 2.84Å; K20-L23 VanDerWaalsContact O-N 3.13Å; K20-V24 WeakPolarHBondContact O-CG2 3.34Å; K20-V24 PolarHBondContact O-N 3.17Å; K20-D61 WeakPolarHBondContact CB-OD1 3.3Å; K20-T62 WeakPolarHBondContact CE-O 2.86Å; K20-V85 HydrophobicContact CG-CB 4.26Å; K20-V85 HydrophobicContact CG-CG2 4.34Å
21T97.4Very high97Very high31 Ų3126.3 Ų26.319%0.1916%0.161CC..Hα-helixtrans-58.3-41.4177.6-530000112.2L23 V24 L25 T39 D61T21-L23 PolarHBondContact O-N 2.81Å; T21-V24 PolarHBondContact O-N 3.33Å; T21-L25 HydrophobicContact CG2-CD1 3.75Å; T21-L25 HydrophobicContact CG2-CG 4.11Å; T21-L25 VanDerWaalsContact O-CB 3.3Å; T21-L25 WeakPolarHBondContact O-CB 3.23Å; T21-L25 VanDerWaalsContact O-CG 3.32Å; T21-L25 WeakPolarHBondContact O-CG 3.41Å; T21-L25 PolarHBondContact O-N 3.14Å; T21-T39 WeakPolarHBondContact OG1-CG2 3.38Å; T21-T39 PolarHBondContact OG1-OG1 2.96Å; T21-D61 WeakPolarHBondContact CA-OD2 3.41Å; T21-D61 WeakPolarHBondContact CB-OD2 3.44Å; T21-D61 WeakPolarHBondContact CG2-OD2 3.45Å; T21-D61 PolarHBondContact N-OD1 3.02Å; T21-D61 PolarHBondContact OG1-OD1 3.05Å; T21-D61 PolarHBondContact OG1-OD2 3.1Å
22S98Very high97Very high29 Ų2929.1 Ų29.120%0.20317%0.173CC..Hα-helixtrans-63.9-40.2177.5-53.70000112.2G19 K20 R26G19-S22 PolarHBondContact O-N 2.81Å; K20-S22 VanDerWaalsContact C-N 3.3Å; K20-S22 PolarHBondContact O-N 2.89Å; S22-R26 WeakPolarHBondContact O-CB 3.38Å; S22-R26 PolarHBondContact O-N 3.29Å
23L98.3Very high96.7Very high11 Ų1136.6 Ų36.66%0.05820%0.201CC..Hα-helixtrans-63.9-47.1174.3-76.1169.2000111.4G19 K20 T21 R26 F27 V85 V120 N122 T151 A153 V159G19-L23 WeakPolarHBondContact O-CG 3.47Å; G19-L23 PolarHBondContact O-N 2.6Å; K20-L23 WeakPolarHBondContact O-CB 3.36Å; K20-L23 PolarHBondContact O-N 2.84Å; K20-L23 VanDerWaalsContact O-N 3.13Å; T21-L23 PolarHBondContact O-N 2.81Å; L23-R26 PolarHBondContact O-N 2.88Å; L23-F27 WeakPolarHBondContact O-CB 3.42Å; L23-F27 PolarHBondContact O-N 3.15Å; L23-V85 HydrophobicContact CD1-CG1 3.76Å; L23-V85 HydrophobicContact CD1-CG2 4Å; L23-V120 HydrophobicContact CD1-CG1 4.11Å; L23-N122 HydrophobicContact CD1-CB 4.21Å; L23-T151 HydrophobicContact CD2-CG2 4.47Å; L23-A153 HydrophobicContact CD2-CB 4Å; L23-A153 HydrophobicContact CG-CB 4.19Å; L23-V159 HydrophobicContact CD2-CG2 4.04Å
24V98.1Very high96.4Very high0 Ų043.7 Ų43.70%023%0.234CC..Hα-helixtrans-64.6-48.4-179.3176.80000111.2V12 K20 T21 R26 F27 V28 Y44 I59 D61V12-V24 HydrophobicContact CB-CG2 4.45Å; V12-V24 HydrophobicContact CG2-CG2 3.85Å; K20-V24 WeakPolarHBondContact O-CG2 3.34Å; K20-V24 PolarHBondContact O-N 3.17Å; T21-V24 PolarHBondContact O-N 3.33Å; V24-R26 VanDerWaalsContact C-N 3.34Å; V24-R26 PolarHBondContact O-N 2.88Å; V24-F27 PolarHBondContact O-N 3.37Å; V24-V28 HydrophobicContact CG1-CG2 4.26Å; V24-V28 WeakPolarHBondContact O-CB 3.47Å; V24-V28 WeakPolarHBondContact O-CG2 3.46Å; V24-V28 PolarHBondContact O-N 3.39Å; V24-Y44 HydrophobicContact CG1-CD1 4.47Å; V24-Y44 HydrophobicContact CG1-CD2 3.35Å; V24-Y44 HydrophobicContact CG1-CE2 3.85Å; V24-Y44 HydrophobicContact CG1-CG 3.71Å; V24-I59 HydrophobicContact CG1-CB 4.45Å; V24-I59 HydrophobicContact CG1-CG2 3.96Å; V24-I59 HydrophobicContact CG2-CG2 3.85Å; V24-D61 HydrophobicContact CG2-CB 4.26Å
25L97.2Very high96.2Very high14 Ų1448.6 Ų48.67%0.07326%0.263CS..Hα-helixtrans-65.7-37178-71.8179.1000112.4T21 F27 R29 G30 T31 Y44T21-L25 HydrophobicContact CG2-CD1 3.75Å; T21-L25 HydrophobicContact CG2-CG 4.11Å; T21-L25 VanDerWaalsContact O-CB 3.3Å; T21-L25 WeakPolarHBondContact O-CB 3.23Å; T21-L25 VanDerWaalsContact O-CG 3.32Å; T21-L25 WeakPolarHBondContact O-CG 3.41Å; T21-L25 PolarHBondContact O-N 3.14Å; L25-F27 VanDerWaalsContact C-N 3.33Å; L25-R29 HydrophobicContact CD2-CG 4.48Å; L25-R29 CarbonylContact O-C 3.57Å; L25-R29 WeakPolarHBondContact O-CA 3.47Å; L25-R29 WeakPolarHBondContact O-CB 3.32Å; L25-R29 PolarHBondContact O-N 3.22Å; L25-G30 PolarHBondContact O-N 3.39Å; L25-T31 CarbonylContact C-O 3.58Å; L25-T31 PolarHBondContact O-N 3.29Å; L25-Y44 HydrophobicContact CD2-CD1 4.28Å; L25-Y44 HydrophobicContact CD2-CE1 3.38Å; L25-Y44 HydrophobicContact CG-CE1 4.48Å
26R97.9Very high95.9Very high47 Ų4754.6 Ų54.618%0.17728%0.284CS..Hα-helixtrans-64-42.5175.5178.761.178.3-175.815.9110.9S22 L23 V24 G30 T31 F32 A153 K154 N156 V159S22-R26 WeakPolarHBondContact O-CB 3.38Å; S22-R26 PolarHBondContact O-N 3.29Å; L23-R26 PolarHBondContact O-N 2.88Å; V24-R26 VanDerWaalsContact C-N 3.34Å; V24-R26 PolarHBondContact O-N 2.88Å; R26-G30 PolarHBondContact NH1-O 2.99Å; R26-G30 WeakPolarHBondContact O-CA 3.29Å; R26-G30 PolarHBondContact O-N 3.26Å; R26-T31 VanDerWaalsContact CA-O 3.26Å; R26-T31 WeakPolarHBondContact CA-O 3.12Å; R26-T31 PolarHBondContact N-O 3Å; R26-F32 VanDerWaalsContact CZ-CB 3.44Å; R26-A153 PolarHBondContact NE-O 3.3Å; R26-K154 PolarHBondContact NH2-O 3.01Å; R26-N156 WeakPolarHBondContact CD-OD1 3.3Å; R26-N156 HydrophobicContact CG-CB 4.3Å; R26-N156 WeakPolarHBondContact CG-OD1 3.19Å; R26-V159 HydrophobicContact CB-CG1 4.07Å; R26-V159 HydrophobicContact CG-CB 4.21Å; R26-V159 HydrophobicContact CG-CG1 3.86Å; R26-V159 HydrophobicContact CG-CG2 3.96Å
27F97.7Very high95.6Very high29 Ų2958.7 Ų58.713%0.12730%0.299CS..Hα-helixtrans-66-52.1176.6175-111.8000112.9L23 V24 L25 Q46 L57 I59 V159 K160 F163 L177L23-F27 WeakPolarHBondContact O-CB 3.42Å; L23-F27 PolarHBondContact O-N 3.15Å; V24-F27 PolarHBondContact O-N 3.37Å; L25-F27 VanDerWaalsContact C-N 3.33Å; F27-Q46 HydrophobicContact CE1-CB 4.17Å; F27-Q46 HydrophobicContact CE1-CG 4.04Å; F27-Q46 HydrophobicContact CZ-CG 4.16Å; F27-L57 HydrophobicContact CE1-CD2 4.12Å; F27-L57 HydrophobicContact CZ-CD2 4.45Å; F27-I59 HydrophobicContact CD1-CD1 3.63Å; F27-I59 HydrophobicContact CE1-CD1 3.64Å; F27-V159 HydrophobicContact CB-CG1 3.84Å; F27-K160 HydrophobicContact CE2-CG 4.3Å; F27-F163 HydrophobicContact CB-CD2 3.77Å; F27-F163 HydrophobicContact CB-CE2 3.39Å; F27-F163 HydrophobicContact CB-CZ 4.04Å; F27-F163 AromaticContact CD1-CD1 3.97Å; F27-F163 HydrophobicContact CD1-CD1 3.97Å; F27-F163 AromaticContact CD1-CD2 3.71Å; F27-F163 HydrophobicContact CD1-CD2 3.71Å; F27-F163 HydrophobicContact CD1-CE1 4.02Å; F27-F163 AromaticContact CD1-CE2 3.79Å; F27-F163 HydrophobicContact CD1-CE2 3.79Å; F27-F163 AromaticContact CD1-CG 3.83Å; F27-F163 HydrophobicContact CD1-CG 3.83Å; F27-F163 AromaticContact CD1-CZ 3.93Å; F27-F163 HydrophobicContact CD1-CZ 3.93Å; F27-F163 HydrophobicContact CD2-CB 4.16Å; F27-F163 AromaticContact CD2-CD2 3.39Å; F27-F163 HydrophobicContact CD2-CD2 3.39Å; F27-F163 AromaticContact CD2-CE2 3.98Å; F27-F163 HydrophobicContact CD2-CE2 3.98Å; F27-F163 AromaticContact CD2-CG 3.89Å; F27-F163 HydrophobicContact CD2-CG 3.89Å; F27-F163 HydrophobicContact CE1-CB 4.21Å; F27-F163 AromaticContact CE1-CD1 3.96Å; F27-F163 HydrophobicContact CE1-CD1 3.96Å; F27-F163 HydrophobicContact CE1-CD2 4.16Å; F27-F163 HydrophobicContact CE1-CE1 4.4Å; F27-F163 AromaticContact CE1-CG 3.84Å; F27-F163 HydrophobicContact CE1-CG 3.84Å; F27-F163 HydrophobicContact CE2-CB 3.71Å; F27-F163 AromaticContact CE2-CD2 3.86Å; F27-F163 HydrophobicContact CE2-CD2 3.86Å; F27-F163 AromaticContact CE2-CG 3.88Å; F27-F163 HydrophobicContact CE2-CG 3.88Å; F27-F163 HydrophobicContact CG-CD1 4.42Å; F27-F163 AromaticContact CG-CD2 3.31Å; F27-F163 HydrophobicContact CG-CD2 3.31Å; F27-F163 HydrophobicContact CG-CE1 4.49Å; F27-F163 AromaticContact CG-CE2 3.43Å; F27-F163 HydrophobicContact CG-CE2 3.43Å; F27-F163 VanDerWaalsContact CG-CE2 3.43Å; F27-F163 AromaticContact CG-CG 3.86Å; F27-F163 HydrophobicContact CG-CG 3.86Å; F27-F163 HydrophobicContact CG-CZ 4.04Å; F27-F163 HydrophobicContact CZ-CB 3.74Å; F27-F163 HydrophobicContact CZ-CD1 4.37Å; F27-F163 HydrophobicContact CZ-CD2 4.22Å; F27-F163 AromaticContact CZ-CG 3.86Å; F27-F163 HydrophobicContact CZ-CG 3.86Å; F27-L177 HydrophobicContact CE2-CD1 3.7Å; F27-L177 HydrophobicContact CE2-CD2 4.24Å; F27-L177 HydrophobicContact CZ-CD1 4.05Å; F27-L177 HydrophobicContact CZ-CD2 3.72Å
28V96.3Very high95.4Very high30 Ų3061.7 Ų61.718%0.18231%0.313CS..Hα-helixtrans-79-38.9-171177.50000112.2V24 Y44 I59V24-V28 HydrophobicContact CG1-CG2 4.26Å; V24-V28 WeakPolarHBondContact O-CB 3.47Å; V24-V28 WeakPolarHBondContact O-CG2 3.46Å; V24-V28 PolarHBondContact O-N 3.39Å; V28-Y44 HydrophobicContact CG1-CD1 4.45Å; V28-I59 HydrophobicContact CG2-CD1 3.91Å
29R95.4Very high94.9Very high149 Ų14963 Ų6356%0.56232%0.321SS*.Hα-helixtrans-116.2-7.3-171.3-58.8-172-178.2163.80.3113.6L25 T31L25-R29 HydrophobicContact CD2-CG 4.48Å; L25-R29 CarbonylContact O-C 3.57Å; L25-R29 WeakPolarHBondContact O-CA 3.47Å; L25-R29 WeakPolarHBondContact O-CB 3.32Å; L25-R29 PolarHBondContact O-N 3.22Å; R29-T31 HydrophobicContact CB-CG2 4.32Å; R29-T31 PolarHBondContact O-N 2.93Å
30G96.3Very high94.5Very high46 Ų4669.6 Ų69.647%0.47435%0.352SS..SBendtrans65.618-173.700000113.5L25 R26L25-G30 PolarHBondContact O-N 3.39Å; R26-G30 PolarHBondContact NH1-O 2.99Å; R26-G30 WeakPolarHBondContact O-CA 3.29Å; R26-G30 PolarHBondContact O-N 3.26Å
31T96.4Very high94.2Very high65 Ų6572.5 Ų72.540%0.39937%0.366SS..  trans-110.6155.6-176.758.30000112.2L25 R26 R29L25-T31 CarbonylContact C-O 3.58Å; L25-T31 PolarHBondContact O-N 3.29Å; R26-T31 VanDerWaalsContact CA-O 3.26Å; R26-T31 WeakPolarHBondContact CA-O 3.12Å; R26-T31 PolarHBondContact N-O 3Å; R29-T31 HydrophobicContact CB-CG2 4.32Å; R29-T31 PolarHBondContact O-N 2.93Å
32F96.6Very high94Very high61 Ų6174.7 Ų74.727%0.26838%0.376SS..  trans-143145175175.9-97000109.4R26 E34 A153 K154R26-F32 VanDerWaalsContact CZ-CB 3.44Å; F32-E34 HydrophobicContact CD1-CG 4.43Å; F32-E34 HydrophobicContact CE1-CG 3.78Å; F32-A153 HydrophobicContact CD2-CB 4Å; F32-A153 WeakPolarHBondContact CD2-O 3.38Å; F32-A153 HydrophobicContact CE2-CB 4Å; F32-K154 HydrophobicContact CD1-CG 4.3Å; F32-K154 HydrophobicContact CE1-CB 3.9Å; F32-K154 HydrophobicContact CE1-CD 4.36Å; F32-K154 HydrophobicContact CE1-CG 3.67Å; F32-K154 HydrophobicContact CE2-CB 3.94Å; F32-K154 HydrophobicContact CZ-CB 3.58Å; F32-K154 HydrophobicContact CZ-CD 4.45Å; F32-K154 HydrophobicContact CZ-CG 3.85Å
33R92.2Very high93.9Very high159 Ų15976 Ų7660%0.638%0.383SS*.  trans-126.4133.1176.8-64.5179.6179.4172.7-2.2108.1
34E91.3Very high93.8Very high152 Ų15276.4 Ų76.471%0.7138%0.384SS*.SBendtrans-75.8-37.6177.1-70.2-171.4165.300111.7F32 Y36 K154F32-E34 HydrophobicContact CD1-CG 4.43Å; F32-E34 HydrophobicContact CE1-CG 3.78Å; E34-Y36 PolarHBondContact O-N 2.79Å; E34-K154 IonicContact OE1-NZ 2.82Å
35T91.9Very high93.7Very high113 Ų11383 Ų8369%0.69341%0.409SS*.SBendtrans-68.9124.3179.8-46.20000111.1I37T35-I37 PolarHBondContact O-N 3.42Å
36Y89.5Confident93.5Very high135 Ų13585.4 Ų85.453%0.52942%0.42SS..  trans-76.6121.2172.8177.5-116.9000110.8G17 E34 P38G17-Y36 PolarHBondContact N-OH 2.61Å; E34-Y36 PolarHBondContact O-N 2.79Å; Y36-P38 HydrophobicContact CE1-CG 3.91Å
37I89.7Confident93.3Very high115 Ų11586.7 Ų86.759%0.5943%0.433SS*.  trans-117.3120.8168.9-59.5174.7000106.2T35 T39T35-I37 PolarHBondContact O-N 3.42Å; I37-T39 PolarHBondContact O-N 3.5Å
38P89.9Confident93.1Very high90 Ų9085.3 Ų85.358%0.58443%0.427SS*.PPolyproline II helixtrans-52.9127.7175.4-27.935.3000111.9Y36Y36-P38 HydrophobicContact CE1-CG 3.91Å
39T87.9Confident92.8Very high28 Ų2885.5 Ų85.517%0.17243%0.429CS..PPolyproline II helixtrans-73.1132.6-175.3-44.80000110.9T21 I37 D61 T63T21-T39 WeakPolarHBondContact OG1-CG2 3.38Å; T21-T39 PolarHBondContact OG1-OG1 2.96Å; I37-T39 PolarHBondContact O-N 3.5Å; T39-D61 WeakPolarHBondContact CG2-OD2 3.39Å; T39-T63 WeakPolarHBondContact O-CG2 3.18Å
40I88.6Confident92.5Very high151 Ų15178.8 Ų78.877%0.77441%0.405SS*.PPolyproline II helixtrans-90.9137.2154.2-60.8173.6000106D42I40-D42 PolarHBondContact O-N 3.37Å
41E90.7Very high92.1Very high68 Ų6881 Ų8132%0.31841%0.406SS..PPolyproline II helixtrans-51.8128.8-176.8-177.8178103.700111.2T60 D61 T63 Q67E41-T60 HydrophobicContact CG-CG2 3.68Å; E41-D61 VanDerWaalsContact CA-O 3.31Å; E41-D61 WeakPolarHBondContact CA-O 3.11Å; E41-T63 HydrophobicContact CB-CG2 4.35Å; E41-Q67 PolarHBondContact OE2-NE2 2.92Å
42D93.4Very high91.4Very high77 Ų7789.2 Ų89.241%0.41243%0.43SS..EExtended strand (participates in β ladder)trans-136.8154.6178.8-163.35.2000110.4I40 Y44 T60 D61I40-D42 PolarHBondContact O-N 3.37Å; D42-Y44 HydrophobicContact CB-CE2 3.99Å; D42-T60 WeakPolarHBondContact O-CA 3.33Å; D42-D61 PolarHBondContact N-O 3.14Å; D42-D61 VanDerWaalsContact N-O 3.13Å; D42-D61 PolarHBondContact O-N 2.82Å
43T95.8Very high91Very high55 Ų5591.8 Ų91.834%0.33744%0.442SS..EExtended strand (participates in β ladder)trans-119.9115.6178.7-63.60000111Q58 I59 T60T43-Q58 HydrophobicContact CG2-CB 3.99Å; T43-Q58 HydrophobicContact CG2-CG 4.34Å; T43-I59 CarbonylContact C-O 3.58Å; T43-I59 WeakPolarHBondContact CA-O 3.33Å; T43-T60 PolarHBondContact OG1-OG1 3.05Å
44Y96.8Very high90.8Very high21 Ų2189.2 Ų89.28%0.08244%0.444CS..EExtended strand (participates in β ladder)trans-93.7151.7177.1-60.5-95.2000110.7V24 L25 V28 D42 Q58 I59 D61V24-Y44 HydrophobicContact CG1-CD1 4.47Å; V24-Y44 HydrophobicContact CG1-CD2 3.35Å; V24-Y44 HydrophobicContact CG1-CE2 3.85Å; V24-Y44 HydrophobicContact CG1-CG 3.71Å; L25-Y44 HydrophobicContact CD2-CD1 4.28Å; L25-Y44 HydrophobicContact CD2-CE1 3.38Å; L25-Y44 HydrophobicContact CG-CE1 4.48Å; V28-Y44 HydrophobicContact CG1-CD1 4.45Å; D42-Y44 HydrophobicContact CB-CE2 3.99Å; Y44-Q58 CarbonylContact O-C 3.6Å; Y44-Q58 WeakPolarHBondContact O-CA 3.26Å; Y44-I59 PolarHBondContact N-O 3.13Å; Y44-I59 PolarHBondContact O-N 2.88Å; Y44-D61 HydrophobicContact CD2-CB 4.26Å; Y44-D61 HydrophobicContact CE2-CB 3.88Å
45R95.5Very high90.8Very high139 Ų13982.3 Ų82.353%0.52541%0.413SS..EExtended strand (participates in β ladder)trans-122.4131.9-179.3-67.1178.1-178.2-86.5-7.9110.1D7 T56 L57D7-R45 IonicContact OD2-NH1 2.79Å; D7-R45 PolarHBondContact OD2-NH1 3.39Å; D7-R45 VanDerWaalsContact OD2-NH1 3.11Å; R45-T56 HydrophobicContact CB-CG2 3.79Å; R45-T56 HydrophobicContact CG-CG2 3.88Å; R45-L57 CarbonylContact C-O 3.58Å; R45-L57 WeakPolarHBondContact CA-O 3.4Å
46Q94Very high90.8Very high63 Ų6378.8 Ų78.829%0.29439%0.391SS..EExtended strand (participates in β ladder)trans-129139.1172.7-174.559.744.600109.5F27 L57F27-Q46 HydrophobicContact CE1-CB 4.17Å; F27-Q46 HydrophobicContact CE1-CG 4.04Å; F27-Q46 HydrophobicContact CZ-CG 4.16Å; Q46-L57 HydrophobicContact CB-CB 4.33Å; Q46-L57 PolarHBondContact N-O 3.24Å; Q46-L57 WeakPolarHBondContact O-CB 3.46Å; Q46-L57 PolarHBondContact O-N 3.06Å
47V93Very high91.2Very high75 Ų7572.4 Ų72.446%0.45537%0.366SS..EExtended strand (participates in β ladder)trans-76.6129.3174.3-176.30000109.4V54 V178V47-V54 HydrophobicContact CG1-CG1 3.4Å; V47-V54 VanDerWaalsContact CG1-CG1 3.4Å; V47-V178 HydrophobicContact CG1-CG2 4.04Å
48I93.5Very high91.5Very high0 Ų068.4 Ų68.40%035%0.345CS..EExtended strand (participates in β ladder)trans-127.3160.2176.760.9164.5000110.4C55 L57 L167 M175 T176 L177I48-C55 HydrophobicContact CD1-CB 4.28Å; I48-C55 HydrophobicContact CG1-CB 3.83Å; I48-C55 PolarHBondContact N-O 3.28Å; I48-C55 PolarHBondContact O-N 2.99Å; I48-L57 HydrophobicContact CD1-CB 4.04Å; I48-L57 HydrophobicContact CG1-CB 4.13Å; I48-L57 HydrophobicContact CG2-CB 3.68Å; I48-L57 HydrophobicContact CG2-CD2 4.09Å; I48-L57 HydrophobicContact CG2-CG 4.5Å; I48-L167 HydrophobicContact CD1-CD2 4.19Å; I48-L167 HydrophobicContact CG2-CD1 4.11Å; I48-M175 HydrophobicContact CD1-CG 4.39Å; I48-M175 HydrophobicContact CD1-SD 4.05Å; I48-T176 WeakPolarHBondContact CB-O 3.48Å; I48-L177 HydrophobicContact CG2-CD2 3.84Å
49S90.5Very high91.9Very high33 Ų3364.1 Ų64.123%0.23132%0.317CS..EExtended strand (participates in β ladder)trans-91.7132.7165.9-174.10000109.5Q53 M175 T176S49-Q53 CarbonylContact C-O 3.51Å; S49-Q53 WeakPolarHBondContact CA-O 3.5Å; S49-M175 CarbonylContact O-C 3.39Å; S49-M175 WeakPolarHBondContact O-CA 3.24Å; S49-T176 PolarHBondContact N-O 2.75Å; S49-T176 PolarHBondContact O-N 2.93Å
50C88.8Confident92.3Very high9 Ų963.8 Ų63.86%0.06132%0.315CS..EExtended strand (participates in β ladder)trans-135.1120.6175179.90000108.5R52 Q53 C55 N174 M175C50-R52 PolarHBondContact O-N 3.15Å; C50-R52 VanDerWaalsContact O-N 3.13Å; C50-Q53 PolarHBondContact N-O 2.79Å; C50-Q53 WeakPolarHBondContact O-CA 3.26Å; C50-Q53 WeakPolarHBondContact O-CB 3.43Å; C50-Q53 PolarHBondContact O-N 2.83Å; C50-C55 HydrophobicContact CB-CB 3.82Å; C50-C55 WeakPolarHBondContact CB-SG 3.34Å; C50-N174 CarbonylContact C-O 3.51Å; C50-N174 VanDerWaalsContact CA-O 3.3Å; C50-N174 WeakPolarHBondContact CA-O 3.49Å; C50-M175 HydrophobicContact CB-CG 3.86Å
51N87.6Confident92.7Very high92 Ų9256.6 Ų56.649%0.49228%0.278SS..THydrogen-bonded Turntrans50.938.3-177.9-60.4-24.3000112.7Q53 N174N51-Q53 PolarHBondContact O-N 3.41Å; N51-N174 PolarHBondContact N-O 2.99Å; N51-N174 WeakPolarHBondContact OD1-CB 3.35Å; N51-N174 PolarHBondContact OD1-N 3.3Å
52R82.6Confident92.8Very high238 Ų23853.4 Ų53.490%0.89826%0.263SS*.THydrogen-bonded Turntrans64.811-175.5-49.7177-178.3175.80.2115.1C50C50-R52 PolarHBondContact O-N 3.15Å; C50-R52 VanDerWaalsContact O-N 3.13Å
53Q87.9Confident92.6Very high114 Ų11451 Ų5153%0.53325%0.251SS..EExtended strand (participates in β ladder)trans-105.5161170.2-61.8-176.61.600110.5S49 C50 N51S49-Q53 CarbonylContact C-O 3.51Å; S49-Q53 WeakPolarHBondContact CA-O 3.5Å; C50-Q53 PolarHBondContact N-O 2.79Å; C50-Q53 WeakPolarHBondContact O-CA 3.26Å; C50-Q53 WeakPolarHBondContact O-CB 3.43Å; C50-Q53 PolarHBondContact O-N 2.83Å; N51-Q53 PolarHBondContact O-N 3.41Å
54V87.8Confident91.8Very high106 Ų10649.2 Ų49.264%0.64224%0.244SC*.EExtended strand (participates in β ladder)trans-82.3126.9174.7-179.80000109V47V47-V54 HydrophobicContact CG1-CG1 3.4Å; V47-V54 VanDerWaalsContact CG1-CG1 3.4Å
55C90.8Very high90.6Very high6 Ų652 Ų524%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-125.3162.3175.2-80.40000111P5 I48 C50P5-C55 WeakPolarHBondContact CB-SG 3.46Å; I48-C55 HydrophobicContact CD1-CB 4.28Å; I48-C55 HydrophobicContact CG1-CB 3.83Å; I48-C55 PolarHBondContact N-O 3.28Å; I48-C55 PolarHBondContact O-N 2.99Å; C50-C55 HydrophobicContact CB-CB 3.82Å; C50-C55 WeakPolarHBondContact CB-SG 3.34Å
56T93.5Very high89.5Confident40 Ų4053.5 Ų53.525%0.24528%0.279CS..EExtended strand (participates in β ladder)trans-96.2126.6166.9-42.40000110.4D7 Y8 R45 Q58D7-T56 WeakPolarHBondContact CA-O 3.37Å; D7-T56 VanDerWaalsContact OD1-CB 3.22Å; D7-T56 WeakPolarHBondContact OD1-CB 3.5Å; D7-T56 PolarHBondContact OD1-OG1 2.79Å; Y8-T56 PolarHBondContact N-O 2.91Å; R45-T56 HydrophobicContact CB-CG2 3.79Å; R45-T56 HydrophobicContact CG-CG2 3.88Å; T56-Q58 HydrophobicContact CG2-CG 4.47Å
57L96.5Very high88.7Confident1 Ų151.8 Ų51.81%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-84.6114.2159.8179.162.5000108.1Y8 V10 F27 R45 Q46 I48 I59 L167Y8-L57 HydrophobicContact CD1-CD1 3.88Å; Y8-L57 CarbonylContact O-C 3.53Å; Y8-L57 WeakPolarHBondContact O-CA 3.39Å; V10-L57 HydrophobicContact CB-CD1 4.47Å; V10-L57 HydrophobicContact CG2-CD1 3.61Å; F27-L57 HydrophobicContact CE1-CD2 4.12Å; F27-L57 HydrophobicContact CZ-CD2 4.45Å; R45-L57 CarbonylContact C-O 3.58Å; R45-L57 WeakPolarHBondContact CA-O 3.4Å; Q46-L57 HydrophobicContact CB-CB 4.33Å; Q46-L57 PolarHBondContact N-O 3.24Å; Q46-L57 WeakPolarHBondContact O-CB 3.46Å; Q46-L57 PolarHBondContact O-N 3.06Å; I48-L57 HydrophobicContact CD1-CB 4.04Å; I48-L57 HydrophobicContact CG1-CB 4.13Å; I48-L57 HydrophobicContact CG2-CB 3.68Å; I48-L57 HydrophobicContact CG2-CD2 4.09Å; I48-L57 HydrophobicContact CG2-CG 4.5Å; L57-I59 HydrophobicContact CD2-CD1 3.97Å; L57-I59 HydrophobicContact CD2-CG1 4.11Å; L57-I59 HydrophobicContact CG-CD1 4.23Å; L57-I59 HydrophobicContact CG-CG1 3.87Å; L57-L167 HydrophobicContact CD1-CD2 4.15Å
58Q97.1Very high88.3Confident31 Ų3155.2 Ų55.215%0.14528%0.28CS..EExtended strand (participates in β ladder)trans-93125169.4-69.8-172.9-0.100109.1D7 Y8 R9 V10 T43 Y44 T56D7-Q58 HydrophobicContact CB-CG 4.12Å; D7-Q58 PolarHBondContact OD2-NE2 3.24Å; Y8-Q58 PolarHBondContact O-N 3.11Å; R9-Q58 CarbonylContact C-O 3.5Å; R9-Q58 WeakPolarHBondContact CA-O 3.46Å; R9-Q58 HydrophobicContact CG-CB 4.17Å; V10-Q58 PolarHBondContact N-O 3.36Å; T43-Q58 HydrophobicContact CG2-CB 3.99Å; T43-Q58 HydrophobicContact CG2-CG 4.34Å; Y44-Q58 CarbonylContact O-C 3.6Å; Y44-Q58 WeakPolarHBondContact O-CA 3.26Å; T56-Q58 HydrophobicContact CG2-CG 4.47Å
59I97.9Very high88Confident0 Ų058.9 Ų58.90%030%0.304CS..EExtended strand (participates in β ladder)trans-117107.7179.5-53.6166.5000107.9V10 V12 V24 F27 V28 T43 Y44 L57 D61 F163V10-I59 CarbonylContact O-C 3.6Å; V10-I59 WeakPolarHBondContact O-CA 3.21Å; V12-I59 HydrophobicContact CG2-CG2 3.76Å; V24-I59 HydrophobicContact CG1-CB 4.45Å; V24-I59 HydrophobicContact CG1-CG2 3.96Å; V24-I59 HydrophobicContact CG2-CG2 3.85Å; F27-I59 HydrophobicContact CD1-CD1 3.63Å; F27-I59 HydrophobicContact CE1-CD1 3.64Å; V28-I59 HydrophobicContact CG2-CD1 3.91Å; T43-I59 CarbonylContact C-O 3.58Å; T43-I59 WeakPolarHBondContact CA-O 3.33Å; Y44-I59 PolarHBondContact N-O 3.13Å; Y44-I59 PolarHBondContact O-N 2.88Å; L57-I59 HydrophobicContact CD2-CD1 3.97Å; L57-I59 HydrophobicContact CD2-CG1 4.11Å; L57-I59 HydrophobicContact CG-CD1 4.23Å; L57-I59 HydrophobicContact CG-CG1 3.87Å; I59-D61 PolarHBondContact O-N 2.75Å; I59-F163 HydrophobicContact CD1-CD1 4.02Å; I59-F163 HydrophobicContact CD1-CE1 3.6Å; I59-F163 HydrophobicContact CD1-CZ 4.31Å; I59-F163 HydrophobicContact CG1-CE1 4.2Å; I59-F163 HydrophobicContact CG2-CE1 4.15Å
60T96.8Very high87.9Confident20 Ų2059.9 Ų59.912%0.12332%0.315CS..EExtended strand (participates in β ladder)trans-84.7109.5174.4-570000109V10 V12 E41 D42 T43 T62V10-T60 PolarHBondContact O-N 2.81Å; V12-T60 PolarHBondContact N-O 3.27Å; E41-T60 HydrophobicContact CG-CG2 3.68Å; D42-T60 WeakPolarHBondContact O-CA 3.33Å; T43-T60 PolarHBondContact OG1-OG1 3.05Å; T60-T62 HydrophobicContact CG2-CG2 4.19Å
61D95.7Very high87.8Confident0 Ų063.9 Ų63.90%033%0.334CS..EExtended strand (participates in β ladder)trans-84.8106.9170.8-178.928.2000108.3K20 T21 V24 T39 E41 D42 Y44 I59K20-D61 WeakPolarHBondContact CB-OD1 3.3Å; T21-D61 WeakPolarHBondContact CA-OD2 3.41Å; T21-D61 WeakPolarHBondContact CB-OD2 3.44Å; T21-D61 WeakPolarHBondContact CG2-OD2 3.45Å; T21-D61 PolarHBondContact N-OD1 3.02Å; T21-D61 PolarHBondContact OG1-OD1 3.05Å; T21-D61 PolarHBondContact OG1-OD2 3.1Å; V24-D61 HydrophobicContact CG2-CB 4.26Å; T39-D61 WeakPolarHBondContact CG2-OD2 3.39Å; E41-D61 VanDerWaalsContact CA-O 3.31Å; E41-D61 WeakPolarHBondContact CA-O 3.11Å; D42-D61 PolarHBondContact N-O 3.14Å; D42-D61 VanDerWaalsContact N-O 3.13Å; D42-D61 PolarHBondContact O-N 2.82Å; Y44-D61 HydrophobicContact CD2-CB 4.26Å; Y44-D61 HydrophobicContact CE2-CB 3.88Å; I59-D61 PolarHBondContact O-N 2.75Å
62T94.1Very high88Confident1 Ų161.4 Ų61.41%0.00632%0.319CS..  trans-83.8160.8-173.3750000111.3V12 Y13 K20 T60V12-T62 WeakPolarHBondContact O-CG2 3.33Å; V12-T62 PolarHBondContact O-N 2.95Å; V12-T62 PolarHBondContact O-OG1 3.11Å; Y13-T62 HydrophobicContact CD1-CG2 3.97Å; Y13-T62 HydrophobicContact CE1-CG2 3.62Å; K20-T62 WeakPolarHBondContact CE-O 2.86Å; T60-T62 HydrophobicContact CG2-CG2 4.19Å
63T89.7Confident88.4Confident26 Ų2655.8 Ų55.816%0.1630%0.298CS..  trans-60.5159.8161.175.40000109.2T39 E41 Q67T39-T63 WeakPolarHBondContact O-CG2 3.18Å; E41-T63 HydrophobicContact CB-CG2 4.35Å; T63-Q67 PolarHBondContact OG1-N 3.39Å
64G77.6Confident88.6Confident19 Ų1954 Ų5420%0.19629%0.292CS..SBendtrans-68.9-124.3174.700000112.4G14 H66G14-G64 WeakPolarHBondContact O-CA 3.3Å; G64-H66 PolarHBondContact O-N 3.45Å
65S71.4Confident88.8Confident80 Ų8049.7 Ų49.756%0.55927%0.266SS*.THydrogen-bonded Turntrans-70-5.6-179.342.10000115
66H73.1Confident89Confident169 Ų16949.4 Ų49.478%0.78227%0.265SS*.THydrogen-bonded Turntrans-97.617-170.6-58.3-64.4000115G64G64-H66 PolarHBondContact O-N 3.45Å
67Q76.8Confident89.1Confident28 Ų2852 Ų5213%0.13128%0.277CS..  trans-78.9133-179.9-166.7163.342.800111.8E41 T63 M71 Q72E41-Q67 PolarHBondContact OE2-NE2 2.92Å; T63-Q67 PolarHBondContact OG1-N 3.39Å; Q67-M71 HydrophobicContact CG-CB 4.36Å; Q67-Q72 HydrophobicContact CG-CB 4.05Å
68F84.6Confident89Confident146 Ų14656.8 Ų56.864%0.6430%0.298SS*.  trans-61.4127.8172.5-173.7-113.5000110.1A70 M71 Q72F68-A70 VanDerWaalsContact C-N 3.28Å; F68-A70 HydrophobicContact CD1-CB 3.7Å; F68-A70 HydrophobicContact CE1-CB 3.48Å; F68-A70 VanDerWaalsContact CE1-CB 3.48Å; F68-A70 PolarHBondContact O-N 3.19Å; F68-A70 VanDerWaalsContact O-N 3.11Å; F68-M71 HydrophobicContact CB-CB 4.46Å; F68-M71 HydrophobicContact CB-CG 4.3Å; F68-M71 HydrophobicContact CD1-CG 4.3Å; F68-M71 WeakPolarHBondContact O-CA 3.33Å; F68-M71 WeakPolarHBondContact O-CB 3.46Å; F68-M71 PolarHBondContact O-N 3.13Å; F68-Q72 PolarHBondContact O-N 3.25Å
69P86.7Confident88.9Confident77 Ų7755.6 Ų55.650%0.529%0.293SS..Hα-helixtrans-54.6-37.4-171.4-30.835.7000114.8M71 Q72 R73P69-M71 VanDerWaalsContact C-N 3.33Å; P69-M71 PolarHBondContact O-N 3.46Å; P69-Q72 PolarHBondContact O-N 2.96Å; P69-R73 WeakPolarHBondContact O-CG 3.34Å; P69-R73 PolarHBondContact O-N 2.97Å
70A89Confident88.9Confident55 Ų5557.2 Ų57.246%0.45530%0.3SS..Hα-helixtrans-66.1-35.5177.900000112.6F68 L74F68-A70 VanDerWaalsContact C-N 3.28Å; F68-A70 HydrophobicContact CD1-CB 3.7Å; F68-A70 HydrophobicContact CE1-CB 3.48Å; F68-A70 VanDerWaalsContact CE1-CB 3.48Å; F68-A70 PolarHBondContact O-N 3.19Å; F68-A70 VanDerWaalsContact O-N 3.11Å; A70-L74 PolarHBondContact O-N 2.89Å; A70-L74 VanDerWaalsContact O-N 3.07Å
71M87.5Confident88.9Confident92 Ų9256.3 Ų56.345%0.45330%0.295SS..Hα-helixtrans-71-41.8175.8-67.6-56.1-63.600110.8Q67 F68 P69 R73 L74 S75Q67-M71 HydrophobicContact CG-CB 4.36Å; F68-M71 HydrophobicContact CB-CB 4.46Å; F68-M71 HydrophobicContact CB-CG 4.3Å; F68-M71 HydrophobicContact CD1-CG 4.3Å; F68-M71 WeakPolarHBondContact O-CA 3.33Å; F68-M71 WeakPolarHBondContact O-CB 3.46Å; F68-M71 PolarHBondContact O-N 3.13Å; P69-M71 VanDerWaalsContact C-N 3.33Å; P69-M71 PolarHBondContact O-N 3.46Å; M71-R73 VanDerWaalsContact C-N 3.34Å; M71-R73 PolarHBondContact O-N 3.43Å; M71-L74 PolarHBondContact O-N 3.4Å; M71-S75 PolarHBondContact O-N 3.22Å; M71-S75 PolarHBondContact O-OG 2.84Å
72Q90.6Very high89.1Confident40 Ų4056.3 Ų56.319%0.18730%0.295CS..Hα-helixtrans-57.3-48.6173.7-173.4-179.943.800110.9Y13 Q67 F68 P69 L74 S75 I76Y13-Q72 HydrophobicContact CE1-CG 4.05Å; Q67-Q72 HydrophobicContact CG-CB 4.05Å; F68-Q72 PolarHBondContact O-N 3.25Å; P69-Q72 PolarHBondContact O-N 2.96Å; Q72-L74 VanDerWaalsContact C-N 3.31Å; Q72-L74 PolarHBondContact O-N 3.04Å; Q72-S75 PolarHBondContact O-N 3.28Å; Q72-I76 HydrophobicContact CG-CD1 3.82Å; Q72-I76 HydrophobicContact CG-CG1 4.42Å; Q72-I76 WeakPolarHBondContact O-CB 3.31Å; Q72-I76 VanDerWaalsContact O-CG1 3.27Å; Q72-I76 WeakPolarHBondContact O-CG1 3.47Å; Q72-I76 PolarHBondContact O-N 2.88Å
73R92.1Very high89.3Confident120 Ų12056.4 Ų56.445%0.45330%0.295SS..Hα-helixtrans-57.5-41.2176.1-75.8176.9174.3-172.2-0.9112.9P69 M71 N77 E103 I107P69-R73 WeakPolarHBondContact O-CG 3.34Å; P69-R73 PolarHBondContact O-N 2.97Å; M71-R73 VanDerWaalsContact C-N 3.34Å; M71-R73 PolarHBondContact O-N 3.43Å; R73-N77 WeakPolarHBondContact O-CB 3.28Å; R73-N77 PolarHBondContact O-N 2.92Å; R73-N77 PolarHBondContact O-ND2 2.81Å; R73-E103 WeakPolarHBondContact CG-OE1 3.47Å; R73-E103 IonicContact CZ-OE1 3.34Å; R73-E103 IonicContact NE-OE1 2.73Å; R73-E103 PolarHBondContact NE-OE1 2.72Å; R73-E103 IonicContact NH2-OE1 3.08Å; R73-E103 PolarHBondContact NH2-OE1 3.26Å; R73-E103 VanDerWaalsContact NH2-OE1 3.08Å; R73-E103 IonicContact NH2-OE2 3.78Å; R73-I107 HydrophobicContact CB-CD1 4.27Å; R73-I107 HydrophobicContact CG-CD1 3.79Å; R73-I107 HydrophobicContact CG-CG1 4.43Å
74L91.5Very high89.7Confident77 Ų7755.2 Ų55.240%0.40329%0.288SS..Hα-helixtrans-66.2-44.4177.3-176.364.9000111.8A70 M71 Q72 N77 K78A70-L74 PolarHBondContact O-N 2.89Å; A70-L74 VanDerWaalsContact O-N 3.07Å; M71-L74 PolarHBondContact O-N 3.4Å; Q72-L74 VanDerWaalsContact C-N 3.31Å; Q72-L74 PolarHBondContact O-N 3.04Å; L74-N77 PolarHBondContact O-N 3.11Å; L74-K78 HydrophobicContact CG-CD 4.39Å; L74-K78 WeakPolarHBondContact O-CG 3.22Å; L74-K78 PolarHBondContact O-N 3.23Å; L74-K78 VanDerWaalsContact O-N 3.11Å
75S92.2Very high90.7Very high16 Ų1654.3 Ų54.311%0.11228%0.278CS..Hα-helixtrans-64.5-42.8178-66.50000111.4Y13 M71 Q72 N77 K78 A79Y13-S75 WeakPolarHBondContact OH-CB 3.15Å; M71-S75 PolarHBondContact O-N 3.22Å; M71-S75 PolarHBondContact O-OG 2.84Å; Q72-S75 PolarHBondContact O-N 3.28Å; S75-N77 PolarHBondContact O-N 2.64Å; S75-K78 PolarHBondContact O-N 3.48Å; S75-A79 PolarHBondContact O-N 3.33Å
76I95Very high92Very high0 Ų050.5 Ų50.50%025%0.252CS..Hα-helixtrans-58.8-49173.3-68.8169.6000110.7Y13 Q72 K78 A79 F82 E103 L104 I107 K108Y13-I76 HydrophobicContact CE2-CG1 4.08Å; Q72-I76 HydrophobicContact CG-CD1 3.82Å; Q72-I76 HydrophobicContact CG-CG1 4.42Å; Q72-I76 WeakPolarHBondContact O-CB 3.31Å; Q72-I76 VanDerWaalsContact O-CG1 3.27Å; Q72-I76 WeakPolarHBondContact O-CG1 3.47Å; Q72-I76 PolarHBondContact O-N 2.88Å; I76-K78 VanDerWaalsContact C-N 3.28Å; I76-K78 PolarHBondContact O-N 3.38Å; I76-A79 PolarHBondContact O-N 3.49Å; I76-F82 HydrophobicContact CB-CE1 4.42Å; I76-F82 HydrophobicContact CB-CZ 4.45Å; I76-F82 HydrophobicContact CG1-CE1 4.29Å; I76-F82 HydrophobicContact CG2-CE1 4.29Å; I76-F82 HydrophobicContact CG2-CZ 3.89Å; I76-E103 HydrophobicContact CD1-CG 4.27Å; I76-L104 HydrophobicContact CB-CD2 4.2Å; I76-L104 HydrophobicContact CD1-CD2 3.74Å; I76-L104 HydrophobicContact CD1-CG 4.46Å; I76-L104 HydrophobicContact CG1-CD2 3.62Å; I76-L104 HydrophobicContact CG2-CD2 3.57Å; I76-I107 HydrophobicContact CB-CD1 3.88Å; I76-I107 HydrophobicContact CB-CG2 4.38Å; I76-I107 HydrophobicContact CD1-CD1 3.51Å; I76-I107 HydrophobicContact CG1-CD1 4.28Å; I76-I107 HydrophobicContact CG2-CB 3.83Å; I76-I107 HydrophobicContact CG2-CD1 3.69Å; I76-I107 HydrophobicContact CG2-CG1 4.41Å; I76-I107 HydrophobicContact CG2-CG2 3.61Å; I76-K108 HydrophobicContact CG2-CG 4.36Å; I76-K108 WeakPolarHBondContact O-CE 3.43Å; I76-K108 PolarHBondContact O-NZ 3.07Å
77N94.6Very high93.2Very high93 Ų9342.6 Ų42.650%0.49722%0.215SC..Hα-helixtrans-57.1-41.5179.5-87.1-56.2000112.4R73 L74 S75 I107 K108R73-N77 WeakPolarHBondContact O-CB 3.28Å; R73-N77 PolarHBondContact O-N 2.92Å; R73-N77 PolarHBondContact O-ND2 2.81Å; L74-N77 PolarHBondContact O-N 3.11Å; S75-N77 PolarHBondContact O-N 2.64Å; N77-I107 VanDerWaalsContact OD1-CG2 3.24Å; N77-I107 WeakPolarHBondContact OD1-CG2 3.47Å; N77-K108 PolarHBondContact O-NZ 3.11Å; N77-K108 VanDerWaalsContact O-NZ 3.07Å
78K94.1Very high94.3Very high103 Ų10341.2 Ų41.245%0.44821%0.209SC..Hα-helixtrans-74.1-31.6-179.4-70.5174.2-179.8175.30113.8R9 L74 S75 I76R9-K78 PolarHBondContact NE-O 3.14Å; R9-K78 PolarHBondContact NH2-O 3Å; L74-K78 HydrophobicContact CG-CD 4.39Å; L74-K78 WeakPolarHBondContact O-CG 3.22Å; L74-K78 PolarHBondContact O-N 3.23Å; L74-K78 VanDerWaalsContact O-N 3.11Å; S75-K78 PolarHBondContact O-N 3.48Å; I76-K78 VanDerWaalsContact C-N 3.28Å; I76-K78 PolarHBondContact O-N 3.38Å
79A96.7Very high94.9Very high5 Ų535.4 Ų35.44%0.04119%0.186CC..  trans-67142.3-176.100000112.4A11 S75 I76 F82 K108A11-A79 HydrophobicContact CB-CB 3.87Å; S75-A79 PolarHBondContact O-N 3.33Å; I76-A79 PolarHBondContact O-N 3.49Å; A79-F82 HydrophobicContact CB-CD1 4.22Å; A79-F82 HydrophobicContact CB-CE1 3.48Å; A79-F82 VanDerWaalsContact CB-CE1 3.48Å; A79-F82 HydrophobicContact CB-CZ 3.67Å; A79-K108 PolarHBondContact O-NZ 2.86Å
80H96.7Very high95.5Very high35 Ų3534.8 Ų34.816%0.16218%0.178CC..SBendtrans-95.8-21.7175.1-54.3147.1000112.6D7 Y8 R9D7-H80 PolarHBondContact O-CE1 3.43Å; Y8-H80 HydrophobicContact CD2-CB 3.91Å; Y8-H80 AromaticContact CD2-ND1 3.64Å; Y8-H80 HydrophobicContact CE1-CB 4.38Å; Y8-H80 HydrophobicContact CE2-CB 3.46Å; Y8-H80 VanDerWaalsContact CE2-CB 3.46Å; R9-H80 PolarHBondContact N-ND1 2.91Å; R9-H80 VanDerWaalsContact N-ND1 3.13Å; R9-H80 PolarHBondContact NE-CE1 3.43Å; R9-H80 PolarHBondContact NE-NE2 3.39Å; R9-H80 PolarHBondContact NH2-NE2 3.47Å; R9-H80 PolarHBondContact O-N 2.84Å
81A98Very high95.9Very high0 Ų036.9 Ų36.90%018%0.177CC..EExtended strand (participates in β ladder)trans-152.6159.8178.800000110.9Y8 R9 V10 A11 P116 L166Y8-A81 HydrophobicContact CE1-CB 3.88Å; R9-A81 PolarHBondContact O-N 2.94Å; V10-A81 WeakPolarHBondContact CA-O 3.39Å; V10-A81 HydrophobicContact CG2-CB 4.2Å; A11-A81 PolarHBondContact N-O 2.89Å; A11-A81 VanDerWaalsContact N-O 3.09Å; A81-P116 CarbonylContact C-O 3.6Å; A81-P116 VanDerWaalsContact CA-O 3.28Å; A81-P116 WeakPolarHBondContact CA-O 3.31Å; A81-P116 HydrophobicContact CB-CB 3.9Å; A81-P116 HydrophobicContact CB-CG 4.31Å; A81-P116 WeakPolarHBondContact CB-O 3.41Å; A81-L166 HydrophobicContact CB-CD1 4.13Å; A81-L166 HydrophobicContact CB-CD2 3.99Å; A81-L166 HydrophobicContact CB-CG 4.06Å
82F98.4Very high96.4Very high0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-130.9142.1-174.7-59.2-80.3000112.4A11 Y13 I76 A79 L84 L104 K108 I115 P116 I117 M118 L166A11-F82 HydrophobicContact CB-CD1 4.04Å; A11-F82 HydrophobicContact CB-CE1 4.2Å; A11-F82 WeakPolarHBondContact O-CA 3.48Å; Y13-F82 HydrophobicContact CD2-CD1 4.08Å; Y13-F82 AromaticContact CE2-CD1 3.93Å; Y13-F82 HydrophobicContact CE2-CD1 3.93Å; Y13-F82 HydrophobicContact CE2-CE1 4.05Å; I76-F82 HydrophobicContact CB-CE1 4.42Å; I76-F82 HydrophobicContact CB-CZ 4.45Å; I76-F82 HydrophobicContact CG1-CE1 4.29Å; I76-F82 HydrophobicContact CG2-CE1 4.29Å; I76-F82 HydrophobicContact CG2-CZ 3.89Å; A79-F82 HydrophobicContact CB-CD1 4.22Å; A79-F82 HydrophobicContact CB-CE1 3.48Å; A79-F82 VanDerWaalsContact CB-CE1 3.48Å; A79-F82 HydrophobicContact CB-CZ 3.67Å; F82-L84 HydrophobicContact CB-CD2 4.4Å; F82-L104 HydrophobicContact CD1-CD1 4.47Å; F82-L104 HydrophobicContact CD1-CD2 3.78Å; F82-L104 HydrophobicContact CD2-CD2 4.21Å; F82-L104 HydrophobicContact CE1-CD2 3.5Å; F82-L104 VanDerWaalsContact CE1-CD2 3.5Å; F82-L104 HydrophobicContact CE2-CD2 3.95Å; F82-L104 HydrophobicContact CG-CD1 4.25Å; F82-L104 HydrophobicContact CG-CD2 4.13Å; F82-L104 HydrophobicContact CZ-CD2 3.6Å; F82-K108 HydrophobicContact CE2-CG 4.36Å; F82-I115 HydrophobicContact CD2-CG2 3.64Å; F82-I115 HydrophobicContact CE2-CG2 3.76Å; F82-P116 PolarHBondContact N-O 2.82Å; F82-I117 HydrophobicContact CB-CG1 4.32Å; F82-I117 HydrophobicContact CD2-CG1 4.26Å; F82-I117 CarbonylContact O-C 3.58Å; F82-I117 WeakPolarHBondContact O-CA 3.4Å; F82-M118 PolarHBondContact O-N 2.73Å; F82-L166 WeakPolarHBondContact O-CD1 3.4Å
83I98.6Very high96.8Very high4 Ų433.1 Ų33.12%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-115.9123166.5-58.3175.9000107.4V10 A11 V12 Y13 V85 M118 V120 V162 F163 L166V10-I83 HydrophobicContact CG1-CD1 3.93Å; V10-I83 HydrophobicContact CG1-CG1 3.94Å; A11-I83 PolarHBondContact O-N 3.28Å; V12-I83 CarbonylContact C-O 3.59Å; V12-I83 WeakPolarHBondContact CA-O 3.21Å; V12-I83 HydrophobicContact CG1-CB 4.29Å; V12-I83 HydrophobicContact CG1-CG2 4.38Å; V12-I83 HydrophobicContact CG2-CB 4.3Å; V12-I83 HydrophobicContact CG2-CD1 4.3Å; Y13-I83 PolarHBondContact N-O 3.07Å; I83-V85 HydrophobicContact CG2-CG2 3.78Å; I83-M118 CarbonylContact C-O 3.57Å; I83-M118 WeakPolarHBondContact CA-O 3.38Å; I83-M118 HydrophobicContact CG1-CB 4.47Å; I83-V120 HydrophobicContact CG2-CB 4.38Å; I83-V120 HydrophobicContact CG2-CG2 3.64Å; I83-V162 HydrophobicContact CD1-CG1 3.88Å; I83-V162 HydrophobicContact CG1-CG1 4.42Å; I83-V162 HydrophobicContact CG2-CG1 4.31Å; I83-F163 HydrophobicContact CD1-CD1 3.98Å; I83-F163 HydrophobicContact CD1-CE1 3.59Å; I83-F163 HydrophobicContact CD1-CZ 3.97Å; I83-L166 HydrophobicContact CD1-CD2 4.02Å; I83-L166 HydrophobicContact CG1-CD2 3.74Å
84L98.4Very high97.1Very high0 Ų028.6 Ų28.60%015%0.151CC..EExtended strand (participates in β ladder)trans-108.4111.5180-54.9-169.3000108.8F82 L97 L100 Y101 L104 I117 M118 L119 V120 W144F82-L84 HydrophobicContact CB-CD2 4.4Å; L84-L97 HydrophobicContact CB-CD1 4.39Å; L84-L97 HydrophobicContact CB-CD2 4.29Å; L84-L100 HydrophobicContact CD1-CD2 4.35Å; L84-L100 HydrophobicContact CD2-CD2 3.34Å; L84-L100 HydrophobicContact CG-CD2 4.37Å; L84-Y101 HydrophobicContact CD1-CD2 4.12Å; L84-L104 HydrophobicContact CD1-CD1 4.28Å; L84-L104 HydrophobicContact CD2-CD1 3.99Å; L84-I117 HydrophobicContact CD1-CG2 4.03Å; L84-I117 HydrophobicContact CG-CG2 4.08Å; L84-M118 PolarHBondContact N-O 3.46Å; L84-L119 HydrophobicContact CB-CD1 4.27Å; L84-L119 CarbonylContact O-C 3.52Å; L84-L119 WeakPolarHBondContact O-CA 3.38Å; L84-V120 PolarHBondContact O-N 2.89Å; L84-W144 HydrophobicContact CD1-CE3 4.29Å; L84-W144 HydrophobicContact CD1-CZ3 3.81Å
85V98.7Very high97.4Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-109.5131-170.6-169.70000110.4V12 Y13 G14 V18 K20 L23 I83 V120 N122V12-V85 HydrophobicContact CG1-CG2 3.75Å; Y13-V85 PolarHBondContact O-N 2.93Å; G14-V85 VanDerWaalsContact CA-O 3.31Å; G14-V85 WeakPolarHBondContact CA-O 3.11Å; V18-V85 HydrophobicContact CB-CG1 4.3Å; V18-V85 HydrophobicContact CG2-CB 3.99Å; V18-V85 HydrophobicContact CG2-CG1 3.85Å; K20-V85 HydrophobicContact CG-CB 4.26Å; K20-V85 HydrophobicContact CG-CG2 4.34Å; L23-V85 HydrophobicContact CD1-CG1 3.76Å; L23-V85 HydrophobicContact CD1-CG2 4Å; I83-V85 HydrophobicContact CG2-CG2 3.78Å; V85-V120 WeakPolarHBondContact CA-O 3.26Å; V85-V120 HydrophobicContact CG1-CG1 4.47Å; V85-V120 HydrophobicContact CG2-CB 4.34Å; V85-N122 HydrophobicContact CG1-CB 3.88Å
86Y98.8Very high97.6Very high0 Ų032.4 Ų32.40%017%0.167CC..EExtended strand (participates in β ladder)trans-124.1164.2164.671.5-82.3000110.1I88 F94 L97 L119 V120 N122 V132 F148Y86-I88 HydrophobicContact CE2-CG2 4.18Å; Y86-F94 AromaticContact CD1-CD2 3.77Å; Y86-F94 HydrophobicContact CD1-CD2 3.77Å; Y86-F94 HydrophobicContact CD1-CE2 4.46Å; Y86-F94 HydrophobicContact CD2-CB 3.84Å; Y86-F94 AromaticContact CD2-CD2 3.78Å; Y86-F94 HydrophobicContact CD2-CD2 3.78Å; Y86-F94 HydrophobicContact CD2-CG 4.28Å; Y86-F94 AromaticContact CE1-CD2 3.74Å; Y86-F94 HydrophobicContact CE1-CD2 3.74Å; Y86-F94 HydrophobicContact CE1-CE2 4.07Å; Y86-F94 HydrophobicContact CE2-CB 4.46Å; Y86-F94 AromaticContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CG-CB 4.05Å; Y86-F94 AromaticContact CG-CD2 3.78Å; Y86-F94 HydrophobicContact CG-CD2 3.78Å; Y86-F94 HydrophobicContact CG-CG 4.43Å; Y86-F94 AromaticContact CZ-CD2 3.76Å; Y86-L97 HydrophobicContact CD1-CD1 3.94Å; Y86-L97 HydrophobicContact CG-CD1 4.35Å; Y86-L119 HydrophobicContact CD1-CD1 4Å; Y86-L119 HydrophobicContact CE1-CD1 4.15Å; Y86-L119 HydrophobicContact CE1-CG 4.21Å; Y86-V120 VanDerWaalsContact CD1-O 3.27Å; Y86-V120 WeakPolarHBondContact CD1-O 3.33Å; Y86-V120 PolarHBondContact N-O 2.91Å; Y86-N122 PolarHBondContact O-N 2.89Å; Y86-V132 HydrophobicContact CD2-CG2 4.45Å; Y86-V132 HydrophobicContact CE2-CB 3.83Å; Y86-V132 HydrophobicContact CE2-CG1 3.68Å; Y86-V132 HydrophobicContact CE2-CG2 4.24Å; Y86-F148 HydrophobicContact CE1-CE2 4.31Å
87S98.6Very high97.7Very high3 Ų332.5 Ų32.52%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-93.3131.4171.1-165.10000109.5T89 N90 S93 K123S87-T89 PolarHBondContact O-N 2.79Å; S87-T89 VanDerWaalsContact O-N 3.08Å; S87-T89 PolarHBondContact OG-OG1 2.93Å; S87-N90 PolarHBondContact O-N 3.32Å; S87-S93 PolarHBondContact N-OG 3.07Å; S87-K123 VanDerWaalsContact OG-CD 3.3Å; S87-K123 WeakPolarHBondContact OG-CD 3.38Å; S87-K123 WeakPolarHBondContact OG-CE 3.42Å
88I98.8Very high97.8Very high0 Ų031.3 Ų31.30%016%0.159CC..THydrogen-bonded Turntrans-61.9-19.7175.763.6149000112.8Y86 N122 K123 V124 R130 E131 V132Y86-I88 HydrophobicContact CE2-CG2 4.18Å; I88-N122 WeakPolarHBondContact CG1-O 3.42Å; I88-N122 PolarHBondContact N-O 3.08Å; I88-K123 WeakPolarHBondContact CD1-O 3.33Å; I88-K123 WeakPolarHBondContact CG1-O 3.33Å; I88-V124 HydrophobicContact CD1-CB 4.41Å; I88-V124 HydrophobicContact CD1-CG1 4.25Å; I88-V124 HydrophobicContact CG2-CG1 4.32Å; I88-R130 HydrophobicContact CB-CG 4.45Å; I88-R130 HydrophobicContact CD1-CB 4.21Å; I88-R130 HydrophobicContact CD1-CG 4.27Å; I88-E131 PolarHBondContact O-N 2.87Å; I88-V132 PolarHBondContact O-N 3.46Å
89T98.6Very high97.9Very high24 Ų2430.5 Ų30.515%0.14716%0.164CC..THydrogen-bonded Turntrans-95.18.2179.257.80000114.1S87 E126 N129S87-T89 PolarHBondContact O-N 2.79Å; S87-T89 VanDerWaalsContact O-N 3.08Å; S87-T89 PolarHBondContact OG-OG1 2.93Å; T89-E126 HydrophobicContact CG2-CB 3.54Å; T89-E126 WeakPolarHBondContact CG2-O 3.27Å; T89-E126 WeakPolarHBondContact CG2-OE2 3.47Å; T89-E126 PolarHBondContact OG1-OE2 2.97Å; T89-N129 WeakPolarHBondContact CA-O 3.43Å; T89-N129 WeakPolarHBondContact CB-O 3.45Å; T89-N129 HydrophobicContact CG2-CB 3.82Å; T89-N129 WeakPolarHBondContact CG2-O 2.99Å
90N98.2Very high97.8Very high63 Ų6331.4 Ų31.434%0.33717%0.168SC..  trans-144.498.8177.7179.6-18.9000110S87 A92 S93 E131S87-N90 PolarHBondContact O-N 3.32Å; N90-A92 VanDerWaalsContact C-N 3.31Å; N90-A92 PolarHBondContact O-N 2.93Å; N90-A92 WeakPolarHBondContact OD1-CA 3.32Å; N90-A92 WeakPolarHBondContact OD1-CB 3.5Å; N90-A92 PolarHBondContact OD1-N 2.94Å; N90-S93 WeakPolarHBondContact O-CB 3.42Å; N90-S93 PolarHBondContact O-N 2.96Å; N90-S93 PolarHBondContact O-OG 3.14Å; N90-S93 PolarHBondContact OD1-N 2.86Å; N90-E131 WeakPolarHBondContact CA-OE2 3.39Å
91K98.4Very high97.8Very high99 Ų9931.2 Ų31.243%0.4317%0.166SC..Hα-helixtrans-61.4-36.7179-171.9-170.7177.8-53.50112.4S93 F94 D95 E131 V132K91-S93 PolarHBondContact O-N 2.91Å; K91-F94 WeakPolarHBondContact O-CA 3.32Å; K91-F94 WeakPolarHBondContact O-CB 3.41Å; K91-F94 PolarHBondContact O-N 2.88Å; K91-D95 IonicContact NZ-OD1 3.11Å; K91-D95 PolarHBondContact NZ-OD1 3.05Å; K91-D95 IonicContact NZ-OD2 3.66Å; K91-D95 PolarHBondContact NZ-OD2 2.8Å; K91-D95 PolarHBondContact O-N 3.12Å; K91-E131 HydrophobicContact CB-CB 4.08Å; K91-E131 WeakPolarHBondContact CB-OE2 3.32Å; K91-E131 PolarHBondContact N-OE2 2.91Å; K91-V132 HydrophobicContact CB-CG2 4.16Å; K91-V132 HydrophobicContact CG-CG2 4.25Å
92A98.1Very high97.7Very high52 Ų5234.9 Ų34.943%0.4319%0.189SC..Hα-helixtrans-59.6-38.2177.300000111.4N90 F94 D95 E96N90-A92 VanDerWaalsContact C-N 3.31Å; N90-A92 PolarHBondContact O-N 2.93Å; N90-A92 WeakPolarHBondContact OD1-CA 3.32Å; N90-A92 WeakPolarHBondContact OD1-CB 3.5Å; N90-A92 PolarHBondContact OD1-N 2.94Å; A92-F94 PolarHBondContact O-N 2.95Å; A92-D95 PolarHBondContact O-N 2.94Å; A92-E96 WeakPolarHBondContact O-CB 3.17Å; A92-E96 WeakPolarHBondContact O-CG 3.31Å; A92-E96 PolarHBondContact O-N 3.09Å
93S98Very high97.5Very high1 Ų136.6 Ų36.61%0.00720%0.197CC..Hα-helixtrans-64.7-26.4175.678.50000114.1S15 S87 N90 K91S15-S93 WeakPolarHBondContact OG-CA 3.48Å; S87-S93 PolarHBondContact N-OG 3.07Å; N90-S93 WeakPolarHBondContact O-CB 3.42Å; N90-S93 PolarHBondContact O-N 2.96Å; N90-S93 PolarHBondContact O-OG 3.14Å; N90-S93 PolarHBondContact OD1-N 2.86Å; K91-S93 PolarHBondContact O-N 2.91Å
94F98.5Very high97.3Very high26 Ų2636.4 Ų36.411%0.11420%0.196CC..Hα-helixtrans-76.7-44.2173.2177.3-97000111.2Y86 K91 A92 E96 L97 V132 H136 L140Y86-F94 AromaticContact CD1-CD2 3.77Å; Y86-F94 HydrophobicContact CD1-CD2 3.77Å; Y86-F94 HydrophobicContact CD1-CE2 4.46Å; Y86-F94 HydrophobicContact CD2-CB 3.84Å; Y86-F94 AromaticContact CD2-CD2 3.78Å; Y86-F94 HydrophobicContact CD2-CD2 3.78Å; Y86-F94 HydrophobicContact CD2-CG 4.28Å; Y86-F94 AromaticContact CE1-CD2 3.74Å; Y86-F94 HydrophobicContact CE1-CD2 3.74Å; Y86-F94 HydrophobicContact CE1-CE2 4.07Å; Y86-F94 HydrophobicContact CE2-CB 4.46Å; Y86-F94 AromaticContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CG-CB 4.05Å; Y86-F94 AromaticContact CG-CD2 3.78Å; Y86-F94 HydrophobicContact CG-CD2 3.78Å; Y86-F94 HydrophobicContact CG-CG 4.43Å; Y86-F94 AromaticContact CZ-CD2 3.76Å; K91-F94 WeakPolarHBondContact O-CA 3.32Å; K91-F94 WeakPolarHBondContact O-CB 3.41Å; K91-F94 PolarHBondContact O-N 2.88Å; A92-F94 PolarHBondContact O-N 2.95Å; F94-E96 VanDerWaalsContact C-N 3.31Å; F94-E96 PolarHBondContact O-N 3.32Å; F94-L97 WeakPolarHBondContact O-CB 3.42Å; F94-L97 PolarHBondContact O-N 2.79Å; F94-V132 HydrophobicContact CB-CG2 3.91Å; F94-V132 HydrophobicContact CD1-CG1 4.46Å; F94-V132 HydrophobicContact CD2-CG1 3.95Å; F94-V132 HydrophobicContact CE2-CG1 4.14Å; F94-V132 HydrophobicContact CG-CG1 4.1Å; F94-V132 HydrophobicContact CG-CG2 4.22Å; F94-V132 HydrophobicContact CZ-CG1 4.46Å; F94-H136 HydrophobicContact CZ-CB 4.23Å; F94-L140 HydrophobicContact CD2-CD2 4.32Å; F94-L140 HydrophobicContact CE1-CD2 4.1Å; F94-L140 HydrophobicContact CE2-CB 4.29Å; F94-L140 HydrophobicContact CE2-CD2 3.55Å; F94-L140 HydrophobicContact CZ-CB 3.85Å; F94-L140 HydrophobicContact CZ-CD2 3.44Å; F94-L140 VanDerWaalsContact CZ-CD2 3.44Å; F94-L140 HydrophobicContact CZ-CG 4.24Å
95D97.9Very high97.3Very high78 Ų7837.9 Ų37.942%0.41721%0.208SC..Hα-helixtrans-64.2-36.2179-62.1-25000111.5K91 A92 L97 Q98K91-D95 IonicContact NZ-OD1 3.11Å; K91-D95 PolarHBondContact NZ-OD1 3.05Å; K91-D95 IonicContact NZ-OD2 3.66Å; K91-D95 PolarHBondContact NZ-OD2 2.8Å; K91-D95 PolarHBondContact O-N 3.12Å; A92-D95 PolarHBondContact O-N 2.94Å; D95-L97 PolarHBondContact O-N 2.83Å; D95-L97 VanDerWaalsContact O-N 3.17Å; D95-Q98 PolarHBondContact O-N 3.27Å
96E96.3Very high97.2Very high94 Ų9442.8 Ų42.844%0.43923%0.234SC..THydrogen-bonded Turntrans-63.9-14.7175.6-79.1-179-161.700114.3S15 A92 F94 Q98 P99S15-E96 VanDerWaalsContact CB-OE2 3.24Å; S15-E96 WeakPolarHBondContact CB-OE2 3.28Å; S15-E96 PolarHBondContact OG-OE2 3.27Å; A92-E96 WeakPolarHBondContact O-CB 3.17Å; A92-E96 WeakPolarHBondContact O-CG 3.31Å; A92-E96 PolarHBondContact O-N 3.09Å; F94-E96 VanDerWaalsContact C-N 3.31Å; F94-E96 PolarHBondContact O-N 3.32Å; E96-Q98 VanDerWaalsContact C-N 3.33Å; E96-P99 WeakPolarHBondContact O-CD 3.21Å; E96-P99 VanDerWaalsContact O-CG 3.3Å; E96-P99 WeakPolarHBondContact O-CG 3.47Å
97L97.3Very high97Very high2 Ų244 Ų441%0.0124%0.24CC..Hα-helixtrans-73.2-25.2176.4-64-177.4000112.9L84 Y86 F94 D95 L100 Y101 L119 W144L84-L97 HydrophobicContact CB-CD1 4.39Å; L84-L97 HydrophobicContact CB-CD2 4.29Å; Y86-L97 HydrophobicContact CD1-CD1 3.94Å; Y86-L97 HydrophobicContact CG-CD1 4.35Å; F94-L97 WeakPolarHBondContact O-CB 3.42Å; F94-L97 PolarHBondContact O-N 2.79Å; D95-L97 PolarHBondContact O-N 2.83Å; D95-L97 VanDerWaalsContact O-N 3.17Å; L97-L100 PolarHBondContact O-N 3.05Å; L97-Y101 WeakPolarHBondContact O-CB 3.24Å; L97-Y101 PolarHBondContact O-N 3.41Å; L97-L119 HydrophobicContact CD1-CD1 3.36Å; L97-W144 HydrophobicContact CB-CH2 3.71Å; L97-W144 HydrophobicContact CB-CZ3 4.26Å; L97-W144 WeakPolarHBondContact O-CH2 3.38Å
98Q97.5Very high96.9Very high69 Ų6944.6 Ų44.632%0.32224%0.242SC..Hα-helixtrans-62.7-51.4179.4-179.961.864.500113.3D95 E96 L100 Y101 T102 W144D95-Q98 PolarHBondContact O-N 3.27Å; E96-Q98 VanDerWaalsContact C-N 3.33Å; Q98-L100 VanDerWaalsContact C-N 3.28Å; Q98-L100 PolarHBondContact O-N 3.01Å; Q98-Y101 PolarHBondContact O-N 2.97Å; Q98-T102 PolarHBondContact NE2-OG1 3.26Å; Q98-T102 PolarHBondContact O-N 3.06Å; Q98-T102 PolarHBondContact O-OG1 3.34Å; Q98-W144 HydrophobicContact CB-CZ2 4.41Å
99P95Very high96.8Very high85 Ų8550.6 Ų50.655%0.55227%0.272SS*.Hα-helixtrans-62.1-35.6175.422.4-32.8000112.4E96 T102 E103E96-P99 WeakPolarHBondContact O-CD 3.21Å; E96-P99 VanDerWaalsContact O-CG 3.3Å; E96-P99 WeakPolarHBondContact O-CG 3.47Å; P99-T102 WeakPolarHBondContact O-CB 3.16Å; P99-T102 PolarHBondContact O-N 3.44Å; P99-E103 PolarHBondContact O-N 2.82Å
100L94.4Very high96.6Very high24 Ų2458 Ų5813%0.12631%0.305CS..Hα-helixtrans-63.5-45.5175.3-174.4109.8000112Y13 L84 L97 Q98 T102 E103 L104Y13-L100 HydrophobicContact CD1-CD1 3.84Å; Y13-L100 HydrophobicContact CG-CD1 3.97Å; Y13-L100 HydrophobicContact CG-CD2 4.14Å; L84-L100 HydrophobicContact CD1-CD2 4.35Å; L84-L100 HydrophobicContact CD2-CD2 3.34Å; L84-L100 HydrophobicContact CG-CD2 4.37Å; L97-L100 PolarHBondContact O-N 3.05Å; Q98-L100 VanDerWaalsContact C-N 3.28Å; Q98-L100 PolarHBondContact O-N 3.01Å; L100-T102 VanDerWaalsContact C-N 3.32Å; L100-T102 PolarHBondContact O-N 2.98Å; L100-E103 PolarHBondContact O-N 2.82Å; L100-L104 HydrophobicContact CD2-CD1 4.43Å; L100-L104 WeakPolarHBondContact O-CG 3.41Å; L100-L104 PolarHBondContact O-N 2.92Å
101Y96.9Very high96.5Very high31 Ų3160.1 Ų60.112%0.12231%0.313CS..Hα-helixtrans-64.3-37.7176-175.3-89.1000111.9L84 L97 Q98 E103 L104 A105 L112 I117 W144L84-Y101 HydrophobicContact CD1-CD2 4.12Å; L97-Y101 WeakPolarHBondContact O-CB 3.24Å; L97-Y101 PolarHBondContact O-N 3.41Å; Q98-Y101 PolarHBondContact O-N 2.97Å; Y101-E103 VanDerWaalsContact C-N 3.34Å; Y101-E103 PolarHBondContact O-N 2.8Å; Y101-L104 WeakPolarHBondContact O-CB 3.35Å; Y101-L104 PolarHBondContact O-N 3.47Å; Y101-A105 WeakPolarHBondContact O-CB 3.46Å; Y101-A105 PolarHBondContact O-N 2.83Å; Y101-L112 HydrophobicContact CE1-CD2 4.37Å; Y101-I117 HydrophobicContact CE2-CD1 4Å; Y101-W144 AromaticContact CD1-CD1 3.82Å; Y101-W144 HydrophobicContact CD1-CD2 4.01Å; Y101-W144 AromaticContact CD1-CE2 3.78Å; Y101-W144 HydrophobicContact CD1-CG 4.06Å; Y101-W144 HydrophobicContact CD1-CZ2 4.35Å; Y101-W144 AromaticContact CD1-NE1 3.66Å; Y101-W144 HydrophobicContact CD2-CB 4.36Å; Y101-W144 AromaticContact CD2-CD2 3.55Å; Y101-W144 HydrophobicContact CD2-CD2 3.55Å; Y101-W144 AromaticContact CD2-CE3 3.58Å; Y101-W144 HydrophobicContact CD2-CE3 3.58Å; Y101-W144 AromaticContact CD2-CG 3.93Å; Y101-W144 HydrophobicContact CD2-CG 3.93Å; Y101-W144 HydrophobicContact CD2-CZ2 4.5Å; Y101-W144 HydrophobicContact CD2-CZ3 4.07Å; Y101-W144 HydrophobicContact CE1-CB 4.31Å; Y101-W144 AromaticContact CE1-CD1 3.59Å; Y101-W144 HydrophobicContact CE1-CD2 4.25Å; Y101-W144 AromaticContact CE1-CG 3.82Å; Y101-W144 HydrophobicContact CE1-CG 3.82Å; Y101-W144 AromaticContact CE1-NE1 3.93Å; Y101-W144 HydrophobicContact CE2-CB 3.67Å; Y101-W144 AromaticContact CE2-CD2 3.81Å; Y101-W144 HydrophobicContact CE2-CD2 3.81Å; Y101-W144 HydrophobicContact CE2-CE3 4.04Å; Y101-W144 AromaticContact CE2-CG 3.67Å; Y101-W144 HydrophobicContact CE2-CG 3.67Å; Y101-W144 AromaticContact CG-CD2 3.66Å; Y101-W144 HydrophobicContact CG-CD2 3.66Å; Y101-W144 AromaticContact CG-CE2 3.61Å; Y101-W144 AromaticContact CG-CE3 3.98Å; Y101-W144 HydrophobicContact CG-CE3 3.98Å; Y101-W144 HydrophobicContact CG-CG 4.11Å; Y101-W144 HydrophobicContact CG-CH2 4.21Å; Y101-W144 AromaticContact CG-CZ2 3.92Å; Y101-W144 HydrophobicContact CG-CZ2 3.92Å; Y101-W144 HydrophobicContact CG-CZ3 4.24Å; Y101-W144 AromaticContact CG-NE1 3.99Å; Y101-W144 AromaticContact CZ-CD1 3.84Å; Y101-W144 AromaticContact CZ-CG 3.6Å; Y101-W144 PolarHBondContact OH-O 2.8Å; Y101-W144 VanDerWaalsContact OH-O 3.07Å
102T96.1Very high96.4Very high78 Ų7856.4 Ų56.448%0.47930%0.298SS..Hα-helixtrans-60-43.8173.5-60.20000111.4Q98 P99 L100 A105 L106Q98-T102 PolarHBondContact NE2-OG1 3.26Å; Q98-T102 PolarHBondContact O-N 3.06Å; Q98-T102 PolarHBondContact O-OG1 3.34Å; P99-T102 WeakPolarHBondContact O-CB 3.16Å; P99-T102 PolarHBondContact O-N 3.44Å; L100-T102 VanDerWaalsContact C-N 3.32Å; L100-T102 PolarHBondContact O-N 2.98Å; T102-A105 PolarHBondContact O-N 2.85Å; T102-L106 PolarHBondContact O-N 2.97Å
103E94.1Very high96.2Very high36 Ų3658.7 Ų58.717%0.16831%0.308CS..Hα-helixtrans-65.2-41176.4-17367.1-171.400111.5R73 I76 P99 L100 Y101 A105 L106 I107R73-E103 WeakPolarHBondContact CG-OE1 3.47Å; R73-E103 IonicContact CZ-OE1 3.34Å; R73-E103 IonicContact NE-OE1 2.73Å; R73-E103 PolarHBondContact NE-OE1 2.72Å; R73-E103 IonicContact NH2-OE1 3.08Å; R73-E103 PolarHBondContact NH2-OE1 3.26Å; R73-E103 VanDerWaalsContact NH2-OE1 3.08Å; R73-E103 IonicContact NH2-OE2 3.78Å; I76-E103 HydrophobicContact CD1-CG 4.27Å; P99-E103 PolarHBondContact O-N 2.82Å; L100-E103 PolarHBondContact O-N 2.82Å; Y101-E103 VanDerWaalsContact C-N 3.34Å; Y101-E103 PolarHBondContact O-N 2.8Å; E103-A105 VanDerWaalsContact C-N 3.32Å; E103-A105 PolarHBondContact O-N 3.5Å; E103-L106 PolarHBondContact O-N 3.19Å; E103-I107 HydrophobicContact CG-CD1 3.78Å; E103-I107 WeakPolarHBondContact O-CD1 3.38Å; E103-I107 VanDerWaalsContact O-CG1 3.31Å; E103-I107 WeakPolarHBondContact O-CG1 3.5Å; E103-I107 PolarHBondContact O-N 2.98Å
104L95.8Very high96.1Very high0 Ų065.3 Ų65.30%034%0.337CS..Hα-helixtrans-57.2-45.9172.2-72175.9000111.7I76 F82 L84 L100 Y101 L106 I107 K108 L112I76-L104 HydrophobicContact CB-CD2 4.2Å; I76-L104 HydrophobicContact CD1-CD2 3.74Å; I76-L104 HydrophobicContact CD1-CG 4.46Å; I76-L104 HydrophobicContact CG1-CD2 3.62Å; I76-L104 HydrophobicContact CG2-CD2 3.57Å; F82-L104 HydrophobicContact CD1-CD1 4.47Å; F82-L104 HydrophobicContact CD1-CD2 3.78Å; F82-L104 HydrophobicContact CD2-CD2 4.21Å; F82-L104 HydrophobicContact CE1-CD2 3.5Å; F82-L104 VanDerWaalsContact CE1-CD2 3.5Å; F82-L104 HydrophobicContact CE2-CD2 3.95Å; F82-L104 HydrophobicContact CG-CD1 4.25Å; F82-L104 HydrophobicContact CG-CD2 4.13Å; F82-L104 HydrophobicContact CZ-CD2 3.6Å; L84-L104 HydrophobicContact CD1-CD1 4.28Å; L84-L104 HydrophobicContact CD2-CD1 3.99Å; L100-L104 HydrophobicContact CD2-CD1 4.43Å; L100-L104 WeakPolarHBondContact O-CG 3.41Å; L100-L104 PolarHBondContact O-N 2.92Å; Y101-L104 WeakPolarHBondContact O-CB 3.35Å; Y101-L104 PolarHBondContact O-N 3.47Å; L104-L106 VanDerWaalsContact C-N 3.35Å; L104-I107 PolarHBondContact O-N 3.49Å; L104-K108 WeakPolarHBondContact O-CB 3.39Å; L104-K108 PolarHBondContact O-N 3.45Å; L104-L112 HydrophobicContact CB-CD1 4.3Å
105A96.7Very high96Very high30 Ų3064.2 Ų64.225%0.24833%0.332CS..Hα-helixtrans-63.9-40.217900000112.1Y101 T102 E103 M109 L112Y101-A105 WeakPolarHBondContact O-CB 3.46Å; Y101-A105 PolarHBondContact O-N 2.83Å; T102-A105 PolarHBondContact O-N 2.85Å; E103-A105 VanDerWaalsContact C-N 3.32Å; E103-A105 PolarHBondContact O-N 3.5Å; A105-M109 WeakPolarHBondContact O-CA 3.41Å; A105-M109 PolarHBondContact O-N 3.33Å; A105-L112 HydrophobicContact CB-CD2 3.65Å
106L96.4Very high96Very high103 Ų10360.6 Ų60.654%0.53931%0.312SS..Hα-helixtrans-63.5-41.7176.5-176.964.9000112.1T102 E103 L104 M109T102-L106 PolarHBondContact O-N 2.97Å; E103-L106 PolarHBondContact O-N 3.19Å; L104-L106 VanDerWaalsContact C-N 3.35Å; L106-M109 VanDerWaalsContact O-CG 3.23Å; L106-M109 WeakPolarHBondContact O-CG 3.07Å
107I96.2Very high96.1Very high25 Ų2556.3 Ų56.313%0.12829%0.293CS..Hα-helixtrans-78.6-42.1-176.8-64.3160000111.8R73 I76 N77 E103 L104R73-I107 HydrophobicContact CB-CD1 4.27Å; R73-I107 HydrophobicContact CG-CD1 3.79Å; R73-I107 HydrophobicContact CG-CG1 4.43Å; I76-I107 HydrophobicContact CB-CD1 3.88Å; I76-I107 HydrophobicContact CB-CG2 4.38Å; I76-I107 HydrophobicContact CD1-CD1 3.51Å; I76-I107 HydrophobicContact CG1-CD1 4.28Å; I76-I107 HydrophobicContact CG2-CB 3.83Å; I76-I107 HydrophobicContact CG2-CD1 3.69Å; I76-I107 HydrophobicContact CG2-CG1 4.41Å; I76-I107 HydrophobicContact CG2-CG2 3.61Å; N77-I107 VanDerWaalsContact OD1-CG2 3.24Å; N77-I107 WeakPolarHBondContact OD1-CG2 3.47Å; E103-I107 HydrophobicContact CG-CD1 3.78Å; E103-I107 WeakPolarHBondContact O-CD1 3.38Å; E103-I107 VanDerWaalsContact O-CG1 3.31Å; E103-I107 WeakPolarHBondContact O-CG1 3.5Å; E103-I107 PolarHBondContact O-N 2.98Å; L104-I107 PolarHBondContact O-N 3.49Å
108K96.5Very high96.2Very high16 Ų1656.2 Ų56.27%0.0729%0.292CS..Hα-helixtrans-86-18.1-176.1-65.1-59.4-163.2172.60113.5I76 N77 A79 F82 L104 E110 E111 L112 I115I76-K108 HydrophobicContact CG2-CG 4.36Å; I76-K108 WeakPolarHBondContact O-CE 3.43Å; I76-K108 PolarHBondContact O-NZ 3.07Å; N77-K108 PolarHBondContact O-NZ 3.11Å; N77-K108 VanDerWaalsContact O-NZ 3.07Å; A79-K108 PolarHBondContact O-NZ 2.86Å; F82-K108 HydrophobicContact CE2-CG 4.36Å; L104-K108 WeakPolarHBondContact O-CB 3.39Å; L104-K108 PolarHBondContact O-N 3.45Å; K108-E110 PolarHBondContact O-N 3.41Å; K108-E111 VanDerWaalsContact O-CB 3.32Å; K108-E111 WeakPolarHBondContact O-CB 3.41Å; K108-E111 PolarHBondContact O-N 3.39Å; K108-L112 HydrophobicContact CB-CB 4.12Å; K108-L112 HydrophobicContact CB-CD1 4.07Å; K108-I115 HydrophobicContact CB-CD1 3.83Å; K108-I115 HydrophobicContact CD-CD1 3.48Å; K108-I115 VanDerWaalsContact CD-CD1 3.48Å; K108-I115 HydrophobicContact CG-CD1 3.55Å
109M95.9Very high96.2Very high126 Ų12653 Ų5362%0.62128%0.277SS*.G310 helixtrans46.5-125175-57.5-177.3-72.400111.7A105 L106 E111 L112A105-M109 WeakPolarHBondContact O-CA 3.41Å; A105-M109 PolarHBondContact O-N 3.33Å; L106-M109 VanDerWaalsContact O-CG 3.23Å; L106-M109 WeakPolarHBondContact O-CG 3.07Å; M109-E111 PolarHBondContact O-N 2.88Å; M109-E111 VanDerWaalsContact O-N 3.17Å; M109-L112 WeakPolarHBondContact O-CB 3.26Å; M109-L112 PolarHBondContact O-N 3Å; M109-L112 VanDerWaalsContact O-N 3.15Å
110E95.4Very high96.4Very high179 Ų17948.9 Ų48.984%0.83625%0.25SS*.G310 helixtrans-64.5-16.3-179-59.3-179.4-175.900114.3K108 P113K108-E110 PolarHBondContact O-N 3.41Å; E110-P113 WeakPolarHBondContact O-CD 3.3Å
111E94.6Very high96.6Very high108 Ų10847.8 Ų47.851%0.50524%0.244SC..G310 helixtrans-79.7-23.4176.1-58.8-167160.900112.9K108 M109 P113 K114 I115K108-E111 VanDerWaalsContact O-CB 3.32Å; K108-E111 WeakPolarHBondContact O-CB 3.41Å; K108-E111 PolarHBondContact O-N 3.39Å; M109-E111 PolarHBondContact O-N 2.88Å; M109-E111 VanDerWaalsContact O-N 3.17Å; E111-P113 VanDerWaalsContact C-CD 3.41Å; E111-P113 VanDerWaalsContact C-N 3.33Å; E111-K114 WeakPolarHBondContact O-CA 3.37Å; E111-K114 WeakPolarHBondContact O-CB 3.39Å; E111-K114 PolarHBondContact O-N 2.98Å; E111-I115 HydrophobicContact CB-CD1 4.06Å; E111-I115 WeakPolarHBondContact O-CG1 3.38Å; E111-I115 PolarHBondContact O-N 3.15Å
112L96.2Very high96.7Very high22 Ų2246.4 Ų46.412%0.11524%0.239CC..G310 helixtrans-49.5-45.4-173.8-17180.1000113.2Y101 L104 A105 K108 M109 K114 I115 I117Y101-L112 HydrophobicContact CE1-CD2 4.37Å; L104-L112 HydrophobicContact CB-CD1 4.3Å; A105-L112 HydrophobicContact CB-CD2 3.65Å; K108-L112 HydrophobicContact CB-CB 4.12Å; K108-L112 HydrophobicContact CB-CD1 4.07Å; M109-L112 WeakPolarHBondContact O-CB 3.26Å; M109-L112 PolarHBondContact O-N 3Å; M109-L112 VanDerWaalsContact O-N 3.15Å; L112-K114 PolarHBondContact O-N 2.93Å; L112-K114 VanDerWaalsContact O-N 3.13Å; L112-I115 PolarHBondContact O-N 3.17Å; L112-I115 VanDerWaalsContact O-N 3.11Å; L112-I117 HydrophobicContact CD1-CD1 3.96Å
113P95Very high96.8Very high99 Ų9945.1 Ų45.164%0.64323%0.227SC*.G310 helixtrans-65.4-16.9-179.8-2134.9000114.7E110 E111E110-P113 WeakPolarHBondContact O-CD 3.3Å; E111-P113 VanDerWaalsContact C-CD 3.41Å; E111-P113 VanDerWaalsContact C-N 3.33Å
114K94.5Very high97Very high141 Ų14144.6 Ų44.661%0.61323%0.226SC*.G310 helixtrans-95-11.8179-58.7175.3-175.1168.40112.4E111 L112E111-K114 WeakPolarHBondContact O-CA 3.37Å; E111-K114 WeakPolarHBondContact O-CB 3.39Å; E111-K114 PolarHBondContact O-N 2.98Å; L112-K114 PolarHBondContact O-N 2.93Å; L112-K114 VanDerWaalsContact O-N 3.13Å
115I97Very high97.2Very high3 Ų347.6 Ų47.62%0.01524%0.242CC..SBendtrans-88127.6-175.3-69.8170.3000109.5F82 K108 E111 L112 I117F82-I115 HydrophobicContact CD2-CG2 3.64Å; F82-I115 HydrophobicContact CE2-CG2 3.76Å; K108-I115 HydrophobicContact CB-CD1 3.83Å; K108-I115 HydrophobicContact CD-CD1 3.48Å; K108-I115 VanDerWaalsContact CD-CD1 3.48Å; K108-I115 HydrophobicContact CG-CD1 3.55Å; E111-I115 HydrophobicContact CB-CD1 4.06Å; E111-I115 WeakPolarHBondContact O-CG1 3.38Å; E111-I115 PolarHBondContact O-N 3.15Å; L112-I115 PolarHBondContact O-N 3.17Å; L112-I115 VanDerWaalsContact O-N 3.11Å; I115-I117 HydrophobicContact CG2-CG1 4.26Å; I115-I117 PolarHBondContact O-N 3.26Å
116P98.1Very high97.2Very high1 Ų149.5 Ų49.51%0.00625%0.246CC..  trans-62.8125.6172-2536.7000111.7A81 F82 L166 M169 E170A81-P116 CarbonylContact C-O 3.6Å; A81-P116 VanDerWaalsContact CA-O 3.28Å; A81-P116 WeakPolarHBondContact CA-O 3.31Å; A81-P116 HydrophobicContact CB-CB 3.9Å; A81-P116 HydrophobicContact CB-CG 4.31Å; A81-P116 WeakPolarHBondContact CB-O 3.41Å; F82-P116 PolarHBondContact N-O 2.82Å; P116-L166 HydrophobicContact CB-CD1 3.79Å; P116-L166 HydrophobicContact CB-CG 4.25Å; P116-M169 HydrophobicContact CB-CB 3.88Å; P116-M169 HydrophobicContact CB-CE 4Å; P116-M169 HydrophobicContact CG-CB 4.2Å; P116-E170 HydrophobicContact CG-CB 4.01Å
117I98.5Very high97.2Very high5 Ų548.7 Ų48.73%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-129.6128.9175.1-57.6176.8000108.5F82 L84 Y101 L112 I115 C146 G147 M169F82-I117 HydrophobicContact CB-CG1 4.32Å; F82-I117 HydrophobicContact CD2-CG1 4.26Å; F82-I117 CarbonylContact O-C 3.58Å; F82-I117 WeakPolarHBondContact O-CA 3.4Å; L84-I117 HydrophobicContact CD1-CG2 4.03Å; L84-I117 HydrophobicContact CG-CG2 4.08Å; Y101-I117 HydrophobicContact CE2-CD1 4Å; L112-I117 HydrophobicContact CD1-CD1 3.96Å; I115-I117 HydrophobicContact CG2-CG1 4.26Å; I115-I117 PolarHBondContact O-N 3.26Å; I117-C146 HydrophobicContact CB-CB 3.82Å; I117-C146 HydrophobicContact CG2-CB 3.91Å; I117-C146 WeakPolarHBondContact O-CB 3.33Å; I117-G147 PolarHBondContact O-N 3.18Å; I117-M169 WeakPolarHBondContact O-CE 3.46Å
118M98.6Very high97.3Very high0 Ų055.1 Ų55.10%028%0.277CS..EExtended strand (participates in β ladder)trans-113.7119.6172.3-73.6-65.5-69.200110.3F82 I83 L84 V120 M149 E165 L166 M169 F187F82-M118 PolarHBondContact O-N 2.73Å; I83-M118 CarbonylContact C-O 3.57Å; I83-M118 WeakPolarHBondContact CA-O 3.38Å; I83-M118 HydrophobicContact CG1-CB 4.47Å; L84-M118 PolarHBondContact N-O 3.46Å; M118-V120 HydrophobicContact CB-CG2 4.37Å; M118-M149 HydrophobicContact CE-CB 4.09Å; M118-M149 HydrophobicContact CE-CE 4.45Å; M118-E165 HydrophobicContact CE-CB 4.26Å; M118-E165 HydrophobicContact SD-CB 4.44Å; M118-L166 HydrophobicContact CB-CD1 4.04Å; M118-L166 HydrophobicContact CG-CB 3.85Å; M118-L166 HydrophobicContact CG-CD1 3.47Å; M118-L166 VanDerWaalsContact CG-CD1 3.47Å; M118-L166 HydrophobicContact CG-CG 4.26Å; M118-M169 HydrophobicContact SD-CE 4.47Å; M118-M169 HydrophobicContact SD-SD 3.71Å; M118-F187 HydrophobicContact CE-CE2 3.91Å; M118-F187 HydrophobicContact CE-CZ 4.06Å; M118-F187 HydrophobicContact SD-CE2 4.41Å; M118-F187 HydrophobicContact SD-CZ 3.95Å
119L98.8Very high97.4Very high0 Ų059.6 Ų59.60%030%0.302CS..EExtended strand (participates in β ladder)trans-83.2127.5165.6-179.765000109.3L84 Y86 L97 G137 L140 A141 W144 G147 F148 M149L84-L119 HydrophobicContact CB-CD1 4.27Å; L84-L119 CarbonylContact O-C 3.52Å; L84-L119 WeakPolarHBondContact O-CA 3.38Å; Y86-L119 HydrophobicContact CD1-CD1 4Å; Y86-L119 HydrophobicContact CE1-CD1 4.15Å; Y86-L119 HydrophobicContact CE1-CG 4.21Å; L97-L119 HydrophobicContact CD1-CD1 3.36Å; L119-G137 WeakPolarHBondContact CD2-O 3.1Å; L119-L140 HydrophobicContact CD2-CB 4.05Å; L119-L140 HydrophobicContact CD2-CD2 4.06Å; L119-L140 HydrophobicContact CD2-CG 4.2Å; L119-A141 HydrophobicContact CB-CB 4.5Å; L119-A141 HydrophobicContact CD2-CB 4.14Å; L119-W144 HydrophobicContact CD1-CZ3 4.29Å; L119-G147 PolarHBondContact N-O 3.17Å; L119-F148 HydrophobicContact CB-CD2 4.21Å; L119-F148 HydrophobicContact CD2-CD2 4Å; L119-F148 HydrophobicContact CD2-CE2 4.49Å; L119-F148 HydrophobicContact CG-CD2 3.99Å; L119-F148 HydrophobicContact CG-CE2 4.49Å; L119-F148 WeakPolarHBondContact O-CA 3.49Å; L119-M149 PolarHBondContact O-N 3.43Å; L119-M149 VanDerWaalsContact O-N 3.08Å
120V98.9Very high97.5Very high0 Ų056.4 Ų56.40%028%0.283CS..EExtended strand (participates in β ladder)trans-126114.5-173178.90000110.7L23 I83 L84 V85 Y86 M118 N122 M149 T151 V162L23-V120 HydrophobicContact CD1-CG1 4.11Å; I83-V120 HydrophobicContact CG2-CB 4.38Å; I83-V120 HydrophobicContact CG2-CG2 3.64Å; L84-V120 PolarHBondContact O-N 2.89Å; V85-V120 WeakPolarHBondContact CA-O 3.26Å; V85-V120 HydrophobicContact CG1-CG1 4.47Å; V85-V120 HydrophobicContact CG2-CB 4.34Å; Y86-V120 VanDerWaalsContact CD1-O 3.27Å; Y86-V120 WeakPolarHBondContact CD1-O 3.33Å; Y86-V120 PolarHBondContact N-O 2.91Å; M118-V120 HydrophobicContact CB-CG2 4.37Å; V120-N122 HydrophobicContact CG1-CB 4.49Å; V120-N122 PolarHBondContact O-N 3.36Å; V120-M149 VanDerWaalsContact CA-O 3.31Å; V120-M149 WeakPolarHBondContact CA-O 3.47Å; V120-T151 HydrophobicContact CG1-CG2 3.74Å; V120-T151 WeakPolarHBondContact CG1-OG1 3.31Å; V120-V162 HydrophobicContact CG2-CG1 3.89Å; V120-V162 HydrophobicContact CG2-CG2 3.91Å
121G98.9Very high97.6Very high0 Ų053.4 Ų53.40%027%0.269CS..EExtended strand (participates in β ladder)trans-8898.1168.200000110.2M149 E150 T151G121-M149 PolarHBondContact N-O 3.3Å; G121-E150 CarbonylContact O-C 3.56Å; G121-E150 WeakPolarHBondContact O-CA 3.42Å; G121-E150 WeakPolarHBondContact O-CB 3.46Å; G121-T151 PolarHBondContact O-N 3.25Å
122N98.9Very high97.8Very high3 Ų348.5 Ų48.52%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-90166.9-175.8-170.534.8000112.1V18 L23 V85 Y86 I88 V120 T151 A153V18-N122 PolarHBondContact O-ND2 3.09Å; L23-N122 HydrophobicContact CD1-CB 4.21Å; V85-N122 HydrophobicContact CG1-CB 3.88Å; Y86-N122 PolarHBondContact O-N 2.89Å; I88-N122 WeakPolarHBondContact CG1-O 3.42Å; I88-N122 PolarHBondContact N-O 3.08Å; V120-N122 HydrophobicContact CG1-CB 4.49Å; V120-N122 PolarHBondContact O-N 3.36Å; N122-T151 CarbonylContact C-O 3.6Å; N122-T151 WeakPolarHBondContact CA-O 3.41Å; N122-T151 WeakPolarHBondContact CA-OG1 3.42Å; N122-T151 PolarHBondContact OD1-O 3.39Å; N122-T151 PolarHBondContact OD1-OG1 3.43Å; N122-T151 VanDerWaalsContact OD1-OG1 3.12Å; N122-A153 PolarHBondContact OD1-N 3.35Å
123K98.5Very high97.9Very high50 Ų5049.4 Ų49.422%0.21725%0.254CS..  trans70.637.5179.2-44.7-163.2-165.1179.20114.9G17 S87 I88 D125 E126 T151G17-K123 WeakPolarHBondContact O-CE 3.23Å; G17-K123 PolarHBondContact O-NZ 3.24Å; S87-K123 VanDerWaalsContact OG-CD 3.3Å; S87-K123 WeakPolarHBondContact OG-CD 3.38Å; S87-K123 WeakPolarHBondContact OG-CE 3.42Å; I88-K123 WeakPolarHBondContact CD1-O 3.33Å; I88-K123 WeakPolarHBondContact CG1-O 3.33Å; K123-D125 WeakPolarHBondContact CA-OD1 3.38Å; K123-D125 PolarHBondContact O-N 3.14Å; K123-D125 VanDerWaalsContact O-N 3.1Å; K123-E126 HydrophobicContact CB-CG 4.46Å; K123-E126 PolarHBondContact O-N 3.5Å; K123-T151 PolarHBondContact N-O 3.27Å
124V98.5Very high98.1Very high25 Ų2547 Ų4715%0.15224%0.238CC..G310 helixtrans-64-11.8174.3-60.50000114.6I88 E126 N127 E150 T151 L157I88-V124 HydrophobicContact CD1-CB 4.41Å; I88-V124 HydrophobicContact CD1-CG1 4.25Å; I88-V124 HydrophobicContact CG2-CG1 4.32Å; V124-E126 PolarHBondContact O-N 2.87Å; V124-N127 PolarHBondContact O-N 2.78Å; V124-E150 HydrophobicContact CG1-CB 3.53Å; V124-E150 HydrophobicContact CG1-CG 4.3Å; V124-T151 WeakPolarHBondContact CG2-O 3.48Å; V124-T151 PolarHBondContact N-O 2.9Å; V124-T151 VanDerWaalsContact N-O 3.14Å; V124-L157 HydrophobicContact CG2-CD2 3.66Å
125D98.3Very high98.3Very high63 Ų6343.4 Ų43.434%0.33724%0.236SC..G310 helixtrans-66.3-17.2167.454.2-69.4000113.4K123 S152 K154K123-D125 WeakPolarHBondContact CA-OD1 3.38Å; K123-D125 PolarHBondContact O-N 3.14Å; K123-D125 VanDerWaalsContact O-N 3.1Å; D125-S152 WeakPolarHBondContact OD1-CB 3.49Å; D125-S152 PolarHBondContact OD1-OG 3.47Å; D125-K154 WeakPolarHBondContact OD2-CB 3.41Å; D125-K154 WeakPolarHBondContact OD2-CD 3.31Å
126E97.6Very high98.3Very high70 Ų7048.7 Ų48.733%0.32726%0.26SS..G310 helixtrans-102.135.8176.2-59.4175.1-164.600111.8T89 K123 V124 D128 N129T89-E126 HydrophobicContact CG2-CB 3.54Å; T89-E126 WeakPolarHBondContact CG2-O 3.27Å; T89-E126 WeakPolarHBondContact CG2-OE2 3.47Å; T89-E126 PolarHBondContact OG1-OE2 2.97Å; K123-E126 HydrophobicContact CB-CG 4.46Å; K123-E126 PolarHBondContact O-N 3.5Å; V124-E126 PolarHBondContact O-N 2.87Å; E126-D128 PolarHBondContact O-N 2.93Å; E126-D128 VanDerWaalsContact O-N 3.09Å; E126-N129 PolarHBondContact O-N 2.54Å
127N96.9Very high98.3Very high86 Ų8648.7 Ų48.746%0.4626%0.26SS..G310 helixtrans-59.6-25.7-170.7-16870.4000114.6V124 N129 R130V124-N127 PolarHBondContact O-N 2.78Å; N127-N129 PolarHBondContact O-N 2.81Å; N127-R130 WeakPolarHBondContact O-CB 3.24Å; N127-R130 PolarHBondContact O-N 3.39Å; N127-R130 PolarHBondContact OD1-NE 3.1Å; N127-R130 PolarHBondContact OD1-NH2 3.33Å; N127-R130 VanDerWaalsContact OD1-NH2 3.14Å
128D97.9Very high98.3Very high160 Ų16053.6 Ų53.686%0.85628%0.281SS*.G310 helixtrans-66.5-23.8177.1-62.2-25.9000112.7E126E126-D128 PolarHBondContact O-N 2.93Å; E126-D128 VanDerWaalsContact O-N 3.09Å
129N97.8Very high98.3Very high111 Ų11156 Ų5659%0.59430%0.301SS*.G310 helixtrans-102.720.2178-59.9-45.6000112.1T89 E126 N127 E131T89-N129 WeakPolarHBondContact CA-O 3.43Å; T89-N129 WeakPolarHBondContact CB-O 3.45Å; T89-N129 HydrophobicContact CG2-CB 3.82Å; T89-N129 WeakPolarHBondContact CG2-O 2.99Å; E126-N129 PolarHBondContact O-N 2.54Å; N127-N129 PolarHBondContact O-N 2.81Å; N129-E131 PolarHBondContact O-N 2.83Å
130R98.6Very high98.3Very high59 Ų5957.1 Ų57.122%0.22331%0.307CS..  trans-66.5123.8-174.9178.8-178.8-72.9-94.611.9111.7I88 N127 V132 E150I88-R130 HydrophobicContact CB-CG 4.45Å; I88-R130 HydrophobicContact CD1-CB 4.21Å; I88-R130 HydrophobicContact CD1-CG 4.27Å; N127-R130 WeakPolarHBondContact O-CB 3.24Å; N127-R130 PolarHBondContact O-N 3.39Å; N127-R130 PolarHBondContact OD1-NE 3.1Å; N127-R130 PolarHBondContact OD1-NH2 3.33Å; N127-R130 VanDerWaalsContact OD1-NH2 3.14Å; R130-V132 WeakPolarHBondContact CD-O 3.44Å; R130-V132 VanDerWaalsContact CG-O 3.26Å; R130-V132 WeakPolarHBondContact CG-O 3.37Å; R130-V132 PolarHBondContact NH1-O 2.94Å; R130-E150 IonicContact CZ-OE1 3.66Å; R130-E150 IonicContact CZ-OE2 3.46Å; R130-E150 IonicContact NH1-OE1 2.66Å; R130-E150 PolarHBondContact NH1-OE1 2.86Å; R130-E150 IonicContact NH1-OE2 2.73Å; R130-E150 IonicContact NH2-OE1 2.87Å; R130-E150 PolarHBondContact NH2-OE1 3.4Å; R130-E150 IonicContact NH2-OE2 3.91Å; R130-E150 PolarHBondContact NH2-OE2 2.96Å
131E98.7Very high98.3Very high116 Ų11657.1 Ų57.154%0.54231%0.307SS..  trans-102.8-24.9172.6-59.5-175.3-179.900112.4I88 N90 K91 N129I88-E131 PolarHBondContact O-N 2.87Å; N90-E131 WeakPolarHBondContact CA-OE2 3.39Å; K91-E131 HydrophobicContact CB-CB 4.08Å; K91-E131 WeakPolarHBondContact CB-OE2 3.32Å; K91-E131 PolarHBondContact N-OE2 2.91Å; N129-E131 PolarHBondContact O-N 2.83Å
132V98.6Very high98.2Very high4 Ų462.1 Ų62.12%0.02433%0.33CS..SBendtrans-115.4114.6-178.8-175.20000110.3Y86 I88 K91 F94 R130 H136Y86-V132 HydrophobicContact CD2-CG2 4.45Å; Y86-V132 HydrophobicContact CE2-CB 3.83Å; Y86-V132 HydrophobicContact CE2-CG1 3.68Å; Y86-V132 HydrophobicContact CE2-CG2 4.24Å; I88-V132 PolarHBondContact O-N 3.46Å; K91-V132 HydrophobicContact CB-CG2 4.16Å; K91-V132 HydrophobicContact CG-CG2 4.25Å; F94-V132 HydrophobicContact CB-CG2 3.91Å; F94-V132 HydrophobicContact CD1-CG1 4.46Å; F94-V132 HydrophobicContact CD2-CG1 3.95Å; F94-V132 HydrophobicContact CE2-CG1 4.14Å; F94-V132 HydrophobicContact CG-CG1 4.1Å; F94-V132 HydrophobicContact CG-CG2 4.22Å; F94-V132 HydrophobicContact CZ-CG1 4.46Å; R130-V132 WeakPolarHBondContact CD-O 3.44Å; R130-V132 VanDerWaalsContact CG-O 3.26Å; R130-V132 WeakPolarHBondContact CG-O 3.37Å; R130-V132 PolarHBondContact NH1-O 2.94Å; V132-H136 HydrophobicContact CG1-CB 3.95Å
133S98.4Very high98.2Very high42 Ų4268.9 Ų68.929%0.29436%0.36SS..  trans-69.8152.7177.678.20000112.2A135 H136 G137S133-A135 PolarHBondContact O-N 3.29Å; S133-A135 VanDerWaalsContact O-N 3.11Å; S133-H136 PolarHBondContact O-N 3.28Å; S133-H136 VanDerWaalsContact O-N 3.07Å; S133-H136 PolarHBondContact OG-N 3.11Å; S133-H136 PolarHBondContact OG-ND1 3.27Å; S133-G137 PolarHBondContact O-N 3.36Å
134P98.2Very high98.1Very high47 Ų4767.1 Ų67.131%0.30535%0.352SS..Hα-helixtrans-58.3-26.5174.8-23.232.2000113.2K138P134-K138 WeakPolarHBondContact O-CB 3.41Å; P134-K138 VanDerWaalsContact O-CG 3.28Å; P134-K138 WeakPolarHBondContact O-CG 3.43Å; P134-K138 PolarHBondContact O-N 3.01Å
135A98.4Very high98.1Very high67 Ų6772.9 Ų72.955%0.55437%0.374SS*.Hα-helixtrans-66.6-40.3176.700000112S133 K138 A139S133-A135 PolarHBondContact O-N 3.29Å; S133-A135 VanDerWaalsContact O-N 3.11Å; A135-K138 PolarHBondContact O-N 2.89Å; A135-A139 VanDerWaalsContact O-CB 3.31Å; A135-A139 WeakPolarHBondContact O-CB 3.48Å; A135-A139 PolarHBondContact O-N 3.33Å
136H97.9Very high98Very high114 Ų11469.9 Ų69.953%0.52836%0.359SS..Hα-helixtrans-63.5-44.9175-71107.6000111.6F94 V132 S133 A139 L140F94-H136 HydrophobicContact CZ-CB 4.23Å; V132-H136 HydrophobicContact CG1-CB 3.95Å; S133-H136 PolarHBondContact O-N 3.28Å; S133-H136 VanDerWaalsContact O-N 3.07Å; S133-H136 PolarHBondContact OG-N 3.11Å; S133-H136 PolarHBondContact OG-ND1 3.27Å; H136-A139 PolarHBondContact O-N 3.38Å; H136-L140 PolarHBondContact O-N 3.49Å
137G98.3Very high98.1Very high0 Ų066.6 Ų66.60%034%0.343CS..Hα-helixtrans-59.6-46.3175.500000112.6L119 S133 L140 A141L119-G137 WeakPolarHBondContact CD2-O 3.1Å; S133-G137 PolarHBondContact O-N 3.36Å; G137-L140 PolarHBondContact O-N 3Å; G137-A141 WeakPolarHBondContact O-CB 3.43Å; G137-A141 PolarHBondContact O-N 2.85Å
138K98.4Very high98.2Very high108 Ų10863.5 Ų63.547%0.4733%0.326SS..Hα-helixtrans-61.5-44.8175.2-73.5173.6-176177.70112.5P134 A135 L140 A141 Q142 F148P134-K138 WeakPolarHBondContact O-CB 3.41Å; P134-K138 VanDerWaalsContact O-CG 3.28Å; P134-K138 WeakPolarHBondContact O-CG 3.43Å; P134-K138 PolarHBondContact O-N 3.01Å; A135-K138 PolarHBondContact O-N 2.89Å; K138-L140 VanDerWaalsContact C-N 3.35Å; K138-L140 PolarHBondContact O-N 3.48Å; K138-A141 PolarHBondContact O-N 3.13Å; K138-Q142 VanDerWaalsContact O-CG 3.31Å; K138-Q142 WeakPolarHBondContact O-CG 3.15Å; K138-Q142 PolarHBondContact O-N 3.3Å; K138-F148 HydrophobicContact CB-CD1 4.47Å; K138-F148 HydrophobicContact CG-CD1 3.52Å; K138-F148 HydrophobicContact CG-CE1 3.68Å; K138-F148 HydrophobicContact CG-CG 4.45Å
139A98.5Very high98.2Very high52 Ų5256.5 Ų56.543%0.4329%0.288SS..Hα-helixtrans-63-41.1179.600000111.8A135 H136 Q142 K143A135-A139 VanDerWaalsContact O-CB 3.31Å; A135-A139 WeakPolarHBondContact O-CB 3.48Å; A135-A139 PolarHBondContact O-N 3.33Å; H136-A139 PolarHBondContact O-N 3.38Å; A139-Q142 WeakPolarHBondContact O-CB 3.34Å; A139-Q142 PolarHBondContact O-N 2.56Å; A139-K143 PolarHBondContact O-N 3.3Å
140L98.2Very high98.2Very high23 Ų2353 Ų5312%0.1227%0.268CS..Hα-helixtrans-66.2-42.8176-171.662.2000111.7F94 L119 H136 G137 K138 Q142 K143 W144F94-L140 HydrophobicContact CD2-CD2 4.32Å; F94-L140 HydrophobicContact CE1-CD2 4.1Å; F94-L140 HydrophobicContact CE2-CB 4.29Å; F94-L140 HydrophobicContact CE2-CD2 3.55Å; F94-L140 HydrophobicContact CZ-CB 3.85Å; F94-L140 HydrophobicContact CZ-CD2 3.44Å; F94-L140 VanDerWaalsContact CZ-CD2 3.44Å; F94-L140 HydrophobicContact CZ-CG 4.24Å; L119-L140 HydrophobicContact CD2-CB 4.05Å; L119-L140 HydrophobicContact CD2-CD2 4.06Å; L119-L140 HydrophobicContact CD2-CG 4.2Å; H136-L140 PolarHBondContact O-N 3.49Å; G137-L140 PolarHBondContact O-N 3Å; K138-L140 VanDerWaalsContact C-N 3.35Å; K138-L140 PolarHBondContact O-N 3.48Å; L140-Q142 VanDerWaalsContact C-N 3.32Å; L140-Q142 PolarHBondContact O-N 3.13Å; L140-K143 HydrophobicContact CD1-CD 4.37Å; L140-K143 WeakPolarHBondContact O-CB 3.18Å; L140-K143 PolarHBondContact O-N 3.32Å; L140-W144 HydrophobicContact CD1-CD2 4.1Å; L140-W144 HydrophobicContact CD1-CH2 4.2Å; L140-W144 HydrophobicContact CD1-CZ2 3.61Å; L140-W144 HydrophobicContact CD2-CE3 4.41Å; L140-W144 HydrophobicContact CD2-CH2 3.63Å; L140-W144 HydrophobicContact CD2-CZ2 3.92Å; L140-W144 HydrophobicContact CD2-CZ3 3.9Å; L140-W144 HydrophobicContact CG-CD2 4.03Å; L140-W144 HydrophobicContact CG-CE3 4.1Å; L140-W144 HydrophobicContact CG-CH2 4Å; L140-W144 HydrophobicContact CG-CZ2 3.92Å; L140-W144 HydrophobicContact CG-CZ3 4.1Å; L140-W144 PolarHBondContact O-N 3.33Å
141A98.5Very high98.2Very high0 Ų050.1 Ų50.10%026%0.257CS..Hα-helixtrans-64.1-36176.200000113.1L119 G137 K138 W144 K145 C146 F148L119-A141 HydrophobicContact CB-CB 4.5Å; L119-A141 HydrophobicContact CD2-CB 4.14Å; G137-A141 WeakPolarHBondContact O-CB 3.43Å; G137-A141 PolarHBondContact O-N 2.85Å; K138-A141 PolarHBondContact O-N 3.13Å; A141-W144 CarbonylContact O-C 3.5Å; A141-W144 PolarHBondContact O-N 2.86Å; A141-K145 WeakPolarHBondContact O-CA 3.43Å; A141-K145 PolarHBondContact O-N 3.47Å; A141-C146 VanDerWaalsContact CA-SG 3.58Å; A141-C146 PolarHBondContact O-N 3.33Å; A141-F148 HydrophobicContact CB-CB 3.6Å; A141-F148 HydrophobicContact CB-CG 4.37Å
142Q98Very high98.2Very high104 Ų10444.6 Ų44.649%0.48623%0.231SC..Hα-helixtrans-61.2-48.6170.6-75.8173.8-11.200111.4K138 A139 L140 W144 K145 F190K138-Q142 VanDerWaalsContact O-CG 3.31Å; K138-Q142 WeakPolarHBondContact O-CG 3.15Å; K138-Q142 PolarHBondContact O-N 3.3Å; A139-Q142 WeakPolarHBondContact O-CB 3.34Å; A139-Q142 PolarHBondContact O-N 2.56Å; L140-Q142 VanDerWaalsContact C-N 3.32Å; L140-Q142 PolarHBondContact O-N 3.13Å; Q142-W144 VanDerWaalsContact C-N 3.3Å; Q142-W144 PolarHBondContact O-N 3.25Å; Q142-K145 PolarHBondContact O-N 3.4Å; Q142-K145 VanDerWaalsContact O-N 3.14Å; Q142-F190 HydrophobicContact CB-CD2 4.42Å; Q142-F190 HydrophobicContact CB-CE2 4.47Å; Q142-F190 HydrophobicContact CG-CD1 3.71Å; Q142-F190 HydrophobicContact CG-CD2 3.63Å; Q142-F190 HydrophobicContact CG-CE1 3.44Å; Q142-F190 VanDerWaalsContact CG-CE1 3.44Å; Q142-F190 HydrophobicContact CG-CE2 3.35Å; Q142-F190 HydrophobicContact CG-CG 3.81Å; Q142-F190 HydrophobicContact CG-CZ 3.25Å; Q142-F190 VanDerWaalsContact NE2-CE1 3.26Å
143K97.6Very high98.2Very high146 Ų14644.5 Ų44.564%0.63523%0.231SC*.Hα-helixtrans-56.7-43.8177.5-177.4-175.1178.5-172.70111.6A139 L140 K145A139-K143 PolarHBondContact O-N 3.3Å; L140-K143 HydrophobicContact CD1-CD 4.37Å; L140-K143 WeakPolarHBondContact O-CB 3.18Å; L140-K143 PolarHBondContact O-N 3.32Å; K143-K145 VanDerWaalsContact C-N 3.34Å
144W97.7Very high98.2Very high13 Ų1347.3 Ų47.35%0.04924%0.238CC..Hα-helixtrans-85.8-3.1-179.6-67.2-9.7000114.6L84 L97 Q98 Y101 L119 L140 A141 Q142 C146L84-W144 HydrophobicContact CD1-CE3 4.29Å; L84-W144 HydrophobicContact CD1-CZ3 3.81Å; L97-W144 HydrophobicContact CB-CH2 3.71Å; L97-W144 HydrophobicContact CB-CZ3 4.26Å; L97-W144 WeakPolarHBondContact O-CH2 3.38Å; Q98-W144 HydrophobicContact CB-CZ2 4.41Å; Y101-W144 AromaticContact CD1-CD1 3.82Å; Y101-W144 HydrophobicContact CD1-CD2 4.01Å; Y101-W144 AromaticContact CD1-CE2 3.78Å; Y101-W144 HydrophobicContact CD1-CG 4.06Å; Y101-W144 HydrophobicContact CD1-CZ2 4.35Å; Y101-W144 AromaticContact CD1-NE1 3.66Å; Y101-W144 HydrophobicContact CD2-CB 4.36Å; Y101-W144 AromaticContact CD2-CD2 3.55Å; Y101-W144 HydrophobicContact CD2-CD2 3.55Å; Y101-W144 AromaticContact CD2-CE3 3.58Å; Y101-W144 HydrophobicContact CD2-CE3 3.58Å; Y101-W144 AromaticContact CD2-CG 3.93Å; Y101-W144 HydrophobicContact CD2-CG 3.93Å; Y101-W144 HydrophobicContact CD2-CZ2 4.5Å; Y101-W144 HydrophobicContact CD2-CZ3 4.07Å; Y101-W144 HydrophobicContact CE1-CB 4.31Å; Y101-W144 AromaticContact CE1-CD1 3.59Å; Y101-W144 HydrophobicContact CE1-CD2 4.25Å; Y101-W144 AromaticContact CE1-CG 3.82Å; Y101-W144 HydrophobicContact CE1-CG 3.82Å; Y101-W144 AromaticContact CE1-NE1 3.93Å; Y101-W144 HydrophobicContact CE2-CB 3.67Å; Y101-W144 AromaticContact CE2-CD2 3.81Å; Y101-W144 HydrophobicContact CE2-CD2 3.81Å; Y101-W144 HydrophobicContact CE2-CE3 4.04Å; Y101-W144 AromaticContact CE2-CG 3.67Å; Y101-W144 HydrophobicContact CE2-CG 3.67Å; Y101-W144 AromaticContact CG-CD2 3.66Å; Y101-W144 HydrophobicContact CG-CD2 3.66Å; Y101-W144 AromaticContact CG-CE2 3.61Å; Y101-W144 AromaticContact CG-CE3 3.98Å; Y101-W144 HydrophobicContact CG-CE3 3.98Å; Y101-W144 HydrophobicContact CG-CG 4.11Å; Y101-W144 HydrophobicContact CG-CH2 4.21Å; Y101-W144 AromaticContact CG-CZ2 3.92Å; Y101-W144 HydrophobicContact CG-CZ2 3.92Å; Y101-W144 HydrophobicContact CG-CZ3 4.24Å; Y101-W144 AromaticContact CG-NE1 3.99Å; Y101-W144 AromaticContact CZ-CD1 3.84Å; Y101-W144 AromaticContact CZ-CG 3.6Å; Y101-W144 PolarHBondContact OH-O 2.8Å; Y101-W144 VanDerWaalsContact OH-O 3.07Å; L119-W144 HydrophobicContact CD1-CZ3 4.29Å; L140-W144 HydrophobicContact CD1-CD2 4.1Å; L140-W144 HydrophobicContact CD1-CH2 4.2Å; L140-W144 HydrophobicContact CD1-CZ2 3.61Å; L140-W144 HydrophobicContact CD2-CE3 4.41Å; L140-W144 HydrophobicContact CD2-CH2 3.63Å; L140-W144 HydrophobicContact CD2-CZ2 3.92Å; L140-W144 HydrophobicContact CD2-CZ3 3.9Å; L140-W144 HydrophobicContact CG-CD2 4.03Å; L140-W144 HydrophobicContact CG-CE3 4.1Å; L140-W144 HydrophobicContact CG-CH2 4Å; L140-W144 HydrophobicContact CG-CZ2 3.92Å; L140-W144 HydrophobicContact CG-CZ3 4.1Å; L140-W144 PolarHBondContact O-N 3.33Å; A141-W144 CarbonylContact O-C 3.5Å; A141-W144 PolarHBondContact O-N 2.86Å; Q142-W144 VanDerWaalsContact C-N 3.3Å; Q142-W144 PolarHBondContact O-N 3.25Å; W144-C146 HydrophobicContact CB-CB 4.42Å; W144-C146 PolarHBondContact O-N 3.05Å
145K97Very high98.2Very high145 Ų14548.6 Ų48.663%0.6325%0.248SC*.THydrogen-bonded Turntrans52.439.2-175.2-56.3173.4-176.5169.40112.1A141 Q142 K143 F191A141-K145 WeakPolarHBondContact O-CA 3.43Å; A141-K145 PolarHBondContact O-N 3.47Å; Q142-K145 PolarHBondContact O-N 3.4Å; Q142-K145 VanDerWaalsContact O-N 3.14Å; K143-K145 VanDerWaalsContact C-N 3.34Å; K145-F191 WeakPolarHBondContact O-CE2 3.32Å; K145-F191 WeakPolarHBondContact O-CZ 3.21Å
146C97.9Very high98.2Very high1 Ų149.5 Ų49.51%0.00724%0.244CC..  trans-110.6171.9-17973.20000111.7I117 A141 W144I117-C146 HydrophobicContact CB-CB 3.82Å; I117-C146 HydrophobicContact CG2-CB 3.91Å; I117-C146 WeakPolarHBondContact O-CB 3.33Å; A141-C146 VanDerWaalsContact CA-SG 3.58Å; A141-C146 PolarHBondContact O-N 3.33Å; W144-C146 HydrophobicContact CB-CB 4.42Å; W144-C146 PolarHBondContact O-N 3.05Å
147G98.1Very high98.2Very high0 Ų047.9 Ų47.90%024%0.238CC..EExtended strand (participates in β ladder)trans-77.9154.4172.600000111.7I117 L119I117-G147 PolarHBondContact O-N 3.18Å; L119-G147 PolarHBondContact N-O 3.17Å
148F98.7Very high98.2Very high21 Ų2150.2 Ų50.29%0.09225%0.251CS..EExtended strand (participates in β ladder)trans-134.6135.8177.1175.9-109.1000112Y86 L119 K138 A141 E150 F187Y86-F148 HydrophobicContact CE1-CE2 4.31Å; L119-F148 HydrophobicContact CB-CD2 4.21Å; L119-F148 HydrophobicContact CD2-CD2 4Å; L119-F148 HydrophobicContact CD2-CE2 4.49Å; L119-F148 HydrophobicContact CG-CD2 3.99Å; L119-F148 HydrophobicContact CG-CE2 4.49Å; L119-F148 WeakPolarHBondContact O-CA 3.49Å; K138-F148 HydrophobicContact CB-CD1 4.47Å; K138-F148 HydrophobicContact CG-CD1 3.52Å; K138-F148 HydrophobicContact CG-CE1 3.68Å; K138-F148 HydrophobicContact CG-CG 4.45Å; A141-F148 HydrophobicContact CB-CB 3.6Å; A141-F148 HydrophobicContact CB-CG 4.37Å; F148-E150 HydrophobicContact CE1-CG 4.07Å; F148-E150 HydrophobicContact CZ-CG 3.65Å; F148-F187 WeakPolarHBondContact O-CE2 3.41Å
149M98.6Very high98.2Very high14 Ų1445.1 Ų45.17%0.06923%0.229CC..EExtended strand (participates in β ladder)trans-148.9144.5172.7-163.3169-70.800110.3M118 L119 V120 G121 N158 E161 V162 E165 F187M118-M149 HydrophobicContact CE-CB 4.09Å; M118-M149 HydrophobicContact CE-CE 4.45Å; L119-M149 PolarHBondContact O-N 3.43Å; L119-M149 VanDerWaalsContact O-N 3.08Å; V120-M149 VanDerWaalsContact CA-O 3.31Å; V120-M149 WeakPolarHBondContact CA-O 3.47Å; G121-M149 PolarHBondContact N-O 3.3Å; M149-N158 HydrophobicContact CG-CB 3.92Å; M149-N158 HydrophobicContact SD-CB 3.61Å; M149-E161 HydrophobicContact CE-CB 3.93Å; M149-E161 HydrophobicContact SD-CB 3.63Å; M149-V162 HydrophobicContact CB-CG2 3.98Å; M149-V162 HydrophobicContact CG-CG2 4.18Å; M149-V162 HydrophobicContact SD-CG2 3.68Å; M149-E165 HydrophobicContact CE-CG 3.96Å; M149-F187 HydrophobicContact CE-CD2 3.93Å; M149-F187 HydrophobicContact CE-CE2 4.19Å
150E98.8Very high98.2Very high36 Ų3646.8 Ų46.817%0.16823%0.226CC..EExtended strand (participates in β ladder)trans-96142.1166-58.2-161.8142.700110.3G121 V124 R130 F148 N158G121-E150 CarbonylContact O-C 3.56Å; G121-E150 WeakPolarHBondContact O-CA 3.42Å; G121-E150 WeakPolarHBondContact O-CB 3.46Å; V124-E150 HydrophobicContact CG1-CB 3.53Å; V124-E150 HydrophobicContact CG1-CG 4.3Å; R130-E150 IonicContact CZ-OE1 3.66Å; R130-E150 IonicContact CZ-OE2 3.46Å; R130-E150 IonicContact NH1-OE1 2.66Å; R130-E150 PolarHBondContact NH1-OE1 2.86Å; R130-E150 IonicContact NH1-OE2 2.73Å; R130-E150 IonicContact NH2-OE1 2.87Å; R130-E150 PolarHBondContact NH2-OE1 3.4Å; R130-E150 IonicContact NH2-OE2 3.91Å; R130-E150 PolarHBondContact NH2-OE2 2.96Å; F148-E150 HydrophobicContact CE1-CG 4.07Å; F148-E150 HydrophobicContact CZ-CG 3.65Å; E150-N158 VanDerWaalsContact O-CB 3.32Å; E150-N158 WeakPolarHBondContact O-CB 3.44Å; E150-N158 PolarHBondContact O-ND2 2.95Å
151T98.8Very high98.2Very high0 Ų048.5 Ų48.50%023%0.234CC..EExtended strand (participates in β ladder)trans-135.2160.4-173.5580000112.3L23 V120 G121 N122 K123 V124 L157 N158 V162L23-T151 HydrophobicContact CD2-CG2 4.47Å; V120-T151 HydrophobicContact CG1-CG2 3.74Å; V120-T151 WeakPolarHBondContact CG1-OG1 3.31Å; G121-T151 PolarHBondContact O-N 3.25Å; N122-T151 CarbonylContact C-O 3.6Å; N122-T151 WeakPolarHBondContact CA-O 3.41Å; N122-T151 WeakPolarHBondContact CA-OG1 3.42Å; N122-T151 PolarHBondContact OD1-O 3.39Å; N122-T151 PolarHBondContact OD1-OG1 3.43Å; N122-T151 VanDerWaalsContact OD1-OG1 3.12Å; K123-T151 PolarHBondContact N-O 3.27Å; V124-T151 WeakPolarHBondContact CG2-O 3.48Å; V124-T151 PolarHBondContact N-O 2.9Å; V124-T151 VanDerWaalsContact N-O 3.14Å; T151-L157 WeakPolarHBondContact CA-O 3.47Å; T151-N158 HydrophobicContact CG2-CB 3.84Å; T151-V162 HydrophobicContact CG2-CG2 3.45Å; T151-V162 VanDerWaalsContact CG2-CG2 3.45Å
152S98.6Very high98.1Very high0 Ų048.7 Ų48.70%024%0.235CC..BIsolated β-bridgetrans-133.2113160.1171.90000109.1D125 K154 S155 N156 L157D125-S152 WeakPolarHBondContact OD1-CB 3.49Å; D125-S152 PolarHBondContact OD1-OG 3.47Å; S152-K154 PolarHBondContact O-N 2.98Å; S152-K154 PolarHBondContact OG-N 3.49Å; S152-S155 VanDerWaalsContact CB-OG 3.24Å; S152-S155 WeakPolarHBondContact CB-OG 3.37Å; S152-S155 PolarHBondContact OG-N 3.27Å; S152-S155 PolarHBondContact OG-OG 3.34Å; S152-N156 CarbonylContact O-C 3.57Å; S152-N156 VanDerWaalsContact O-CA 3.3Å; S152-N156 WeakPolarHBondContact O-CA 3.46Å; S152-N156 PolarHBondContact O-N 3.49Å; S152-L157 PolarHBondContact N-O 2.99Å; S152-L157 PolarHBondContact O-N 3.28Å
153A98.5Very high98.1Very high2 Ų244.1 Ų44.12%0.01721%0.213CC..THydrogen-bonded Turntrans-62.2-32169.500000112.1L23 R26 F32 N122L23-A153 HydrophobicContact CD2-CB 4Å; L23-A153 HydrophobicContact CG-CB 4.19Å; R26-A153 PolarHBondContact NE-O 3.3Å; F32-A153 HydrophobicContact CD2-CB 4Å; F32-A153 WeakPolarHBondContact CD2-O 3.38Å; F32-A153 HydrophobicContact CE2-CB 4Å; N122-A153 PolarHBondContact OD1-N 3.35Å
154K98.1Very high98.1Very high101 Ų10137.9 Ų37.944%0.43919%0.187SC..THydrogen-bonded Turntrans-64.3-57.4179.9-172.7176.7-169.6174.70110.5R26 F32 E34 D125 S152 N156R26-K154 PolarHBondContact NH2-O 3.01Å; F32-K154 HydrophobicContact CD1-CG 4.3Å; F32-K154 HydrophobicContact CE1-CB 3.9Å; F32-K154 HydrophobicContact CE1-CD 4.36Å; F32-K154 HydrophobicContact CE1-CG 3.67Å; F32-K154 HydrophobicContact CE2-CB 3.94Å; F32-K154 HydrophobicContact CZ-CB 3.58Å; F32-K154 HydrophobicContact CZ-CD 4.45Å; F32-K154 HydrophobicContact CZ-CG 3.85Å; E34-K154 IonicContact OE1-NZ 2.82Å; D125-K154 WeakPolarHBondContact OD2-CB 3.41Å; D125-K154 WeakPolarHBondContact OD2-CD 3.31Å; S152-K154 PolarHBondContact O-N 2.98Å; S152-K154 PolarHBondContact OG-N 3.49Å; K154-N156 VanDerWaalsContact C-N 3.29Å; K154-N156 PolarHBondContact O-N 3.01Å
155S97.7Very high98Very high74 Ų7438 Ų3852%0.51719%0.188SC..THydrogen-bonded Turntrans-85.83.8-178.677.20000114.1S152 L157S152-S155 VanDerWaalsContact CB-OG 3.24Å; S152-S155 WeakPolarHBondContact CB-OG 3.37Å; S152-S155 PolarHBondContact OG-N 3.27Å; S152-S155 PolarHBondContact OG-OG 3.34Å; S155-L157 PolarHBondContact O-N 2.94Å; S155-L157 WeakPolarHBondContact OG-CB 3.31Å
156N98.1Very high98.1Very high86 Ų8631.2 Ų31.246%0.4616%0.158SC..THydrogen-bonded Turntrans56.828.7-174.8-165.238.9000113.9R26 S152 K154R26-N156 WeakPolarHBondContact CD-OD1 3.3Å; R26-N156 HydrophobicContact CG-CB 4.3Å; R26-N156 WeakPolarHBondContact CG-OD1 3.19Å; S152-N156 CarbonylContact O-C 3.57Å; S152-N156 VanDerWaalsContact O-CA 3.3Å; S152-N156 WeakPolarHBondContact O-CA 3.46Å; S152-N156 PolarHBondContact O-N 3.49Å; K154-N156 VanDerWaalsContact C-N 3.29Å; K154-N156 PolarHBondContact O-N 3.01Å
157L98.6Very high98Very high79 Ų7931.2 Ų31.241%0.41416%0.158SC..BIsolated β-bridgetrans-80.8126.6178.617863.8000110.3V124 T151 S152 S155 V159V124-L157 HydrophobicContact CG2-CD2 3.66Å; T151-L157 WeakPolarHBondContact CA-O 3.47Å; S152-L157 PolarHBondContact N-O 2.99Å; S152-L157 PolarHBondContact O-N 3.28Å; S155-L157 PolarHBondContact O-N 2.94Å; S155-L157 WeakPolarHBondContact OG-CB 3.31Å; L157-V159 PolarHBondContact O-N 3.07Å
158N98.4Very high97.8Very high50 Ų5035.1 Ų35.127%0.26718%0.175SC..SBendtrans60.510.4175.2-72.9-22000115.2M149 E150 T151 E161 V162M149-N158 HydrophobicContact CG-CB 3.92Å; M149-N158 HydrophobicContact SD-CB 3.61Å; E150-N158 VanDerWaalsContact O-CB 3.32Å; E150-N158 WeakPolarHBondContact O-CB 3.44Å; E150-N158 PolarHBondContact O-ND2 2.95Å; T151-N158 HydrophobicContact CG2-CB 3.84Å; N158-E161 WeakPolarHBondContact CA-OE2 3.27Å; N158-E161 PolarHBondContact O-N 2.66Å; N158-V162 WeakPolarHBondContact O-CG2 3.48Å; N158-V162 PolarHBondContact O-N 3.08Å; N158-V162 VanDerWaalsContact O-N 3.1Å
159V98.5Very high97.7Very high1 Ų135.1 Ų35.11%0.00618%0.176CC..Hα-helixtrans-66-47.6-175.6176.60000110.4L23 R26 F27 L157 F163L23-V159 HydrophobicContact CD2-CG2 4.04Å; R26-V159 HydrophobicContact CB-CG1 4.07Å; R26-V159 HydrophobicContact CG-CB 4.21Å; R26-V159 HydrophobicContact CG-CG1 3.86Å; R26-V159 HydrophobicContact CG-CG2 3.96Å; F27-V159 HydrophobicContact CB-CG1 3.84Å; L157-V159 PolarHBondContact O-N 3.07Å; V159-F163 WeakPolarHBondContact O-CD2 3.48Å
160K97.3Very high97.4Very high86 Ų8634.9 Ų34.937%0.37417%0.174SC..Hα-helixtrans-68.5-40.5179.5-163.7-173.9-169.4-1730111.1F27 V162 F163 Q164 L177 E180F27-K160 HydrophobicContact CE2-CG 4.3Å; K160-V162 VanDerWaalsContact C-N 3.32Å; K160-V162 PolarHBondContact O-N 3.29Å; K160-F163 PolarHBondContact O-N 3.03Å; K160-F163 VanDerWaalsContact O-N 3.14Å; K160-Q164 HydrophobicContact CG-CG 4.47Å; K160-Q164 WeakPolarHBondContact O-CG 3.07Å; K160-Q164 PolarHBondContact O-N 2.88Å; K160-L177 HydrophobicContact CD-CD1 4.38Å; K160-L177 HydrophobicContact CG-CD1 3.66Å; K160-E180 WeakPolarHBondContact CD-OE1 3.36Å; K160-E180 VanDerWaalsContact CE-CD 3.44Å; K160-E180 WeakPolarHBondContact CE-OE1 3.42Å; K160-E180 VanDerWaalsContact NZ-CD 3.33Å; K160-E180 IonicContact NZ-OE1 3.7Å; K160-E180 PolarHBondContact NZ-OE1 3.02Å
161E97.9Very high97.1Very high60 Ų6038.2 Ų38.228%0.2820%0.198SC..Hα-helixtrans-60.4-38.3-177.7-68.274.4-171.600111.7M149 N158 F163 Q164 E165M149-E161 HydrophobicContact CE-CB 3.93Å; M149-E161 HydrophobicContact SD-CB 3.63Å; N158-E161 WeakPolarHBondContact CA-OE2 3.27Å; N158-E161 PolarHBondContact O-N 2.66Å; E161-F163 PolarHBondContact O-N 3.22Å; E161-Q164 PolarHBondContact O-N 2.87Å; E161-E165 WeakPolarHBondContact O-CB 3.4Å; E161-E165 WeakPolarHBondContact O-CG 3.31Å; E161-E165 PolarHBondContact O-N 2.91Å
162V98.4Very high96.6Very high4 Ų444.6 Ų44.62%0.02422%0.221CC..Hα-helixtrans-57.1-48.7173.5164.70000111.6I83 V120 M149 T151 N158 K160 L166I83-V162 HydrophobicContact CD1-CG1 3.88Å; I83-V162 HydrophobicContact CG1-CG1 4.42Å; I83-V162 HydrophobicContact CG2-CG1 4.31Å; V120-V162 HydrophobicContact CG2-CG1 3.89Å; V120-V162 HydrophobicContact CG2-CG2 3.91Å; M149-V162 HydrophobicContact CB-CG2 3.98Å; M149-V162 HydrophobicContact CG-CG2 4.18Å; M149-V162 HydrophobicContact SD-CG2 3.68Å; T151-V162 HydrophobicContact CG2-CG2 3.45Å; T151-V162 VanDerWaalsContact CG2-CG2 3.45Å; N158-V162 WeakPolarHBondContact O-CG2 3.48Å; N158-V162 PolarHBondContact O-N 3.08Å; N158-V162 VanDerWaalsContact O-N 3.1Å; K160-V162 VanDerWaalsContact C-N 3.32Å; K160-V162 PolarHBondContact O-N 3.29Å; V162-L166 WeakPolarHBondContact O-CB 3.41Å; V162-L166 PolarHBondContact O-N 3.21Å
163F97.7Very high96.1Very high7 Ų747.5 Ų47.53%0.03123%0.233CC..Hα-helixtrans-70.5-38.4-179.3-67.6-86.4000111.6F27 I59 I83 V159 K160 E161 L167F27-F163 HydrophobicContact CB-CD2 3.77Å; F27-F163 HydrophobicContact CB-CE2 3.39Å; F27-F163 HydrophobicContact CB-CZ 4.04Å; F27-F163 AromaticContact CD1-CD1 3.97Å; F27-F163 HydrophobicContact CD1-CD1 3.97Å; F27-F163 AromaticContact CD1-CD2 3.71Å; F27-F163 HydrophobicContact CD1-CD2 3.71Å; F27-F163 HydrophobicContact CD1-CE1 4.02Å; F27-F163 AromaticContact CD1-CE2 3.79Å; F27-F163 HydrophobicContact CD1-CE2 3.79Å; F27-F163 AromaticContact CD1-CG 3.83Å; F27-F163 HydrophobicContact CD1-CG 3.83Å; F27-F163 AromaticContact CD1-CZ 3.93Å; F27-F163 HydrophobicContact CD1-CZ 3.93Å; F27-F163 HydrophobicContact CD2-CB 4.16Å; F27-F163 AromaticContact CD2-CD2 3.39Å; F27-F163 HydrophobicContact CD2-CD2 3.39Å; F27-F163 AromaticContact CD2-CE2 3.98Å; F27-F163 HydrophobicContact CD2-CE2 3.98Å; F27-F163 AromaticContact CD2-CG 3.89Å; F27-F163 HydrophobicContact CD2-CG 3.89Å; F27-F163 HydrophobicContact CE1-CB 4.21Å; F27-F163 AromaticContact CE1-CD1 3.96Å; F27-F163 HydrophobicContact CE1-CD1 3.96Å; F27-F163 HydrophobicContact CE1-CD2 4.16Å; F27-F163 HydrophobicContact CE1-CE1 4.4Å; F27-F163 AromaticContact CE1-CG 3.84Å; F27-F163 HydrophobicContact CE1-CG 3.84Å; F27-F163 HydrophobicContact CE2-CB 3.71Å; F27-F163 AromaticContact CE2-CD2 3.86Å; F27-F163 HydrophobicContact CE2-CD2 3.86Å; F27-F163 AromaticContact CE2-CG 3.88Å; F27-F163 HydrophobicContact CE2-CG 3.88Å; F27-F163 HydrophobicContact CG-CD1 4.42Å; F27-F163 AromaticContact CG-CD2 3.31Å; F27-F163 HydrophobicContact CG-CD2 3.31Å; F27-F163 HydrophobicContact CG-CE1 4.49Å; F27-F163 AromaticContact CG-CE2 3.43Å; F27-F163 HydrophobicContact CG-CE2 3.43Å; F27-F163 VanDerWaalsContact CG-CE2 3.43Å; F27-F163 AromaticContact CG-CG 3.86Å; F27-F163 HydrophobicContact CG-CG 3.86Å; F27-F163 HydrophobicContact CG-CZ 4.04Å; F27-F163 HydrophobicContact CZ-CB 3.74Å; F27-F163 HydrophobicContact CZ-CD1 4.37Å; F27-F163 HydrophobicContact CZ-CD2 4.22Å; F27-F163 AromaticContact CZ-CG 3.86Å; F27-F163 HydrophobicContact CZ-CG 3.86Å; I59-F163 HydrophobicContact CD1-CD1 4.02Å; I59-F163 HydrophobicContact CD1-CE1 3.6Å; I59-F163 HydrophobicContact CD1-CZ 4.31Å; I59-F163 HydrophobicContact CG1-CE1 4.2Å; I59-F163 HydrophobicContact CG2-CE1 4.15Å; I83-F163 HydrophobicContact CD1-CD1 3.98Å; I83-F163 HydrophobicContact CD1-CE1 3.59Å; I83-F163 HydrophobicContact CD1-CZ 3.97Å; V159-F163 WeakPolarHBondContact O-CD2 3.48Å; K160-F163 PolarHBondContact O-N 3.03Å; K160-F163 VanDerWaalsContact O-N 3.14Å; E161-F163 PolarHBondContact O-N 3.22Å; F163-L167 VanDerWaalsContact O-CG 3.26Å; F163-L167 WeakPolarHBondContact O-CG 3.32Å; F163-L167 PolarHBondContact O-N 2.91Å
164Q96.6Very high95.7Very high16 Ų1652.8 Ų52.88%0.07526%0.261CS..Hα-helixtrans-60.6-50.3174.7-70.2167.810.300112.5K160 E161 L166 L167 K168 L177 E180K160-Q164 HydrophobicContact CG-CG 4.47Å; K160-Q164 WeakPolarHBondContact O-CG 3.07Å; K160-Q164 PolarHBondContact O-N 2.88Å; E161-Q164 PolarHBondContact O-N 2.87Å; Q164-L166 VanDerWaalsContact C-N 3.33Å; Q164-L167 PolarHBondContact O-N 3.35Å; Q164-K168 WeakPolarHBondContact O-CG 3.3Å; Q164-K168 PolarHBondContact O-N 3.07Å; Q164-L177 HydrophobicContact CG-CD1 3.45Å; Q164-L177 VanDerWaalsContact CG-CD1 3.45Å; Q164-L177 HydrophobicContact CG-CG 3.93Å; Q164-E180 WeakPolarHBondContact CG-OE2 3.49Å; Q164-E180 PolarHBondContact NE2-OE1 3.08Å; Q164-E180 PolarHBondContact NE2-OE2 3.18Å
165E96.5Very high95.3Very high16 Ų1648.2 Ų48.28%0.07524%0.241CC..Hα-helixtrans-66.3-38.7-177.8-69.5-54136.700110.9M118 M149 E161 L167 K168 M169 F187M118-E165 HydrophobicContact CE-CB 4.26Å; M118-E165 HydrophobicContact SD-CB 4.44Å; M149-E165 HydrophobicContact CE-CG 3.96Å; E161-E165 WeakPolarHBondContact O-CB 3.4Å; E161-E165 WeakPolarHBondContact O-CG 3.31Å; E161-E165 PolarHBondContact O-N 2.91Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 2.83Å; E165-K168 PolarHBondContact O-N 3.19Å; E165-K168 IonicContact OE1-NZ 2.71Å; E165-K168 PolarHBondContact OE1-NZ 2.9Å; E165-M169 VanDerWaalsContact O-CG 3.26Å; E165-M169 WeakPolarHBondContact O-CG 3.5Å; E165-M169 PolarHBondContact O-N 2.92Å; E165-F187 HydrophobicContact CB-CE1 4.39Å; E165-F187 HydrophobicContact CB-CZ 4.33Å; E165-F187 HydrophobicContact CG-CD1 4.28Å; E165-F187 HydrophobicContact CG-CD2 4.18Å; E165-F187 HydrophobicContact CG-CE2 4.45Å; E165-F187 HydrophobicContact CG-CG 4.09Å; E165-F187 WeakPolarHBondContact OE2-CD1 3.2Å
166L97.5Very high95.1Very high1 Ų147.8 Ų47.81%0.00524%0.235CC..Hα-helixtrans-57.4-44.7172.4-17075.8000111.9V10 A81 F82 I83 P116 M118 V162 Q164 M169V10-L166 HydrophobicContact CB-CD2 4.37Å; V10-L166 HydrophobicContact CG1-CD2 3.65Å; V10-L166 HydrophobicContact CG2-CD2 3.7Å; A81-L166 HydrophobicContact CB-CD1 4.13Å; A81-L166 HydrophobicContact CB-CD2 3.99Å; A81-L166 HydrophobicContact CB-CG 4.06Å; F82-L166 WeakPolarHBondContact O-CD1 3.4Å; I83-L166 HydrophobicContact CD1-CD2 4.02Å; I83-L166 HydrophobicContact CG1-CD2 3.74Å; P116-L166 HydrophobicContact CB-CD1 3.79Å; P116-L166 HydrophobicContact CB-CG 4.25Å; M118-L166 HydrophobicContact CB-CD1 4.04Å; M118-L166 HydrophobicContact CG-CB 3.85Å; M118-L166 HydrophobicContact CG-CD1 3.47Å; M118-L166 VanDerWaalsContact CG-CD1 3.47Å; M118-L166 HydrophobicContact CG-CG 4.26Å; V162-L166 WeakPolarHBondContact O-CB 3.41Å; V162-L166 PolarHBondContact O-N 3.21Å; Q164-L166 VanDerWaalsContact C-N 3.33Å; L166-M169 PolarHBondContact O-N 3.45Å
167L96.1Very high94.7Very high2 Ų244.1 Ų44.11%0.0122%0.216CC..Hα-helixtrans-67.6-38.2177.5-68.3175.6000112.5Y8 I48 L57 F163 Q164 E165 M169 E170 M175 L177Y8-L167 HydrophobicContact CD1-CD2 3.84Å; Y8-L167 HydrophobicContact CE1-CD2 4Å; I48-L167 HydrophobicContact CD1-CD2 4.19Å; I48-L167 HydrophobicContact CG2-CD1 4.11Å; L57-L167 HydrophobicContact CD1-CD2 4.15Å; F163-L167 VanDerWaalsContact O-CG 3.26Å; F163-L167 WeakPolarHBondContact O-CG 3.32Å; F163-L167 PolarHBondContact O-N 2.91Å; Q164-L167 PolarHBondContact O-N 3.35Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 2.83Å; L167-M169 PolarHBondContact O-N 3.26Å; L167-E170 WeakPolarHBondContact O-CB 3.47Å; L167-E170 PolarHBondContact O-N 3.26Å; L167-M175 HydrophobicContact CB-CB 4.06Å; L167-M175 HydrophobicContact CD2-CB 4.15Å; L167-M175 HydrophobicContact CD2-CE 3.79Å; L167-M175 HydrophobicContact CD2-SD 4.11Å; L167-L177 HydrophobicContact CD1-CD2 3.58Å; L167-L177 HydrophobicContact CD1-CG 4.3Å
168K95Very high94.1Very high81 Ų8144.6 Ų44.635%0.35222%0.222SC..Hα-helixtrans-66.7-25.5176.3-72.4173.7-167.4168.20113.3Q164 E165 E170Q164-K168 WeakPolarHBondContact O-CG 3.3Å; Q164-K168 PolarHBondContact O-N 3.07Å; E165-K168 PolarHBondContact O-N 3.19Å; E165-K168 IonicContact OE1-NZ 2.71Å; E165-K168 PolarHBondContact OE1-NZ 2.9Å; K168-E170 VanDerWaalsContact C-N 3.31Å
169M95.1Very high92.8Very high22 Ų2245.9 Ų45.911%0.10825%0.247CC..Hα-helixtrans-75.1-19.8177-77.2170.639.300112.9P116 I117 M118 E165 L166 L167 T171 F187 F191P116-M169 HydrophobicContact CB-CB 3.88Å; P116-M169 HydrophobicContact CB-CE 4Å; P116-M169 HydrophobicContact CG-CB 4.2Å; I117-M169 WeakPolarHBondContact O-CE 3.46Å; M118-M169 HydrophobicContact SD-CE 4.47Å; M118-M169 HydrophobicContact SD-SD 3.71Å; E165-M169 VanDerWaalsContact O-CG 3.26Å; E165-M169 WeakPolarHBondContact O-CG 3.5Å; E165-M169 PolarHBondContact O-N 2.92Å; L166-M169 PolarHBondContact O-N 3.45Å; L167-M169 PolarHBondContact O-N 3.26Å; M169-T171 PolarHBondContact O-N 2.7Å; M169-F187 HydrophobicContact SD-CE1 4.41Å; M169-F187 HydrophobicContact SD-CZ 4.43Å; M169-F191 HydrophobicContact CE-CD2 3.75Å; M169-F191 HydrophobicContact CE-CE2 3.1Å; M169-F191 HydrophobicContact CE-CZ 3.7Å; M169-F191 HydrophobicContact SD-CD2 4.32Å; M169-F191 HydrophobicContact SD-CE2 4.19Å
170E94.1Very high91Very high8 Ų849 Ų494%0.03726%0.261CS..  trans-68.5119.7172.6-179.757.6-105.900110.1Y8 P116 L167 K168 R172 R173 M175Y8-E170 HydrophobicContact CE2-CG 4.04Å; Y8-E170 WeakPolarHBondContact CE2-OE2 3.48Å; Y8-E170 PolarHBondContact OH-OE2 3.27Å; P116-E170 HydrophobicContact CG-CB 4.01Å; L167-E170 WeakPolarHBondContact O-CB 3.47Å; L167-E170 PolarHBondContact O-N 3.26Å; K168-E170 VanDerWaalsContact C-N 3.31Å; E170-R172 VanDerWaalsContact OE1-CB 3.29Å; E170-R172 WeakPolarHBondContact OE1-CB 3.4Å; E170-R172 WeakPolarHBondContact OE1-CG 3.49Å; E170-R172 IonicContact OE1-CZ 3.75Å; E170-R172 PolarHBondContact OE1-N 2.71Å; E170-R172 IonicContact OE1-NE 3.54Å; E170-R172 PolarHBondContact OE1-NE 3.35Å; E170-R172 IonicContact OE1-NH2 2.93Å; E170-R172 PolarHBondContact OE1-NH2 3.47Å; E170-R172 IonicContact OE2-CZ 2.6Å; E170-R172 IonicContact OE2-NE 3.42Å; E170-R172 IonicContact OE2-NH2 3.55Å; E170-R172 PolarHBondContact OE2-NH2 2.66Å; E170-R173 HydrophobicContact CG-CB 4.03Å; E170-M175 HydrophobicContact CB-CE 3.3Å; E170-M175 HydrophobicContact CG-CE 3.39Å
171T90.6Very high88.6Confident107 Ų10751.6 Ų51.666%0.65628%0.284SS*.SBendtrans-94.7-18.7-175.953.80000112.9M169M169-T171 PolarHBondContact O-N 2.7Å
172R88.6Confident86.3Confident133 Ų13358.7 Ų58.750%0.50231%0.314SS..SBendtrans-84.8-18.4-177.8-59.8167.8-69.9-174.7-1.3112.8E170E170-R172 VanDerWaalsContact OE1-CB 3.29Å; E170-R172 WeakPolarHBondContact OE1-CB 3.4Å; E170-R172 WeakPolarHBondContact OE1-CG 3.49Å; E170-R172 IonicContact OE1-CZ 3.75Å; E170-R172 PolarHBondContact OE1-N 2.71Å; E170-R172 IonicContact OE1-NE 3.54Å; E170-R172 PolarHBondContact OE1-NE 3.35Å; E170-R172 IonicContact OE1-NH2 2.93Å; E170-R172 PolarHBondContact OE1-NH2 3.47Å; E170-R172 IonicContact OE2-CZ 2.6Å; E170-R172 IonicContact OE2-NE 3.42Å; E170-R172 IonicContact OE2-NH2 3.55Å; E170-R172 PolarHBondContact OE2-NH2 2.66Å
173R88.5Confident83.9Confident62 Ų6262.8 Ų62.823%0.23434%0.343CS..SBendtrans-141.2127-174.9-60.3-179.6-172.6-165.5-1.8108.9T6 E170 M175T6-R173 PolarHBondContact O-NH1 3.04Å; T6-R173 PolarHBondContact OG1-NH1 3.01Å; T6-R173 VanDerWaalsContact OG1-NH1 3.15Å; T6-R173 PolarHBondContact OG1-NH2 3.22Å; E170-R173 HydrophobicContact CG-CB 4.03Å; R173-M175 HydrophobicContact CB-CE 4.3Å; R173-M175 HydrophobicContact CB-CG 3.93Å; R173-M175 HydrophobicContact CB-SD 4.09Å; R173-M175 PolarHBondContact O-N 2.87Å; R173-M175 VanDerWaalsContact O-N 3.13Å
174N90Very high81.6Confident113 Ų11374.2 Ų74.260%0.60439%0.386SS*.  trans-79.897.2174.7-177.75000109.4C50 N51C50-N174 CarbonylContact C-O 3.51Å; C50-N174 VanDerWaalsContact CA-O 3.3Å; C50-N174 WeakPolarHBondContact CA-O 3.49Å; N51-N174 PolarHBondContact N-O 2.99Å; N51-N174 WeakPolarHBondContact OD1-CB 3.35Å; N51-N174 PolarHBondContact OD1-N 3.3Å
175M91Very high79.3Confident4 Ų476 Ų762%0.0240%0.4CS..EExtended strand (participates in β ladder)trans-112.7141.9-175.4-65.8178.7-56.300112.9Y8 I48 S49 C50 L167 E170 R173Y8-M175 HydrophobicContact CD1-CE 3.95Å; Y8-M175 HydrophobicContact CD1-SD 4.02Å; Y8-M175 HydrophobicContact CD2-CE 3.81Å; Y8-M175 HydrophobicContact CD2-SD 3.63Å; Y8-M175 HydrophobicContact CE1-CE 3.74Å; Y8-M175 HydrophobicContact CE1-SD 4.42Å; Y8-M175 HydrophobicContact CE2-CE 3.6Å; Y8-M175 HydrophobicContact CE2-SD 4.07Å; Y8-M175 HydrophobicContact CG-CE 3.97Å; Y8-M175 HydrophobicContact CG-SD 3.59Å; Y8-M175 VanDerWaalsContact CG-SD 3.59Å; I48-M175 HydrophobicContact CD1-CG 4.39Å; I48-M175 HydrophobicContact CD1-SD 4.05Å; S49-M175 CarbonylContact O-C 3.39Å; S49-M175 WeakPolarHBondContact O-CA 3.24Å; C50-M175 HydrophobicContact CB-CG 3.86Å; L167-M175 HydrophobicContact CB-CB 4.06Å; L167-M175 HydrophobicContact CD2-CB 4.15Å; L167-M175 HydrophobicContact CD2-CE 3.79Å; L167-M175 HydrophobicContact CD2-SD 4.11Å; E170-M175 HydrophobicContact CB-CE 3.3Å; E170-M175 HydrophobicContact CG-CE 3.39Å; R173-M175 HydrophobicContact CB-CE 4.3Å; R173-M175 HydrophobicContact CB-CG 3.93Å; R173-M175 HydrophobicContact CB-SD 4.09Å; R173-M175 PolarHBondContact O-N 2.87Å; R173-M175 VanDerWaalsContact O-N 3.13Å
176T92.1Very high77.2Confident65 Ų6587.1 Ų87.140%0.39944%0.442SS..EExtended strand (participates in β ladder)trans-146.7155.1176.153.90000110.5I48 S49I48-T176 WeakPolarHBondContact CB-O 3.48Å; S49-T176 PolarHBondContact N-O 2.75Å; S49-T176 PolarHBondContact O-N 2.93Å
177L90.7Very high75.2Confident10 Ų1089.1 Ų89.15%0.05245%0.45CS..EExtended strand (participates in β ladder)trans-69.4143.4169.1-58.3-176.2000109.9F27 I48 K160 Q164 L167 E180F27-L177 HydrophobicContact CE2-CD1 3.7Å; F27-L177 HydrophobicContact CE2-CD2 4.24Å; F27-L177 HydrophobicContact CZ-CD1 4.05Å; F27-L177 HydrophobicContact CZ-CD2 3.72Å; I48-L177 HydrophobicContact CG2-CD2 3.84Å; K160-L177 HydrophobicContact CD-CD1 4.38Å; K160-L177 HydrophobicContact CG-CD1 3.66Å; Q164-L177 HydrophobicContact CG-CD1 3.45Å; Q164-L177 VanDerWaalsContact CG-CD1 3.45Å; Q164-L177 HydrophobicContact CG-CG 3.93Å; L167-L177 HydrophobicContact CD1-CD2 3.58Å; L167-L177 HydrophobicContact CD1-CG 4.3Å; L177-E180 HydrophobicContact CB-CG 4.16Å
178V85.4Confident73.3Confident89 Ų8993.2 Ų93.254%0.53948%0.475SS..THydrogen-bonded Turntrans-66.8138.3175.91800000109.8V47V47-V178 HydrophobicContact CG1-CG2 4.04Å
179G71.9Confident71.5Confident77 Ų7792.4 Ų92.479%0.79448%0.48SS*.THydrogen-bonded Turntrans88.712.7175.200000115.3
180E60.5Low70.3Confident66 Ų6694.2 Ų94.231%0.30849%0.487SS..  trans-109.5125-178.1-61.1-151.5117.500114.8K160 Q164 L177K160-E180 WeakPolarHBondContact CD-OE1 3.36Å; K160-E180 VanDerWaalsContact CE-CD 3.44Å; K160-E180 WeakPolarHBondContact CE-OE1 3.42Å; K160-E180 VanDerWaalsContact NZ-CD 3.33Å; K160-E180 IonicContact NZ-OE1 3.7Å; K160-E180 PolarHBondContact NZ-OE1 3.02Å; Q164-E180 WeakPolarHBondContact CG-OE2 3.49Å; Q164-E180 PolarHBondContact NE2-OE1 3.08Å; Q164-E180 PolarHBondContact NE2-OE2 3.18Å; L177-E180 HydrophobicContact CB-CG 4.16Å
181T46.6Very low68.6Low141 Ų14196.6 Ų96.687%0.86550%0.497SS*.  trans-79.9137.5161.2-28.80000108.5S183T181-S183 PolarHBondContact O-N 3.03Å
182K49.1Very low66.6Low209 Ų209101.1 Ų101.191%0.90951%0.508SS*.  trans-53.696.8-175.2-65.1178.6179.51770112.1
183S47.8Very low64.5Low89 Ų89104.8 Ų104.862%0.62252%0.522SS*.  trans-81.7131.6171.5-173.80000110.7T181 S185T181-S183 PolarHBondContact O-N 3.03Å; S183-S185 PolarHBondContact O-N 3.4Å; S183-S185 VanDerWaalsContact O-N 3.11Å
184R49.5Very low62.1Low247 Ų247113 Ų11393%0.93255%0.553SS**  trans-78.684.9176.8-74.6-179.868.9138.1-1.1109.8
185S48.5Very low59.7Low55 Ų55113.3 Ų113.339%0.38556%0.561SS.*  trans-71.1138.6167-175.40000110.5S183 F187S183-S185 PolarHBondContact O-N 3.4Å; S183-S185 VanDerWaalsContact O-N 3.11Å; S185-F187 PolarHBondContact O-N 2.53Å
186R53.8Low57.1Low249 Ų249120.7 Ų120.794%0.9460%0.6SS**  trans-76.238.4174.6-80.1-172.6-74152-3.7112.2
187F55.1Low54.4Low43 Ų43126.8 Ų126.819%0.18962%0.624CS.*  trans-67.2134.2-174.1-178-114000111.7M118 F148 M149 E165 M169 S185M118-F187 HydrophobicContact CE-CE2 3.91Å; M118-F187 HydrophobicContact CE-CZ 4.06Å; M118-F187 HydrophobicContact SD-CE2 4.41Å; M118-F187 HydrophobicContact SD-CZ 3.95Å; F148-F187 WeakPolarHBondContact O-CE2 3.41Å; M149-F187 HydrophobicContact CE-CD2 3.93Å; M149-F187 HydrophobicContact CE-CE2 4.19Å; E165-F187 HydrophobicContact CB-CE1 4.39Å; E165-F187 HydrophobicContact CB-CZ 4.33Å; E165-F187 HydrophobicContact CG-CD1 4.28Å; E165-F187 HydrophobicContact CG-CD2 4.18Å; E165-F187 HydrophobicContact CG-CE2 4.45Å; E165-F187 HydrophobicContact CG-CG 4.09Å; E165-F187 WeakPolarHBondContact OE2-CD1 3.2Å; M169-F187 HydrophobicContact SD-CE1 4.41Å; M169-F187 HydrophobicContact SD-CZ 4.43Å; S185-F187 PolarHBondContact O-N 2.53Å
188V56.4Low51.7Low88 Ų88132.1 Ų132.153%0.53366%0.658SS.*  trans-97.5104.6171.7-177.10000107.3F190V188-F190 HydrophobicContact CB-CZ 4.5Å; V188-F190 HydrophobicContact CG1-CD1 4.34Å; V188-F190 HydrophobicContact CG1-CE1 3.59Å; V188-F190 HydrophobicContact CG1-CE2 4.06Å; V188-F190 HydrophobicContact CG1-CZ 3.42Å; V188-F190 VanDerWaalsContact CG1-CZ 3.42Å
189S55.5Low49.2Very low63 Ų63136.1 Ų136.144%0.44167%0.671SS.*BIsolated β-bridgetrans-94.9133.3169.567.80000109.6F191S189-F191 VanDerWaalsContact C-N 3.31Å
190F70.3Confident47.4Very low60 Ų60138.7 Ų138.726%0.26367%0.671SS.*  trans-937.2172.4-60.2-66.3000112.6Q142 V188 K192Q142-F190 HydrophobicContact CB-CD2 4.42Å; Q142-F190 HydrophobicContact CB-CE2 4.47Å; Q142-F190 HydrophobicContact CG-CD1 3.71Å; Q142-F190 HydrophobicContact CG-CD2 3.63Å; Q142-F190 HydrophobicContact CG-CE1 3.44Å; Q142-F190 VanDerWaalsContact CG-CE1 3.44Å; Q142-F190 HydrophobicContact CG-CE2 3.35Å; Q142-F190 HydrophobicContact CG-CG 3.81Å; Q142-F190 HydrophobicContact CG-CZ 3.25Å; Q142-F190 VanDerWaalsContact NE2-CE1 3.26Å; V188-F190 HydrophobicContact CB-CZ 4.5Å; V188-F190 HydrophobicContact CG1-CD1 4.34Å; V188-F190 HydrophobicContact CG1-CE1 3.59Å; V188-F190 HydrophobicContact CG1-CE2 4.06Å; V188-F190 HydrophobicContact CG1-CZ 3.42Å; V188-F190 VanDerWaalsContact CG1-CZ 3.42Å; F190-K192 PolarHBondContact O-N 2.73Å
191F58Low46.1Very low58 Ų58142.2 Ų142.225%0.25469%0.692SS.*  trans-73.8112.9173.1-81.4-89.2000110.7K145 M169 S189 R193K145-F191 WeakPolarHBondContact O-CE2 3.32Å; K145-F191 WeakPolarHBondContact O-CZ 3.21Å; M169-F191 HydrophobicContact CE-CD2 3.75Å; M169-F191 HydrophobicContact CE-CE2 3.1Å; M169-F191 HydrophobicContact CE-CZ 3.7Å; M169-F191 HydrophobicContact SD-CD2 4.32Å; M169-F191 HydrophobicContact SD-CE2 4.19Å; S189-F191 VanDerWaalsContact C-N 3.31Å; F191-R193 PolarHBondContact O-N 3.08Å; F191-R193 VanDerWaalsContact O-N 3.14Å
192K49.3Very low45.8Very low203 Ų203144.2 Ų144.288%0.88369%0.691SS**  trans-70.7103.9164.2-77.5-173175.6-177.40109F190 R194F190-K192 PolarHBondContact O-N 2.73Å; K192-R194 PolarHBondContact O-N 3.18Å
193R45.2Very low45.2Very low210 Ų210140.6 Ų140.679%0.79269%0.687SS**PPolyproline II helixtrans-63.7116.4158.5-74.8-177177173.3-0.7107.5F191F191-R193 PolarHBondContact O-N 3.08Å; F191-R193 VanDerWaalsContact O-N 3.14Å
194R37.8Very low44.7Very low233 Ų233143.9 Ų143.988%0.87970%0.696SS**PPolyproline II helixtrans-74.4136.1163.9-71.7-171.7-175.3-177.91.2108.3K192K192-R194 PolarHBondContact O-N 3.18Å
195P39.3Very low44Very low120 Ų120135.8 Ų135.878%0.77969%0.689SS**PPolyproline II helixtrans-63.6141.6165.8-11.926.1000109.7E197P195-E197 PolarHBondContact O-N 3.03Å
196N36.4Very low43.5Very low159 Ų159139 Ų13985%0.8571%0.706SS**  trans-68.9112.7167.6-86.9-8.6000108.6T198N196-T198 PolarHBondContact O-N 3.34Å
197E35.8Very low42.8Very low193 Ų193132.7 Ų132.790%0.90270%0.695SS**  trans-69.6116.4162.3-77.6174.3168.900108.3P195 Q199P195-E197 PolarHBondContact O-N 3.03Å; E197-Q199 PolarHBondContact O-N 3.11Å
198T34.1Very low41.9Very low122 Ų122137.3 Ų137.375%0.74872%0.722SS**  trans-79.7116.2172.2-47.40000106.7N196 T200N196-T198 PolarHBondContact O-N 3.34Å; T198-T200 PolarHBondContact O-N 3.44Å
199Q31.8Very low41.1Very low174 Ų174139.8 Ų139.881%0.81374%0.737SS**  trans-64.5111.2169.8-75.4176.419.400108.8E197E197-Q199 PolarHBondContact O-N 3.11Å
200T34.5Very low40.2Very low130 Ų130140.5 Ų140.580%0.79876%0.755SS**  trans-100.599.7158.551.90000107.6T198T198-T200 PolarHBondContact O-N 3.44Å
201N33.9Very low38.7Very low141 Ų141145 Ų14575%0.75479%0.787SS**  trans-78.3116.9158-77.4-26.4000106.8
202E39.7Very low37.7Very low182 Ų182146 Ų14685%0.8581%0.813SS**  trans-162.1106.4148.6-111169.4-150.300110.9
203T37.3Very low37.2Very low134 Ų134141.6 Ų141.682%0.82281%0.808SS**  trans61.4121.5135.2-38.50000120.9
204I35.9Very low37.2Very low157 Ų157136.5 Ų136.581%0.80581%0.805SS**  trans-59.7131.4173.7-64.6162.8000112V206I204-V206 HydrophobicContact CG2-CG2 4.13Å
205G36Very low37.3Very low77 Ų77133.4 Ų133.479%0.79481%0.806SS**  trans-144.4123.3163.700000109.6
206V36.9Very low37Very low123 Ų123130.7 Ų130.775%0.74580%0.799SS**  trans-95.5152.4-167.3-168.80000111I204I204-V206 HydrophobicContact CG2-CG2 4.13Å
207V40.1Very low37.1Very low117 Ų117129.6 Ų129.671%0.70980%0.799SS**  trans115.6108.8143.7-173.10000116.9
208N36Very low37Very low140 Ų140125.5 Ų125.575%0.74979%0.787SS**  trans42.3141.6134.6-66.2-6000120.1
209T39.9Very low37Very low139 Ų139128.9 Ų128.985%0.85379%0.791SS**  cis-178.9154.134.915.30000106.5
210G36.4Very low37Very low79 Ų79127.4 Ų127.481%0.81479%0.789SS**  trans149.4103.6155.300000117.2
211V39.1Very low37Very low155 Ų155129.6 Ų129.694%0.93980%0.796SS**  trans-59.1147.1176.2177.60000114.4
212G36.9Very low37Very low77 Ų77127.2 Ų127.279%0.79479%0.79SS**  trans175109.4160.400000115.6
213S38.5Very low36.7Very low112 Ų112125.4 Ų125.478%0.78379%0.792SS**  trans-77.8168-171.3-78.20000118
214S45.7Very low36.6Very low102 Ų102123.8 Ų123.871%0.71379%0.786SS**  trans89.5143.6147.576.50000117.7
215N38.7Very low36.5Very low169 Ų169123.3 Ų123.390%0.90478%0.784SS**  cis-169.8152-7-100.6-15.5000107.4
216G34.4Very low36.4Very low62 Ų62125.7 Ų125.764%0.63978%0.783SS**  trans133.7101.6154.600000115.8
217T36.6Very low36.2Very low137 Ų137126.8 Ų126.884%0.8478%0.784SS**  62.6125.286.356.50000113.4
218T34.7Very low35.7Very low107 Ų107125.8 Ų125.866%0.65679%0.788SS**  cis-170.5167.412.8-57.40000109.1
219F33.5Very low35.6Very low192 Ų192127.4 Ų127.484%0.84280%0.796SS**  trans104.586.9152.4-74.1-71.6000118.9
220N32.2Very low35.2Very low144 Ų144128.3 Ų128.377%0.7780%0.795SS**  trans-77.4139.3150.8-70.9-28.4000110
221N34.5Very low35.1Very low175 Ų175131.3 Ų131.394%0.93679%0.79SS**  trans-142.2112.1143.1-131.74.3000108.8
222S33.9Very low35Very low91 Ų91129.6 Ų129.664%0.63678%0.782SS**  trans-105.2127.3-170-48.30000109.6
223T32.9Very low34.9Very low145 Ų145135.7 Ų135.789%0.8979%0.787SS**  trans-146.890.3149.443.80000108.4
224S34.9Very low34.7Very low99 Ų99139.4 Ų139.469%0.69279%0.792SS**  trans-99.7108.8162.754.70000108V226S224-V226 PolarHBondContact O-N 3.32Å
225I35.6Very low34.1Very low148 Ų148142 Ų14276%0.75980%0.796SS**  trans-86.1105161.4-64.8177000106
226V33.9Very low33.5Very low127 Ų127139.2 Ų139.277%0.7779%0.79SS**  trans-101.192.4168.9-77.90000106.9S224 A228S224-V226 PolarHBondContact O-N 3.32Å; V226-A228 PolarHBondContact O-N 3.42Å
227D31Very low33.4Very low146 Ų146142.2 Ų142.278%0.78180%0.796SS**  trans-84.6115.6168.3-78.6-28.7000109.4
228A30.6Very low33.3Very low96 Ų96141.5 Ų141.579%0.79379%0.792SS**  trans-65.7126.8172.800000110.1V226V226-A228 PolarHBondContact O-N 3.42Å
229L33.8Very low32.9Very low174 Ų174145.2 Ų145.291%0.91180%0.802SS**  trans-103.8101.9158-78.3170.7000107.8
230D31.7Very low33Very low157 Ų157145.6 Ų145.684%0.8481%0.806SS**PPolyproline II helixtrans-62.4124.1169.9-157.510.2000109.3
231M33.8Very low32.9Very low142 Ų142150.4 Ų150.470%0.781%0.813SS**PPolyproline II helixtrans-97.7133.8171-78.2-152.696.400109.5K233M231-K233 PolarHBondContact O-N 2.91Å
232P37.1Very low32.9Very low120 Ų120147.6 Ų147.678%0.77981%0.807SS**PPolyproline II helixtrans-69.9127.4-17925.9-31.4000112
233K35.6Very low33.1Very low204 Ų204149.6 Ų149.689%0.88782%0.816SS**PPolyproline II helixtrans-65.2135.2169.6-74.7-179.4177.1177.70110.6M231M231-K233 PolarHBondContact O-N 2.91Å
234Q33.9Very low33.3Very low190 Ų190147.9 Ų147.989%0.88882%0.816SS**PPolyproline II helixtrans-67.1138.5175-70.7-157.6-10.400112.5
235I32.3Very low33.4Very low158 Ų158147 Ų14781%0.8182%0.823SS**PPolyproline II helixtrans-83.8122.4169.6-64.4168.4000108.3
236S26.8Very low33.4Very low110 Ų110146.7 Ų146.777%0.76983%0.828SS**PPolyproline II helixtrans-89.7132.3168.958.10000110.3
237T32.6Very low33.6Very low125 Ų125145.8 Ų145.877%0.76783%0.827SS**  trans-117.9103.5170.2-20.30000110.9
238T33.1Very low33.8Very low122 Ų122147.5 Ų147.575%0.74883%0.828SS**  trans44.8115.3135.3-37.40000120.8
239Q28.1Very low34.1Very low185 Ų185150.3 Ų150.386%0.86483%0.829SS**  trans-72.2139.5159.3-78.7176.6-17.600111.5
240E35.2Very low34Very low200 Ų200147.8 Ų147.894%0.93582%0.822SS**  trans-115.1138.9151.4-82-171161.200110.7
241R29Very low34.2Very low245 Ų245152.1 Ų152.193%0.92583%0.826SS**  trans-104.3136.8-172.2-127.1178.7-176.3-175.91108.1
242S36Very low34.1Very low116 Ų116151.6 Ų151.681%0.81183%0.831SS**  trans-149.9112.114953.50000113
243T37.5Very low33.8Very low133 Ų133151 Ų15182%0.81683%0.83SS**  trans9.1126.4149.454.10000123.5
244A36.6Very low33.9Very low109 Ų109146.8 Ų146.890%0.90183%0.826SS**  75125.7122.600000121.4
245G37.5Very low33.8Very low80 Ų80147.1 Ų147.183%0.82582%0.824SS**  trans164.793.9163.800000113.2
246T34.8Very low33.8Very low142 Ų142147 Ų14787%0.87183%0.825SS**  trans-64.5137.6178.441.50000114.4
247S38.8Very low34Very low107 Ų107151 Ų15175%0.74883%0.828SS**  161.1135.1107.9-159.90000112.8
248K35.6Very low33.8Very low182 Ų182156.3 Ų156.379%0.79183%0.834SS**  trans8.8123.9157.5-61175.1178.7177.90118.8
249D36.4Very low33.9Very low155 Ų155159.7 Ų159.783%0.82984%0.839SS**  -173.7150.7107.1-91.8-25.5000114.1
250T31.6Very low34.1Very low122 Ų122156.9 Ų156.975%0.74883%0.829SS**  trans-56.4135.8-176.6500000115
251R36.6Very low33.7Very low247 Ų247152.4 Ų152.493%0.93282%0.82SS**  178.4146.5128.8-102.5169.1174.7-175.7-1.3114.7
252T31.4Very low34.1Very low132 Ų132147.9 Ų147.981%0.8181%0.812SS**  trans-62.5150.7-179.8-24.10000114.2
253S31.3Very low34Very low108 Ų108151 Ų15176%0.75581%0.811SS**  trans65.3105.2151.6-177.20000118.9
254S36.2Very low33.7Very low114 Ų114151.3 Ų151.380%0.79781%0.814SS**  173.5120.3107.741.90000110.6
255K32.2Very low33.6Very low198 Ų198156 Ų15686%0.86181%0.809SS**  trans-63.8127.4161.6-69.6171174.8173.60107.4
256L32.5Very low33.3Very low156 Ų156157.2 Ų157.282%0.81781%0.805SS**  trans167.4142130.9-103.5129.2000112.8
257K30.6Very low33.7Very low193 Ų193159.2 Ų159.284%0.83981%0.805SS**  trans80.690.5160.4-64178.4-176.2-175.10117.7
258R28.8Very low33.6Very low236 Ų236158.8 Ų158.889%0.89180%0.801SS**  trans-135.5129.9133-126.7171.5-176.11520.1105.7
259F34.6Very low33.6Very low194 Ų194157 Ų15785%0.85181%0.806SS**  trans-177.4113.1130.6-110.3-110.9000109.8
260L33.1Very low33.6Very low125 Ų125152.7 Ų152.765%0.65480%0.798SS**  trans61.2101.2151.6-77.193.8000122.1
261S27.1Very low33.8Very low107 Ų107153.4 Ų153.475%0.74880%0.803SS**  trans-53.6131.7135.5147.50000110.6
262I37.4Very low33.7Very low149 Ų149147.3 Ų147.376%0.76479%0.793SS**  trans-120.6121.4160.7-67.6178.8000107.1
263K33.8Very low34.1Very low181 Ų181150.4 Ų150.479%0.78780%0.795SS**  trans-62.7133.3176.5-73.4173.9170.4-179.80110.8
264T30.7Very low34.3Very low141 Ų141153 Ų15387%0.86580%0.795SS**  trans-71.5123.9160.2-30.60000108.3
265Y34Very low34.5Very low207 Ų207155.6 Ų155.681%0.81280%0.8SS**  trans-91.2115.3167.1-123.6-97.5000107.8
266S30.9Very low34.8Very low106 Ų106154.7 Ų154.774%0.74180%0.796SS**  trans-94.712516553.40000108.2
267E44.9Very low35.3Very low184 Ų184154 Ų15486%0.8679%0.793SS**  trans-101.7134.7164.5-81-177.1167.500110.3
268S36.1Very low36Very low97 Ų97153 Ų15368%0.67879%0.789SS**  trans-112145.7-168.950.40000111.3
269T34.7Very low36.7Very low146 Ų146148.2 Ų148.290%0.89678%0.781SS**  trans75.3128.9138.754.90000122.6
270G37Very low37.2Very low63 Ų63148.2 Ų148.265%0.64978%0.781SS**  trans149.288.6147.900000113.3
271T35.8Very low37.6Very low138 Ų138146.1 Ų146.185%0.84778%0.781SS**  47.3132.199.158.10000114.5
272V35Very low38.7Very low119 Ų119149.6 Ų149.672%0.72179%0.786SS**  cis179.3145.422134.80000106.3
273K39.9Very low39.3Very low197 Ų197152.7 Ų152.786%0.85781%0.812SS**  154.3134.5126.3-111.7154.6-170.9-170.20114.4
274E34.8Very low39.5Very low163 Ų163151.3 Ų151.376%0.76281%0.814SS**  trans-58.2151.6172-63.3165120.600112.9
275D40.9Very low40Very low168 Ų168151.8 Ų151.890%0.89881%0.811SS**  -158145124-108.6-27.7000113.4
276K39Very low40.3Very low178 Ų178148.8 Ų148.877%0.77481%0.811SS**  trans-87.4144.1-171.3-63.1171.3177172.20112.1
277N42.5Very low40.9Very low142 Ų142151.3 Ų151.376%0.75982%0.815SS**  trans177.7113.9135.2-104.4-21.3000108.7
278K44.4Very low40.6Very low172 Ų172149.3 Ų149.375%0.74881%0.812SS**  84.3132.285.6-89.8-166.3-180-1760113.6
279D44.6Very low40.9Very low136 Ų136152.7 Ų152.773%0.72782%0.821SS**  trans76.7131.8156.3-64.8-12.6000116
280F44.3Very low41.4Very low193 Ų193153.2 Ų153.285%0.84682%0.816SS**  cis-163.2156.629.5-146.3-110.1000109.2
281A42.6Very low41.7Very low81 Ų81160.2 Ų160.267%0.66983%0.828SS**  trans-72.1156-176.900000115
282Q48.9Very low42.2Very low180 Ų180162 Ų16284%0.84183%0.827SS**  163.8112.2124.2-91.3177.48.800111.7
283T50Low42.9Very low215 Ų215165.9 Ų165.9100%1.31984%0.836SS**  154.90125.8-48.30000108.8

Retrieved 283 of 283 residues in 253.6 ms (Link to these results)

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