A0A096MRH7_PAPAN Loading...

Nucleoside diphosphate kinase homolog 5

AlphaFold DB , UniProt , Accession A0A096MRH7, Species PAPAN (Papio anubis, Olive baboon), Gene NME5, Length 212 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
1M44.6Very low55.5Low239 Ų239144.3 Ų144.3100%1.17777%0.768SS**  0106.60-79-179.2-179.100106.6I3M1-I3 PolarHBondContact O-N 3.36Å
2E43Very low58.1Low197 Ų197137.3 Ų137.392%0.92173%0.734SS**  trans-66.2119.6172.1-78.6175.1154.500108.1S4E2-S4 VanDerWaalsContact C-N 3.31Å; E2-S4 PolarHBondContact O-N 3.21Å
3I48.2Very low60.8Low157 Ų157128.4 Ų128.481%0.80569%0.686SS**  trans-71.696.9170.9-59.7168.7000104.8M1 M5M1-I3 PolarHBondContact O-N 3.36Å; I3-M5 VanDerWaalsContact C-N 3.33Å; I3-M5 PolarHBondContact O-N 3.13Å
4S54.6Low63.3Low108 Ų108121.5 Ų121.576%0.75565%0.647SS**  trans-54.399.7169.3165.80000107.7E2E2-S4 VanDerWaalsContact C-N 3.31Å; E2-S4 PolarHBondContact O-N 3.21Å
5M47.5Very low65.6Low160 Ų160113.4 Ų113.479%0.78860%0.604SS**PPolyproline II helixtrans-59.3129.3170.7-77.9-171.15400107.8I3I3-M5 VanDerWaalsContact C-N 3.33Å; I3-M5 PolarHBondContact O-N 3.13Å
6P62.7Low67.7Low104 Ų104106.3 Ų106.368%0.67557%0.566SS**PPolyproline II helixtrans-57.8145174.524.4-31.5000108.9
7P56.3Low69.5Low109 Ų109100.1 Ų100.171%0.70853%0.533SS*.PPolyproline II helixtrans-54.9146.5179.423.8-33.1000109.9Q9P7-Q9 PolarHBondContact O-N 2.96Å
8P58.3Low71.1Confident121 Ų12194.5 Ų94.579%0.78650%0.503SS*.  trans-58.2114.8179.223.3-31.8000109.2I10P8-I10 PolarHBondContact O-N 3.18Å
9Q58.4Low72.5Confident160 Ų16089.5 Ų89.575%0.74848%0.477SS*.  trans-81.3104.4177.8-156.4166.77.500107.5P7 Y11P7-Q9 PolarHBondContact O-N 2.96Å; Q9-Y11 PolarHBondContact O-N 3.25Å; Q9-Y11 VanDerWaalsContact O-N 3.11Å
10I64.9Low73.8Confident146 Ų14685.6 Ų85.675%0.74946%0.455SS*.  trans-77.898177.2-60.4173.8000107.2P8 V12P8-I10 PolarHBondContact O-N 3.18Å; I10-V12 HydrophobicContact CG2-CG2 4.33Å
11Y72.6Confident75Confident86 Ų8682.6 Ų82.634%0.33744%0.441SS..PPolyproline II helixtrans-79.6119.6173179.4-112.4000110Q9 E13 E149Q9-Y11 PolarHBondContact O-N 3.25Å; Q9-Y11 VanDerWaalsContact O-N 3.11Å; Y11-E13 HydrophobicContact CE1-CB 4.37Å; Y11-E149 HydrophobicContact CD2-CB 4.05Å; Y11-E149 HydrophobicContact CE2-CB 3.82Å; Y11-E149 WeakPolarHBondContact CE2-O 3.27Å; Y11-E149 PolarHBondContact OH-O 3.15Å
12V86.8Confident77.4Confident60 Ų6073.8 Ų73.836%0.36440%0.398SS..PPolyproline II helixtrans-102117171.4-1750000108I10 A85I10-V12 HydrophobicContact CG2-CG2 4.33Å; V12-A85 HydrophobicContact CG1-CB 4.02Å
13E92.7Very high80Confident22 Ų2265 Ų6510%0.10336%0.358CS..PPolyproline II helixtrans-58.3138.9178.6-179.8179.8124.200111.2Y11 A85 R86 K88 A89 I90 F132Y11-E13 HydrophobicContact CE1-CB 4.37Å; E13-A85 WeakPolarHBondContact O-CA 3.44Å; E13-R86 PolarHBondContact O-N 2.94Å; E13-R86 VanDerWaalsContact O-N 3.1Å; E13-R86 VanDerWaalsContact O-O 3.05Å; E13-K88 WeakPolarHBondContact OE1-CA 3.28Å; E13-A89 HydrophobicContact CB-CB 4.34Å; E13-A89 HydrophobicContact CG-CB 4.11Å; E13-A89 WeakPolarHBondContact O-CB 3.21Å; E13-A89 PolarHBondContact OE1-N 2.88Å; E13-I90 HydrophobicContact CG-CD1 4.29Å; E13-I90 HydrophobicContact CG-CG1 4.35Å; E13-I90 VanDerWaalsContact OE1-CB 3.32Å; E13-I90 WeakPolarHBondContact OE1-CB 3.36Å; E13-I90 WeakPolarHBondContact OE1-CG1 3.42Å; E13-I90 PolarHBondContact OE1-N 2.81Å; E13-F132 HydrophobicContact CB-CE1 4.33Å; E13-F132 HydrophobicContact CG-CD1 4.25Å; E13-F132 HydrophobicContact CG-CE1 3.51Å; E13-F132 HydrophobicContact CG-CZ 4.18Å; E13-F132 WeakPolarHBondContact OE2-CE1 3.23Å; E13-F132 WeakPolarHBondContact OE2-CZ 3.49Å
14K95.8Very high82.4Confident32 Ų3258.2 Ų58.214%0.13932%0.323CS..EExtended strand (participates in β ladder)trans-117.4145178.8-66.3166.8-172.7159.70109.8I83 L84 A85 I139K14-I83 HydrophobicContact CB-CG2 4.1Å; K14-I83 HydrophobicContact CD-CG2 4.25Å; K14-I83 HydrophobicContact CG-CG2 4.22Å; K14-L84 CarbonylContact C-O 3.45Å; K14-L84 WeakPolarHBondContact CA-O 3.43Å; K14-A85 HydrophobicContact CG-CB 4.22Å; K14-I139 HydrophobicContact CB-CD1 3.99Å
15T97.9Very high84.4Confident0 Ų058.7 Ų58.70%032%0.317CS..EExtended strand (participates in β ladder)trans-135.1155.3173.4-170.20000110.5L84 A89 W93T15-L84 HydrophobicContact CG2-CB 3.97Å; T15-L84 PolarHBondContact N-O 2.83Å; T15-L84 PolarHBondContact O-N 3.16Å; T15-A89 HydrophobicContact CG2-CB 4Å; T15-W93 HydrophobicContact CG2-CB 3.92Å; T15-W93 HydrophobicContact CG2-CG 4.17Å
16L98.4Very high86.8Confident0 Ų055 Ų550%030%0.297CS..EExtended strand (participates in β ladder)trans-85.7131.4170.6-172.472.2000109.8I18 F57 G128 S129 E138 I139 M142 F143L16-I18 HydrophobicContact CD2-CD1 3.79Å; L16-I18 HydrophobicContact CD2-CG1 3.79Å; L16-I18 HydrophobicContact CG-CG1 4.06Å; L16-F57 HydrophobicContact CD2-CE2 3.99Å; L16-F57 HydrophobicContact CD2-CZ 3.86Å; L16-G128 WeakPolarHBondContact O-CA 3.31Å; L16-S129 WeakPolarHBondContact CB-OG 3.33Å; L16-S129 PolarHBondContact N-OG 3.21Å; L16-E138 HydrophobicContact CB-CB 4.21Å; L16-E138 HydrophobicContact CD2-CB 3.64Å; L16-I139 HydrophobicContact CB-CG1 4.07Å; L16-I139 HydrophobicContact CD1-CG1 4.39Å; L16-M142 HydrophobicContact CD1-CB 4.24Å; L16-M142 HydrophobicContact CD1-CG 4.19Å; L16-M142 HydrophobicContact CD2-CG 3.91Å; L16-F143 HydrophobicContact CD1-CD2 4.37Å; L16-F143 HydrophobicContact CD1-CE2 3.84Å
17A98.6Very high88.5Confident0 Ų050.9 Ų50.90%027%0.269CS..EExtended strand (participates in β ladder)trans-111.6138.3163.400000110T81 M82 L84 W93A17-T81 CarbonylContact O-C 3.48Å; A17-T81 WeakPolarHBondContact O-CA 3.25Å; A17-M82 HydrophobicContact CB-CB 4.38Å; A17-M82 PolarHBondContact N-O 3.46Å; A17-M82 PolarHBondContact O-N 3.21Å; A17-L84 HydrophobicContact CB-CD1 3.59Å; A17-L84 HydrophobicContact CB-CD2 4.47Å; A17-L84 HydrophobicContact CB-CG 3.83Å; A17-W93 HydrophobicContact CB-CD2 4.48Å; A17-W93 HydrophobicContact CB-CH2 4.34Å; A17-W93 HydrophobicContact CB-CZ2 3.54Å
18I98.7Very high90.5Very high0 Ų053.3 Ų53.30%027%0.27CS..EExtended strand (participates in β ladder)trans-128128.6171.8-48.4177.3000109.4L16 F57 M74 L79 V80 T81 L126 H127 M142L16-I18 HydrophobicContact CD2-CD1 3.79Å; L16-I18 HydrophobicContact CD2-CG1 3.79Å; L16-I18 HydrophobicContact CG-CG1 4.06Å; I18-F57 HydrophobicContact CD1-CE1 3.87Å; I18-F57 HydrophobicContact CD1-CE2 4.5Å; I18-F57 HydrophobicContact CD1-CZ 3.64Å; I18-M74 HydrophobicContact CG2-CE 4.3Å; I18-L79 HydrophobicContact CG2-CB 4.37Å; I18-L79 HydrophobicContact CG2-CD1 3.99Å; I18-L79 HydrophobicContact CG2-CD2 4.38Å; I18-L79 HydrophobicContact CG2-CG 4.5Å; I18-V80 CarbonylContact C-O 3.56Å; I18-V80 VanDerWaalsContact CA-O 3.3Å; I18-V80 WeakPolarHBondContact CA-O 3.21Å; I18-T81 HydrophobicContact CG1-CG2 4.03Å; I18-T81 HydrophobicContact CG2-CG2 4.26Å; I18-L126 VanDerWaalsContact O-CA 3.28Å; I18-L126 WeakPolarHBondContact O-CA 3.29Å; I18-H127 HydrophobicContact CB-CB 4.04Å; I18-H127 HydrophobicContact CD1-CB 4.3Å; I18-H127 HydrophobicContact CG1-CB 4.34Å; I18-H127 PolarHBondContact N-O 2.97Å; I18-H127 VanDerWaalsContact N-O 3.1Å; I18-H127 PolarHBondContact O-N 3.39Å; I18-M142 HydrophobicContact CD1-CE 3.84Å
19I98.7Very high92.4Very high0 Ų051.9 Ų51.90%025%0.253CS..EExtended strand (participates in β ladder)trans-88.7116.6163.9-58.4178.1000107.4I23 V24 E27 I30 L79 V80 M82 L126I19-I23 HydrophobicContact CG2-CD1 3.57Å; I19-I23 HydrophobicContact CG2-CG1 3.9Å; I19-V24 HydrophobicContact CG2-CG2 4.29Å; I19-E27 HydrophobicContact CD1-CB 4.19Å; I19-E27 HydrophobicContact CD1-CG 4.26Å; I19-I30 HydrophobicContact CD1-CB 4.23Å; I19-I30 HydrophobicContact CD1-CD1 4.37Å; I19-I30 HydrophobicContact CD1-CG2 4.05Å; I19-I30 HydrophobicContact CG1-CG2 4.35Å; I19-I30 HydrophobicContact CG2-CD1 4.48Å; I19-L79 WeakPolarHBondContact O-CA 3.37Å; I19-L79 WeakPolarHBondContact O-CB 3.25Å; I19-V80 HydrophobicContact CB-CB 4.09Å; I19-V80 HydrophobicContact CD1-CB 4.31Å; I19-V80 HydrophobicContact CD1-CG1 4.5Å; I19-V80 HydrophobicContact CG1-CB 4.47Å; I19-V80 PolarHBondContact N-O 2.91Å; I19-V80 PolarHBondContact O-N 2.79Å; I19-V80 VanDerWaalsContact O-N 3.09Å; I19-M82 HydrophobicContact CD1-CE 3.61Å; I19-M82 HydrophobicContact CG1-CE 3.85Å; I19-L126 HydrophobicContact CB-CD2 4.33Å; I19-L126 HydrophobicContact CG1-CD2 3.77Å
20K98.4Very high94.3Very high11 Ų1144.3 Ų44.35%0.04822%0.218CC..  trans-74.7162.8-174.5-65.2-173.5168.9-173.20111.9D22 I23 V24 Y73 M74 L122 N124 A125K20-D22 WeakPolarHBondContact CB-OD1 3.29Å; K20-D22 PolarHBondContact O-N 3.37Å; K20-D22 VanDerWaalsContact O-N 3.11Å; K20-I23 PolarHBondContact O-N 3.19Å; K20-V24 WeakPolarHBondContact O-CG2 3.31Å; K20-Y73 HydrophobicContact CD-CE1 3.88Å; K20-M74 HydrophobicContact CB-SD 4.33Å; K20-M74 HydrophobicContact CD-SD 3.91Å; K20-M74 HydrophobicContact CG-CE 4.24Å; K20-M74 HydrophobicContact CG-SD 3.82Å; K20-L122 PolarHBondContact NZ-O 2.98Å; K20-N124 VanDerWaalsContact CE-OD1 3.3Å; K20-N124 WeakPolarHBondContact CE-OD1 3.44Å; K20-N124 PolarHBondContact NZ-OD1 2.89Å; K20-A125 VanDerWaalsContact CB-O 3.24Å; K20-A125 WeakPolarHBondContact CB-O 3.13Å; K20-A125 WeakPolarHBondContact CG-O 3.17Å; K20-A125 PolarHBondContact N-O 3.18Å
21P98.1Very high95.9Very high23 Ų2339.3 Ų39.315%0.14919%0.191CC..G310 helixtrans-58.8-27.5-169.4-28.336.5000116.5I23 P78 L79P21-I23 VanDerWaalsContact C-N 3.32Å; P21-I23 PolarHBondContact O-N 2.95Å; P21-P78 VanDerWaalsContact CA-O 3.28Å; P21-P78 WeakPolarHBondContact CA-O 3.45Å; P21-L79 HydrophobicContact CG-CB 4.38Å
22D95.3Very high97.1Very high54 Ų5439.2 Ų39.229%0.28920%0.197SC..G310 helixtrans-71.5-21.7-176.459.5-28.9000114.6K20 Y73K20-D22 WeakPolarHBondContact CB-OD1 3.29Å; K20-D22 PolarHBondContact O-N 3.37Å; K20-D22 VanDerWaalsContact O-N 3.11Å; D22-Y73 HydrophobicContact CB-CE2 4.45Å; D22-Y73 PolarHBondContact OD1-OH 2.96Å; D22-Y73 PolarHBondContact OD2-OH 2.93Å
23I97.5Very high97.7Very high13 Ų1338.1 Ų38.17%0.06719%0.188CC..G310 helixtrans-130.821.4-172.161.9126.6000113.5I19 K20 P21 D25 K26 I30 A125 L126I19-I23 HydrophobicContact CG2-CD1 3.57Å; I19-I23 HydrophobicContact CG2-CG1 3.9Å; K20-I23 PolarHBondContact O-N 3.19Å; P21-I23 VanDerWaalsContact C-N 3.32Å; P21-I23 PolarHBondContact O-N 2.95Å; I23-D25 PolarHBondContact O-N 3.11Å; I23-K26 HydrophobicContact CB-CG 4.42Å; I23-K26 WeakPolarHBondContact O-CB 3.37Å; I23-K26 PolarHBondContact O-N 3.33Å; I23-I30 HydrophobicContact CD1-CD1 3.32Å; I23-A125 HydrophobicContact CD1-CB 3.68Å; I23-A125 HydrophobicContact CG1-CB 3.83Å; I23-A125 HydrophobicContact CG2-CB 4.26Å; I23-L126 HydrophobicContact CD1-CD2 4.4Å; I23-L126 HydrophobicContact CD1-CG 4.43Å
24V97.4Very high98Very high13 Ų1337.1 Ų37.18%0.07918%0.184CC..G310 helixtrans-62-24.4179172.90000112.7I19 K20 K26 E27 P78 V80I19-V24 HydrophobicContact CG2-CG2 4.29Å; K20-V24 WeakPolarHBondContact O-CG2 3.31Å; V24-K26 PolarHBondContact O-N 3.49Å; V24-E27 WeakPolarHBondContact O-CB 3.38Å; V24-E27 PolarHBondContact O-N 2.99Å; V24-P78 VanDerWaalsContact CG2-O 3.28Å; V24-P78 WeakPolarHBondContact CG2-O 3.45Å; V24-V80 HydrophobicContact CG1-CG2 4.05Å
25D97.3Very high98.1Very high118 Ų11839.8 Ų39.863%0.63120%0.199SC*.G310 helixtrans-66.5-19.3172.766.2-62.1000113.1I23 E27I23-D25 PolarHBondContact O-N 3.11Å; D25-E27 VanDerWaalsContact C-N 3.29Å
26K98.2Very high98.1Very high82 Ų8248.9 Ų48.936%0.35723%0.233SC..G310 helixtrans-89.69.5175.9-54.4-55.4-179.6-171.70113.8I23 V24 E28 E29 I30 Y117I23-K26 HydrophobicContact CB-CG 4.42Å; I23-K26 WeakPolarHBondContact O-CB 3.37Å; I23-K26 PolarHBondContact O-N 3.33Å; V24-K26 PolarHBondContact O-N 3.49Å; K26-E28 PolarHBondContact O-N 2.94Å; K26-E29 PolarHBondContact O-N 3.33Å; K26-I30 HydrophobicContact CB-CD1 3.95Å; K26-I30 HydrophobicContact CB-CG1 4.43Å; K26-I30 WeakPolarHBondContact O-CG1 3.28Å; K26-I30 PolarHBondContact O-N 3.29Å; K26-Y117 HydrophobicContact CB-CE1 4.38Å; K26-Y117 HydrophobicContact CG-CD1 4.31Å; K26-Y117 HydrophobicContact CG-CE1 4.37Å
27E97.9Very high98.1Very high19 Ų1950.5 Ų50.59%0.08925%0.245CC..Hα-helixtrans-53.9-46.7-174.5166171.1-150.400113.9I19 V24 D25 I30 Q31 R44 V80I19-E27 HydrophobicContact CD1-CB 4.19Å; I19-E27 HydrophobicContact CD1-CG 4.26Å; V24-E27 WeakPolarHBondContact O-CB 3.38Å; V24-E27 PolarHBondContact O-N 2.99Å; D25-E27 VanDerWaalsContact C-N 3.29Å; E27-I30 PolarHBondContact O-N 3.41Å; E27-Q31 WeakPolarHBondContact O-CG 3.41Å; E27-Q31 PolarHBondContact O-N 2.83Å; E27-Q31 PolarHBondContact OE1-NE2 3.12Å; E27-Q31 VanDerWaalsContact OE1-NE2 3.16Å; E27-R44 IonicContact OE1-CZ 2.69Å; E27-R44 IonicContact OE1-NE 3.03Å; E27-R44 PolarHBondContact OE1-NE 3.33Å; E27-R44 IonicContact OE1-NH2 3.1Å; E27-R44 PolarHBondContact OE1-NH2 2.93Å; E27-R44 IonicContact OE2-NH2 3.39Å; E27-R44 PolarHBondContact OE2-NH2 3.45Å; E27-R44 VanDerWaalsContact OE2-NH2 3.1Å; E27-V80 HydrophobicContact CG-CG2 4.45Å; E27-V80 WeakPolarHBondContact OE1-CG1 3.45Å; E27-V80 WeakPolarHBondContact OE1-CG2 3.4Å
28E98.2Very high98Very high160 Ų16052.8 Ų52.875%0.74827%0.268SS*.Hα-helixtrans-64.5-44.8-177.8-65.3-177.4173.200111.4K26 I30 Q31 D32K26-E28 PolarHBondContact O-N 2.94Å; E28-I30 PolarHBondContact O-N 3.26Å; E28-Q31 PolarHBondContact O-N 3.43Å; E28-D32 PolarHBondContact O-N 2.87Å
29E98.4Very high98Very high91 Ų9153.1 Ų53.143%0.42527%0.27SS..Hα-helixtrans-60.9-44.4178.2-172.5-174.7157.400111.7K26 D32 I33 Y117K26-E29 PolarHBondContact O-N 3.33Å; E29-D32 PolarHBondContact O-N 3.08Å; E29-I33 WeakPolarHBondContact O-CG1 3.47Å; E29-I33 PolarHBondContact O-N 2.9Å; E29-Y117 PolarHBondContact OE1-OH 3.42Å
30I98.5Very high98Very high0 Ų057.4 Ų57.40%030%0.296CS..Hα-helixtrans-67.8-39.2179.3-67.6166.2000111I19 I23 K26 E27 E28 D32 I33 I34 Y117 L126I19-I30 HydrophobicContact CD1-CB 4.23Å; I19-I30 HydrophobicContact CD1-CD1 4.37Å; I19-I30 HydrophobicContact CD1-CG2 4.05Å; I19-I30 HydrophobicContact CG1-CG2 4.35Å; I19-I30 HydrophobicContact CG2-CD1 4.48Å; I23-I30 HydrophobicContact CD1-CD1 3.32Å; K26-I30 HydrophobicContact CB-CD1 3.95Å; K26-I30 HydrophobicContact CB-CG1 4.43Å; K26-I30 WeakPolarHBondContact O-CG1 3.28Å; K26-I30 PolarHBondContact O-N 3.29Å; E27-I30 PolarHBondContact O-N 3.41Å; E28-I30 PolarHBondContact O-N 3.26Å; I30-D32 VanDerWaalsContact C-N 3.33Å; I30-D32 PolarHBondContact O-N 3.41Å; I30-I33 PolarHBondContact O-N 3Å; I30-I34 HydrophobicContact CG2-CD1 3.87Å; I30-I34 HydrophobicContact CG2-CG1 4.41Å; I30-I34 VanDerWaalsContact O-CG1 3.27Å; I30-I34 WeakPolarHBondContact O-CG1 3.49Å; I30-I34 PolarHBondContact O-N 2.94Å; I30-Y117 HydrophobicContact CD1-CD2 4.41Å; I30-Y117 HydrophobicContact CD1-CE2 4.44Å; I30-Y117 HydrophobicContact CG1-CD2 4.4Å; I30-Y117 HydrophobicContact CG1-CE2 3.96Å; I30-L126 HydrophobicContact CD1-CD2 4.37Å; I30-L126 HydrophobicContact CG2-CD2 4.23Å
31Q98.4Very high97.9Very high41 Ų4158.8 Ų58.819%0.19230%0.303CS..Hα-helixtrans-61.1-43.2174.1-77.9-177.859.400111.6E27 E28 I33 I34 L35 I41 M82E27-Q31 WeakPolarHBondContact O-CG 3.41Å; E27-Q31 PolarHBondContact O-N 2.83Å; E27-Q31 PolarHBondContact OE1-NE2 3.12Å; E27-Q31 VanDerWaalsContact OE1-NE2 3.16Å; E28-Q31 PolarHBondContact O-N 3.43Å; Q31-I33 VanDerWaalsContact C-N 3.28Å; Q31-I33 PolarHBondContact O-N 3.36Å; Q31-I34 WeakPolarHBondContact O-CB 3.42Å; Q31-I34 PolarHBondContact O-N 3.48Å; Q31-L35 WeakPolarHBondContact O-CG 3.44Å; Q31-L35 PolarHBondContact O-N 2.87Å; Q31-I41 HydrophobicContact CB-CD1 4.23Å; Q31-I41 HydrophobicContact CG-CD1 3.99Å; Q31-M82 HydrophobicContact CG-SD 3.85Å
32D98.5Very high97.8Very high84 Ų8461.2 Ų61.245%0.44932%0.318SS..Hα-helixtrans-63-35.6176.7-75.8-14.8000112.4E28 E29 I30 R36E28-D32 PolarHBondContact O-N 2.87Å; E29-D32 PolarHBondContact O-N 3.08Å; I30-D32 VanDerWaalsContact C-N 3.33Å; I30-D32 PolarHBondContact O-N 3.41Å; D32-R36 WeakPolarHBondContact O-CB 3.38Å; D32-R36 VanDerWaalsContact O-CG 3.27Å; D32-R36 WeakPolarHBondContact O-CG 3.32Å; D32-R36 PolarHBondContact O-N 2.69Å; D32-R36 VanDerWaalsContact O-N 3.07Å; D32-R36 PolarHBondContact O-NE 2.81Å; D32-R36 VanDerWaalsContact O-NE 3.09Å
33I98.6Very high97.9Very high38 Ų3862.6 Ų62.620%0.19532%0.323CS..Hα-helixtrans-66.5-48.7173.9-64.9164000109.9E29 I30 Q31 L35 R36 S37 L96 L113 Y117E29-I33 WeakPolarHBondContact O-CG1 3.47Å; E29-I33 PolarHBondContact O-N 2.9Å; I30-I33 PolarHBondContact O-N 3Å; Q31-I33 VanDerWaalsContact C-N 3.28Å; Q31-I33 PolarHBondContact O-N 3.36Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 3.41Å; I33-R36 PolarHBondContact O-N 3.2Å; I33-R36 VanDerWaalsContact O-N 3.16Å; I33-S37 WeakPolarHBondContact O-CB 3.47Å; I33-S37 PolarHBondContact O-N 3.15Å; I33-S37 PolarHBondContact O-OG 3.26Å; I33-L96 HydrophobicContact CG2-CD1 4.46Å; I33-L96 HydrophobicContact CG2-CD2 4.43Å; I33-L113 HydrophobicContact CD1-CD2 3.91Å; I33-L113 HydrophobicContact CG2-CD2 4.04Å; I33-Y117 HydrophobicContact CD1-CE2 4.32Å; I33-Y117 WeakPolarHBondContact CD1-OH 3.29Å
34I98.6Very high97.9Very high0 Ų067.4 Ų67.40%034%0.34CS..Hα-helixtrans-53.4-48.3178.2-72.9166.6000111.1I30 Q31 S37 F39 I41 M82 L84 W93I30-I34 HydrophobicContact CG2-CD1 3.87Å; I30-I34 HydrophobicContact CG2-CG1 4.41Å; I30-I34 VanDerWaalsContact O-CG1 3.27Å; I30-I34 WeakPolarHBondContact O-CG1 3.49Å; I30-I34 PolarHBondContact O-N 2.94Å; Q31-I34 WeakPolarHBondContact O-CB 3.42Å; Q31-I34 PolarHBondContact O-N 3.48Å; I34-S37 PolarHBondContact O-N 2.93Å; I34-F39 HydrophobicContact CG2-CB 3.65Å; I34-F39 HydrophobicContact CG2-CD2 4.45Å; I34-F39 HydrophobicContact CG2-CG 4.27Å; I34-F39 PolarHBondContact O-N 2.98Å; I34-I41 HydrophobicContact CG2-CD1 4.27Å; I34-I41 HydrophobicContact CG2-CG1 4Å; I34-M82 HydrophobicContact CD1-CE 3.87Å; I34-M82 HydrophobicContact CD1-SD 4.32Å; I34-L84 HydrophobicContact CD1-CD1 4.38Å; I34-L84 HydrophobicContact CD1-CD2 4.49Å; I34-L84 HydrophobicContact CG2-CD1 4.11Å; I34-L84 HydrophobicContact CG2-CD2 3.73Å; I34-W93 HydrophobicContact CD1-CH2 4.03Å; I34-W93 HydrophobicContact CD1-CZ3 4.12Å; I34-W93 HydrophobicContact CG1-CH2 4.15Å; I34-W93 HydrophobicContact CG1-CZ3 3.76Å
35L98.5Very high97.8Very high89 Ų8973 Ų7347%0.46636%0.36SS..Hα-helixtrans-64.5-44.5179.3-67.6172.9000111.7Q31 I33 S37 G38 I41Q31-L35 WeakPolarHBondContact O-CG 3.44Å; Q31-L35 PolarHBondContact O-N 2.87Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 3.41Å; L35-S37 PolarHBondContact O-N 3.1Å; L35-G38 PolarHBondContact O-N 3.39Å; L35-I41 HydrophobicContact CD2-CD1 4.16Å; L35-I41 HydrophobicContact CD2-CG1 4.21Å; L35-I41 HydrophobicContact CG-CD1 4.26Å
36R98.3Very high97.8Very high191 Ų19172.5 Ų72.572%0.72135%0.352SS*.Hα-helixtrans-65.5-27.5176.5-76.5-177.4-86.7-172.4-6.6113D32 I33 G38D32-R36 WeakPolarHBondContact O-CB 3.38Å; D32-R36 VanDerWaalsContact O-CG 3.27Å; D32-R36 WeakPolarHBondContact O-CG 3.32Å; D32-R36 PolarHBondContact O-N 2.69Å; D32-R36 VanDerWaalsContact O-N 3.07Å; D32-R36 PolarHBondContact O-NE 2.81Å; D32-R36 VanDerWaalsContact O-NE 3.09Å; I33-R36 PolarHBondContact O-N 3.2Å; I33-R36 VanDerWaalsContact O-N 3.16Å; R36-G38 PolarHBondContact O-N 3.38Å
37S97.7Very high97.7Very high34 Ų3469.7 Ų69.724%0.23834%0.341CS..THydrogen-bonded Turntrans-76.32.4172.6-61.30000113.6I33 I34 L35 R86 L96I33-S37 WeakPolarHBondContact O-CB 3.47Å; I33-S37 PolarHBondContact O-N 3.15Å; I33-S37 PolarHBondContact O-OG 3.26Å; I34-S37 PolarHBondContact O-N 2.93Å; L35-S37 PolarHBondContact O-N 3.1Å; S37-R86 VanDerWaalsContact O-CZ 3.27Å; S37-R86 PolarHBondContact O-NH1 3.26Å; S37-L96 WeakPolarHBondContact OG-CD2 3.27Å
38G97.6Very high97.6Very high48 Ų4874.2 Ų74.250%0.49536%0.362SS..THydrogen-bonded Turntrans84.318.1173.400000114.5L35 R36L35-G38 PolarHBondContact O-N 3.39Å; R36-G38 PolarHBondContact O-N 3.38Å
39F98.4Very high97.5Very high6 Ų667.2 Ų67.23%0.02633%0.329CS..  trans-84.3151169-71.7-89.5000111.3I34 L84 R86 A89 W93 L96I34-F39 HydrophobicContact CG2-CB 3.65Å; I34-F39 HydrophobicContact CG2-CD2 4.45Å; I34-F39 HydrophobicContact CG2-CG 4.27Å; I34-F39 PolarHBondContact O-N 2.98Å; F39-L84 HydrophobicContact CD1-CB 3.77Å; F39-L84 HydrophobicContact CD1-CD1 4.23Å; F39-L84 HydrophobicContact CE1-CB 4.34Å; F39-L84 HydrophobicContact CG-CB 4.46Å; F39-L84 HydrophobicContact CG-CD1 4.44Å; F39-R86 HydrophobicContact CD1-CB 3.62Å; F39-R86 HydrophobicContact CD1-CG 4.43Å; F39-R86 HydrophobicContact CE1-CB 3.8Å; F39-R86 HydrophobicContact CG-CB 4.37Å; F39-A89 HydrophobicContact CE1-CB 4Å; F39-A89 WeakPolarHBondContact CE1-O 3.4Å; F39-W93 HydrophobicContact CE1-CB 4.31Å; F39-W93 HydrophobicContact CZ-CB 3.97Å; F39-L96 HydrophobicContact CE2-CD2 4.47Å
40T97.8Very high97.4Very high91 Ų9164.9 Ų64.956%0.55832%0.323SS*.EExtended strand (participates in β ladder)trans-100.2129.7161.7-610000109V42 L84 A85T40-V42 PolarHBondContact O-N 3.31Å; T40-L84 CarbonylContact O-C 3.53Å; T40-L84 WeakPolarHBondContact O-CA 3.38Å; T40-A85 PolarHBondContact N-O 3.35Å; T40-A85 PolarHBondContact O-N 3.4Å
41I97.8Very high97.3Very high39 Ų3968.6 Ų68.620%0.235%0.347CS..EExtended strand (participates in β ladder)trans-84.1105.9170-58.2171.7000107.4Q31 I34 L35 R44 M82 L84Q31-I41 HydrophobicContact CB-CD1 4.23Å; Q31-I41 HydrophobicContact CG-CD1 3.99Å; I34-I41 HydrophobicContact CG2-CD1 4.27Å; I34-I41 HydrophobicContact CG2-CG1 4Å; L35-I41 HydrophobicContact CD2-CD1 4.16Å; L35-I41 HydrophobicContact CD2-CG1 4.21Å; L35-I41 HydrophobicContact CG-CD1 4.26Å; I41-R44 HydrophobicContact CG2-CB 4.36Å; I41-M82 HydrophobicContact CD1-SD 4.06Å; I41-M82 HydrophobicContact CG2-CB 4.36Å; I41-M82 HydrophobicContact CG2-CG 4.21Å; I41-M82 HydrophobicContact CG2-SD 4.37Å; I41-L84 HydrophobicContact CG1-CD2 3.87Å
42V95.9Very high97.1Very high74 Ų7473.4 Ų73.445%0.44837%0.369SS..EExtended strand (participates in β ladder)trans-76.4-43.9-177.5178.70000110.9T40 I83 A85T40-V42 PolarHBondContact O-N 3.31Å; V42-I83 HydrophobicContact CB-CB 4.14Å; V42-I83 HydrophobicContact CB-CG2 4.06Å; V42-I83 HydrophobicContact CG2-CG2 4.38Å; V42-I83 PolarHBondContact N-O 2.99Å; V42-A85 HydrophobicContact CG2-CB 3.48Å; V42-A85 VanDerWaalsContact CG2-CB 3.48Å
43Q96.7Very high96.9Very high84 Ų8473.5 Ų73.539%0.39337%0.367SS..EExtended strand (participates in β ladder)trans-149.5152.6177.1-160.6170.320.100109.7M82 I83 F143Q43-M82 CarbonylContact O-C 3.59Å; Q43-M82 VanDerWaalsContact O-CA 3.25Å; Q43-M82 WeakPolarHBondContact O-CA 3.26Å; Q43-I83 HydrophobicContact CB-CD1 4.08Å; Q43-I83 HydrophobicContact CB-CG1 4.35Å; Q43-I83 PolarHBondContact O-N 3.31Å; Q43-F143 HydrophobicContact CB-CD1 4.36Å; Q43-F143 HydrophobicContact CB-CE1 4.12Å; Q43-F143 HydrophobicContact CG-CD1 3.99Å; Q43-F143 HydrophobicContact CG-CE1 3.82Å; Q43-F143 VanDerWaalsContact OE1-CD1 3.29Å
44R96.9Very high96.8Very high114 Ų11471.7 Ų71.743%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-137.4141.8179.2175.4-165.8162.2-98.2-1109.4E27 I41 V80 T81 M82E27-R44 IonicContact OE1-CZ 2.69Å; E27-R44 IonicContact OE1-NE 3.03Å; E27-R44 PolarHBondContact OE1-NE 3.33Å; E27-R44 IonicContact OE1-NH2 3.1Å; E27-R44 PolarHBondContact OE1-NH2 2.93Å; E27-R44 IonicContact OE2-NH2 3.39Å; E27-R44 PolarHBondContact OE2-NH2 3.45Å; E27-R44 VanDerWaalsContact OE2-NH2 3.1Å; I41-R44 HydrophobicContact CG2-CB 4.36Å; R44-V80 HydrophobicContact CG-CG1 4.08Å; R44-T81 CarbonylContact C-O 3.58Å; R44-T81 WeakPolarHBondContact CA-O 3.46Å; R44-M82 HydrophobicContact CB-CG 4.06Å; R44-M82 HydrophobicContact CG-CG 3.95Å
45R95.3Very high96.6Very high130 Ų13073.4 Ų73.449%0.49137%0.37SS..EExtended strand (participates in β ladder)trans-145138.1171.6-174.6176.9179.3-171.83.2110.9L47 V80 T81 M142 F143R45-L47 HydrophobicContact CG-CD2 4.21Å; R45-V80 WeakPolarHBondContact O-CA 3.13Å; R45-T81 PolarHBondContact N-O 2.71Å; R45-T81 PolarHBondContact O-N 3.47Å; R45-T81 PolarHBondContact O-OG1 2.95Å; R45-M142 PolarHBondContact NH1-O 3.14Å; R45-F143 HydrophobicContact CB-CE1 3.74Å; R45-F143 HydrophobicContact CB-CZ 4.18Å
46K97.4Very high96.4Very high108 Ų10873.5 Ų73.547%0.4737%0.371SS..EExtended strand (participates in β ladder)trans-99131.1166.3-170.5167-175.5161.50108.6L79 V80K46-L79 WeakPolarHBondContact CA-O 3.15Å; K46-V80 HydrophobicContact CB-CG2 4.27Å; K46-V80 HydrophobicContact CD-CG2 4.22Å; K46-V80 HydrophobicContact CG-CG2 4.02Å
47L95.4Very high96.3Very high23 Ų2365.5 Ų65.512%0.1234%0.341CS..EExtended strand (participates in β ladder)trans-151.2163.2-174.66286.4000111R45 L49 P78 L79 T81 M142R45-L47 HydrophobicContact CG-CD2 4.21Å; L47-L49 HydrophobicContact CD1-CD1 4.28Å; L47-L49 HydrophobicContact CD1-CD2 3.35Å; L47-L49 HydrophobicContact CD1-CG 3.4Å; L47-P78 CarbonylContact O-C 3.55Å; L47-P78 WeakPolarHBondContact O-CA 3.46Å; L47-L79 HydrophobicContact CD1-CD1 3.45Å; L47-L79 VanDerWaalsContact CD1-CD1 3.45Å; L47-L79 HydrophobicContact CD1-CD2 4.38Å; L47-L79 HydrophobicContact CD1-CG 3.89Å; L47-L79 HydrophobicContact CD2-CD1 4.48Å; L47-L79 HydrophobicContact CG-CD1 3.73Å; L47-L79 HydrophobicContact CG-CG 4.49Å; L47-L79 PolarHBondContact N-O 2.71Å; L47-L79 PolarHBondContact O-N 3.28Å; L47-L79 VanDerWaalsContact O-O 3.13Å; L47-T81 HydrophobicContact CD2-CG2 4.18Å; L47-M142 HydrophobicContact CD2-SD 4.07Å
48H97.3Very high96.1Very high114 Ų11464.7 Ų64.753%0.52833%0.333SS..  trans-125.8111.4174-173.3172000107.3S75 G77H48-S75 PolarHBondContact NE2-O 3.43Å; H48-G77 PolarHBondContact CD2-O 2.94Å; H48-G77 VanDerWaalsContact CD2-O 3.24Å
49L95.6Very high95.9Very high12 Ų1266.8 Ų66.86%0.06334%0.336CS..  trans-81.1141.7-179.7-64.4-179.3000111.3L47 Q53 C54 S75 L79 F141 M142L47-L49 HydrophobicContact CD1-CD1 4.28Å; L47-L49 HydrophobicContact CD1-CD2 3.35Å; L47-L49 HydrophobicContact CD1-CG 3.4Å; L49-Q53 HydrophobicContact CB-CB 4.12Å; L49-Q53 HydrophobicContact CD2-CB 4.05Å; L49-C54 WeakPolarHBondContact CB-SG 3.49Å; L49-S75 WeakPolarHBondContact O-CA 3.44Å; L49-S75 VanDerWaalsContact O-CB 3.25Å; L49-S75 WeakPolarHBondContact O-CB 3.34Å; L49-L79 HydrophobicContact CD1-CD2 4.09Å; L49-L79 HydrophobicContact CG-CD2 4.26Å; L49-F141 HydrophobicContact CD2-CE1 4.43Å; L49-M142 HydrophobicContact CD1-CE 3.89Å
50S96.8Very high95.5Very high43 Ų4371.5 Ų71.530%0.30136%0.358SS..  trans-69.9159.8166.476.70000110.9E52 Q53 C54S50-E52 PolarHBondContact O-N 2.87Å; S50-E52 PolarHBondContact OG-N 3.3Å; S50-Q53 PolarHBondContact O-N 3.16Å; S50-Q53 VanDerWaalsContact O-N 3.1Å; S50-Q53 WeakPolarHBondContact OG-CG 3.35Å; S50-Q53 PolarHBondContact OG-N 3.45Å; S50-Q53 VanDerWaalsContact OG-N 3.14Å; S50-C54 PolarHBondContact O-N 3.14Å
51P95.4Very high95.2Very high77 Ų7769.1 Ų69.150%0.534%0.341SS..Hα-helixtrans-55.1-36172.8-2634000113.1C54 S55 T71P51-C54 PolarHBondContact O-N 3.19Å; P51-S55 WeakPolarHBondContact O-CB 3.44Å; P51-S55 PolarHBondContact O-N 3.24Å; P51-S55 PolarHBondContact O-OG 3.49Å; P51-T71 HydrophobicContact CB-CG2 4.18Å; P51-T71 WeakPolarHBondContact O-CG2 3.41Å
52E94.3Very high95Very high143 Ų14376 Ų7667%0.66837%0.365SS*.Hα-helixtrans-65.9-44.9176.2-174.5-176.317800111.4S50 C54 S55 N56S50-E52 PolarHBondContact O-N 2.87Å; S50-E52 PolarHBondContact OG-N 3.3Å; E52-C54 PolarHBondContact O-N 2.91Å; E52-S55 WeakPolarHBondContact O-CB 3.47Å; E52-S55 PolarHBondContact O-N 2.86Å; E52-N56 PolarHBondContact O-N 3.44Å; E52-N56 PolarHBondContact O-ND2 2.95Å
53Q94.7Very high94.8Very high85 Ų8575.8 Ų75.840%0.39738%0.378SS..Hα-helixtrans-62.9-41.8175.9-71.2171.8-34.700111.6L49 S50 S55 N56 F57 F141L49-Q53 HydrophobicContact CB-CB 4.12Å; L49-Q53 HydrophobicContact CD2-CB 4.05Å; S50-Q53 PolarHBondContact O-N 3.16Å; S50-Q53 VanDerWaalsContact O-N 3.1Å; S50-Q53 WeakPolarHBondContact OG-CG 3.35Å; S50-Q53 PolarHBondContact OG-N 3.45Å; S50-Q53 VanDerWaalsContact OG-N 3.14Å; Q53-S55 VanDerWaalsContact C-N 3.34Å; Q53-S55 PolarHBondContact O-N 3.39Å; Q53-N56 PolarHBondContact O-N 2.82Å; Q53-F57 WeakPolarHBondContact O-CB 3.43Å; Q53-F57 PolarHBondContact O-N 3.48Å; Q53-F141 HydrophobicContact CB-CZ 4.29Å; Q53-F141 WeakPolarHBondContact O-CZ 3.32Å
54C96.5Very high94.7Very high0 Ų076.3 Ų76.30%038%0.379CS..Hα-helixtrans-61.9-41.1174-720000112.2L49 S50 P51 E52 N56 F57 Y58 T71 M74L49-C54 WeakPolarHBondContact CB-SG 3.49Å; S50-C54 PolarHBondContact O-N 3.14Å; P51-C54 PolarHBondContact O-N 3.19Å; E52-C54 PolarHBondContact O-N 2.91Å; C54-N56 VanDerWaalsContact C-N 3.34Å; C54-N56 PolarHBondContact O-N 3.19Å; C54-F57 PolarHBondContact O-N 3.45Å; C54-Y58 WeakPolarHBondContact O-CD2 3.29Å; C54-Y58 PolarHBondContact O-N 3.45Å; C54-T71 HydrophobicContact CB-CG2 3.8Å; C54-M74 HydrophobicContact CB-CB 4.36Å; C54-M74 VanDerWaalsContact SG-C 3.54Å
55S94.8Very high94.5Very high36 Ų3680 Ų8025%0.25240%0.404SS..Hα-helixtrans-61.8-44177.1-58.40000111.2P51 E52 Q53 Y58 V59 T71P51-S55 WeakPolarHBondContact O-CB 3.44Å; P51-S55 PolarHBondContact O-N 3.24Å; P51-S55 PolarHBondContact O-OG 3.49Å; E52-S55 WeakPolarHBondContact O-CB 3.47Å; E52-S55 PolarHBondContact O-N 2.86Å; Q53-S55 VanDerWaalsContact C-N 3.34Å; Q53-S55 PolarHBondContact O-N 3.39Å; S55-Y58 CarbonylContact O-C 3.57Å; S55-Y58 PolarHBondContact O-N 3.1Å; S55-V59 PolarHBondContact O-N 2.87Å; S55-V59 VanDerWaalsContact O-N 3.12Å; S55-T71 WeakPolarHBondContact OG-CG2 3.24Å
56N93.6Very high94.4Very high92 Ų9278.4 Ų78.449%0.49240%0.4SS..Hα-helixtrans-65.6-41.7177.4-69.9-19.8000111.9E52 Q53 C54 Y58 V59 F141E52-N56 PolarHBondContact O-N 3.44Å; E52-N56 PolarHBondContact O-ND2 2.95Å; Q53-N56 PolarHBondContact O-N 2.82Å; C54-N56 VanDerWaalsContact C-N 3.34Å; C54-N56 PolarHBondContact O-N 3.19Å; N56-Y58 VanDerWaalsContact C-N 3.35Å; N56-Y58 PolarHBondContact O-N 2.66Å; N56-V59 WeakPolarHBondContact O-CB 3.42Å; N56-V59 PolarHBondContact O-N 3.43Å; N56-F141 HydrophobicContact CB-CE2 4.15Å
57F95.3Very high94.3Very high22 Ų2274.2 Ų74.210%0.09638%0.382CS..Hα-helixtrans-63-40.8177-176.7-98.6000112L16 I18 Q53 C54 H127 E138 F141 M142L16-F57 HydrophobicContact CD2-CE2 3.99Å; L16-F57 HydrophobicContact CD2-CZ 3.86Å; I18-F57 HydrophobicContact CD1-CE1 3.87Å; I18-F57 HydrophobicContact CD1-CE2 4.5Å; I18-F57 HydrophobicContact CD1-CZ 3.64Å; Q53-F57 WeakPolarHBondContact O-CB 3.43Å; Q53-F57 PolarHBondContact O-N 3.48Å; C54-F57 PolarHBondContact O-N 3.45Å; F57-H127 AromaticContact CZ-NE2 3.96Å; F57-E138 HydrophobicContact CE2-CB 3.82Å; F57-E138 HydrophobicContact CE2-CG 3.7Å; F57-E138 HydrophobicContact CZ-CB 4.13Å; F57-E138 HydrophobicContact CZ-CG 3.76Å; F57-F141 HydrophobicContact CB-CD1 4.37Å; F57-F141 HydrophobicContact CB-CE1 3.94Å; F57-F141 HydrophobicContact CB-CE2 4.48Å; F57-F141 HydrophobicContact CB-CZ 4Å; F57-F141 HydrophobicContact CD2-CB 4.36Å; F57-F141 AromaticContact CD2-CD1 3.56Å; F57-F141 HydrophobicContact CD2-CD1 3.56Å; F57-F141 AromaticContact CD2-CE1 3.96Å; F57-F141 HydrophobicContact CD2-CE1 3.96Å; F57-F141 AromaticContact CD2-CG 3.95Å; F57-F141 HydrophobicContact CD2-CG 3.95Å; F57-F141 HydrophobicContact CE2-CD1 4.36Å; F57-F141 HydrophobicContact CG-CD1 4.38Å; F57-F141 HydrophobicContact CG-CE1 4.35Å; F57-M142 HydrophobicContact CD1-CE 4.46Å; F57-M142 HydrophobicContact CD2-CE 3.61Å; F57-M142 HydrophobicContact CE1-CE 4.39Å; F57-M142 HydrophobicContact CE2-CE 3.5Å; F57-M142 VanDerWaalsContact CE2-CE 3.5Å; F57-M142 HydrophobicContact CE2-CG 4.36Å; F57-M142 HydrophobicContact CG-CE 4.1Å; F57-M142 HydrophobicContact CZ-CE 3.93Å
58Y94.6Very high94.3Very high18 Ų1877 Ų777%0.07140%0.402CS..THydrogen-bonded Turntrans-96.525.1-179.7-69-67.9000113.9C54 S55 N56 E60 Q61 F67 L70 M74 H127C54-Y58 WeakPolarHBondContact O-CD2 3.29Å; C54-Y58 PolarHBondContact O-N 3.45Å; S55-Y58 CarbonylContact O-C 3.57Å; S55-Y58 PolarHBondContact O-N 3.1Å; N56-Y58 VanDerWaalsContact C-N 3.35Å; N56-Y58 PolarHBondContact O-N 2.66Å; Y58-E60 PolarHBondContact O-N 2.62Å; Y58-Q61 HydrophobicContact CD1-CG 4.46Å; Y58-Q61 WeakPolarHBondContact O-CA 3.37Å; Y58-Q61 WeakPolarHBondContact O-CB 3.45Å; Y58-Q61 PolarHBondContact O-N 3.15Å; Y58-F67 VanDerWaalsContact O-CE2 3.23Å; Y58-F67 WeakPolarHBondContact O-CE2 3.46Å; Y58-L70 HydrophobicContact CD1-CD2 3.73Å; Y58-L70 HydrophobicContact CD2-CD2 3.99Å; Y58-L70 HydrophobicContact CD2-CG 4.01Å; Y58-L70 HydrophobicContact CE1-CD2 4.16Å; Y58-L70 HydrophobicContact CE2-CD1 4.27Å; Y58-L70 HydrophobicContact CE2-CD2 4.42Å; Y58-L70 HydrophobicContact CE2-CG 4.23Å; Y58-L70 HydrophobicContact CG-CD2 3.63Å; Y58-L70 HydrophobicContact CG-CG 4.18Å; Y58-M74 HydrophobicContact CE2-CB 4.19Å; Y58-M74 HydrophobicContact CE2-CE 4.36Å; Y58-M74 HydrophobicContact CE2-CG 3.69Å; Y58-H127 AromaticContact CE1-ND1 3.97Å
59V92.6Very high94.3Very high91 Ų9176.6 Ų76.655%0.55240%0.404SS*.G310 helixtrans-55.2-32.2-17367.90000114S55 N56 Q61 Y62S55-V59 PolarHBondContact O-N 2.87Å; S55-V59 VanDerWaalsContact O-N 3.12Å; N56-V59 WeakPolarHBondContact O-CB 3.42Å; N56-V59 PolarHBondContact O-N 3.43Å; V59-Q61 PolarHBondContact O-N 3.37Å; V59-Y62 WeakPolarHBondContact O-CB 3.28Å; V59-Y62 PolarHBondContact O-N 3Å
60E90.6Very high94.3Very high106 Ų10676.7 Ų76.750%0.49540%0.404SS..G310 helixtrans-65.8-16.9175.9-65.8-178.5160.400113.7Y58 R137Y58-E60 PolarHBondContact O-N 2.62Å; E60-R137 IonicContact OE1-CZ 2.62Å; E60-R137 IonicContact OE1-NH1 2.74Å; E60-R137 PolarHBondContact OE1-NH1 3.5Å; E60-R137 IonicContact OE1-NH2 3.77Å; E60-R137 PolarHBondContact OE1-NH2 2.74Å; E60-R137 IonicContact OE2-NH2 2.88Å; E60-R137 PolarHBondContact OE2-NH2 2.88Å
61Q92.3Very high94.3Very high41 Ų4175.1 Ų75.119%0.19239%0.392CS..G310 helixtrans-92.5-0.6175.5-48.7-52.9-45.900112.1Y58 V59 K64 F66 F67 L70Y58-Q61 HydrophobicContact CD1-CG 4.46Å; Y58-Q61 WeakPolarHBondContact O-CA 3.37Å; Y58-Q61 WeakPolarHBondContact O-CB 3.45Å; Y58-Q61 PolarHBondContact O-N 3.15Å; V59-Q61 PolarHBondContact O-N 3.37Å; Q61-K64 HydrophobicContact CB-CD 4.42Å; Q61-K64 VanDerWaalsContact O-CB 3.32Å; Q61-K64 WeakPolarHBondContact O-CB 3.44Å; Q61-K64 WeakPolarHBondContact O-CG 3.43Å; Q61-K64 PolarHBondContact O-N 2.97Å; Q61-K64 VanDerWaalsContact O-N 3.15Å; Q61-F66 HydrophobicContact CB-CE2 4.34Å; Q61-F67 HydrophobicContact CB-CD2 3.82Å; Q61-F67 HydrophobicContact CB-CE2 4.44Å; Q61-F67 WeakPolarHBondContact O-CB 3.38Å; Q61-L70 HydrophobicContact CG-CD2 4.41Å
62Y91.9Very high94.5Very high183 Ų18374.2 Ų74.272%0.71839%0.392SS*.THydrogen-bonded Turntrans-55.8139.2178-176.8-97.8000111.5V59 K64 F67V59-Y62 WeakPolarHBondContact O-CB 3.28Å; V59-Y62 PolarHBondContact O-N 3Å; Y62-K64 VanDerWaalsContact C-N 3.28Å; Y62-K64 PolarHBondContact O-N 3.42Å; Y62-F67 HydrophobicContact CD2-CD1 4.27Å; Y62-F67 AromaticContact CD2-CE1 3.81Å; Y62-F67 HydrophobicContact CD2-CE1 3.81Å; Y62-F67 HydrophobicContact CD2-CZ 4.35Å
63G92.4Very high94.6Very high69 Ų6968.2 Ų68.271%0.71136%0.363SS*.THydrogen-bonded Turntrans83.2-9.6-176.800000115.1
64K94.1Very high94.8Very high96 Ų9664.3 Ų64.342%0.41735%0.345SS..SBendtrans-77.8142.9172-60-175.1-177.4-178.30110.7Q61 Y62 F66 F67Q61-K64 HydrophobicContact CB-CD 4.42Å; Q61-K64 VanDerWaalsContact O-CB 3.32Å; Q61-K64 WeakPolarHBondContact O-CB 3.44Å; Q61-K64 WeakPolarHBondContact O-CG 3.43Å; Q61-K64 PolarHBondContact O-N 2.97Å; Q61-K64 VanDerWaalsContact O-N 3.15Å; Y62-K64 VanDerWaalsContact C-N 3.28Å; Y62-K64 PolarHBondContact O-N 3.42Å; K64-F66 HydrophobicContact CB-CD1 4.03Å; K64-F66 HydrophobicContact CB-CE1 3.72Å; K64-F66 HydrophobicContact CB-CZ 4Å; K64-F66 HydrophobicContact CD-CE1 3.56Å; K64-F66 HydrophobicContact CD-CE2 4.41Å; K64-F66 HydrophobicContact CD-CZ 3.42Å; K64-F66 VanDerWaalsContact CD-CZ 3.42Å; K64-F66 HydrophobicContact CG-CE1 4.23Å; K64-F66 HydrophobicContact CG-CZ 4.34Å; K64-F66 PolarHBondContact O-N 2.82Å; K64-F66 VanDerWaalsContact O-N 3.11Å; K64-F67 VanDerWaalsContact O-CB 3.23Å; K64-F67 WeakPolarHBondContact O-CB 3.27Å; K64-F67 PolarHBondContact O-N 2.77Å
65M93.6Very high94.8Very high191 Ų19165 Ų6594%0.94135%0.35SS*.THydrogen-bonded Turntrans-57.9-30.7-176.6-64.7-173.4-160.100113.6
66F92.7Very high95Very high96 Ų9667.2 Ų67.242%0.42137%0.365SS..THydrogen-bonded Turntrans-84.1-8.7-18065-100.2000114Q61 K64 N69 L70Q61-F66 HydrophobicContact CB-CE2 4.34Å; K64-F66 HydrophobicContact CB-CD1 4.03Å; K64-F66 HydrophobicContact CB-CE1 3.72Å; K64-F66 HydrophobicContact CB-CZ 4Å; K64-F66 HydrophobicContact CD-CE1 3.56Å; K64-F66 HydrophobicContact CD-CE2 4.41Å; K64-F66 HydrophobicContact CD-CZ 3.42Å; K64-F66 VanDerWaalsContact CD-CZ 3.42Å; K64-F66 HydrophobicContact CG-CE1 4.23Å; K64-F66 HydrophobicContact CG-CZ 4.34Å; K64-F66 PolarHBondContact O-N 2.82Å; K64-F66 VanDerWaalsContact O-N 3.11Å; F66-N69 PolarHBondContact O-N 3.48Å; F66-N69 VanDerWaalsContact O-N 3.16Å; F66-L70 HydrophobicContact CD2-CB 4.37Å; F66-L70 HydrophobicContact CD2-CD2 4.48Å; F66-L70 HydrophobicContact CE2-CD2 4.23Å; F66-L70 PolarHBondContact O-N 2.8Å
67F95.1Very high95.2Very high20 Ų2063.2 Ų63.29%0.08835%0.346CS..Hα-helixtrans-58.8-43-173.3177.1-105.9000114.4Y58 Q61 Y62 K64 N69 L70 T71Y58-F67 VanDerWaalsContact O-CE2 3.23Å; Y58-F67 WeakPolarHBondContact O-CE2 3.46Å; Q61-F67 HydrophobicContact CB-CD2 3.82Å; Q61-F67 HydrophobicContact CB-CE2 4.44Å; Q61-F67 WeakPolarHBondContact O-CB 3.38Å; Y62-F67 HydrophobicContact CD2-CD1 4.27Å; Y62-F67 AromaticContact CD2-CE1 3.81Å; Y62-F67 HydrophobicContact CD2-CE1 3.81Å; Y62-F67 HydrophobicContact CD2-CZ 4.35Å; K64-F67 VanDerWaalsContact O-CB 3.23Å; K64-F67 WeakPolarHBondContact O-CB 3.27Å; K64-F67 PolarHBondContact O-N 2.77Å; F67-N69 VanDerWaalsContact C-N 3.32Å; F67-N69 PolarHBondContact O-N 3.11Å; F67-L70 PolarHBondContact O-N 3.19Å; F67-T71 PolarHBondContact O-N 2.92Å; F67-T71 PolarHBondContact O-OG1 3.44Å
68P96.6Very high95.3Very high82 Ų8265 Ų6553%0.53236%0.36SS..Hα-helixtrans-61.8-41.1175.8-23.735.3000112.3T71 A72P68-T71 PolarHBondContact O-N 2.79Å; P68-A72 WeakPolarHBondContact O-CB 3.25Å; P68-A72 PolarHBondContact O-N 3.29Å
69N96.8Very high95.5Very high106 Ų10664.2 Ų64.257%0.56736%0.357SS*.Hα-helixtrans-68-38.7178.5-67.2-19.1000111.6F66 F67 Y73 L122F66-N69 PolarHBondContact O-N 3.48Å; F66-N69 VanDerWaalsContact O-N 3.16Å; F67-N69 VanDerWaalsContact C-N 3.32Å; F67-N69 PolarHBondContact O-N 3.11Å; N69-Y73 WeakPolarHBondContact O-CB 3.41Å; N69-Y73 PolarHBondContact O-N 2.64Å; N69-L122 HydrophobicContact CB-CD2 4.31Å
70L96.3Very high95.8Very high14 Ų1459.9 Ų59.97%0.07333%0.33CS..Hα-helixtrans-58.9-47.7173.4177.161.5000111.7Y58 Q61 F66 F67 Y73 M74 L122Y58-L70 HydrophobicContact CD1-CD2 3.73Å; Y58-L70 HydrophobicContact CD2-CD2 3.99Å; Y58-L70 HydrophobicContact CD2-CG 4.01Å; Y58-L70 HydrophobicContact CE1-CD2 4.16Å; Y58-L70 HydrophobicContact CE2-CD1 4.27Å; Y58-L70 HydrophobicContact CE2-CD2 4.42Å; Y58-L70 HydrophobicContact CE2-CG 4.23Å; Y58-L70 HydrophobicContact CG-CD2 3.63Å; Y58-L70 HydrophobicContact CG-CG 4.18Å; Q61-L70 HydrophobicContact CG-CD2 4.41Å; F66-L70 HydrophobicContact CD2-CB 4.37Å; F66-L70 HydrophobicContact CD2-CD2 4.48Å; F66-L70 HydrophobicContact CE2-CD2 4.23Å; F66-L70 PolarHBondContact O-N 2.8Å; F67-L70 PolarHBondContact O-N 3.19Å; L70-Y73 PolarHBondContact O-N 3.05Å; L70-M74 HydrophobicContact CD1-CG 3.93Å; L70-M74 WeakPolarHBondContact O-CB 3.48Å; L70-M74 VanDerWaalsContact O-CG 3.3Å; L70-M74 WeakPolarHBondContact O-CG 3.38Å; L70-M74 PolarHBondContact O-N 3.24Å; L70-L122 HydrophobicContact CB-CD1 4.21Å; L70-L122 HydrophobicContact CD1-CD1 3.89Å
71T97.1Very high96.2Very high9 Ų954.8 Ų54.86%0.05531%0.307CS..Hα-helixtrans-64.1-48.5179.6-60.60000111.6P51 C54 S55 F67 P68 Y73 M74 S75P51-T71 HydrophobicContact CB-CG2 4.18Å; P51-T71 WeakPolarHBondContact O-CG2 3.41Å; C54-T71 HydrophobicContact CB-CG2 3.8Å; S55-T71 WeakPolarHBondContact OG-CG2 3.24Å; F67-T71 PolarHBondContact O-N 2.92Å; F67-T71 PolarHBondContact O-OG1 3.44Å; P68-T71 PolarHBondContact O-N 2.79Å; T71-Y73 VanDerWaalsContact C-N 3.3Å; T71-Y73 PolarHBondContact O-N 3.19Å; T71-M74 PolarHBondContact O-N 3.12Å; T71-S75 WeakPolarHBondContact O-CB 3.18Å; T71-S75 PolarHBondContact O-N 2.91Å; T71-S75 VanDerWaalsContact O-N 3.12Å; T71-S75 PolarHBondContact O-OG 3.47Å
72A97.6Very high96.5Very high59 Ų5952.9 Ų52.949%0.48830%0.298SS..Hα-helixtrans-62-40178.400000111.8P68 S75 S76P68-A72 WeakPolarHBondContact O-CB 3.25Å; P68-A72 PolarHBondContact O-N 3.29Å; A72-S75 PolarHBondContact O-OG 3.23Å; A72-S76 PolarHBondContact O-N 3.1Å
73Y97.9Very high96.8Very high17 Ų1744.1 Ų44.17%0.06726%0.263CS..Hα-helixtrans-65.9-50.4177.7169.2-126.2000112.3K20 D22 N69 L70 T71 S75 S76 L122 R123K20-Y73 HydrophobicContact CD-CE1 3.88Å; D22-Y73 HydrophobicContact CB-CE2 4.45Å; D22-Y73 PolarHBondContact OD1-OH 2.96Å; D22-Y73 PolarHBondContact OD2-OH 2.93Å; N69-Y73 WeakPolarHBondContact O-CB 3.41Å; N69-Y73 PolarHBondContact O-N 2.64Å; L70-Y73 PolarHBondContact O-N 3.05Å; T71-Y73 VanDerWaalsContact C-N 3.3Å; T71-Y73 PolarHBondContact O-N 3.19Å; Y73-S75 PolarHBondContact O-N 3.44Å; Y73-S76 VanDerWaalsContact O-CB 3.27Å; Y73-S76 WeakPolarHBondContact O-CB 3.02Å; Y73-S76 PolarHBondContact O-N 2.91Å; Y73-S76 PolarHBondContact O-OG 3.35Å; Y73-L122 HydrophobicContact CD1-CD1 3.61Å; Y73-L122 HydrophobicContact CD1-CD2 4.4Å; Y73-L122 HydrophobicContact CD1-CG 3.7Å; Y73-L122 HydrophobicContact CE1-CD1 4.4Å; Y73-L122 HydrophobicContact CE1-CG 4.29Å; Y73-L122 VanDerWaalsContact CE1-O 3.27Å; Y73-L122 WeakPolarHBondContact CE1-O 3.37Å; Y73-L122 HydrophobicContact CG-CD1 4.22Å; Y73-L122 HydrophobicContact CG-CD2 4.31Å; Y73-L122 HydrophobicContact CG-CG 4.09Å; Y73-R123 HydrophobicContact CE1-CG 4.34Å; Y73-R123 HydrophobicContact CE2-CG 3.95Å
74M98Very high97Very high2 Ų240.9 Ų40.91%0.0123%0.23CC..Hα-helixtrans-68.1-21.3-176.9-70.2-65.4-56.400113.2I18 K20 C54 Y58 L70 T71 L79I18-M74 HydrophobicContact CG2-CE 4.3Å; K20-M74 HydrophobicContact CB-SD 4.33Å; K20-M74 HydrophobicContact CD-SD 3.91Å; K20-M74 HydrophobicContact CG-CE 4.24Å; K20-M74 HydrophobicContact CG-SD 3.82Å; C54-M74 HydrophobicContact CB-CB 4.36Å; C54-M74 VanDerWaalsContact SG-C 3.54Å; Y58-M74 HydrophobicContact CE2-CB 4.19Å; Y58-M74 HydrophobicContact CE2-CE 4.36Å; Y58-M74 HydrophobicContact CE2-CG 3.69Å; L70-M74 HydrophobicContact CD1-CG 3.93Å; L70-M74 WeakPolarHBondContact O-CB 3.48Å; L70-M74 VanDerWaalsContact O-CG 3.3Å; L70-M74 WeakPolarHBondContact O-CG 3.38Å; L70-M74 PolarHBondContact O-N 3.24Å; T71-M74 PolarHBondContact O-N 3.12Å; M74-L79 HydrophobicContact CE-CD2 3.71Å
75S97.9Very high97.1Very high15 Ų1536.8 Ų36.811%0.10521%0.214CC..THydrogen-bonded Turntrans-95.21.1174.156.70000114H48 L49 T71 A72 Y73 G77H48-S75 PolarHBondContact NE2-O 3.43Å; L49-S75 WeakPolarHBondContact O-CA 3.44Å; L49-S75 VanDerWaalsContact O-CB 3.25Å; L49-S75 WeakPolarHBondContact O-CB 3.34Å; T71-S75 WeakPolarHBondContact O-CB 3.18Å; T71-S75 PolarHBondContact O-N 2.91Å; T71-S75 VanDerWaalsContact O-N 3.12Å; T71-S75 PolarHBondContact O-OG 3.47Å; A72-S75 PolarHBondContact O-OG 3.23Å; Y73-S75 PolarHBondContact O-N 3.44Å; S75-G77 PolarHBondContact O-N 3.49Å
76S98.1Very high97.2Very high82 Ų8230.7 Ų30.757%0.57318%0.18SC*.SBendtrans-71.6-15.9-176.366.80000114.4A72 Y73A72-S76 PolarHBondContact O-N 3.1Å; Y73-S76 VanDerWaalsContact O-CB 3.27Å; Y73-S76 WeakPolarHBondContact O-CB 3.02Å; Y73-S76 PolarHBondContact O-N 2.91Å; Y73-S76 PolarHBondContact O-OG 3.35Å
77G97.5Very high97.3Very high9 Ų932.7 Ų32.79%0.09319%0.191CC..SBendtrans-171.8-175.2-177.700000113.4H48 S75H48-G77 PolarHBondContact CD2-O 2.94Å; H48-G77 VanDerWaalsContact CD2-O 3.24Å; S75-G77 PolarHBondContact O-N 3.49Å
78P98.1Very high97.2Very high60 Ų6036.9 Ų36.939%0.3921%0.209SC..  trans-64.6151175.529.3-34.9000110.5P21 V24 L47P21-P78 VanDerWaalsContact CA-O 3.28Å; P21-P78 WeakPolarHBondContact CA-O 3.45Å; V24-P78 VanDerWaalsContact CG2-O 3.28Å; V24-P78 WeakPolarHBondContact CG2-O 3.45Å; L47-P78 CarbonylContact O-C 3.55Å; L47-P78 WeakPolarHBondContact O-CA 3.46Å
79L98.4Very high97.3Very high0 Ų033 Ų330%018%0.184CC..EExtended strand (participates in β ladder)trans-135.1164.8172.662.376.6000109.2I18 I19 P21 K46 L47 L49 M74 T81I18-L79 HydrophobicContact CG2-CB 4.37Å; I18-L79 HydrophobicContact CG2-CD1 3.99Å; I18-L79 HydrophobicContact CG2-CD2 4.38Å; I18-L79 HydrophobicContact CG2-CG 4.5Å; I19-L79 WeakPolarHBondContact O-CA 3.37Å; I19-L79 WeakPolarHBondContact O-CB 3.25Å; P21-L79 HydrophobicContact CG-CB 4.38Å; K46-L79 WeakPolarHBondContact CA-O 3.15Å; L47-L79 HydrophobicContact CD1-CD1 3.45Å; L47-L79 VanDerWaalsContact CD1-CD1 3.45Å; L47-L79 HydrophobicContact CD1-CD2 4.38Å; L47-L79 HydrophobicContact CD1-CG 3.89Å; L47-L79 HydrophobicContact CD2-CD1 4.48Å; L47-L79 HydrophobicContact CG-CD1 3.73Å; L47-L79 HydrophobicContact CG-CG 4.49Å; L47-L79 PolarHBondContact N-O 2.71Å; L47-L79 PolarHBondContact O-N 3.28Å; L47-L79 VanDerWaalsContact O-O 3.13Å; L49-L79 HydrophobicContact CD1-CD2 4.09Å; L49-L79 HydrophobicContact CG-CD2 4.26Å; M74-L79 HydrophobicContact CE-CD2 3.71Å; L79-T81 HydrophobicContact CD1-CG2 3.45Å; L79-T81 VanDerWaalsContact CD1-CG2 3.45Å
80V98.7Very high97.3Very high0 Ų028.4 Ų28.40%016%0.159CC..EExtended strand (participates in β ladder)trans-119.1129.8176.5178.70000109I18 I19 V24 E27 R44 R45 K46 M82I18-V80 CarbonylContact C-O 3.56Å; I18-V80 VanDerWaalsContact CA-O 3.3Å; I18-V80 WeakPolarHBondContact CA-O 3.21Å; I19-V80 HydrophobicContact CB-CB 4.09Å; I19-V80 HydrophobicContact CD1-CB 4.31Å; I19-V80 HydrophobicContact CD1-CG1 4.5Å; I19-V80 HydrophobicContact CG1-CB 4.47Å; I19-V80 PolarHBondContact N-O 2.91Å; I19-V80 PolarHBondContact O-N 2.79Å; I19-V80 VanDerWaalsContact O-N 3.09Å; V24-V80 HydrophobicContact CG1-CG2 4.05Å; E27-V80 HydrophobicContact CG-CG2 4.45Å; E27-V80 WeakPolarHBondContact OE1-CG1 3.45Å; E27-V80 WeakPolarHBondContact OE1-CG2 3.4Å; R44-V80 HydrophobicContact CG-CG1 4.08Å; R45-V80 WeakPolarHBondContact O-CA 3.13Å; K46-V80 HydrophobicContact CB-CG2 4.27Å; K46-V80 HydrophobicContact CD-CG2 4.22Å; K46-V80 HydrophobicContact CG-CG2 4.02Å; V80-M82 HydrophobicContact CG1-CE 4.45Å; V80-M82 HydrophobicContact CG1-CG 4.4Å
81T98.3Very high97.4Very high0 Ų030.7 Ų30.70%018%0.176CC..EExtended strand (participates in β ladder)trans-112145.117462.90000110.8A17 I18 R44 R45 L47 L79 M142 F143A17-T81 CarbonylContact O-C 3.48Å; A17-T81 WeakPolarHBondContact O-CA 3.25Å; I18-T81 HydrophobicContact CG1-CG2 4.03Å; I18-T81 HydrophobicContact CG2-CG2 4.26Å; R44-T81 CarbonylContact C-O 3.58Å; R44-T81 WeakPolarHBondContact CA-O 3.46Å; R45-T81 PolarHBondContact N-O 2.71Å; R45-T81 PolarHBondContact O-N 3.47Å; R45-T81 PolarHBondContact O-OG1 2.95Å; L47-T81 HydrophobicContact CD2-CG2 4.18Å; L79-T81 HydrophobicContact CD1-CG2 3.45Å; L79-T81 VanDerWaalsContact CD1-CG2 3.45Å; T81-M142 HydrophobicContact CG2-CB 4.45Å; T81-M142 HydrophobicContact CG2-CE 4.14Å; T81-M142 HydrophobicContact CG2-CG 4.02Å; T81-M142 HydrophobicContact CG2-SD 3.73Å; T81-F143 VanDerWaalsContact OG1-CZ 3.26Å; T81-F143 WeakPolarHBondContact OG1-CZ 3.29Å
82M98.6Very high97.4Very high0 Ų034.3 Ų34.30%019%0.189CC..EExtended strand (participates in β ladder)trans-140.1141.3178.9-69.2172.2-79.900110.5A17 I19 Q31 I34 I41 Q43 R44 V80 L84A17-M82 HydrophobicContact CB-CB 4.38Å; A17-M82 PolarHBondContact N-O 3.46Å; A17-M82 PolarHBondContact O-N 3.21Å; I19-M82 HydrophobicContact CD1-CE 3.61Å; I19-M82 HydrophobicContact CG1-CE 3.85Å; Q31-M82 HydrophobicContact CG-SD 3.85Å; I34-M82 HydrophobicContact CD1-CE 3.87Å; I34-M82 HydrophobicContact CD1-SD 4.32Å; I41-M82 HydrophobicContact CD1-SD 4.06Å; I41-M82 HydrophobicContact CG2-CB 4.36Å; I41-M82 HydrophobicContact CG2-CG 4.21Å; I41-M82 HydrophobicContact CG2-SD 4.37Å; Q43-M82 CarbonylContact O-C 3.59Å; Q43-M82 VanDerWaalsContact O-CA 3.25Å; Q43-M82 WeakPolarHBondContact O-CA 3.26Å; R44-M82 HydrophobicContact CB-CG 4.06Å; R44-M82 HydrophobicContact CG-CG 3.95Å; V80-M82 HydrophobicContact CG1-CE 4.45Å; V80-M82 HydrophobicContact CG1-CG 4.4Å; M82-L84 HydrophobicContact CB-CD2 3.94Å
83I98.1Very high97.5Very high0 Ų031.5 Ų31.50%017%0.166CC..EExtended strand (participates in β ladder)trans-92.1116.2165.5-55.7177.4000106.9K14 V42 Q43 I139 F143 V146K14-I83 HydrophobicContact CB-CG2 4.1Å; K14-I83 HydrophobicContact CD-CG2 4.25Å; K14-I83 HydrophobicContact CG-CG2 4.22Å; V42-I83 HydrophobicContact CB-CB 4.14Å; V42-I83 HydrophobicContact CB-CG2 4.06Å; V42-I83 HydrophobicContact CG2-CG2 4.38Å; V42-I83 PolarHBondContact N-O 2.99Å; Q43-I83 HydrophobicContact CB-CD1 4.08Å; Q43-I83 HydrophobicContact CB-CG1 4.35Å; Q43-I83 PolarHBondContact O-N 3.31Å; I83-I139 HydrophobicContact CD1-CG2 3.64Å; I83-I139 HydrophobicContact CG1-CG1 4.42Å; I83-I139 HydrophobicContact CG1-CG2 4.05Å; I83-I139 HydrophobicContact CG2-CD1 4.19Å; I83-F143 HydrophobicContact CD1-CB 4.06Å; I83-F143 HydrophobicContact CD1-CD1 4.3Å; I83-F143 HydrophobicContact CD1-CD2 3.69Å; I83-F143 HydrophobicContact CD1-CE2 4.16Å; I83-F143 HydrophobicContact CD1-CG 3.77Å; I83-F143 HydrophobicContact CG1-CD2 3.56Å; I83-F143 HydrophobicContact CG1-CE2 3.56Å; I83-F143 HydrophobicContact CG1-CG 4.12Å; I83-F143 HydrophobicContact CG1-CZ 4.11Å; I83-V146 HydrophobicContact CD1-CB 4.31Å; I83-V146 HydrophobicContact CD1-CG1 3.98Å; I83-V146 HydrophobicContact CD1-CG2 3.91Å
84L98.3Very high97.5Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-101.9133.7177.9-53.1-173.6000109.7K14 T15 A17 I34 F39 T40 I41 M82 W93K14-L84 CarbonylContact C-O 3.45Å; K14-L84 WeakPolarHBondContact CA-O 3.43Å; T15-L84 HydrophobicContact CG2-CB 3.97Å; T15-L84 PolarHBondContact N-O 2.83Å; T15-L84 PolarHBondContact O-N 3.16Å; A17-L84 HydrophobicContact CB-CD1 3.59Å; A17-L84 HydrophobicContact CB-CD2 4.47Å; A17-L84 HydrophobicContact CB-CG 3.83Å; I34-L84 HydrophobicContact CD1-CD1 4.38Å; I34-L84 HydrophobicContact CD1-CD2 4.49Å; I34-L84 HydrophobicContact CG2-CD1 4.11Å; I34-L84 HydrophobicContact CG2-CD2 3.73Å; F39-L84 HydrophobicContact CD1-CB 3.77Å; F39-L84 HydrophobicContact CD1-CD1 4.23Å; F39-L84 HydrophobicContact CE1-CB 4.34Å; F39-L84 HydrophobicContact CG-CB 4.46Å; F39-L84 HydrophobicContact CG-CD1 4.44Å; T40-L84 CarbonylContact O-C 3.53Å; T40-L84 WeakPolarHBondContact O-CA 3.38Å; I41-L84 HydrophobicContact CG1-CD2 3.87Å; M82-L84 HydrophobicContact CB-CD2 3.94Å; L84-W93 HydrophobicContact CD1-CD2 3.91Å; L84-W93 HydrophobicContact CD1-CE3 3.9Å; L84-W93 HydrophobicContact CD1-CG 4.35Å; L84-W93 HydrophobicContact CD1-CZ3 4.29Å
85A96.3Very high97.5Very high11 Ų1139.4 Ų39.49%0.09121%0.205CC..EExtended strand (participates in β ladder)trans-117.1132.4175.700000111.3V12 E13 K14 T40 V42V12-A85 HydrophobicContact CG1-CB 4.02Å; E13-A85 WeakPolarHBondContact O-CA 3.44Å; K14-A85 HydrophobicContact CG-CB 4.22Å; T40-A85 PolarHBondContact N-O 3.35Å; T40-A85 PolarHBondContact O-N 3.4Å; V42-A85 HydrophobicContact CG2-CB 3.48Å; V42-A85 VanDerWaalsContact CG2-CB 3.48Å
86R94.9Very high97.6Very high62 Ų6240.4 Ų40.423%0.23421%0.209CC..  trans-167159.1175.8-168.4-179.2172.3-178.2-1.5109.6E13 S37 F39 K88 A89 Y92E13-R86 PolarHBondContact O-N 2.94Å; E13-R86 VanDerWaalsContact O-N 3.1Å; E13-R86 VanDerWaalsContact O-O 3.05Å; S37-R86 VanDerWaalsContact O-CZ 3.27Å; S37-R86 PolarHBondContact O-NH1 3.26Å; F39-R86 HydrophobicContact CD1-CB 3.62Å; F39-R86 HydrophobicContact CD1-CG 4.43Å; F39-R86 HydrophobicContact CE1-CB 3.8Å; F39-R86 HydrophobicContact CG-CB 4.37Å; R86-K88 PolarHBondContact O-N 3.34Å; R86-A89 HydrophobicContact CB-CB 3.98Å; R86-A89 WeakPolarHBondContact O-CB 3.35Å; R86-A89 PolarHBondContact O-N 3.45Å; R86-Y92 VanDerWaalsContact NH1-CD1 3.31Å
87H93.9Very high97.6Very high138 Ų13836.5 Ų36.564%0.63918%0.182SC*.THydrogen-bonded Turntrans-59.6125161.2-178.168.6000109.9A89 Y92H87-A89 VanDerWaalsContact C-N 3.3Å; H87-A89 PolarHBondContact O-N 2.86Å; H87-Y92 WeakPolarHBondContact O-CD2 3.36Å
88K94.6Very high97.6Very high108 Ų10836.6 Ų36.647%0.4718%0.183SC..THydrogen-bonded Turntrans56.440.4-174.4-59.5177.5176.9-177.40113.4E13 R86 I90 S91 Y92E13-K88 WeakPolarHBondContact OE1-CA 3.28Å; R86-K88 PolarHBondContact O-N 3.34Å; K88-I90 VanDerWaalsContact C-N 3.28Å; K88-I90 PolarHBondContact O-N 3.09Å; K88-S91 WeakPolarHBondContact CB-OG 3.33Å; K88-S91 PolarHBondContact O-N 3.41Å; K88-S91 PolarHBondContact O-OG 3.36Å; K88-Y92 HydrophobicContact CB-CD2 3.85Å; K88-Y92 HydrophobicContact CB-CE2 4.06Å; K88-Y92 WeakPolarHBondContact O-CD2 3.41Å; K88-Y92 PolarHBondContact O-N 2.87Å
89A97.4Very high97.6Very high0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-51.7-42.1-175.300000114E13 T15 F39 R86 H87 W93E13-A89 HydrophobicContact CB-CB 4.34Å; E13-A89 HydrophobicContact CG-CB 4.11Å; E13-A89 WeakPolarHBondContact O-CB 3.21Å; E13-A89 PolarHBondContact OE1-N 2.88Å; T15-A89 HydrophobicContact CG2-CB 4Å; F39-A89 HydrophobicContact CE1-CB 4Å; F39-A89 WeakPolarHBondContact CE1-O 3.4Å; R86-A89 HydrophobicContact CB-CB 3.98Å; R86-A89 WeakPolarHBondContact O-CB 3.35Å; R86-A89 PolarHBondContact O-N 3.45Å; H87-A89 VanDerWaalsContact C-N 3.3Å; H87-A89 PolarHBondContact O-N 2.86Å; A89-W93 WeakPolarHBondContact O-CB 3.23Å; A89-W93 PolarHBondContact O-N 3.2Å
90I97.8Very high97.3Very high10 Ų1039.8 Ų39.85%0.05120%0.198CC..Hα-helixtrans-61.9-55.8-179.6-64.4164.8000109.9E13 K88 Y92 W93 L94 S129 F132 A135E13-I90 HydrophobicContact CG-CD1 4.29Å; E13-I90 HydrophobicContact CG-CG1 4.35Å; E13-I90 VanDerWaalsContact OE1-CB 3.32Å; E13-I90 WeakPolarHBondContact OE1-CB 3.36Å; E13-I90 WeakPolarHBondContact OE1-CG1 3.42Å; E13-I90 PolarHBondContact OE1-N 2.81Å; K88-I90 VanDerWaalsContact C-N 3.28Å; K88-I90 PolarHBondContact O-N 3.09Å; I90-Y92 PolarHBondContact O-N 3.5Å; I90-W93 PolarHBondContact O-N 3.02Å; I90-L94 HydrophobicContact CG2-CD1 4.06Å; I90-L94 WeakPolarHBondContact O-CG 3.33Å; I90-L94 PolarHBondContact O-N 2.98Å; I90-S129 WeakPolarHBondContact CG2-O 3.27Å; I90-F132 HydrophobicContact CD1-CB 4.42Å; I90-F132 HydrophobicContact CD1-CD1 3.88Å; I90-F132 HydrophobicContact CD1-CD2 4.3Å; I90-F132 HydrophobicContact CD1-CE1 4.24Å; I90-F132 HydrophobicContact CD1-CG 3.93Å; I90-A135 HydrophobicContact CD1-CB 4.03Å; I90-A135 HydrophobicContact CG1-CB 4.37Å
91S97.9Very high97.1Very high62 Ų6242.1 Ų42.143%0.43421%0.211SC..Hα-helixtrans-64.5-41.5-176.666.80000112K88 W93 L94 E95K88-S91 WeakPolarHBondContact CB-OG 3.33Å; K88-S91 PolarHBondContact O-N 3.41Å; K88-S91 PolarHBondContact O-OG 3.36Å; S91-W93 VanDerWaalsContact C-N 3.32Å; S91-W93 PolarHBondContact O-N 3.3Å; S91-L94 PolarHBondContact O-N 2.93Å; S91-E95 WeakPolarHBondContact O-CB 3.3Å; S91-E95 PolarHBondContact O-N 3.41Å
92Y98.3Very high97.1Very high85 Ų8542.1 Ų42.133%0.33321%0.211SC..Hα-helixtrans-66.5-34.6177.4-86.9-69.8000112.5R86 H87 K88 I90 L96R86-Y92 VanDerWaalsContact NH1-CD1 3.31Å; H87-Y92 WeakPolarHBondContact O-CD2 3.36Å; K88-Y92 HydrophobicContact CB-CD2 3.85Å; K88-Y92 HydrophobicContact CB-CE2 4.06Å; K88-Y92 WeakPolarHBondContact O-CD2 3.41Å; K88-Y92 PolarHBondContact O-N 2.87Å; I90-Y92 PolarHBondContact O-N 3.5Å; Y92-L96 WeakPolarHBondContact O-CB 3.42Å; Y92-L96 PolarHBondContact O-N 3.45Å
93W98.7Very high97Very high0 Ų046.9 Ų46.90%024%0.236CC..Hα-helixtrans-69.8-46177.8179.5-128.8000110T15 A17 I34 F39 L84 A89 I90 S91 E95 L96 L97 L113 L126 H127T15-W93 HydrophobicContact CG2-CB 3.92Å; T15-W93 HydrophobicContact CG2-CG 4.17Å; A17-W93 HydrophobicContact CB-CD2 4.48Å; A17-W93 HydrophobicContact CB-CH2 4.34Å; A17-W93 HydrophobicContact CB-CZ2 3.54Å; I34-W93 HydrophobicContact CD1-CH2 4.03Å; I34-W93 HydrophobicContact CD1-CZ3 4.12Å; I34-W93 HydrophobicContact CG1-CH2 4.15Å; I34-W93 HydrophobicContact CG1-CZ3 3.76Å; F39-W93 HydrophobicContact CE1-CB 4.31Å; F39-W93 HydrophobicContact CZ-CB 3.97Å; L84-W93 HydrophobicContact CD1-CD2 3.91Å; L84-W93 HydrophobicContact CD1-CE3 3.9Å; L84-W93 HydrophobicContact CD1-CG 4.35Å; L84-W93 HydrophobicContact CD1-CZ3 4.29Å; A89-W93 WeakPolarHBondContact O-CB 3.23Å; A89-W93 PolarHBondContact O-N 3.2Å; I90-W93 PolarHBondContact O-N 3.02Å; S91-W93 VanDerWaalsContact C-N 3.32Å; S91-W93 PolarHBondContact O-N 3.3Å; W93-E95 VanDerWaalsContact C-N 3.31Å; W93-E95 PolarHBondContact O-N 3.44Å; W93-L96 HydrophobicContact CE3-CB 4.4Å; W93-L96 HydrophobicContact CE3-CD2 4Å; W93-L96 HydrophobicContact CZ3-CD2 3.82Å; W93-L96 HydrophobicContact CZ3-CG 4.43Å; W93-L96 PolarHBondContact O-N 3.27Å; W93-L97 HydrophobicContact CD2-CD1 4.43Å; W93-L97 HydrophobicContact CD2-CD2 4.47Å; W93-L97 HydrophobicContact CD2-CG 4.15Å; W93-L97 HydrophobicContact CH2-CD2 3.83Å; W93-L97 HydrophobicContact CZ2-CD1 4.32Å; W93-L97 HydrophobicContact CZ2-CD2 3.56Å; W93-L97 HydrophobicContact CZ2-CG 4.08Å; W93-L97 HydrophobicContact CZ3-CD2 4.39Å; W93-L97 VanDerWaalsContact O-CG 3.27Å; W93-L97 WeakPolarHBondContact O-CG 3.42Å; W93-L97 PolarHBondContact O-N 2.89Å; W93-L113 HydrophobicContact CH2-CD1 3.73Å; W93-L113 HydrophobicContact CZ3-CD1 3.66Å; W93-L126 HydrophobicContact CH2-CD1 4.35Å; W93-L126 HydrophobicContact CH2-CD2 4.39Å; W93-L126 HydrophobicContact CZ2-CD2 4.39Å; W93-H127 PolarHBondContact NE1-O 3.1Å
94L98.4Very high96.9Very high50 Ų5050 Ų5026%0.26226%0.255SS..Hα-helixtrans-60.8-38.3175.3-67176.5000112.6I90 S91 L97 G98I90-L94 HydrophobicContact CG2-CD1 4.06Å; I90-L94 WeakPolarHBondContact O-CG 3.33Å; I90-L94 PolarHBondContact O-N 2.98Å; S91-L94 PolarHBondContact O-N 2.93Å; L94-L97 HydrophobicContact CD2-CD1 4.41Å; L94-L97 PolarHBondContact O-N 2.9Å; L94-G98 PolarHBondContact O-N 3.4Å
95E98.3Very high96.9Very high135 Ų13550 Ų5063%0.63126%0.255SS*.Hα-helixtrans-62-46.8173.8-175.6-178.1171.200111.5S91 W93 L97 G98S91-E95 WeakPolarHBondContact O-CB 3.3Å; S91-E95 PolarHBondContact O-N 3.41Å; W93-E95 VanDerWaalsContact C-N 3.31Å; W93-E95 PolarHBondContact O-N 3.44Å; E95-L97 VanDerWaalsContact C-N 3.29Å; E95-L97 PolarHBondContact O-N 2.84Å; E95-G98 PolarHBondContact O-N 2.93Å
96L98.4Very high97Very high37 Ų3753.8 Ų53.819%0.19427%0.269CS..Hα-helixtrans-64.9-33.7178-173.460.9000112.3I33 S37 F39 Y92 W93 L113I33-L96 HydrophobicContact CG2-CD1 4.46Å; I33-L96 HydrophobicContact CG2-CD2 4.43Å; S37-L96 WeakPolarHBondContact OG-CD2 3.27Å; F39-L96 HydrophobicContact CE2-CD2 4.47Å; Y92-L96 WeakPolarHBondContact O-CB 3.42Å; Y92-L96 PolarHBondContact O-N 3.45Å; W93-L96 HydrophobicContact CE3-CB 4.4Å; W93-L96 HydrophobicContact CE3-CD2 4Å; W93-L96 HydrophobicContact CZ3-CD2 3.82Å; W93-L96 HydrophobicContact CZ3-CG 4.43Å; W93-L96 PolarHBondContact O-N 3.27Å; L96-L113 HydrophobicContact CD1-CG 4.45Å; L96-L113 HydrophobicContact CD2-CD1 4.02Å; L96-L113 HydrophobicContact CG-CD1 3.73Å; L96-L113 HydrophobicContact CG-CG 4.03Å; L96-L113 WeakPolarHBondContact O-CG 3.32Å; L96-L113 PolarHBondContact O-N 3.11Å
97L98.6Very high97.1Very high0 Ų058.5 Ų58.50%029%0.294CS..Hα-helixtrans-67.6-41.3173.8-71-176.6000112.5W93 L94 E95 S112 L113 R114 L126W93-L97 HydrophobicContact CD2-CD1 4.43Å; W93-L97 HydrophobicContact CD2-CD2 4.47Å; W93-L97 HydrophobicContact CD2-CG 4.15Å; W93-L97 HydrophobicContact CH2-CD2 3.83Å; W93-L97 HydrophobicContact CZ2-CD1 4.32Å; W93-L97 HydrophobicContact CZ2-CD2 3.56Å; W93-L97 HydrophobicContact CZ2-CG 4.08Å; W93-L97 HydrophobicContact CZ3-CD2 4.39Å; W93-L97 VanDerWaalsContact O-CG 3.27Å; W93-L97 WeakPolarHBondContact O-CG 3.42Å; W93-L97 PolarHBondContact O-N 2.89Å; L94-L97 HydrophobicContact CD2-CD1 4.41Å; L94-L97 PolarHBondContact O-N 2.9Å; E95-L97 VanDerWaalsContact C-N 3.29Å; E95-L97 PolarHBondContact O-N 2.84Å; L97-S112 WeakPolarHBondContact O-CB 3.39Å; L97-L113 HydrophobicContact CD2-CB 4.42Å; L97-L113 HydrophobicContact CD2-CD1 4.24Å; L97-R114 HydrophobicContact CB-CG 4.43Å; L97-R114 WeakPolarHBondContact O-CB 3.5Å; L97-R114 WeakPolarHBondContact O-CD 3.39Å; L97-R114 WeakPolarHBondContact O-CG 3.47Å; L97-R114 PolarHBondContact O-N 3.12Å; L97-R114 VanDerWaalsContact O-N 3.07Å; L97-L126 HydrophobicContact CD2-CB 3.34Å; L97-L126 HydrophobicContact CD2-CD1 3.57Å; L97-L126 HydrophobicContact CD2-CG 4.07Å
98G98.1Very high97.3Very high11 Ų1155.6 Ų55.611%0.11329%0.286CS..  trans75-172.9-170.200000113.5L94 E95 R114L94-G98 PolarHBondContact O-N 3.4Å; E95-G98 PolarHBondContact O-N 2.93Å; G98-R114 PolarHBondContact O-NH1 3.34Å
99P96.8Very high97.5Very high35 Ų3555.1 Ų55.123%0.22729%0.285CS..  trans-54145.3-177.3-2633.6000113.8N101 V104 A105 H109 R114P99-N101 VanDerWaalsContact C-N 3.27Å; P99-N101 PolarHBondContact O-N 3.44Å; P99-V104 HydrophobicContact CB-CB 4.39Å; P99-V104 HydrophobicContact CB-CG1 4.12Å; P99-V104 HydrophobicContact CG-CG1 4.27Å; P99-A105 HydrophobicContact CB-CB 4.32Å; P99-A105 HydrophobicContact CG-CB 4.33Å; P99-H109 WeakPolarHBondContact CD-ND1 3.46Å; P99-R114 WeakPolarHBondContact O-CD 3.38Å
100N93.7Very high97.5Very high91 Ų9158.8 Ų58.849%0.48731%0.309SS..SBendtrans-57.8-38.3-179.6-78.8-27.1000112.9S102 R114 N124N100-S102 PolarHBondContact O-N 3.37Å; N100-R114 PolarHBondContact OD1-NH1 2.93Å; N100-R114 PolarHBondContact OD1-NH2 3.07Å; N100-R114 VanDerWaalsContact OD1-NH2 3.1Å; N100-N124 VanDerWaalsContact O-CB 3.28Å; N100-N124 WeakPolarHBondContact O-CB 3.24Å; N100-N124 PolarHBondContact O-ND2 2.95Å
101N95Very high97.5Very high50 Ų5065.2 Ų65.227%0.26734%0.344SS..SBendtrans-82.3116.9177-174.5-60.8000110.1P99 L103 V104 A105 D121P99-N101 VanDerWaalsContact C-N 3.27Å; P99-N101 PolarHBondContact O-N 3.44Å; N101-L103 VanDerWaalsContact C-N 3.26Å; N101-L103 PolarHBondContact O-N 2.94Å; N101-L103 WeakPolarHBondContact OD1-CB 3.32Å; N101-L103 PolarHBondContact OD1-N 2.98Å; N101-V104 HydrophobicContact CB-CB 4.21Å; N101-V104 HydrophobicContact CB-CG2 3.97Å; N101-V104 PolarHBondContact O-N 3.33Å; N101-V104 VanDerWaalsContact O-N 3.16Å; N101-V104 PolarHBondContact OD1-N 2.88Å; N101-A105 PolarHBondContact O-N 3.35Å; N101-D121 WeakPolarHBondContact CA-OD1 3.12Å
102S96.3Very high97.5Very high0 Ų062.7 Ų62.70%033%0.326CS..Hα-helixtrans-61.7-29.2-175.9-51.80000113.9N100 A105 K106 G118 D120 N124N100-S102 PolarHBondContact O-N 3.37Å; S102-A105 PolarHBondContact O-N 2.9Å; S102-K106 VanDerWaalsContact O-CG 3.26Å; S102-K106 WeakPolarHBondContact O-CG 3.13Å; S102-K106 PolarHBondContact O-N 3.19Å; S102-G118 WeakPolarHBondContact OG-CA 3.41Å; S102-D120 WeakPolarHBondContact CB-O 3.27Å; S102-D120 PolarHBondContact OG-O 3.45Å; S102-N124 WeakPolarHBondContact OG-CA 3.34Å; S102-N124 WeakPolarHBondContact OG-CB 3.3Å
103L96.6Very high97.5Very high100 Ų10058.7 Ų58.752%0.52431%0.31SS..Hα-helixtrans-70.7-44.8176.7-59.9176.7000110.7N101 A105 K106 E107N101-L103 VanDerWaalsContact C-N 3.26Å; N101-L103 PolarHBondContact O-N 2.94Å; N101-L103 WeakPolarHBondContact OD1-CB 3.32Å; N101-L103 PolarHBondContact OD1-N 2.98Å; L103-A105 VanDerWaalsContact C-N 3.29Å; L103-A105 PolarHBondContact O-N 3.49Å; L103-K106 PolarHBondContact O-N 3.43Å; L103-E107 PolarHBondContact O-N 3.43Å
104V97.3Very high97.5Very high65 Ų6559.2 Ų59.239%0.39431%0.312SS..Hα-helixtrans-62.4-40173.6179.70000110.6P99 N101 E107 T108P99-V104 HydrophobicContact CB-CB 4.39Å; P99-V104 HydrophobicContact CB-CG1 4.12Å; P99-V104 HydrophobicContact CG-CG1 4.27Å; N101-V104 HydrophobicContact CB-CB 4.21Å; N101-V104 HydrophobicContact CB-CG2 3.97Å; N101-V104 PolarHBondContact O-N 3.33Å; N101-V104 VanDerWaalsContact O-N 3.16Å; N101-V104 PolarHBondContact OD1-N 2.88Å; V104-E107 PolarHBondContact O-N 2.89Å; V104-T108 HydrophobicContact CG1-CG2 4.25Å; V104-T108 WeakPolarHBondContact O-CB 3.41Å; V104-T108 PolarHBondContact O-N 3.42Å; V104-T108 PolarHBondContact O-OG1 3.48Å
105A97.9Very high97.5Very high0 Ų057.2 Ų57.20%030%0.303CS..Hα-helixtrans-60-45.3175.700000111.5P99 N101 S102 L103 E107 T108 H109 R114 A115P99-A105 HydrophobicContact CB-CB 4.32Å; P99-A105 HydrophobicContact CG-CB 4.33Å; N101-A105 PolarHBondContact O-N 3.35Å; S102-A105 PolarHBondContact O-N 2.9Å; L103-A105 VanDerWaalsContact C-N 3.29Å; L103-A105 PolarHBondContact O-N 3.49Å; A105-E107 VanDerWaalsContact C-N 3.27Å; A105-E107 PolarHBondContact O-N 2.93Å; A105-T108 PolarHBondContact O-N 3.42Å; A105-H109 CarbonylContact O-C 2.97Å; A105-H109 VanDerWaalsContact O-CA 3.29Å; A105-H109 WeakPolarHBondContact O-CA 3.35Å; A105-H109 PolarHBondContact O-N 3.01Å; A105-R114 HydrophobicContact CB-CB 4.13Å; A105-A115 HydrophobicContact CB-CB 4.1Å
106K97.9Very high97.5Very high91 Ų9155.1 Ų55.140%0.39630%0.295SS..Hα-helixtrans-59.2-36.5176.5-74.2168.6-173.6173.70113.3S102 L103 A115 G118S102-K106 VanDerWaalsContact O-CG 3.26Å; S102-K106 WeakPolarHBondContact O-CG 3.13Å; S102-K106 PolarHBondContact O-N 3.19Å; L103-K106 PolarHBondContact O-N 3.43Å; K106-A115 WeakPolarHBondContact CE-O 3.02Å; K106-A115 HydrophobicContact CG-CB 3.96Å; K106-G118 WeakPolarHBondContact CE-O 3.45Å; K106-G118 PolarHBondContact NZ-O 3.49Å
107E97.6Very high97.5Very high161 Ų16154.6 Ų54.675%0.75229%0.291SS*.Hα-helixtrans-78.3-39.6-179.8-68.8176.8175.500112.9L103 V104 A105L103-E107 PolarHBondContact O-N 3.43Å; V104-E107 PolarHBondContact O-N 2.89Å; A105-E107 VanDerWaalsContact C-N 3.27Å; A105-E107 PolarHBondContact O-N 2.93Å
108T97.8Very high97.4Very high77 Ų7754.7 Ų54.747%0.47229%0.291SS..Hα-helixtrans-104.8-29-168.158.80000114.1V104 A105V104-T108 HydrophobicContact CG1-CG2 4.25Å; V104-T108 WeakPolarHBondContact O-CB 3.41Å; V104-T108 PolarHBondContact O-N 3.42Å; V104-T108 PolarHBondContact O-OG1 3.48Å; A105-T108 PolarHBondContact O-N 3.42Å
109H98Very high97.2Very high98 Ų9858 Ų5845%0.45431%0.31SS..  trans-140.463.9-176-5878.4000109.4P99 A105 D111 S112 A115P99-H109 WeakPolarHBondContact CD-ND1 3.46Å; A105-H109 CarbonylContact O-C 2.97Å; A105-H109 VanDerWaalsContact O-CA 3.29Å; A105-H109 WeakPolarHBondContact O-CA 3.35Å; A105-H109 PolarHBondContact O-N 3.01Å; H109-D111 PolarHBondContact O-N 3Å; H109-S112 VanDerWaalsContact O-CB 3.24Å; H109-S112 WeakPolarHBondContact O-CB 3.23Å; H109-S112 PolarHBondContact O-N 3.36Å; H109-S112 PolarHBondContact O-OG 3.31Å; H109-A115 VanDerWaalsContact O-CB 3.31Å; H109-A115 WeakPolarHBondContact O-CB 3.48Å
110P97.7Very high97Very high77 Ų7758.8 Ų58.850%0.531%0.312SS..THydrogen-bonded Turntrans-59.8-24.8-17023.3-34.8000113.9A115P110-A115 WeakPolarHBondContact O-CB 3.27Å
111D97.7Very high96.9Very high145 Ų14558.8 Ų58.878%0.77531%0.312SS*.THydrogen-bonded Turntrans-88.7-1.2178.2-55.8-45.3000113.5H109 I116H109-D111 PolarHBondContact O-N 3Å; D111-I116 WeakPolarHBondContact O-CD1 3.39Å
112S98.5Very high96.8Very high8 Ų858.4 Ų58.46%0.05631%0.31CS..SBendtrans-72.9153.4178.567.80000112.1L97 H109 R114 A115 I116L97-S112 WeakPolarHBondContact O-CB 3.39Å; H109-S112 VanDerWaalsContact O-CB 3.24Å; H109-S112 WeakPolarHBondContact O-CB 3.23Å; H109-S112 PolarHBondContact O-N 3.36Å; H109-S112 PolarHBondContact O-OG 3.31Å; S112-R114 VanDerWaalsContact C-N 3.25Å; S112-R114 PolarHBondContact O-N 3.16Å; S112-A115 WeakPolarHBondContact O-CB 3.41Å; S112-A115 PolarHBondContact O-N 3.32Å; S112-A115 WeakPolarHBondContact OG-CB 3.44Å; S112-A115 PolarHBondContact OG-N 3.28Å; S112-I116 WeakPolarHBondContact O-CG1 3.38Å; S112-I116 PolarHBondContact O-N 3.45Å
113L98.4Very high96.8Very high2 Ų263.5 Ų63.51%0.0133%0.329CS..Hα-helixtrans-62.1-33.7-177.5-61.8175000112.4I33 W93 L96 L97 A115 I116 Y117 L126I33-L113 HydrophobicContact CD1-CD2 3.91Å; I33-L113 HydrophobicContact CG2-CD2 4.04Å; W93-L113 HydrophobicContact CH2-CD1 3.73Å; W93-L113 HydrophobicContact CZ3-CD1 3.66Å; L96-L113 HydrophobicContact CD1-CG 4.45Å; L96-L113 HydrophobicContact CD2-CD1 4.02Å; L96-L113 HydrophobicContact CG-CD1 3.73Å; L96-L113 HydrophobicContact CG-CG 4.03Å; L96-L113 WeakPolarHBondContact O-CG 3.32Å; L96-L113 PolarHBondContact O-N 3.11Å; L97-L113 HydrophobicContact CD2-CB 4.42Å; L97-L113 HydrophobicContact CD2-CD1 4.24Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-I116 PolarHBondContact O-N 3.42Å; L113-Y117 HydrophobicContact CB-CD2 4.29Å; L113-Y117 HydrophobicContact CD2-CD2 4.22Å; L113-Y117 HydrophobicContact CD2-CE2 3.72Å; L113-Y117 VanDerWaalsContact O-CD2 3.29Å; L113-Y117 WeakPolarHBondContact O-CD2 3.21Å; L113-Y117 PolarHBondContact O-N 3Å; L113-L126 HydrophobicContact CB-CD1 3.36Å; L113-L126 HydrophobicContact CD1-CD1 3.6Å; L113-L126 HydrophobicContact CG-CD1 4.05Å
114R98.4Very high96.8Very high10 Ų1059.1 Ų59.14%0.03831%0.306CS..Hα-helixtrans-72.7-27.3175.7-65.7178.5171.3156.7-12.3112.9L97 G98 P99 N100 A105 S112 G118 N124 L126L97-R114 HydrophobicContact CB-CG 4.43Å; L97-R114 WeakPolarHBondContact O-CB 3.5Å; L97-R114 WeakPolarHBondContact O-CD 3.39Å; L97-R114 WeakPolarHBondContact O-CG 3.47Å; L97-R114 PolarHBondContact O-N 3.12Å; L97-R114 VanDerWaalsContact O-N 3.07Å; G98-R114 PolarHBondContact O-NH1 3.34Å; P99-R114 WeakPolarHBondContact O-CD 3.38Å; N100-R114 PolarHBondContact OD1-NH1 2.93Å; N100-R114 PolarHBondContact OD1-NH2 3.07Å; N100-R114 VanDerWaalsContact OD1-NH2 3.1Å; A105-R114 HydrophobicContact CB-CB 4.13Å; S112-R114 VanDerWaalsContact C-N 3.25Å; S112-R114 PolarHBondContact O-N 3.16Å; R114-G118 WeakPolarHBondContact O-CA 3.28Å; R114-G118 PolarHBondContact O-N 3.3Å; R114-N124 HydrophobicContact CG-CB 4.42Å; R114-N124 WeakPolarHBondContact CG-O 3.3Å; R114-L126 PolarHBondContact NE-O 3.31Å; R114-L126 PolarHBondContact NH2-O 3.39Å; R114-L126 VanDerWaalsContact NH2-O 3.15Å
115A98.3Very high96.8Very high8 Ų856 Ų567%0.06629%0.287CS..Hα-helixtrans-70.7-41.4171.700000111.7A105 K106 H109 P110 S112 L113A105-A115 HydrophobicContact CB-CB 4.1Å; K106-A115 WeakPolarHBondContact CE-O 3.02Å; K106-A115 HydrophobicContact CG-CB 3.96Å; H109-A115 VanDerWaalsContact O-CB 3.31Å; H109-A115 WeakPolarHBondContact O-CB 3.48Å; P110-A115 WeakPolarHBondContact O-CB 3.27Å; S112-A115 WeakPolarHBondContact O-CB 3.41Å; S112-A115 PolarHBondContact O-N 3.32Å; S112-A115 WeakPolarHBondContact OG-CB 3.44Å; S112-A115 PolarHBondContact OG-N 3.28Å; L113-A115 VanDerWaalsContact C-N 3.34Å
116I98.1Very high96.9Very high91 Ų9156 Ų5647%0.46729%0.287SS..Hα-helixtrans-73.8-49.2-176.8-63.6166.6000111.6D111 S112 L113D111-I116 WeakPolarHBondContact O-CD1 3.39Å; S112-I116 WeakPolarHBondContact O-CG1 3.38Å; S112-I116 PolarHBondContact O-N 3.45Å; L113-I116 PolarHBondContact O-N 3.42Å
117Y98.1Very high96.9Very high26 Ų2652.9 Ų52.910%0.10227%0.274CS..Hα-helixtrans-104.6-18.7-171.2-56.3-71.3000114.1K26 E29 I30 I33 L113K26-Y117 HydrophobicContact CB-CE1 4.38Å; K26-Y117 HydrophobicContact CG-CD1 4.31Å; K26-Y117 HydrophobicContact CG-CE1 4.37Å; E29-Y117 PolarHBondContact OE1-OH 3.42Å; I30-Y117 HydrophobicContact CD1-CD2 4.41Å; I30-Y117 HydrophobicContact CD1-CE2 4.44Å; I30-Y117 HydrophobicContact CG1-CD2 4.4Å; I30-Y117 HydrophobicContact CG1-CE2 3.96Å; I33-Y117 HydrophobicContact CD1-CE2 4.32Å; I33-Y117 WeakPolarHBondContact CD1-OH 3.29Å; L113-Y117 HydrophobicContact CB-CD2 4.29Å; L113-Y117 HydrophobicContact CD2-CD2 4.22Å; L113-Y117 HydrophobicContact CD2-CE2 3.72Å; L113-Y117 VanDerWaalsContact O-CD2 3.29Å; L113-Y117 WeakPolarHBondContact O-CD2 3.21Å; L113-Y117 PolarHBondContact O-N 3Å
118G97.1Very high96.9Very high2 Ų245.3 Ų45.32%0.02124%0.24CC..  trans-82.8146.1-176.300000113.9S102 K106 R114 R123S102-G118 WeakPolarHBondContact OG-CA 3.41Å; K106-G118 WeakPolarHBondContact CE-O 3.45Å; K106-G118 PolarHBondContact NZ-O 3.49Å; R114-G118 WeakPolarHBondContact O-CA 3.28Å; R114-G118 PolarHBondContact O-N 3.3Å; G118-R123 WeakPolarHBondContact CA-O 3.41Å
119T95Very high96.9Very high81 Ų8141.7 Ų41.750%0.49722%0.217SC..  trans-109.5-37.4177.961.10000113R123T119-R123 PolarHBondContact N-O 2.94Å; T119-R123 VanDerWaalsContact OG1-CB 3.31Å; T119-R123 WeakPolarHBondContact OG1-CB 3.45Å; T119-R123 PolarHBondContact OG1-O 3.24Å
120D92.5Very high96.7Very high52 Ų5241.7 Ų41.728%0.27822%0.22SC..SBendtrans-149.1-167.9-178.465.759.4000111.3S102 L122 R123 N124S102-D120 WeakPolarHBondContact CB-O 3.27Å; S102-D120 PolarHBondContact OG-O 3.45Å; D120-L122 WeakPolarHBondContact OD1-CA 3.39Å; D120-L122 WeakPolarHBondContact OD1-CB 3.45Å; D120-L122 PolarHBondContact OD1-N 3.38Å; D120-R123 PolarHBondContact N-O 2.83Å; D120-R123 CarbonylContact O-C 3.49Å; D120-R123 PolarHBondContact OD1-N 2.92Å; D120-R123 IonicContact OD2-NH1 3.4Å; D120-R123 PolarHBondContact OD2-NH1 3.22Å; D120-N124 PolarHBondContact O-N 3.04Å
121D91.2Very high96.6Very high91 Ų9141.9 Ų41.949%0.48722%0.217SC..SBendtrans-71.3-35.6-178.6-164.553.4000113N101N101-D121 WeakPolarHBondContact CA-OD1 3.12Å
122L93.5Very high96.3Very high42 Ų4240.1 Ų40.122%0.2220%0.203CC..SBendtrans-82.1-49.6178.9177.161.2000110.8K20 N69 L70 Y73 D120 N124K20-L122 PolarHBondContact NZ-O 2.98Å; N69-L122 HydrophobicContact CB-CD2 4.31Å; L70-L122 HydrophobicContact CB-CD1 4.21Å; L70-L122 HydrophobicContact CD1-CD1 3.89Å; Y73-L122 HydrophobicContact CD1-CD1 3.61Å; Y73-L122 HydrophobicContact CD1-CD2 4.4Å; Y73-L122 HydrophobicContact CD1-CG 3.7Å; Y73-L122 HydrophobicContact CE1-CD1 4.4Å; Y73-L122 HydrophobicContact CE1-CG 4.29Å; Y73-L122 VanDerWaalsContact CE1-O 3.27Å; Y73-L122 WeakPolarHBondContact CE1-O 3.37Å; Y73-L122 HydrophobicContact CG-CD1 4.22Å; Y73-L122 HydrophobicContact CG-CD2 4.31Å; Y73-L122 HydrophobicContact CG-CG 4.09Å; D120-L122 WeakPolarHBondContact OD1-CA 3.39Å; D120-L122 WeakPolarHBondContact OD1-CB 3.45Å; D120-L122 PolarHBondContact OD1-N 3.38Å; L122-N124 VanDerWaalsContact C-N 3.28Å; L122-N124 PolarHBondContact O-N 2.92Å
123R96.1Very high95.9Very high107 Ų10742.4 Ų42.440%0.40422%0.222SC..  trans-89.761.3175.2-63.4-176.1-174.877.63.2110.6Y73 G118 T119 D120 A125Y73-R123 HydrophobicContact CE1-CG 4.34Å; Y73-R123 HydrophobicContact CE2-CG 3.95Å; G118-R123 WeakPolarHBondContact CA-O 3.41Å; T119-R123 PolarHBondContact N-O 2.94Å; T119-R123 VanDerWaalsContact OG1-CB 3.31Å; T119-R123 WeakPolarHBondContact OG1-CB 3.45Å; T119-R123 PolarHBondContact OG1-O 3.24Å; D120-R123 PolarHBondContact N-O 2.83Å; D120-R123 CarbonylContact O-C 3.49Å; D120-R123 PolarHBondContact OD1-N 2.92Å; D120-R123 IonicContact OD2-NH1 3.4Å; D120-R123 PolarHBondContact OD2-NH1 3.22Å; R123-A125 VanDerWaalsContact C-N 3.27Å
124N96.8Very high95.6Very high8 Ų842.4 Ų42.44%0.04322%0.223CC..  trans-94.223.8174.568.10.5000112.5K20 N100 S102 R114 D120 L122 L126K20-N124 VanDerWaalsContact CE-OD1 3.3Å; K20-N124 WeakPolarHBondContact CE-OD1 3.44Å; K20-N124 PolarHBondContact NZ-OD1 2.89Å; N100-N124 VanDerWaalsContact O-CB 3.28Å; N100-N124 WeakPolarHBondContact O-CB 3.24Å; N100-N124 PolarHBondContact O-ND2 2.95Å; S102-N124 WeakPolarHBondContact OG-CA 3.34Å; S102-N124 WeakPolarHBondContact OG-CB 3.3Å; R114-N124 HydrophobicContact CG-CB 4.42Å; R114-N124 WeakPolarHBondContact CG-O 3.3Å; D120-N124 PolarHBondContact O-N 3.04Å; L122-N124 VanDerWaalsContact C-N 3.28Å; L122-N124 PolarHBondContact O-N 2.92Å; N124-L126 PolarHBondContact O-N 3.03Å; N124-L126 PolarHBondContact OD1-O 3.29Å
125A97.4Very high95.5Very high0 Ų042 Ų420%022%0.222CC..SBendtrans63.4-40.2175.400000117.9K20 I23 R123K20-A125 VanDerWaalsContact CB-O 3.24Å; K20-A125 WeakPolarHBondContact CB-O 3.13Å; K20-A125 WeakPolarHBondContact CG-O 3.17Å; K20-A125 PolarHBondContact N-O 3.18Å; I23-A125 HydrophobicContact CD1-CB 3.68Å; I23-A125 HydrophobicContact CG1-CB 3.83Å; I23-A125 HydrophobicContact CG2-CB 4.26Å; R123-A125 VanDerWaalsContact C-N 3.27Å
126L98.2Very high95.1Very high0 Ų046 Ų460%024%0.239CC..EExtended strand (participates in β ladder)trans-141.1144.7-165.7-65.9160.9000113.2I18 I19 I23 I30 W93 L97 L113 R114 N124I18-L126 VanDerWaalsContact O-CA 3.28Å; I18-L126 WeakPolarHBondContact O-CA 3.29Å; I19-L126 HydrophobicContact CB-CD2 4.33Å; I19-L126 HydrophobicContact CG1-CD2 3.77Å; I23-L126 HydrophobicContact CD1-CD2 4.4Å; I23-L126 HydrophobicContact CD1-CG 4.43Å; I30-L126 HydrophobicContact CD1-CD2 4.37Å; I30-L126 HydrophobicContact CG2-CD2 4.23Å; W93-L126 HydrophobicContact CH2-CD1 4.35Å; W93-L126 HydrophobicContact CH2-CD2 4.39Å; W93-L126 HydrophobicContact CZ2-CD2 4.39Å; L97-L126 HydrophobicContact CD2-CB 3.34Å; L97-L126 HydrophobicContact CD2-CD1 3.57Å; L97-L126 HydrophobicContact CD2-CG 4.07Å; L113-L126 HydrophobicContact CB-CD1 3.36Å; L113-L126 HydrophobicContact CD1-CD1 3.6Å; L113-L126 HydrophobicContact CG-CD1 4.05Å; R114-L126 PolarHBondContact NE-O 3.31Å; R114-L126 PolarHBondContact NH2-O 3.39Å; R114-L126 VanDerWaalsContact NH2-O 3.15Å; N124-L126 PolarHBondContact O-N 3.03Å; N124-L126 PolarHBondContact OD1-O 3.29Å
127H98.1Very high94.8Very high24 Ų2447.4 Ų47.411%0.11124%0.239CC..EExtended strand (participates in β ladder)trans-115.5146.9172.8170.3102.8000111.2I18 F57 Y58 W93 E138I18-H127 HydrophobicContact CB-CB 4.04Å; I18-H127 HydrophobicContact CD1-CB 4.3Å; I18-H127 HydrophobicContact CG1-CB 4.34Å; I18-H127 PolarHBondContact N-O 2.97Å; I18-H127 VanDerWaalsContact N-O 3.1Å; I18-H127 PolarHBondContact O-N 3.39Å; F57-H127 AromaticContact CZ-NE2 3.96Å; Y58-H127 AromaticContact CE1-ND1 3.97Å; W93-H127 PolarHBondContact NE1-O 3.1Å; H127-E138 IonicContact CD2-OE2 2.66Å; H127-E138 IonicContact CE1-OE1 3.39Å; H127-E138 IonicContact CE1-OE2 3.12Å; H127-E138 IonicContact NE2-OE1 2.73Å; H127-E138 PolarHBondContact NE2-OE1 3.17Å; H127-E138 IonicContact NE2-OE2 3.7Å; H127-E138 PolarHBondContact NE2-OE2 2.76Å
128G97.6Very high94.7Very high3 Ų347 Ų473%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-141.1146171.700000110.1L16L16-G128 WeakPolarHBondContact O-CA 3.31Å
129S97.6Very high94.6Very high0 Ų046.9 Ų46.90%024%0.237CC..  trans-65.5142.7176.1-47.10000110.9L16 I90 A135 E138L16-S129 WeakPolarHBondContact CB-OG 3.33Å; L16-S129 PolarHBondContact N-OG 3.21Å; I90-S129 WeakPolarHBondContact CG2-O 3.27Å; S129-A135 WeakPolarHBondContact OG-CA 3.45Å; S129-E138 WeakPolarHBondContact CB-OE2 3.31Å; S129-E138 PolarHBondContact OG-OE2 3.47Å
130N94.4Very high94.5Very high98 Ų9848.3 Ų48.352%0.52424%0.237SC..SBendtrans-82.4-29.2-175-67.1-43.7000113.8
131D95.1Very high94.5Very high81 Ų8149.6 Ų49.643%0.43324%0.241SC..SBendtrans-153.8178.5-177.861.551.6000110.6A133 A134 A135D131-A133 PolarHBondContact O-N 2.61Å; D131-A133 WeakPolarHBondContact OD1-CB 3.08Å; D131-A133 PolarHBondContact OD1-N 2.92Å; D131-A134 PolarHBondContact O-N 3.44Å; D131-A134 PolarHBondContact OD1-N 3.5Å; D131-A135 WeakPolarHBondContact O-CB 3.44Å; D131-A135 PolarHBondContact O-N 2.88Å
132F91.7Very high94.6Very high108 Ų10845.4 Ų45.447%0.47422%0.218SC..Hα-helixtrans-62.2-39.9-177.9-69.9-87.2000113.2E13 I90 A135 E136E13-F132 HydrophobicContact CB-CE1 4.33Å; E13-F132 HydrophobicContact CG-CD1 4.25Å; E13-F132 HydrophobicContact CG-CE1 3.51Å; E13-F132 HydrophobicContact CG-CZ 4.18Å; E13-F132 WeakPolarHBondContact OE2-CE1 3.23Å; E13-F132 WeakPolarHBondContact OE2-CZ 3.49Å; I90-F132 HydrophobicContact CD1-CB 4.42Å; I90-F132 HydrophobicContact CD1-CD1 3.88Å; I90-F132 HydrophobicContact CD1-CD2 4.3Å; I90-F132 HydrophobicContact CD1-CE1 4.24Å; I90-F132 HydrophobicContact CD1-CG 3.93Å; F132-A135 PolarHBondContact O-N 3.32Å; F132-E136 PolarHBondContact O-N 3.47Å
133A89.8Confident94.6Very high56 Ų5643.8 Ų43.846%0.46321%0.209SC..Hα-helixtrans-69.6-40.7-178.500000110.5D131 R137D131-A133 PolarHBondContact O-N 2.61Å; D131-A133 WeakPolarHBondContact OD1-CB 3.08Å; D131-A133 PolarHBondContact OD1-N 2.92Å; A133-R137 VanDerWaalsContact O-CG 3.29Å; A133-R137 WeakPolarHBondContact O-CG 3.32Å; A133-R137 PolarHBondContact O-N 3.19Å
134A93.4Very high94.2Very high2 Ų242 Ų422%0.01721%0.211CC..Hα-helixtrans-61.3-47.5170.900000110.8D131 E136 R137 E138D131-A134 PolarHBondContact O-N 3.44Å; D131-A134 PolarHBondContact OD1-N 3.5Å; A134-E136 PolarHBondContact O-N 3.29Å; A134-R137 PolarHBondContact O-N 2.74Å; A134-E138 WeakPolarHBondContact O-CB 3.27Å; A134-E138 WeakPolarHBondContact O-CG 3.33Å; A134-E138 PolarHBondContact O-N 3.39Å
135A95.1Very high93.6Very high3 Ų350 Ų503%0.02525%0.249CC..Hα-helixtrans-58.7-47.6179.800000112.5I90 S129 D131 F132 E138 I139I90-A135 HydrophobicContact CD1-CB 4.03Å; I90-A135 HydrophobicContact CG1-CB 4.37Å; S129-A135 WeakPolarHBondContact OG-CA 3.45Å; D131-A135 WeakPolarHBondContact O-CB 3.44Å; D131-A135 PolarHBondContact O-N 2.88Å; F132-A135 PolarHBondContact O-N 3.32Å; A135-E138 PolarHBondContact O-N 3Å; A135-I139 VanDerWaalsContact O-CB 3.23Å; A135-I139 WeakPolarHBondContact O-CB 3.34Å; A135-I139 WeakPolarHBondContact O-CD1 3.49Å; A135-I139 WeakPolarHBondContact O-CG1 3.44Å; A135-I139 PolarHBondContact O-N 2.78Å
136E91.1Very high93Very high92 Ų9251.5 Ų51.543%0.4326%0.258SS..Hα-helixtrans-58.2-51.6176.5-85.9-173.8-171.200112.2F132 A134 E138 H140 V148F132-E136 PolarHBondContact O-N 3.47Å; A134-E136 PolarHBondContact O-N 3.29Å; E136-E138 PolarHBondContact O-N 2.86Å; E136-H140 WeakPolarHBondContact O-CB 3.38Å; E136-H140 PolarHBondContact O-N 2.73Å; E136-V148 HydrophobicContact CG-CB 4.38Å; E136-V148 HydrophobicContact CG-CG1 3.78Å
137R90.8Very high92.1Very high120 Ų12057.3 Ų57.345%0.45329%0.287SS..Hα-helixtrans-62.6-45.5-179.2-69.7-177.4-22.9-133.6-3.9112E60 A133 A134 H140 F141E60-R137 IonicContact OE1-CZ 2.62Å; E60-R137 IonicContact OE1-NH1 2.74Å; E60-R137 PolarHBondContact OE1-NH1 3.5Å; E60-R137 IonicContact OE1-NH2 3.77Å; E60-R137 PolarHBondContact OE1-NH2 2.74Å; E60-R137 IonicContact OE2-NH2 2.88Å; E60-R137 PolarHBondContact OE2-NH2 2.88Å; A133-R137 VanDerWaalsContact O-CG 3.29Å; A133-R137 WeakPolarHBondContact O-CG 3.32Å; A133-R137 PolarHBondContact O-N 3.19Å; A134-R137 PolarHBondContact O-N 2.74Å; R137-H140 PolarHBondContact O-N 3.39Å; R137-F141 WeakPolarHBondContact O-CB 3.46Å; R137-F141 PolarHBondContact O-N 2.74Å
138E95.9Very high90.9Very high16 Ų1657.5 Ų57.58%0.07529%0.29CS..Hα-helixtrans-68.4-40.9-177.1-71.6178-171.600111.3L16 F57 H127 S129 A134 A135 E136 F141 M142L16-E138 HydrophobicContact CB-CB 4.21Å; L16-E138 HydrophobicContact CD2-CB 3.64Å; F57-E138 HydrophobicContact CE2-CB 3.82Å; F57-E138 HydrophobicContact CE2-CG 3.7Å; F57-E138 HydrophobicContact CZ-CB 4.13Å; F57-E138 HydrophobicContact CZ-CG 3.76Å; H127-E138 IonicContact CD2-OE2 2.66Å; H127-E138 IonicContact CE1-OE1 3.39Å; H127-E138 IonicContact CE1-OE2 3.12Å; H127-E138 IonicContact NE2-OE1 2.73Å; H127-E138 PolarHBondContact NE2-OE1 3.17Å; H127-E138 IonicContact NE2-OE2 3.7Å; H127-E138 PolarHBondContact NE2-OE2 2.76Å; S129-E138 WeakPolarHBondContact CB-OE2 3.31Å; S129-E138 PolarHBondContact OG-OE2 3.47Å; A134-E138 WeakPolarHBondContact O-CB 3.27Å; A134-E138 WeakPolarHBondContact O-CG 3.33Å; A134-E138 PolarHBondContact O-N 3.39Å; A135-E138 PolarHBondContact O-N 3Å; E136-E138 PolarHBondContact O-N 2.86Å; E138-F141 PolarHBondContact O-N 3.33Å; E138-M142 WeakPolarHBondContact O-CG 3.49Å; E138-M142 PolarHBondContact O-N 2.9Å; E138-M142 VanDerWaalsContact O-N 3.11Å
139I95.4Very high89.9Confident1 Ų160.9 Ų60.91%0.00531%0.305CS..Hα-helixtrans-61.5-49172.5-70.8167.1000109.9K14 L16 I83 A135 F141 M142 F143 V146 V148K14-I139 HydrophobicContact CB-CD1 3.99Å; L16-I139 HydrophobicContact CB-CG1 4.07Å; L16-I139 HydrophobicContact CD1-CG1 4.39Å; I83-I139 HydrophobicContact CD1-CG2 3.64Å; I83-I139 HydrophobicContact CG1-CG1 4.42Å; I83-I139 HydrophobicContact CG1-CG2 4.05Å; I83-I139 HydrophobicContact CG2-CD1 4.19Å; A135-I139 VanDerWaalsContact O-CB 3.23Å; A135-I139 WeakPolarHBondContact O-CB 3.34Å; A135-I139 WeakPolarHBondContact O-CD1 3.49Å; A135-I139 WeakPolarHBondContact O-CG1 3.44Å; A135-I139 PolarHBondContact O-N 2.78Å; I139-F141 VanDerWaalsContact C-N 3.29Å; I139-F141 PolarHBondContact O-N 3.04Å; I139-M142 PolarHBondContact O-N 2.82Å; I139-F143 HydrophobicContact CG2-CD2 4.48Å; I139-F143 WeakPolarHBondContact O-CA 3.15Å; I139-F143 WeakPolarHBondContact O-CB 3.19Å; I139-F143 PolarHBondContact O-N 3.07Å; I139-V146 HydrophobicContact CG2-CG1 4.44Å; I139-V148 HydrophobicContact CB-CG2 4.23Å; I139-V148 HydrophobicContact CG2-CG2 3.66Å
140H92Very high88.7Confident111 Ų11164.3 Ų64.351%0.51433%0.328SS..Hα-helixtrans-60.9-38.7179.4-174.667.6000112.1E136 R137 M142 F143 P144E136-H140 WeakPolarHBondContact O-CB 3.38Å; E136-H140 PolarHBondContact O-N 2.73Å; R137-H140 PolarHBondContact O-N 3.39Å; H140-M142 PolarHBondContact O-N 3.18Å; H140-F143 CarbonylContact O-C 3.57Å; H140-P144 VanDerWaalsContact O-CA 3.24Å; H140-P144 WeakPolarHBondContact O-CA 3.27Å
141F92.7Very high87.9Confident79 Ų7964.6 Ų64.635%0.34633%0.328SS..Hα-helixtrans-61.1-44.1175.7-175-83.9000112.3L49 Q53 N56 F57 R137 E138 I139L49-F141 HydrophobicContact CD2-CE1 4.43Å; Q53-F141 HydrophobicContact CB-CZ 4.29Å; Q53-F141 WeakPolarHBondContact O-CZ 3.32Å; N56-F141 HydrophobicContact CB-CE2 4.15Å; F57-F141 HydrophobicContact CB-CD1 4.37Å; F57-F141 HydrophobicContact CB-CE1 3.94Å; F57-F141 HydrophobicContact CB-CE2 4.48Å; F57-F141 HydrophobicContact CB-CZ 4Å; F57-F141 HydrophobicContact CD2-CB 4.36Å; F57-F141 AromaticContact CD2-CD1 3.56Å; F57-F141 HydrophobicContact CD2-CD1 3.56Å; F57-F141 AromaticContact CD2-CE1 3.96Å; F57-F141 HydrophobicContact CD2-CE1 3.96Å; F57-F141 AromaticContact CD2-CG 3.95Å; F57-F141 HydrophobicContact CD2-CG 3.95Å; F57-F141 HydrophobicContact CE2-CD1 4.36Å; F57-F141 HydrophobicContact CG-CD1 4.38Å; F57-F141 HydrophobicContact CG-CE1 4.35Å; R137-F141 WeakPolarHBondContact O-CB 3.46Å; R137-F141 PolarHBondContact O-N 2.74Å; E138-F141 PolarHBondContact O-N 3.33Å; I139-F141 VanDerWaalsContact C-N 3.29Å; I139-F141 PolarHBondContact O-N 3.04Å
142M94.4Very high87.2Confident3 Ų364 Ų642%0.01533%0.328CS..Hα-helixtrans-83.8-28.2-176.3-65.4-64.9-175.600113.3L16 I18 R45 L47 L49 F57 T81 E138 I139 H140L16-M142 HydrophobicContact CD1-CB 4.24Å; L16-M142 HydrophobicContact CD1-CG 4.19Å; L16-M142 HydrophobicContact CD2-CG 3.91Å; I18-M142 HydrophobicContact CD1-CE 3.84Å; R45-M142 PolarHBondContact NH1-O 3.14Å; L47-M142 HydrophobicContact CD2-SD 4.07Å; L49-M142 HydrophobicContact CD1-CE 3.89Å; F57-M142 HydrophobicContact CD1-CE 4.46Å; F57-M142 HydrophobicContact CD2-CE 3.61Å; F57-M142 HydrophobicContact CE1-CE 4.39Å; F57-M142 HydrophobicContact CE2-CE 3.5Å; F57-M142 VanDerWaalsContact CE2-CE 3.5Å; F57-M142 HydrophobicContact CE2-CG 4.36Å; F57-M142 HydrophobicContact CG-CE 4.1Å; F57-M142 HydrophobicContact CZ-CE 3.93Å; T81-M142 HydrophobicContact CG2-CB 4.45Å; T81-M142 HydrophobicContact CG2-CE 4.14Å; T81-M142 HydrophobicContact CG2-CG 4.02Å; T81-M142 HydrophobicContact CG2-SD 3.73Å; E138-M142 WeakPolarHBondContact O-CG 3.49Å; E138-M142 PolarHBondContact O-N 2.9Å; E138-M142 VanDerWaalsContact O-N 3.11Å; I139-M142 PolarHBondContact O-N 2.82Å; H140-M142 PolarHBondContact O-N 3.18Å
143F93.4Very high86.8Confident8 Ų865.3 Ų65.34%0.03534%0.339CS..  trans-135.570.6-174-56-86.8000110.5L16 Q43 R45 T81 I83 I139 H140 E145 V146L16-F143 HydrophobicContact CD1-CD2 4.37Å; L16-F143 HydrophobicContact CD1-CE2 3.84Å; Q43-F143 HydrophobicContact CB-CD1 4.36Å; Q43-F143 HydrophobicContact CB-CE1 4.12Å; Q43-F143 HydrophobicContact CG-CD1 3.99Å; Q43-F143 HydrophobicContact CG-CE1 3.82Å; Q43-F143 VanDerWaalsContact OE1-CD1 3.29Å; R45-F143 HydrophobicContact CB-CE1 3.74Å; R45-F143 HydrophobicContact CB-CZ 4.18Å; T81-F143 VanDerWaalsContact OG1-CZ 3.26Å; T81-F143 WeakPolarHBondContact OG1-CZ 3.29Å; I83-F143 HydrophobicContact CD1-CB 4.06Å; I83-F143 HydrophobicContact CD1-CD1 4.3Å; I83-F143 HydrophobicContact CD1-CD2 3.69Å; I83-F143 HydrophobicContact CD1-CE2 4.16Å; I83-F143 HydrophobicContact CD1-CG 3.77Å; I83-F143 HydrophobicContact CG1-CD2 3.56Å; I83-F143 HydrophobicContact CG1-CE2 3.56Å; I83-F143 HydrophobicContact CG1-CG 4.12Å; I83-F143 HydrophobicContact CG1-CZ 4.11Å; I139-F143 HydrophobicContact CG2-CD2 4.48Å; I139-F143 WeakPolarHBondContact O-CA 3.15Å; I139-F143 WeakPolarHBondContact O-CB 3.19Å; I139-F143 PolarHBondContact O-N 3.07Å; H140-F143 CarbonylContact O-C 3.57Å; F143-E145 PolarHBondContact O-N 2.99Å; F143-E145 VanDerWaalsContact O-N 3.15Å; F143-V146 HydrophobicContact CB-CB 4.06Å; F143-V146 HydrophobicContact CB-CG2 3.63Å; F143-V146 HydrophobicContact CG-CG2 4.46Å; F143-V146 WeakPolarHBondContact O-CB 3.4Å; F143-V146 PolarHBondContact O-N 3Å
144P87.1Confident86.8Confident69 Ų6965.1 Ų65.145%0.44834%0.343SS..THydrogen-bonded Turntrans-62.9-25.4-172.623.8-34.7000114.1H140 V146H140-P144 VanDerWaalsContact O-CA 3.24Å; H140-P144 WeakPolarHBondContact O-CA 3.27Å; P144-V146 VanDerWaalsContact C-N 3.29Å; P144-V146 PolarHBondContact O-N 3.11Å
145E85.2Confident86.6Confident177 Ų17770.5 Ų70.583%0.82737%0.367SS*.THydrogen-bonded Turntrans-82-5.1178.3-54.2-55.3139.800113.3F143F143-E145 PolarHBondContact O-N 2.99Å; F143-E145 VanDerWaalsContact O-N 3.15Å
146V84.6Confident86.1Confident31 Ų3173 Ų7319%0.18839%0.388CS..  trans-86.7126.8-179.4173.90000110.6I83 I139 F143 P144 V148I83-V146 HydrophobicContact CD1-CB 4.31Å; I83-V146 HydrophobicContact CD1-CG1 3.98Å; I83-V146 HydrophobicContact CD1-CG2 3.91Å; I139-V146 HydrophobicContact CG2-CG1 4.44Å; F143-V146 HydrophobicContact CB-CB 4.06Å; F143-V146 HydrophobicContact CB-CG2 3.63Å; F143-V146 HydrophobicContact CG-CG2 4.46Å; F143-V146 WeakPolarHBondContact O-CB 3.4Å; F143-V146 PolarHBondContact O-N 3Å; P144-V146 VanDerWaalsContact C-N 3.29Å; P144-V146 PolarHBondContact O-N 3.11Å; V146-V148 HydrophobicContact CG1-CG2 4.42Å; V146-V148 PolarHBondContact O-N 3.42Å
147I78.6Confident86Confident121 Ų12169.8 Ų69.862%0.62138%0.377SS*.  trans-78.8111.8166.3-56.8174.8000107.7I151I147-I151 HydrophobicContact CG2-CD1 3.97Å; I147-I151 HydrophobicContact CG2-CG1 3.85Å
148V73Confident86Confident28 Ų2869.8 Ų69.817%0.1738%0.381CS..PPolyproline II helixtrans-83128.1170.5-168.60000108E136 I139 V146E136-V148 HydrophobicContact CG-CB 4.38Å; E136-V148 HydrophobicContact CG-CG1 3.78Å; I139-V148 HydrophobicContact CB-CG2 4.23Å; I139-V148 HydrophobicContact CG2-CG2 3.66Å; V146-V148 HydrophobicContact CG1-CG2 4.42Å; V146-V148 PolarHBondContact O-N 3.42Å
149E76.3Confident85.8Confident75 Ų7573 Ų7335%0.3540%0.398SS..SBendtrans-89.5160.1177-73-175.7146.200109.6Y11Y11-E149 HydrophobicContact CD2-CB 4.05Å; Y11-E149 HydrophobicContact CE2-CB 3.82Å; Y11-E149 WeakPolarHBondContact CE2-O 3.27Å; Y11-E149 PolarHBondContact OH-O 3.15Å
150P72.1Confident85.5Confident72 Ų7279 Ų7947%0.46842%0.422SS..SBendcis-74.8139.6-6.531.4-33.4000111.6P152P150-P152 WeakPolarHBondContact O-CD 3.34Å
151I77.9Confident85.5Confident103 Ų10377.7 Ų77.753%0.52842%0.418SS..PPolyproline II helixtrans-62.1126.6170.3-59.9175.1000107.5I147 I153I147-I151 HydrophobicContact CG2-CD1 3.97Å; I147-I151 HydrophobicContact CG2-CG1 3.85Å; I151-I153 PolarHBondContact O-N 3.26Å
152P80Confident85.5Confident68 Ų6878.7 Ų78.744%0.44243%0.427SS..PPolyproline II helixtrans-55132.5178.3-26.134.1000110.9P150 A156 A157P150-P152 WeakPolarHBondContact O-CD 3.34Å; P152-A156 HydrophobicContact CB-CB 4.05Å; P152-A157 HydrophobicContact CB-CB 4.44Å; P152-A157 WeakPolarHBondContact O-CB 3.39Å
153I83.7Confident85.3Confident137 Ų13784.5 Ų84.570%0.70346%0.458SS*.  trans-125.6162.9176.158.2169.7000110.7I151 Q155 A156I151-I153 PolarHBondContact O-N 3.26Å; I153-Q155 PolarHBondContact O-N 2.85Å; I153-A156 PolarHBondContact O-N 2.99Å
154G90.3Very high85Confident52 Ų5288.6 Ų88.654%0.53648%0.476SS..Hα-helixtrans61.1-124.9175.500000112.6K158G154-K158 WeakPolarHBondContact O-CG 3.2Å; G154-K158 PolarHBondContact O-N 3.36Å
155Q89.1Confident85.2Confident114 Ų11488.5 Ų88.553%0.53347%0.472SS..Hα-helixtrans-68.7-39.8-176.9-16958.143.100112.5I153 A157 K158 D159I153-Q155 PolarHBondContact O-N 2.85Å; Q155-A157 VanDerWaalsContact C-N 3.27Å; Q155-A157 PolarHBondContact O-N 3.16Å; Q155-K158 WeakPolarHBondContact O-CA 3.49Å; Q155-K158 WeakPolarHBondContact O-CB 3.39Å; Q155-K158 PolarHBondContact O-N 3.11Å; Q155-D159 PolarHBondContact NE2-OD1 3.28Å; Q155-D159 VanDerWaalsContact O-CG 3.22Å; Q155-D159 PolarHBondContact O-N 3.31Å
156A83.7Confident85.7Confident55 Ų5583.3 Ų83.346%0.45545%0.448SS..Hα-helixtrans-60.2-38.4178.500000112.1P152 I153 D159 Y160P152-A156 HydrophobicContact CB-CB 4.05Å; I153-A156 PolarHBondContact O-N 2.99Å; A156-D159 PolarHBondContact O-N 3.09Å; A156-Y160 WeakPolarHBondContact O-CB 3.33Å; A156-Y160 PolarHBondContact O-N 3.07Å
157A89.2Confident86.2Confident26 Ų2685.5 Ų85.522%0.21546%0.463CS..Hα-helixtrans-63.1-44.3173.200000112P152 Q155 Y160 L161P152-A157 HydrophobicContact CB-CB 4.44Å; P152-A157 WeakPolarHBondContact O-CB 3.39Å; Q155-A157 VanDerWaalsContact C-N 3.27Å; Q155-A157 PolarHBondContact O-N 3.16Å; A157-Y160 PolarHBondContact O-N 3.01Å; A157-L161 VanDerWaalsContact O-CG 3.29Å; A157-L161 WeakPolarHBondContact O-CG 3.39Å; A157-L161 PolarHBondContact O-N 3.3Å
158K92.1Very high87Confident120 Ų12080.9 Ų80.952%0.52244%0.441SS..Hα-helixtrans-63.1-43.2177.9-68.5175.3-177.31780111.5G154 Q155 L161 N162G154-K158 WeakPolarHBondContact O-CG 3.2Å; G154-K158 PolarHBondContact O-N 3.36Å; Q155-K158 WeakPolarHBondContact O-CA 3.49Å; Q155-K158 WeakPolarHBondContact O-CB 3.39Å; Q155-K158 PolarHBondContact O-N 3.11Å; K158-L161 PolarHBondContact O-N 3.1Å; K158-N162 WeakPolarHBondContact O-CB 3.28Å; K158-N162 PolarHBondContact O-N 3.24Å; K158-N162 PolarHBondContact O-ND2 2.99Å
159D91.3Very high88.1Confident83 Ų8381.8 Ų81.844%0.44444%0.444SS..Hα-helixtrans-63.7-44.7179.5-63.4-20.1000110.6Q155 A156 N162 L163Q155-D159 PolarHBondContact NE2-OD1 3.28Å; Q155-D159 VanDerWaalsContact O-CG 3.22Å; Q155-D159 PolarHBondContact O-N 3.31Å; A156-D159 PolarHBondContact O-N 3.09Å; D159-N162 PolarHBondContact O-N 2.59Å; D159-L163 VanDerWaalsContact O-CB 3.27Å; D159-L163 WeakPolarHBondContact O-CB 3.35Å; D159-L163 PolarHBondContact O-N 2.84Å
160Y88.3Confident89.1Confident127 Ų12783.1 Ų83.150%0.49845%0.453SS..Hα-helixtrans-58.7-49.7174.6-179.2-88.6000112A156 A157 N162 L163 H164 I165A156-Y160 WeakPolarHBondContact O-CB 3.33Å; A156-Y160 PolarHBondContact O-N 3.07Å; A157-Y160 PolarHBondContact O-N 3.01Å; Y160-N162 VanDerWaalsContact C-N 3.34Å; Y160-N162 PolarHBondContact O-N 3.32Å; Y160-L163 PolarHBondContact O-N 3.03Å; Y160-H164 AromaticContact CD2-CD2 3.42Å; Y160-H164 VanDerWaalsContact CD2-CD2 3.42Å; Y160-H164 WeakPolarHBondContact CD2-CD2 3.4Å; Y160-H164 HydrophobicContact CE1-CB 4.48Å; Y160-H164 AromaticContact CE2-CD2 3.55Å; Y160-H164 AromaticContact CG-CD2 3.97Å; Y160-H164 WeakPolarHBondContact O-CB 3.5Å; Y160-H164 PolarHBondContact O-CD2 3.24Å; Y160-H164 PolarHBondContact O-N 3.28Å; Y160-I165 HydrophobicContact CE1-CD1 4.48Å; Y160-I165 HydrophobicContact CE1-CG1 4.22Å
161L91.7Very high90.3Very high84 Ų8485 Ų8544%0.4446%0.455SS..Iπ-helixtrans-58.9-47.3178.1-71.2173.4000110.9A157 K158 L163 I165 M166A157-L161 VanDerWaalsContact O-CG 3.29Å; A157-L161 WeakPolarHBondContact O-CG 3.39Å; A157-L161 PolarHBondContact O-N 3.3Å; K158-L161 PolarHBondContact O-N 3.1Å; L161-L163 VanDerWaalsContact C-N 3.34Å; L161-L163 PolarHBondContact O-N 3.27Å; L161-I165 HydrophobicContact CD2-CB 4.2Å; L161-I165 HydrophobicContact CD2-CG1 3.98Å; L161-I165 CarbonylContact O-C 3.53Å; L161-I165 WeakPolarHBondContact O-CA 3.38Å; L161-I165 WeakPolarHBondContact O-CB 3.47Å; L161-I165 PolarHBondContact O-N 2.76Å; L161-M166 WeakPolarHBondContact O-CG 3.37Å; L161-M166 PolarHBondContact O-N 3.42Å
162N93.8Very high91.2Very high100 Ų10080 Ų8054%0.53543%0.43SS..Iπ-helixtrans-64.4-37.3-178.9-74.8-27.3000113.1K158 D159 Y160 P167K158-N162 WeakPolarHBondContact O-CB 3.28Å; K158-N162 PolarHBondContact O-N 3.24Å; K158-N162 PolarHBondContact O-ND2 2.99Å; D159-N162 PolarHBondContact O-N 2.59Å; Y160-N162 VanDerWaalsContact C-N 3.34Å; Y160-N162 PolarHBondContact O-N 3.32Å; N162-P167 WeakPolarHBondContact O-CD 3.33Å
163L90.1Very high92Very high125 Ų12580.1 Ų80.165%0.65443%0.427SS*.Iπ-helixtrans-80.2-38.5-177-173.360.1000112.4D159 Y160 L161D159-L163 VanDerWaalsContact O-CB 3.27Å; D159-L163 WeakPolarHBondContact O-CB 3.35Å; D159-L163 PolarHBondContact O-N 2.84Å; Y160-L163 PolarHBondContact O-N 3.03Å; L161-L163 VanDerWaalsContact C-N 3.34Å; L161-L163 PolarHBondContact O-N 3.27Å
164H87.7Confident92.7Very high93 Ų9376.7 Ų76.743%0.43141%0.412SS..Iπ-helixtrans-113-25.6-167.3-59.4-65.8000114.9Y160Y160-H164 AromaticContact CD2-CD2 3.42Å; Y160-H164 VanDerWaalsContact CD2-CD2 3.42Å; Y160-H164 WeakPolarHBondContact CD2-CD2 3.4Å; Y160-H164 HydrophobicContact CE1-CB 4.48Å; Y160-H164 AromaticContact CE2-CD2 3.55Å; Y160-H164 AromaticContact CG-CD2 3.97Å; Y160-H164 WeakPolarHBondContact O-CB 3.5Å; Y160-H164 PolarHBondContact O-CD2 3.24Å; Y160-H164 PolarHBondContact O-N 3.28Å
165I91.4Very high93.1Very high68 Ų6876.6 Ų76.635%0.34940%0.398SS..Iπ-helixtrans-112.2-50.3-171.6-54.8-59.5000111.5Y160 L161 P167 T168 L169Y160-I165 HydrophobicContact CE1-CD1 4.48Å; Y160-I165 HydrophobicContact CE1-CG1 4.22Å; L161-I165 HydrophobicContact CD2-CB 4.2Å; L161-I165 HydrophobicContact CD2-CG1 3.98Å; L161-I165 CarbonylContact O-C 3.53Å; L161-I165 WeakPolarHBondContact O-CA 3.38Å; L161-I165 WeakPolarHBondContact O-CB 3.47Å; L161-I165 PolarHBondContact O-N 2.76Å; I165-P167 VanDerWaalsContact C-CD 3.43Å; I165-T168 PolarHBondContact O-N 2.9Å; I165-L169 HydrophobicContact CG2-CB 4.3Å; I165-L169 HydrophobicContact CG2-CD2 4.2Å; I165-L169 VanDerWaalsContact O-CB 3.27Å; I165-L169 WeakPolarHBondContact O-CB 3.4Å; I165-L169 PolarHBondContact O-N 2.91Å
166M95Very high93.4Very high67 Ų6772.4 Ų72.433%0.3338%0.379SS..Hα-helixtrans-58.8-37.8-172.4-69.9-53.1-53.900114.7L161 T168 L169 L170L161-M166 WeakPolarHBondContact O-CG 3.37Å; L161-M166 PolarHBondContact O-N 3.42Å; M166-T168 PolarHBondContact O-N 3.47Å; M166-L169 PolarHBondContact O-N 2.86Å; M166-L169 HydrophobicContact SD-CD2 4.28Å; M166-L170 WeakPolarHBondContact O-CB 3.48Å; M166-L170 PolarHBondContact O-N 3.24Å
167P95.4Very high94.1Very high78 Ų7874.2 Ų74.251%0.50639%0.387SS..Hα-helixtrans-58.2-49.8-179.8-26.636.6000112.4N162 I165 E171N162-P167 WeakPolarHBondContact O-CD 3.33Å; I165-P167 VanDerWaalsContact C-CD 3.43Å; P167-E171 PolarHBondContact O-N 3.44Å
168T95.2Very high94.4Very high24 Ų2479.5 Ų79.515%0.14741%0.405CS..Hα-helixtrans-75.4-38.9179.2-52.50000111.9I165 M166 E171 G172 W191 L192 P197I165-T168 PolarHBondContact O-N 2.9Å; M166-T168 PolarHBondContact O-N 3.47Å; T168-E171 PolarHBondContact O-N 2.84Å; T168-G172 PolarHBondContact O-N 3.31Å; T168-W191 HydrophobicContact CG2-CZ3 4.04Å; T168-W191 WeakPolarHBondContact O-CZ3 3.46Å; T168-L192 HydrophobicContact CG2-CD2 4.04Å; T168-P197 WeakPolarHBondContact OG1-CD 3.49Å
169L96.5Very high94.6Very high46 Ų4679.3 Ų79.324%0.24141%0.406CS..Hα-helixtrans-65-42.4-179.7-179.260.4000111.9I165 M166 E171 G172 L173 L192I165-L169 HydrophobicContact CG2-CB 4.3Å; I165-L169 HydrophobicContact CG2-CD2 4.2Å; I165-L169 VanDerWaalsContact O-CB 3.27Å; I165-L169 WeakPolarHBondContact O-CB 3.4Å; I165-L169 PolarHBondContact O-N 2.91Å; M166-L169 PolarHBondContact O-N 2.86Å; M166-L169 HydrophobicContact SD-CD2 4.28Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 3.49Å; L169-G172 PolarHBondContact O-N 3.46Å; L169-L173 HydrophobicContact CD1-CD1 4.17Å; L169-L173 HydrophobicContact CD1-CG 4.14Å; L169-L173 HydrophobicContact CG-CD1 3.93Å; L169-L173 HydrophobicContact CG-CG 4.35Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 VanDerWaalsContact O-CG 3.28Å; L169-L173 WeakPolarHBondContact O-CG 3.46Å; L169-L173 PolarHBondContact O-N 3.04Å; L169-L192 HydrophobicContact CD1-CD1 4.18Å; L169-L192 HydrophobicContact CD1-CD2 4.44Å
170L96.8Very high94.9Very high103 Ų10383.5 Ų83.554%0.53942%0.421SS..Hα-helixtrans-65.1-39.6179.6-173.666.3000111.5M166 T174M166-L170 WeakPolarHBondContact O-CB 3.48Å; M166-L170 PolarHBondContact O-N 3.24Å; L170-T174 WeakPolarHBondContact O-CB 3.38Å; L170-T174 PolarHBondContact O-N 3.49Å; L170-T174 PolarHBondContact O-OG1 2.68Å
171E96.9Very high95.3Very high111 Ų11179 Ų7952%0.51941%0.406SS..Hα-helixtrans-62.4-48173.7-170.4-179.3-176.800111P167 T168 L169 L173 T174 E175 W191P167-E171 PolarHBondContact O-N 3.44Å; T168-E171 PolarHBondContact O-N 2.84Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 3.49Å; E171-L173 PolarHBondContact O-N 2.72Å; E171-T174 WeakPolarHBondContact O-CB 3.42Å; E171-T174 PolarHBondContact O-N 3.43Å; E171-T174 VanDerWaalsContact O-N 3.14Å; E171-E175 PolarHBondContact O-N 2.86Å; E171-W191 HydrophobicContact CB-CH2 3.8Å; E171-W191 HydrophobicContact CB-CZ2 4.46Å; E171-W191 HydrophobicContact CG-CH2 3.65Å; E171-W191 HydrophobicContact CG-CZ2 3.88Å
172G96.9Very high95.5Very high0 Ų080.4 Ų80.40%043%0.431CS..Hα-helixtrans-61.2-43177.800000113.4T168 L169 T174 E175 L176 L188T168-G172 PolarHBondContact O-N 3.31Å; L169-G172 PolarHBondContact O-N 3.46Å; G172-T174 VanDerWaalsContact C-N 3.31Å; G172-T174 PolarHBondContact O-N 3.15Å; G172-E175 PolarHBondContact O-N 3.1Å; G172-L176 WeakPolarHBondContact O-CB 3.02Å; G172-L176 PolarHBondContact O-N 2.78Å; G172-L188 VanDerWaalsContact C-CD1 3.48Å
173L97.6Very high95.6Very high70 Ų7079.6 Ų79.637%0.36643%0.426SS..Hα-helixtrans-64.5-36.4174.9-72.7171.5000112.1L169 E171 L176 C177 L188L169-L173 HydrophobicContact CD1-CD1 4.17Å; L169-L173 HydrophobicContact CD1-CG 4.14Å; L169-L173 HydrophobicContact CG-CD1 3.93Å; L169-L173 HydrophobicContact CG-CG 4.35Å; L169-L173 WeakPolarHBondContact O-CB 3.4Å; L169-L173 VanDerWaalsContact O-CG 3.28Å; L169-L173 WeakPolarHBondContact O-CG 3.46Å; L169-L173 PolarHBondContact O-N 3.04Å; E171-L173 PolarHBondContact O-N 2.72Å; L173-L176 HydrophobicContact CD2-CD2 4.48Å; L173-L176 PolarHBondContact O-N 2.86Å; L173-C177 PolarHBondContact O-N 2.97Å; L173-C177 VanDerWaalsContact O-N 3.1Å; L173-C177 PolarHBondContact O-SG 3.19Å; L173-C177 VanDerWaalsContact O-SG 3.38Å; L173-L188 HydrophobicContact CD2-CD2 3.7Å; L173-L188 HydrophobicContact CG-CD2 4.44Å
174T97.6Very high95.9Very high64 Ų6476.6 Ų76.639%0.39341%0.414SS..Hα-helixtrans-64.7-45.2175.5-61.20000110.8L170 E171 G172 C177 K178L170-T174 WeakPolarHBondContact O-CB 3.38Å; L170-T174 PolarHBondContact O-N 3.49Å; L170-T174 PolarHBondContact O-OG1 2.68Å; E171-T174 WeakPolarHBondContact O-CB 3.42Å; E171-T174 PolarHBondContact O-N 3.43Å; E171-T174 VanDerWaalsContact O-N 3.14Å; G172-T174 VanDerWaalsContact C-N 3.31Å; G172-T174 PolarHBondContact O-N 3.15Å; T174-C177 PolarHBondContact O-N 3.04Å; T174-K178 WeakPolarHBondContact O-CG 2.99Å; T174-K178 PolarHBondContact O-N 3.22Å
175E97.8Very high96.3Very high50 Ų5078.8 Ų78.823%0.23443%0.429CS..Hα-helixtrans-67.3-37.7177-69.9-56.8123.900112.5E171 G172 C177 K178 Q179 W187 W191E171-E175 PolarHBondContact O-N 2.86Å; G172-E175 PolarHBondContact O-N 3.1Å; E175-C177 VanDerWaalsContact C-N 3.33Å; E175-C177 PolarHBondContact O-N 2.8Å; E175-K178 WeakPolarHBondContact O-CB 3.39Å; E175-K178 PolarHBondContact O-N 2.96Å; E175-K178 VanDerWaalsContact O-N 3.12Å; E175-K178 WeakPolarHBondContact OE1-CD 3.32Å; E175-K178 IonicContact OE1-NZ 3.9Å; E175-K178 PolarHBondContact OE1-NZ 3.4Å; E175-Q179 PolarHBondContact O-N 3.47Å; E175-W187 HydrophobicContact CB-CH2 3.7Å; E175-W187 HydrophobicContact CB-CZ3 4.36Å; E175-W191 HydrophobicContact CG-CZ2 4.16Å
176L97.4Very high96.6Very high26 Ų2680.3 Ų80.314%0.13644%0.436CS..Hα-helixtrans-58.2-45.9174.817967.6000111.4G172 L173 K178 Q179 K180 P181 P184 W187 L188G172-L176 WeakPolarHBondContact O-CB 3.02Å; G172-L176 PolarHBondContact O-N 2.78Å; L173-L176 HydrophobicContact CD2-CD2 4.48Å; L173-L176 PolarHBondContact O-N 2.86Å; L176-K178 VanDerWaalsContact C-N 3.26Å; L176-K178 PolarHBondContact O-N 3.45Å; L176-Q179 PolarHBondContact O-N 3.03Å; L176-K180 PolarHBondContact O-N 3.42Å; L176-P181 HydrophobicContact CD1-CG 3.54Å; L176-P184 HydrophobicContact CD1-CB 3.82Å; L176-P184 WeakPolarHBondContact CD1-O 3.31Å; L176-P184 HydrophobicContact CD2-CB 4.13Å; L176-P184 HydrophobicContact CG-CB 4.41Å; L176-W187 HydrophobicContact CB-CE3 4Å; L176-W187 HydrophobicContact CB-CZ3 3.72Å; L176-W187 HydrophobicContact CD1-CD2 4.11Å; L176-W187 HydrophobicContact CD1-CE3 3.45Å; L176-W187 VanDerWaalsContact CD1-CE3 3.45Å; L176-W187 HydrophobicContact CD1-CZ3 4.08Å; L176-W187 HydrophobicContact CG-CE3 4.33Å; L176-L188 HydrophobicContact CD2-CB 4.3Å; L176-L188 HydrophobicContact CD2-CD2 4.29Å
177C96.6Very high96.7Very high93 Ų9379.7 Ų79.763%0.62843%0.43SS*.Hα-helixtrans-63.1-30.8177.3-75.90000113.2L173 T174 E175 K180L173-C177 PolarHBondContact O-N 2.97Å; L173-C177 VanDerWaalsContact O-N 3.1Å; L173-C177 PolarHBondContact O-SG 3.19Å; L173-C177 VanDerWaalsContact O-SG 3.38Å; T174-C177 PolarHBondContact O-N 3.04Å; E175-C177 VanDerWaalsContact C-N 3.33Å; E175-C177 PolarHBondContact O-N 2.8Å; C177-K180 WeakPolarHBondContact O-CE 3.39Å; C177-K180 WeakPolarHBondContact O-CG 3.41Å
178K96.6Very high96.8Very high137 Ų13777.1 Ų77.160%0.59641%0.412SS*.Hα-helixtrans-74-46.3176-69.2172.8-172.6168.80111.7T174 E175 L176T174-K178 WeakPolarHBondContact O-CG 2.99Å; T174-K178 PolarHBondContact O-N 3.22Å; E175-K178 WeakPolarHBondContact O-CB 3.39Å; E175-K178 PolarHBondContact O-N 2.96Å; E175-K178 VanDerWaalsContact O-N 3.12Å; E175-K178 WeakPolarHBondContact OE1-CD 3.32Å; E175-K178 IonicContact OE1-NZ 3.9Å; E175-K178 PolarHBondContact OE1-NZ 3.4Å; L176-K178 VanDerWaalsContact C-N 3.26Å; L176-K178 PolarHBondContact O-N 3.45Å
179Q96.4Very high96.8Very high117 Ų11778.1 Ų78.155%0.54742%0.423SS..Hα-helixtrans-80.9-31.4-173.4-64.1-152.323.700113.9E175 L176 W187E175-Q179 PolarHBondContact O-N 3.47Å; L176-Q179 PolarHBondContact O-N 3.03Å; Q179-W187 HydrophobicContact CB-CZ2 4.31Å; Q179-W187 VanDerWaalsContact CD-CZ2 3.48Å; Q179-W187 HydrophobicContact CG-CZ2 4.03Å
180K96.3Very high96.8Very high171 Ų17180.6 Ų80.674%0.74344%0.436SS*.  trans47.255.6-178.1-57.5-179.1-179.1176.70112.9L176 C177L176-K180 PolarHBondContact O-N 3.42Å; C177-K180 WeakPolarHBondContact O-CE 3.39Å; C177-K180 WeakPolarHBondContact O-CG 3.41Å
181P96.9Very high96.7Very high31 Ų3177.1 Ų77.120%0.20142%0.416CS..  trans-63.6158.9-179.732-39000111.4L176 D183 W187L176-P181 HydrophobicContact CD1-CG 3.54Å; P181-D183 VanDerWaalsContact C-N 3.26Å; P181-D183 PolarHBondContact O-N 3.19Å; P181-W187 HydrophobicContact CB-CB 3.99Å; P181-W187 HydrophobicContact CB-CG 3.85Å; P181-W187 HydrophobicContact CG-CB 3.6Å; P181-W187 HydrophobicContact CG-CD2 4Å; P181-W187 HydrophobicContact CG-CG 3.53Å
182A95.8Very high96.6Very high115 Ų11574.4 Ų74.495%0.9541%0.405SS*.SBendtrans-62.4-33178.300000113
183D97.2Very high96.4Very high83 Ų8379.8 Ų79.844%0.44443%0.433SS..SBendtrans-119.294171.8-168.6-30.4000110.4P181 L185 I186 W187P181-D183 VanDerWaalsContact C-N 3.26Å; P181-D183 PolarHBondContact O-N 3.19Å; D183-L185 VanDerWaalsContact C-N 3.32Å; D183-L185 PolarHBondContact O-N 3.44Å; D183-L185 PolarHBondContact OD1-N 2.93Å; D183-I186 HydrophobicContact CB-CB 4.41Å; D183-I186 PolarHBondContact OD1-N 3.38Å; D183-I186 VanDerWaalsContact OD1-N 3.13Å; D183-I186 VanDerWaalsContact OD2-CG1 3.27Å; D183-I186 WeakPolarHBondContact OD2-CG1 3.35Å; D183-W187 WeakPolarHBondContact O-CB 3.43Å; D183-W187 PolarHBondContact O-N 2.69Å
184P96.6Very high96.1Very high62 Ų6284.9 Ų84.940%0.40345%0.452SS..Hα-helixtrans-63.3-31.8-178.6-27.437.3000115.1L176 L188L176-P184 HydrophobicContact CD1-CB 3.82Å; L176-P184 WeakPolarHBondContact CD1-O 3.31Å; L176-P184 HydrophobicContact CD2-CB 4.13Å; L176-P184 HydrophobicContact CG-CB 4.41Å; P184-L188 VanDerWaalsContact O-CB 3.29Å; P184-L188 WeakPolarHBondContact O-CB 3.44Å; P184-L188 PolarHBondContact O-N 3.23Å; P184-L188 VanDerWaalsContact O-N 3.08Å
185L96.4Very high95.8Very high139 Ų13984.4 Ų84.473%0.72845%0.448SS*.Hα-helixtrans-76.1-50.2-174.4-71.6174.9000110.9D183 W187 L188 A189D183-L185 VanDerWaalsContact C-N 3.32Å; D183-L185 PolarHBondContact O-N 3.44Å; D183-L185 PolarHBondContact OD1-N 2.93Å; L185-W187 VanDerWaalsContact C-N 3.32Å; L185-W187 PolarHBondContact O-N 3.29Å; L185-L188 PolarHBondContact O-N 2.93Å; L185-A189 WeakPolarHBondContact O-CB 3.35Å; L185-A189 PolarHBondContact O-N 3.02Å
186I96.6Very high95.3Very high100 Ų10084.9 Ų84.951%0.51345%0.451SS..Hα-helixtrans-62.9-43.7178.1-62.1-61.3000110.1D183 L188 A189 D190D183-I186 HydrophobicContact CB-CB 4.41Å; D183-I186 PolarHBondContact OD1-N 3.38Å; D183-I186 VanDerWaalsContact OD1-N 3.13Å; D183-I186 VanDerWaalsContact OD2-CG1 3.27Å; D183-I186 WeakPolarHBondContact OD2-CG1 3.35Å; I186-L188 VanDerWaalsContact C-N 3.35Å; I186-L188 PolarHBondContact O-N 3Å; I186-A189 PolarHBondContact O-N 3.23Å; I186-D190 PolarHBondContact O-N 3.07Å
187W97.8Very high94.7Very high53 Ų5387.9 Ų87.920%0.20147%0.473CS..Hα-helixtrans-59.7-44.4178-174.599.7000112.3E175 L176 Q179 P181 D183 L185 D190 W191E175-W187 HydrophobicContact CB-CH2 3.7Å; E175-W187 HydrophobicContact CB-CZ3 4.36Å; L176-W187 HydrophobicContact CB-CE3 4Å; L176-W187 HydrophobicContact CB-CZ3 3.72Å; L176-W187 HydrophobicContact CD1-CD2 4.11Å; L176-W187 HydrophobicContact CD1-CE3 3.45Å; L176-W187 VanDerWaalsContact CD1-CE3 3.45Å; L176-W187 HydrophobicContact CD1-CZ3 4.08Å; L176-W187 HydrophobicContact CG-CE3 4.33Å; Q179-W187 HydrophobicContact CB-CZ2 4.31Å; Q179-W187 VanDerWaalsContact CD-CZ2 3.48Å; Q179-W187 HydrophobicContact CG-CZ2 4.03Å; P181-W187 HydrophobicContact CB-CB 3.99Å; P181-W187 HydrophobicContact CB-CG 3.85Å; P181-W187 HydrophobicContact CG-CB 3.6Å; P181-W187 HydrophobicContact CG-CD2 4Å; P181-W187 HydrophobicContact CG-CG 3.53Å; D183-W187 WeakPolarHBondContact O-CB 3.43Å; D183-W187 PolarHBondContact O-N 2.69Å; L185-W187 VanDerWaalsContact C-N 3.32Å; L185-W187 PolarHBondContact O-N 3.29Å; W187-D190 PolarHBondContact O-N 2.96Å; W187-W191 HydrophobicContact CE3-CB 4.17Å; W187-W191 HydrophobicContact CH2-CB 4.09Å; W187-W191 AromaticContact CH2-CD1 3.24Å; W187-W191 AromaticContact CH2-CG 3.78Å; W187-W191 HydrophobicContact CH2-CG 3.78Å; W187-W191 AromaticContact CH2-NE1 3.93Å; W187-W191 AromaticContact CZ2-CD1 3.77Å; W187-W191 HydrophobicContact CZ2-CG 4.49Å; W187-W191 HydrophobicContact CZ3-CB 3.84Å; W187-W191 AromaticContact CZ3-CD1 3.83Å; W187-W191 AromaticContact CZ3-CG 3.88Å; W187-W191 HydrophobicContact CZ3-CG 3.88Å; W187-W191 VanDerWaalsContact O-CB 3.31Å; W187-W191 WeakPolarHBondContact O-CB 3.24Å; W187-W191 PolarHBondContact O-N 2.9Å
188L97.1Very high93.8Very high24 Ų2489.9 Ų89.913%0.12648%0.477CS..Hα-helixtrans-67.1-39.8179.1-178.762.7000111.4G172 L173 L176 P184 L185 I186 W191 L192G172-L188 VanDerWaalsContact C-CD1 3.48Å; L173-L188 HydrophobicContact CD2-CD2 3.7Å; L173-L188 HydrophobicContact CG-CD2 4.44Å; L176-L188 HydrophobicContact CD2-CB 4.3Å; L176-L188 HydrophobicContact CD2-CD2 4.29Å; P184-L188 VanDerWaalsContact O-CB 3.29Å; P184-L188 WeakPolarHBondContact O-CB 3.44Å; P184-L188 PolarHBondContact O-N 3.23Å; P184-L188 VanDerWaalsContact O-N 3.08Å; L185-L188 PolarHBondContact O-N 2.93Å; I186-L188 VanDerWaalsContact C-N 3.35Å; I186-L188 PolarHBondContact O-N 3Å; L188-W191 PolarHBondContact O-N 2.99Å; L188-L192 HydrophobicContact CD1-CD1 4.33Å; L188-L192 HydrophobicContact CD1-CG 4.2Å; L188-L192 HydrophobicContact CG-CD1 4.03Å; L188-L192 HydrophobicContact CG-CG 4.35Å; L188-L192 WeakPolarHBondContact O-CB 3.18Å; L188-L192 VanDerWaalsContact O-CG 3.25Å; L188-L192 WeakPolarHBondContact O-CG 3.09Å; L188-L192 PolarHBondContact O-N 3.4Å
189A95.7Very high92.7Very high46 Ų4689.8 Ų89.838%0.3848%0.477SS..Hα-helixtrans-59.1-49.7175.600000111.2L185 I186 W191 L192 L193L185-A189 WeakPolarHBondContact O-CB 3.35Å; L185-A189 PolarHBondContact O-N 3.02Å; I186-A189 PolarHBondContact O-N 3.23Å; A189-W191 VanDerWaalsContact C-N 3.32Å; A189-W191 PolarHBondContact O-N 3.38Å; A189-L192 PolarHBondContact O-N 2.89Å; A189-L193 VanDerWaalsContact O-CG 3.31Å; A189-L193 WeakPolarHBondContact O-CG 3.05Å; A189-L193 PolarHBondContact O-N 3.39Å
190D95.2Very high90.7Very high97 Ų9789.4 Ų89.452%0.51948%0.484SS..Hα-helixtrans-61.6-41.2177.1-72.9-21.6000111.9I186 W187 L193 K194I186-D190 PolarHBondContact O-N 3.07Å; W187-D190 PolarHBondContact O-N 2.96Å; D190-L193 PolarHBondContact O-N 3.28Å; D190-K194 WeakPolarHBondContact O-CB 3.34Å; D190-K194 PolarHBondContact O-N 2.81Å
191W95.9Very high88.5Confident31 Ų3189.5 Ų89.512%0.11749%0.485CS..Hα-helixtrans-61.4-46.1176.5-170.9100.7000111.3T168 E171 E175 W187 L188 A189 K194 N195T168-W191 HydrophobicContact CG2-CZ3 4.04Å; T168-W191 WeakPolarHBondContact O-CZ3 3.46Å; E171-W191 HydrophobicContact CB-CH2 3.8Å; E171-W191 HydrophobicContact CB-CZ2 4.46Å; E171-W191 HydrophobicContact CG-CH2 3.65Å; E171-W191 HydrophobicContact CG-CZ2 3.88Å; E175-W191 HydrophobicContact CG-CZ2 4.16Å; W187-W191 HydrophobicContact CE3-CB 4.17Å; W187-W191 HydrophobicContact CH2-CB 4.09Å; W187-W191 AromaticContact CH2-CD1 3.24Å; W187-W191 AromaticContact CH2-CG 3.78Å; W187-W191 HydrophobicContact CH2-CG 3.78Å; W187-W191 AromaticContact CH2-NE1 3.93Å; W187-W191 AromaticContact CZ2-CD1 3.77Å; W187-W191 HydrophobicContact CZ2-CG 4.49Å; W187-W191 HydrophobicContact CZ3-CB 3.84Å; W187-W191 AromaticContact CZ3-CD1 3.83Å; W187-W191 AromaticContact CZ3-CG 3.88Å; W187-W191 HydrophobicContact CZ3-CG 3.88Å; W187-W191 VanDerWaalsContact O-CB 3.31Å; W187-W191 WeakPolarHBondContact O-CB 3.24Å; W187-W191 PolarHBondContact O-N 2.9Å; L188-W191 PolarHBondContact O-N 2.99Å; A189-W191 VanDerWaalsContact C-N 3.32Å; A189-W191 PolarHBondContact O-N 3.38Å; W191-K194 PolarHBondContact O-N 2.79Å; W191-N195 HydrophobicContact CD2-CB 4.38Å; W191-N195 VanDerWaalsContact CE2-ND2 3.27Å; W191-N195 HydrophobicContact CE3-CB 4.07Å; W191-N195 HydrophobicContact CH2-CB 3.8Å; W191-N195 HydrophobicContact CZ2-CB 4.16Å; W191-N195 HydrophobicContact CZ3-CB 3.77Å; W191-N195 WeakPolarHBondContact O-CB 3.26Å; W191-N195 PolarHBondContact O-N 2.98Å; W191-N195 PolarHBondContact O-ND2 3.48Å
192L94.8Very high86Confident53 Ų5395 Ų9528%0.27751%0.512SS..Hα-helixtrans-64.7-41.1178.4-71.5170.6000111.6T168 L169 L188 A189 K194 N195 N196T168-L192 HydrophobicContact CG2-CD2 4.04Å; L169-L192 HydrophobicContact CD1-CD1 4.18Å; L169-L192 HydrophobicContact CD1-CD2 4.44Å; L188-L192 HydrophobicContact CD1-CD1 4.33Å; L188-L192 HydrophobicContact CD1-CG 4.2Å; L188-L192 HydrophobicContact CG-CD1 4.03Å; L188-L192 HydrophobicContact CG-CG 4.35Å; L188-L192 WeakPolarHBondContact O-CB 3.18Å; L188-L192 VanDerWaalsContact O-CG 3.25Å; L188-L192 WeakPolarHBondContact O-CG 3.09Å; L188-L192 PolarHBondContact O-N 3.4Å; A189-L192 PolarHBondContact O-N 2.89Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 2.93Å; L192-N195 CarbonylContact O-C 3.55Å; L192-N195 PolarHBondContact O-N 3.23Å; L192-N196 WeakPolarHBondContact O-CB 3.29Å; L192-N196 PolarHBondContact O-N 3.5Å
193L91.3Very high83.3Confident114 Ų11494 Ų9460%0.59750%0.496SS*.Hα-helixtrans-62.4-38.5176.2-71.3172.4000112.1A189 D190A189-L193 VanDerWaalsContact O-CG 3.31Å; A189-L193 WeakPolarHBondContact O-CG 3.05Å; A189-L193 PolarHBondContact O-N 3.39Å; D190-L193 PolarHBondContact O-N 3.28Å
194K91.5Very high80.4Confident176 Ų17698.3 Ų98.377%0.76551%0.514SS*.Hα-helixtrans-74.2-32.5178.7-173.2176.2-179.2179.60113.1D190 W191 L192D190-K194 WeakPolarHBondContact O-CB 3.34Å; D190-K194 PolarHBondContact O-N 2.81Å; W191-K194 PolarHBondContact O-N 2.79Å; L192-K194 VanDerWaalsContact C-N 3.3Å; L192-K194 PolarHBondContact O-N 2.93Å
195N92.3Very high77.6Confident55 Ų55102.6 Ų102.629%0.29453%0.528SS..SBendtrans-106.817.7-175.4-63.7-76000113.3W191 L192 P197W191-N195 HydrophobicContact CD2-CB 4.38Å; W191-N195 VanDerWaalsContact CE2-ND2 3.27Å; W191-N195 HydrophobicContact CE3-CB 4.07Å; W191-N195 HydrophobicContact CH2-CB 3.8Å; W191-N195 HydrophobicContact CZ2-CB 4.16Å; W191-N195 HydrophobicContact CZ3-CB 3.77Å; W191-N195 WeakPolarHBondContact O-CB 3.26Å; W191-N195 PolarHBondContact O-N 2.98Å; W191-N195 PolarHBondContact O-ND2 3.48Å; L192-N195 CarbonylContact O-C 3.55Å; L192-N195 PolarHBondContact O-N 3.23Å; N195-P197 VanDerWaalsContact O-CD 3.29Å; N195-P197 WeakPolarHBondContact O-CD 3.48Å
196N87.8Confident74.9Confident59 Ų59101.3 Ų101.332%0.31653%0.528SS..  trans-65.2115.7177.9-176-11.6000110.4L192 N198 K199L192-N196 WeakPolarHBondContact O-CB 3.29Å; L192-N196 PolarHBondContact O-N 3.5Å; N196-N198 PolarHBondContact O-N 3.29Å; N196-N198 WeakPolarHBondContact OD1-CB 3.46Å; N196-N198 PolarHBondContact OD1-N 3.16Å; N196-K199 HydrophobicContact CB-CB 4.15Å; N196-K199 PolarHBondContact O-N 3.06Å
197P84.3Confident72.2Confident89 Ų89104.1 Ų104.158%0.57854%0.542SS*.THydrogen-bonded Turntrans-66.1-19.1-179.328.4-35.9000113T168 N195T168-P197 WeakPolarHBondContact OG1-CD 3.49Å; N195-P197 VanDerWaalsContact O-CD 3.29Å; N195-P197 WeakPolarHBondContact O-CD 3.48Å
198N77.4Confident69.5Low136 Ų136107.5 Ų107.573%0.72757%0.568SS**THydrogen-bonded Turntrans-91.6-1.7-179.1-56.4-49.1000113N196N196-N198 PolarHBondContact O-N 3.29Å; N196-N198 WeakPolarHBondContact OD1-CB 3.46Å; N196-N198 PolarHBondContact OD1-N 3.16Å
199K72.7Confident66.8Low135 Ų135114.6 Ų114.659%0.58760%0.601SS**SBendtrans-102.4126.1175.5-162.4173.7-176.2178.80109.5N196 K201N196-K199 HydrophobicContact CB-CB 4.15Å; N196-K199 PolarHBondContact O-N 3.06Å; K199-K201 PolarHBondContact O-N 2.77Å
200P55.6Low64Low108 Ų108120.6 Ų120.670%0.70162%0.621SS**  trans-60.7130.1175.622-29.8000110L202P200-L202 PolarHBondContact O-N 3.32Å; P200-L202 VanDerWaalsContact O-N 3.16Å
201K48.8Very low62Low173 Ų173121.9 Ų121.975%0.75264%0.635SS**  trans-74103.7174.2-66.6-179.2-179.2178.10107.8K199 C203K199-K201 PolarHBondContact O-N 2.77Å; K201-C203 PolarHBondContact O-N 3.28Å
202L44.9Very low60Low148 Ų148135.1 Ų135.178%0.77569%0.687SS**  trans-66.995.6172.2-68171.4000108.6P200 H204P200-L202 PolarHBondContact O-N 3.32Å; P200-L202 VanDerWaalsContact O-N 3.16Å; L202-H204 PolarHBondContact O-N 3.38Å; L202-H204 VanDerWaalsContact O-N 3.15Å
203C38.7Very low58.2Low92 Ų92139.3 Ų139.362%0.62271%0.708SS**  trans-74.798.3167.9-66.90000107.8K201 H205K201-C203 PolarHBondContact O-N 3.28Å; C203-H205 VanDerWaalsContact C-N 3.26Å; C203-H205 PolarHBondContact O-N 3.19Å; C203-H205 PolarHBondContact O-ND1 3.24Å
204H37.9Very low56.5Low175 Ų175140.6 Ų140.681%0.8171%0.713SS**  trans-60.593.8164-72.8-69.8000108.3L202L202-H204 PolarHBondContact O-N 3.38Å; L202-H204 VanDerWaalsContact O-N 3.15Å
205H37.3Very low54.6Low152 Ų152138.6 Ų138.670%0.70471%0.71SS**  trans-74.1123.3162.9-7345.5000105.6C203 I207C203-H205 VanDerWaalsContact C-N 3.26Å; C203-H205 PolarHBondContact O-N 3.19Å; C203-H205 PolarHBondContact O-ND1 3.24Å; H205-I207 PolarHBondContact O-N 2.91Å
206P39.2Very low52.3Low112 Ų112143.5 Ų143.573%0.72774%0.735SS**  trans-56.4127.5169.822.8-29.7000107.4V208P206-V208 PolarHBondContact O-N 3.43Å
207I39.6Very low50.1Low158 Ų158148.8 Ų148.881%0.8176%0.761SS**  trans-57108.5174.2-61.1165.2000105.7H205 E209H205-I207 PolarHBondContact O-N 2.91Å; I207-E209 PolarHBondContact O-N 2.94Å
208V41.8Very low47.8Very low124 Ų124152.8 Ų152.875%0.75277%0.773SS**  trans-75.5104.6167.9-177.60000104.7P206 E210P206-V208 PolarHBondContact O-N 3.43Å; V208-E210 PolarHBondContact O-N 2.66Å; V208-E210 VanDerWaalsContact O-N 3.11Å
209E41.1Very low45.7Very low174 Ų174154 Ų15481%0.81378%0.777SS**  trans-61110.5165.7-73.2-178163.300107.3I207I207-E209 PolarHBondContact O-N 2.94Å
210E35.6Very low43.7Very low172 Ų172155.5 Ų155.580%0.80479%0.791SS**  trans-67.3126.1167.9-76-172.2162.700108.4V208V208-E210 PolarHBondContact O-N 2.66Å; V208-E210 VanDerWaalsContact O-N 3.11Å
211P53.3Low42.7Very low124 Ų124159.4 Ų159.481%0.80580%0.799SS**  trans-70.7133.117427.6-29.9000109.9
212Y54Low42.1Very low309 Ų309158.2 Ų158.2100%1.21280%0.803SS**  trans-56.60174.3-70.2-88.5000113.6

Retrieved 212 of 212 residues in 557.3 ms (Link to these results)

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