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Thiamine pyrophosphokinase

Catalyzes the phosphorylation of thiamine to thiamine pyrophosphate (TPP) utilizing UTP and therefore links the biosynthesis of TPP to pyrimidines metabolism. By producing thiamine pyrophosphate, a cofactor of the mitochondrial pyruvate dehydrogenase indirectly regulates pyruvate oxidation and lipogenesis. Although it can also catalyze thiamine phosphorylation using ATP and CTP in vitro, it does so with significantly lower efficiency and without physiological relevance evidence.

AlphaFold DB (Q9H3S4), UniProt , Accession A0A090N8Y0, Species HUMAN (Homo sapiens, Human), Gene TPK1, Length 243 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
1M74.6Confident94.8Very high218 Ų21854.1 Ų54.1100%1.07429%0.285SS*.  0138.30-152.7174.2-78.700106
2E91.6Very high94.9Very high88 Ų8853.7 Ų53.741%0.41128%0.283SS..EExtended strand (participates in β ladder)trans-94.4130.8-179.5-172.9-179.1-125.300108.8K169 R171E2-K169 WeakPolarHBondContact CA-O 3.49Å; E2-K169 HydrophobicContact CG-CB 4.39Å; E2-R171 VanDerWaalsContact CD-NE 3.31Å; E2-R171 HydrophobicContact CG-CB 3.97Å; E2-R171 IonicContact OE1-CZ 3.83Å; E2-R171 IonicContact OE1-NE 3.5Å; E2-R171 PolarHBondContact OE1-NE 2.97Å; E2-R171 IonicContact OE1-NH2 3.67Å; E2-R171 PolarHBondContact OE1-NH2 3.28Å; E2-R171 IonicContact OE2-CZ 2.69Å; E2-R171 IonicContact OE2-NE 2.61Å; E2-R171 PolarHBondContact OE2-NE 2.93Å; E2-R171 IonicContact OE2-NH2 3.92Å; E2-R171 PolarHBondContact OE2-NH2 2.81Å
3H95.3Very high94.6Very high97 Ų9756.8 Ų56.845%0.44931%0.312SS..EExtended strand (participates in β ladder)trans-88.9106176.7-64-77.1000109.5K169 H170 R171H3-K169 PolarHBondContact N-O 2.99Å; H3-H170 AromaticContact CD2-CE1 3.95Å; H3-H170 CarbonylContact O-C 3.55Å; H3-H170 WeakPolarHBondContact O-CA 3.25Å; H3-R171 PolarHBondContact O-N 2.87Å
4A97.3Very high94.2Very high72 Ų7260.6 Ų60.660%0.59534%0.337SS*.EExtended strand (participates in β ladder)trans-87.9132175.200000110.6R171A4-R171 CarbonylContact C-O 3.58Å; A4-R171 WeakPolarHBondContact CA-O 3.44Å
5F98Very high93.9Very high23 Ų2359.1 Ų59.110%0.10134%0.342CS..EExtended strand (participates in β ladder)trans-151.1147.5179.9-173.9-122.9000111.6P7 V121 P152 I154 Y163 R171 L172 H173F5-P7 HydrophobicContact CD1-CB 4.4Å; F5-P7 HydrophobicContact CD1-CG 3.91Å; F5-P7 HydrophobicContact CE1-CB 4.03Å; F5-P7 HydrophobicContact CE1-CG 4.05Å; F5-V121 HydrophobicContact CE2-CB 4.29Å; F5-V121 HydrophobicContact CE2-CG2 4.13Å; F5-V121 HydrophobicContact CZ-CG2 3.93Å; F5-P152 HydrophobicContact CE2-CB 4.32Å; F5-I154 HydrophobicContact CE1-CG2 3.69Å; F5-I154 HydrophobicContact CZ-CG2 3.69Å; F5-Y163 AromaticContact CD1-CD1 3.9Å; F5-Y163 HydrophobicContact CD1-CD1 3.9Å; F5-Y163 AromaticContact CD1-CE1 3.64Å; F5-Y163 HydrophobicContact CD1-CE1 3.64Å; F5-Y163 HydrophobicContact CE1-CD1 4.09Å; F5-Y163 HydrophobicContact CE1-CD2 4.46Å; F5-Y163 HydrophobicContact CE1-CE1 4.13Å; F5-Y163 HydrophobicContact CE1-CG 4.27Å; F5-Y163 HydrophobicContact CG-CE1 4.39Å; F5-R171 PolarHBondContact N-O 2.84Å; F5-L172 HydrophobicContact CB-CD2 4.21Å; F5-L172 HydrophobicContact CD1-CD2 4.41Å; F5-L172 CarbonylContact O-C 3.59Å; F5-L172 VanDerWaalsContact O-CA 3.3Å; F5-L172 WeakPolarHBondContact O-CA 3.26Å; F5-H173 PolarHBondContact O-N 3.44Å
6T98.3Very high93.8Very high30 Ų3064.2 Ų64.218%0.18437%0.367CS..  trans-120.592.5177.9-49.60000108.7L8 E9 H173 T176T6-L8 VanDerWaalsContact C-N 3.32Å; T6-L8 PolarHBondContact O-N 3.47Å; T6-E9 HydrophobicContact CG2-CB 3.8Å; T6-E9 WeakPolarHBondContact O-CB 3.49Å; T6-E9 PolarHBondContact O-N 2.7Å; T6-H173 HydrophobicContact CG2-CB 3.98Å; T6-T176 HydrophobicContact CG2-CG2 3.45Å; T6-T176 VanDerWaalsContact CG2-CG2 3.45Å
7P98.1Very high93.9Very high0 Ų062.1 Ų62.10%035%0.354CS..THydrogen-bonded Turntrans-59-36.6-165.5-27.234.9000115.5F5 I154 L161 L172 H173 M239F5-P7 HydrophobicContact CD1-CB 4.4Å; F5-P7 HydrophobicContact CD1-CG 3.91Å; F5-P7 HydrophobicContact CE1-CB 4.03Å; F5-P7 HydrophobicContact CE1-CG 4.05Å; P7-I154 WeakPolarHBondContact O-CD1 3.36Å; P7-L161 HydrophobicContact CB-CD1 4.06Å; P7-L161 HydrophobicContact CB-CD2 4.18Å; P7-L172 HydrophobicContact CG-CD2 4.47Å; P7-H173 WeakPolarHBondContact CD-O 3.42Å; P7-M239 HydrophobicContact CB-SD 3.6Å; P7-M239 VanDerWaalsContact CB-SD 3.6Å; P7-M239 HydrophobicContact CG-SD 3.92Å
8L97.9Very high94.2Very high0 Ų063.9 Ų63.90%036%0.357CS..THydrogen-bonded Turntrans-98.86-176.1-58.2-176.9000113.8T6 P10 L11 L161 T176 M178 E179 M239 I241T6-L8 VanDerWaalsContact C-N 3.32Å; T6-L8 PolarHBondContact O-N 3.47Å; L8-P10 VanDerWaalsContact C-N 3.3Å; L8-L11 HydrophobicContact CB-CD1 4.39Å; L8-L11 HydrophobicContact CD2-CD1 3.87Å; L8-L11 WeakPolarHBondContact O-CB 3.3Å; L8-L11 PolarHBondContact O-N 3.5Å; L8-L161 HydrophobicContact CD2-CB 4.39Å; L8-L161 HydrophobicContact CD2-CD1 3.47Å; L8-L161 VanDerWaalsContact CD2-CD1 3.47Å; L8-T176 HydrophobicContact CB-CG2 4.45Å; L8-M178 HydrophobicContact CB-CB 4.1Å; L8-M178 VanDerWaalsContact CD1-C 3.49Å; L8-M178 HydrophobicContact CD1-CB 3.93Å; L8-M178 WeakPolarHBondContact CD1-O 3.37Å; L8-E179 HydrophobicContact CD1-CB 4.46Å; L8-E179 HydrophobicContact CD1-CG 4.03Å; L8-M239 HydrophobicContact CD1-CE 3.64Å; L8-M239 HydrophobicContact CD1-SD 4.5Å; L8-M239 HydrophobicContact CD2-SD 4.48Å; L8-M239 HydrophobicContact CG-CE 3.85Å; L8-M239 HydrophobicContact CG-SD 4.17Å; L8-I241 HydrophobicContact CD2-CD1 4.28Å; L8-I241 HydrophobicContact CD2-CG1 3.87Å
9E97.7Very high94.4Very high56 Ų5660.6 Ų60.626%0.26234%0.339SS..G310 helixtrans-53.8-37.6175-174.5177.8178.500113.7T6 L11 L12 L17T6-E9 HydrophobicContact CG2-CB 3.8Å; T6-E9 WeakPolarHBondContact O-CB 3.49Å; T6-E9 PolarHBondContact O-N 2.7Å; E9-L11 PolarHBondContact O-N 3.09Å; E9-L11 VanDerWaalsContact O-N 3.12Å; E9-L12 HydrophobicContact CG-CD1 4.34Å; E9-L12 WeakPolarHBondContact O-CB 3.37Å; E9-L12 PolarHBondContact O-N 3.26Å; E9-L17 HydrophobicContact CB-CD2 4.05Å; E9-L17 HydrophobicContact CG-CB 4.23Å; E9-L17 HydrophobicContact CG-CD2 4Å
10P97.4Very high94.6Very high1 Ų157.6 Ų57.61%0.00632%0.322CS..G310 helixtrans-55.8-29.6175.2-25.132.3000114.4L8 L12 L17 Y19 L35 V121 V123 I154L8-P10 VanDerWaalsContact C-N 3.3Å; P10-L12 VanDerWaalsContact C-N 3.32Å; P10-L17 HydrophobicContact CB-CD2 4.23Å; P10-L17 HydrophobicContact CG-CD2 3.52Å; P10-Y19 HydrophobicContact CB-CD1 4.46Å; P10-Y19 HydrophobicContact CB-CE1 4.28Å; P10-L35 HydrophobicContact CB-CD2 3.79Å; P10-L35 VanDerWaalsContact O-CD2 3.29Å; P10-L35 WeakPolarHBondContact O-CD2 3.1Å; P10-V121 HydrophobicContact CG-CG1 4.25Å; P10-V123 HydrophobicContact CB-CG2 3.83Å; P10-V123 HydrophobicContact CG-CG2 3.72Å; P10-I154 HydrophobicContact CG-CD1 3.99Å
11L96.7Very high94.8Very high10 Ų1054.8 Ų54.85%0.05231%0.307CS..G310 helixtrans-79.1-14-178.7-58.9177.9000113L8 E9 Y31 H34 L35 I156 M178 I241L8-L11 HydrophobicContact CB-CD1 4.39Å; L8-L11 HydrophobicContact CD2-CD1 3.87Å; L8-L11 WeakPolarHBondContact O-CB 3.3Å; L8-L11 PolarHBondContact O-N 3.5Å; E9-L11 PolarHBondContact O-N 3.09Å; E9-L11 VanDerWaalsContact O-N 3.12Å; L11-Y31 HydrophobicContact CD2-CD2 4.08Å; L11-Y31 HydrophobicContact CD2-CG 4.14Å; L11-H34 PolarHBondContact O-CD2 3.06Å; L11-H34 PolarHBondContact O-NE2 2.96Å; L11-L35 HydrophobicContact CD2-CD1 3.95Å; L11-L35 HydrophobicContact CD2-CD2 4.03Å; L11-L35 HydrophobicContact CD2-CG 4.16Å; L11-I156 HydrophobicContact CD2-CD1 4.48Å; L11-M178 HydrophobicContact CB-CE 4.18Å; L11-M178 HydrophobicContact CB-CG 4.29Å; L11-I241 HydrophobicContact CD1-CD1 4.33Å; L11-I241 HydrophobicContact CD1-CG2 3.58Å
12L95.8Very high96Very high49 Ų4944.4 Ų44.426%0.25726%0.255SS..  trans-66.1138.4177.5-67.6178.6000111.4E9 P10 T14 H34 K38 T176 M178E9-L12 HydrophobicContact CG-CD1 4.34Å; E9-L12 WeakPolarHBondContact O-CB 3.37Å; E9-L12 PolarHBondContact O-N 3.26Å; P10-L12 VanDerWaalsContact C-N 3.32Å; L12-T14 VanDerWaalsContact CB-O 3.3Å; L12-T14 WeakPolarHBondContact CB-O 3.38Å; L12-H34 PolarHBondContact O-CE1 2.69Å; L12-H34 VanDerWaalsContact O-CE1 3.3Å; L12-H34 PolarHBondContact O-NE2 2.95Å; L12-K38 PolarHBondContact O-NZ 3.42Å; L12-T176 HydrophobicContact CD1-CG2 4.31Å; L12-M178 HydrophobicContact CD2-CG 4.12Å
13S91.2Very high96.3Very high95 Ų9540.2 Ų40.266%0.66424%0.236SC*.SBendtrans-59.9-48.917857.90000110.8K38S13-K38 PolarHBondContact O-NZ 2.92Å
14T89.3Confident96.5Very high109 Ų10936.2 Ų36.267%0.66922%0.217SC*.SBendtrans-95.9163.7174.157.20000111.7L12L12-T14 VanDerWaalsContact CB-O 3.3Å; L12-T14 WeakPolarHBondContact CB-O 3.38Å
15G89.2Confident96.6Very high39 Ų3935.3 Ų35.340%0.40220%0.203SC..  trans129.2156178.200000112
16N92Very high96.6Very high140 Ų14036.1 Ų36.175%0.74921%0.207SC*.  trans-1075.4-173.5-71.2-24.4000113.7K18N16-K18 WeakPolarHBondContact O-CD 3.35Å; N16-K18 WeakPolarHBondContact O-CE 3.21Å; N16-K18 PolarHBondContact O-N 3.44Å
17L96.9Very high96.6Very high28 Ų2838.3 Ų38.315%0.14722%0.221CC..  trans-50.1129.4-179.9-169.372000111.1E9 P10 Y19 D120 V121E9-L17 HydrophobicContact CB-CD2 4.05Å; E9-L17 HydrophobicContact CG-CB 4.23Å; E9-L17 HydrophobicContact CG-CD2 4Å; P10-L17 HydrophobicContact CB-CD2 4.23Å; P10-L17 HydrophobicContact CG-CD2 3.52Å; L17-Y19 HydrophobicContact CD2-CD1 4.25Å; L17-Y19 HydrophobicContact CG-CD1 4.37Å; L17-D120 HydrophobicContact CD1-CB 3.64Å; L17-D120 HydrophobicContact CG-CB 4.43Å; L17-V121 HydrophobicContact CD2-CG1 3.82Å; L17-V121 HydrophobicContact CG-CG1 4.25Å
18K97.9Very high96.6Very high95 Ų9539.2 Ų39.241%0.41323%0.226SC..  trans-98.5113.8179.6-59-53.8178.2-170.40109N16 L40 K118 D120 V121N16-K18 WeakPolarHBondContact O-CD 3.35Å; N16-K18 WeakPolarHBondContact O-CE 3.21Å; N16-K18 PolarHBondContact O-N 3.44Å; K18-L40 HydrophobicContact CB-CD1 3.86Å; K18-L40 HydrophobicContact CD-CD1 4.49Å; K18-L40 HydrophobicContact CD-CD2 4.36Å; K18-K118 VanDerWaalsContact CB-O 3.26Å; K18-K118 WeakPolarHBondContact CB-O 3.29Å; K18-D120 WeakPolarHBondContact CB-OD2 3.49Å; K18-D120 PolarHBondContact N-OD2 2.95Å; K18-D120 WeakPolarHBondContact O-CA 3.26Å; K18-D120 WeakPolarHBondContact O-CB 3.33Å; K18-D120 PolarHBondContact O-N 2.97Å; K18-V121 PolarHBondContact O-N 3.49Å
19Y98.7Very high96.3Very high1 Ų140.6 Ų40.60%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-138.7155.8-178.563.6-94000113.5P10 L17 L35 K38 A39 L40 V121 V123P10-Y19 HydrophobicContact CB-CD1 4.46Å; P10-Y19 HydrophobicContact CB-CE1 4.28Å; L17-Y19 HydrophobicContact CD2-CD1 4.25Å; L17-Y19 HydrophobicContact CG-CD1 4.37Å; Y19-L35 HydrophobicContact CE2-CD2 4.28Å; Y19-L35 WeakPolarHBondContact CE2-O 3.3Å; Y19-L35 VanDerWaalsContact OH-CA 3.26Å; Y19-L35 WeakPolarHBondContact OH-CA 3.39Å; Y19-L35 PolarHBondContact OH-O 3.07Å; Y19-K38 HydrophobicContact CE1-CB 4.17Å; Y19-K38 WeakPolarHBondContact OH-CB 3.46Å; Y19-A39 HydrophobicContact CD2-CB 4.04Å; Y19-A39 HydrophobicContact CE2-CB 3.73Å; Y19-A39 CarbonylContact O-C 3.54Å; Y19-A39 WeakPolarHBondContact O-CA 3.13Å; Y19-L40 PolarHBondContact O-N 2.9Å; Y19-V121 WeakPolarHBondContact CA-O 3.28Å; Y19-V121 WeakPolarHBondContact CB-O 3.42Å; Y19-V123 HydrophobicContact CD2-CB 4.38Å; Y19-V123 HydrophobicContact CD2-CG2 3.89Å; Y19-V123 HydrophobicContact CE2-CG2 4.49Å; Y19-V123 HydrophobicContact CG-CG2 4.11Å
20C98.8Very high95.8Very high0 Ų044.8 Ų44.80%026%0.258CS..EExtended strand (participates in β ladder)trans-99.8153.6165.4-64.20000109.8L41 L108 V121 I122 V123C20-L41 CarbonylContact C-O 3.6Å; C20-L41 WeakPolarHBondContact CA-O 3.44Å; C20-L41 HydrophobicContact CB-CB 4.47Å; C20-L108 HydrophobicContact CB-CD1 4Å; C20-L108 HydrophobicContact CB-CD2 3.83Å; C20-L108 HydrophobicContact CB-CG 4.38Å; C20-V121 PolarHBondContact N-O 3.29Å; C20-I122 HydrophobicContact CB-CG1 4.46Å; C20-V123 PolarHBondContact O-N 3.01Å
21L98.9Very high95.6Very high0 Ų047.1 Ų47.10%027%0.267CS..EExtended strand (participates in β ladder)trans-116.7129-179.5-170.566000110.2L35 W36 A39 L41 R42 A43 V123 L125L21-L35 HydrophobicContact CD1-CB 4.11Å; L21-L35 HydrophobicContact CD1-CD1 4.45Å; L21-L35 HydrophobicContact CD2-CB 4.27Å; L21-W36 HydrophobicContact CD2-CB 4.23Å; L21-W36 HydrophobicContact CD2-CE3 4.07Å; L21-A39 HydrophobicContact CB-CB 3.82Å; L21-L41 PolarHBondContact N-O 2.98Å; L21-R42 HydrophobicContact CB-CG 4.24Å; L21-R42 HydrophobicContact CD2-CG 4.42Å; L21-R42 CarbonylContact O-C 3.51Å; L21-R42 VanDerWaalsContact O-CA 3.28Å; L21-R42 WeakPolarHBondContact O-CA 3.48Å; L21-A43 PolarHBondContact O-N 2.63Å; L21-V123 CarbonylContact C-O 3.58Å; L21-V123 WeakPolarHBondContact CA-O 3.24Å; L21-V123 HydrophobicContact CD1-CB 4.05Å; L21-V123 HydrophobicContact CD1-CG1 4Å; L21-L125 HydrophobicContact CD1-CD1 3.97Å; L21-L125 HydrophobicContact CD1-CG 3.87Å
22V98.9Very high95.7Very high0 Ų046.7 Ų46.70%026%0.264CS..EExtended strand (participates in β ladder)trans-117.8129.8174177.40000108.5L24 A43 F101 L105 L108 I122 V123 T124 L125V22-L24 HydrophobicContact CG1-CD2 3.82Å; V22-A43 CarbonylContact C-O 3.51Å; V22-A43 WeakPolarHBondContact CA-O 3.33Å; V22-F101 HydrophobicContact CG1-CD2 4.39Å; V22-F101 HydrophobicContact CG1-CE2 4.48Å; V22-L105 HydrophobicContact CG2-CD2 4.44Å; V22-L108 HydrophobicContact CG2-CD2 3.66Å; V22-I122 HydrophobicContact CG2-CG2 3.92Å; V22-V123 PolarHBondContact N-O 2.84Å; V22-T124 HydrophobicContact CB-CG2 4.27Å; V22-T124 HydrophobicContact CG1-CG2 4.22Å; V22-T124 CarbonylContact O-C 3.54Å; V22-T124 WeakPolarHBondContact O-CA 3.35Å; V22-L125 PolarHBondContact O-N 3.28Å
23I98.9Very high95.7Very high0 Ų047.9 Ų47.90%027%0.266CS..EExtended strand (participates in β ladder)trans-109.8120.9177.6-63.2177.8000109.3L28 W36 A43 C44 A45 L52I23-L28 HydrophobicContact CD1-CD1 4.32Å; I23-L28 HydrophobicContact CD1-CD2 4.33Å; I23-L28 HydrophobicContact CG1-CD2 4.32Å; I23-L28 HydrophobicContact CG2-CD1 4.28Å; I23-L28 HydrophobicContact CG2-CD2 3.88Å; I23-L28 HydrophobicContact CG2-CG 4.34Å; I23-W36 HydrophobicContact CD1-CE3 4.04Å; I23-W36 HydrophobicContact CD1-CZ3 3.8Å; I23-A43 PolarHBondContact N-O 2.7Å; I23-C44 WeakPolarHBondContact O-CA 3.29Å; I23-A45 PolarHBondContact O-N 3.45Å; I23-L52 HydrophobicContact CD1-CB 4.49Å; I23-L52 HydrophobicContact CD1-CD1 3.94Å; I23-L52 HydrophobicContact CD1-CD2 4.39Å
24L98.8Very high96Very high12 Ų1246 Ų466%0.06325%0.246CC..  trans-95.9172.5176.2-54.5-169.9000111.7V22 Q26 A45 G48 F101 T124 L125V22-L24 HydrophobicContact CG1-CD2 3.82Å; L24-Q26 PolarHBondContact O-N 3.44Å; L24-A45 HydrophobicContact CD2-CB 3.61Å; L24-G48 WeakPolarHBondContact O-CA 3.42Å; L24-F101 HydrophobicContact CD1-CB 4.18Å; L24-F101 HydrophobicContact CD1-CD1 3.89Å; L24-F101 HydrophobicContact CD1-CD2 4.14Å; L24-F101 HydrophobicContact CD1-CE1 4.32Å; L24-F101 HydrophobicContact CD1-CG 3.81Å; L24-F101 HydrophobicContact CD2-CB 3.85Å; L24-F101 HydrophobicContact CD2-CD2 3.7Å; L24-F101 HydrophobicContact CD2-CE2 4.48Å; L24-F101 HydrophobicContact CD2-CG 3.86Å; L24-F101 HydrophobicContact CG-CD2 4.49Å; L24-T124 HydrophobicContact CD1-CG2 3.63Å; L24-T124 HydrophobicContact CD2-CG2 4.16Å; L24-T124 HydrophobicContact CG-CG2 3.63Å; L24-L125 WeakPolarHBondContact CB-O 3.34Å; L24-L125 PolarHBondContact N-O 3.39Å
25N98.6Very high96.4Very high54 Ų5440.9 Ų40.929%0.28922%0.215SC..SBendtrans-77.463.1-177-170.76.5000113.1G47 R51N25-G47 PolarHBondContact OD1-O 2.94Å; N25-R51 PolarHBondContact OD1-NE 3.47Å; N25-R51 PolarHBondContact OD1-NH2 3.26Å
26Q98.5Very high96.8Very high40 Ų4039.4 Ų39.419%0.18720%0.197CC..SBendtrans-138.2159.3174.7-77.5-63.1-6500111.1L24 L28 R51L24-Q26 PolarHBondContact O-N 3.44Å; Q26-L28 PolarHBondContact O-N 2.86Å; Q26-R51 WeakPolarHBondContact O-CB 3.16Å; Q26-R51 WeakPolarHBondContact O-CD 3.2Å; Q26-R51 WeakPolarHBondContact O-CG 3.42Å
27P98.2Very high97.1Very high75 Ų7538 Ų3849%0.48719%0.189SC..PPolyproline II helixtrans-49.7135.8171.3-25.435.4000111.5
28L97.5Very high97.1Very high19 Ų1939.6 Ų39.610%0.09920%0.195CC..PPolyproline II helixtrans-87.8131.8178.7-80.1171000110.5I23 Q26 F32 R51 L52 I55 L125I23-L28 HydrophobicContact CD1-CD1 4.32Å; I23-L28 HydrophobicContact CD1-CD2 4.33Å; I23-L28 HydrophobicContact CG1-CD2 4.32Å; I23-L28 HydrophobicContact CG2-CD1 4.28Å; I23-L28 HydrophobicContact CG2-CD2 3.88Å; I23-L28 HydrophobicContact CG2-CG 4.34Å; Q26-L28 PolarHBondContact O-N 2.86Å; L28-F32 HydrophobicContact CB-CB 4.45Å; L28-F32 HydrophobicContact CB-CD1 4.05Å; L28-F32 HydrophobicContact CB-CG 4.26Å; L28-F32 HydrophobicContact CD1-CD2 4.23Å; L28-F32 HydrophobicContact CD1-CG 4.28Å; L28-F32 HydrophobicContact CD2-CB 4.08Å; L28-F32 HydrophobicContact CD2-CG 4.41Å; L28-R51 HydrophobicContact CD1-CB 4.31Å; L28-R51 HydrophobicContact CG-CB 4.29Å; L28-L52 HydrophobicContact CD1-CB 4.36Å; L28-L52 HydrophobicContact CD1-CD1 4.27Å; L28-I55 HydrophobicContact CB-CD1 3.91Å; L28-I55 HydrophobicContact CB-CG2 4.38Å; L28-I55 HydrophobicContact CD1-CG2 3.76Å; L28-I55 WeakPolarHBondContact O-CD1 3.35Å; L28-L125 HydrophobicContact CD2-CB 4.05Å; L28-L125 HydrophobicContact CD2-CD1 3.86Å
29D93.6Very high97.1Very high29 Ų2935.4 Ų35.416%0.15518%0.178CC..PPolyproline II helixtrans-79.6155.6177.4-54.5-66.5000112.2Y31 F32 E158D29-Y31 HydrophobicContact CB-CD1 4.08Å; D29-Y31 HydrophobicContact CB-CD2 4.16Å; D29-Y31 HydrophobicContact CB-CE1 3.56Å; D29-Y31 HydrophobicContact CB-CE2 3.62Å; D29-Y31 HydrophobicContact CB-CG 4.35Å; D29-Y31 WeakPolarHBondContact CB-OH 3.32Å; D29-Y31 PolarHBondContact O-N 2.78Å; D29-Y31 PolarHBondContact OD2-OH 3.48Å; D29-F32 WeakPolarHBondContact O-CB 3.42Å; D29-F32 VanDerWaalsContact O-CD1 3.28Å; D29-F32 WeakPolarHBondContact O-CD1 3.32Å; D29-F32 PolarHBondContact O-N 2.99Å; D29-E158 VanDerWaalsContact CG-N 3.34Å; D29-E158 WeakPolarHBondContact OD1-CA 3.44Å; D29-E158 PolarHBondContact OD1-N 3.04Å; D29-E158 PolarHBondContact OD2-N 3.31Å
30N86.7Confident97.1Very high144 Ų14438 Ų3877%0.7719%0.191SC*.THydrogen-bonded Turntrans-57.1-28.9-173.2-72.5-31.5000114.7F32N30-F32 PolarHBondContact O-N 2.81Å
31Y93Very high97Very high51 Ų5138.2 Ų38.220%0.219%0.193CC..THydrogen-bonded Turntrans-71.2-7.2176.951.4-112.6000113.8L11 D29 R33 H34 L35 L125 I156 E158L11-Y31 HydrophobicContact CD2-CD2 4.08Å; L11-Y31 HydrophobicContact CD2-CG 4.14Å; D29-Y31 HydrophobicContact CB-CD1 4.08Å; D29-Y31 HydrophobicContact CB-CD2 4.16Å; D29-Y31 HydrophobicContact CB-CE1 3.56Å; D29-Y31 HydrophobicContact CB-CE2 3.62Å; D29-Y31 HydrophobicContact CB-CG 4.35Å; D29-Y31 WeakPolarHBondContact CB-OH 3.32Å; D29-Y31 PolarHBondContact O-N 2.78Å; D29-Y31 PolarHBondContact OD2-OH 3.48Å; Y31-R33 VanDerWaalsContact C-N 3.26Å; Y31-R33 PolarHBondContact O-N 3.49Å; Y31-H34 WeakPolarHBondContact O-CB 3.47Å; Y31-H34 PolarHBondContact O-N 3.13Å; Y31-H34 VanDerWaalsContact O-N 3.16Å; Y31-L35 HydrophobicContact CD2-CD1 3.83Å; Y31-L35 HydrophobicContact CE2-CD1 4.34Å; Y31-L35 PolarHBondContact O-N 3.35Å; Y31-L35 VanDerWaalsContact O-N 3.12Å; Y31-L125 HydrophobicContact CE2-CD2 4.02Å; Y31-I156 HydrophobicContact CE2-CG2 3.61Å; Y31-I156 WeakPolarHBondContact OH-CG2 3.39Å; Y31-E158 PolarHBondContact OH-N 3.05Å; Y31-E158 PolarHBondContact OH-O 3.43Å; Y31-E158 VanDerWaalsContact OH-O 3.11Å
32F97.8Very high97Very high0 Ų040.3 Ų40.30%020%0.201CC..Hα-helixtrans-58.9-36.5-179.493.4-92.1000112.4L28 D29 N30 H34 L35 W36 L52 I55 T56 F63 L125L28-F32 HydrophobicContact CB-CB 4.45Å; L28-F32 HydrophobicContact CB-CD1 4.05Å; L28-F32 HydrophobicContact CB-CG 4.26Å; L28-F32 HydrophobicContact CD1-CD2 4.23Å; L28-F32 HydrophobicContact CD1-CG 4.28Å; L28-F32 HydrophobicContact CD2-CB 4.08Å; L28-F32 HydrophobicContact CD2-CG 4.41Å; D29-F32 WeakPolarHBondContact O-CB 3.42Å; D29-F32 VanDerWaalsContact O-CD1 3.28Å; D29-F32 WeakPolarHBondContact O-CD1 3.32Å; D29-F32 PolarHBondContact O-N 2.99Å; N30-F32 PolarHBondContact O-N 2.81Å; F32-H34 VanDerWaalsContact C-N 3.34Å; F32-H34 PolarHBondContact O-N 2.95Å; F32-L35 PolarHBondContact O-N 3.23Å; F32-W36 VanDerWaalsContact O-CB 3.26Å; F32-W36 WeakPolarHBondContact O-CB 3.43Å; F32-W36 PolarHBondContact O-N 3.28Å; F32-L52 HydrophobicContact CD2-CD1 4.49Å; F32-L52 HydrophobicContact CE2-CD1 4.01Å; F32-I55 HydrophobicContact CD1-CD1 4.12Å; F32-I55 HydrophobicContact CE1-CB 4.45Å; F32-I55 HydrophobicContact CE1-CD1 3.67Å; F32-I55 HydrophobicContact CE1-CG1 3.95Å; F32-I55 HydrophobicContact CE1-CG2 3.64Å; F32-I55 HydrophobicContact CE2-CG2 4.26Å; F32-I55 HydrophobicContact CZ-CG2 3.52Å; F32-T56 HydrophobicContact CE2-CG2 4.02Å; F32-T56 HydrophobicContact CZ-CG2 3.8Å; F32-F63 HydrophobicContact CE2-CD1 4Å; F32-F63 AromaticContact CE2-CE1 3.99Å; F32-F63 HydrophobicContact CE2-CE1 3.99Å; F32-L125 HydrophobicContact CB-CD1 3.66Å
33R97.4Very high97Very high75 Ų7540.3 Ų40.328%0.28320%0.201SC..Hα-helixtrans-63.9-41.1179.7-69.9-174.6171.376.34.5111.5Y31 W36 N37 I55 E59 F63Y31-R33 VanDerWaalsContact C-N 3.26Å; Y31-R33 PolarHBondContact O-N 3.49Å; R33-W36 PolarHBondContact O-N 2.98Å; R33-N37 PolarHBondContact O-N 3.28Å; R33-N37 PolarHBondContact O-ND2 2.9Å; R33-N37 VanDerWaalsContact O-ND2 3.14Å; R33-I55 PolarHBondContact NH2-O 2.87Å; R33-E59 IonicContact CZ-OE1 2.86Å; R33-E59 IonicContact NE-OE1 2.79Å; R33-E59 PolarHBondContact NE-OE1 2.86Å; R33-E59 IonicContact NH2-OE1 3.21Å; R33-E59 PolarHBondContact NH2-OE1 2.83Å; R33-F63 HydrophobicContact CB-CE1 4.41Å; R33-F63 HydrophobicContact CB-CZ 4.43Å; R33-F63 HydrophobicContact CG-CE1 4.06Å; R33-F63 HydrophobicContact CG-CZ 3.93Å
34H96.1Very high97Very high56 Ų5640.3 Ų40.326%0.25920%0.201SC..Hα-helixtrans-62.7-47.6175.6174.159.3000111L11 L12 Y31 F32 W36 N37 K38L11-H34 PolarHBondContact O-CD2 3.06Å; L11-H34 PolarHBondContact O-NE2 2.96Å; L12-H34 PolarHBondContact O-CE1 2.69Å; L12-H34 VanDerWaalsContact O-CE1 3.3Å; L12-H34 PolarHBondContact O-NE2 2.95Å; Y31-H34 WeakPolarHBondContact O-CB 3.47Å; Y31-H34 PolarHBondContact O-N 3.13Å; Y31-H34 VanDerWaalsContact O-N 3.16Å; F32-H34 VanDerWaalsContact C-N 3.34Å; F32-H34 PolarHBondContact O-N 2.95Å; H34-W36 PolarHBondContact O-N 3.35Å; H34-N37 PolarHBondContact O-N 3.42Å; H34-K38 VanDerWaalsContact CE1-CD 3.5Å; H34-K38 WeakPolarHBondContact CE1-CD 3.42Å
35L97.8Very high97Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-62.5-43.1178-70.1173.9000112.4P10 L11 Y19 L21 Y31 F32 N37 K38 A39 V123 L125P10-L35 HydrophobicContact CB-CD2 3.79Å; P10-L35 VanDerWaalsContact O-CD2 3.29Å; P10-L35 WeakPolarHBondContact O-CD2 3.1Å; L11-L35 HydrophobicContact CD2-CD1 3.95Å; L11-L35 HydrophobicContact CD2-CD2 4.03Å; L11-L35 HydrophobicContact CD2-CG 4.16Å; Y19-L35 HydrophobicContact CE2-CD2 4.28Å; Y19-L35 WeakPolarHBondContact CE2-O 3.3Å; Y19-L35 VanDerWaalsContact OH-CA 3.26Å; Y19-L35 WeakPolarHBondContact OH-CA 3.39Å; Y19-L35 PolarHBondContact OH-O 3.07Å; L21-L35 HydrophobicContact CD1-CB 4.11Å; L21-L35 HydrophobicContact CD1-CD1 4.45Å; L21-L35 HydrophobicContact CD2-CB 4.27Å; Y31-L35 HydrophobicContact CD2-CD1 3.83Å; Y31-L35 HydrophobicContact CE2-CD1 4.34Å; Y31-L35 PolarHBondContact O-N 3.35Å; Y31-L35 VanDerWaalsContact O-N 3.12Å; F32-L35 PolarHBondContact O-N 3.23Å; L35-N37 VanDerWaalsContact C-N 3.33Å; L35-N37 PolarHBondContact O-N 3.11Å; L35-K38 PolarHBondContact O-N 3.3Å; L35-A39 PolarHBondContact O-N 3.22Å; L35-A39 VanDerWaalsContact O-N 3.13Å; L35-V123 HydrophobicContact CD1-CG1 4.22Å; L35-L125 HydrophobicContact CD1-CD1 4.25Å; L35-L125 HydrophobicContact CD1-CD2 3.72Å; L35-L125 HydrophobicContact CD1-CG 4.45Å
36W98.4Very high97Very high9 Ų937.5 Ų37.53%0.03419%0.187CC..Hα-helixtrans-57-47179.2-177.4-84.3000112.2L21 I23 F32 R33 H34 K38 A39 R42 L52 S62 F63 L64 P65L21-W36 HydrophobicContact CD2-CB 4.23Å; L21-W36 HydrophobicContact CD2-CE3 4.07Å; I23-W36 HydrophobicContact CD1-CE3 4.04Å; I23-W36 HydrophobicContact CD1-CZ3 3.8Å; F32-W36 VanDerWaalsContact O-CB 3.26Å; F32-W36 WeakPolarHBondContact O-CB 3.43Å; F32-W36 PolarHBondContact O-N 3.28Å; R33-W36 PolarHBondContact O-N 2.98Å; H34-W36 PolarHBondContact O-N 3.35Å; W36-K38 VanDerWaalsContact C-N 3.26Å; W36-K38 PolarHBondContact O-N 3.21Å; W36-A39 PolarHBondContact O-N 3.23Å; W36-R42 HydrophobicContact CD2-CB 4.41Å; W36-R42 HydrophobicContact CD2-CG 3.82Å; W36-R42 HydrophobicContact CE3-CB 3.97Å; W36-R42 HydrophobicContact CE3-CG 3.79Å; W36-R42 HydrophobicContact CG-CG 4.47Å; W36-R42 HydrophobicContact CH2-CB 3.62Å; W36-R42 HydrophobicContact CH2-CG 4.04Å; W36-R42 HydrophobicContact CZ2-CB 4.07Å; W36-R42 HydrophobicContact CZ2-CG 4.06Å; W36-R42 HydrophobicContact CZ3-CB 3.57Å; W36-R42 HydrophobicContact CZ3-CG 3.91Å; W36-R42 PolarHBondContact O-NE 3.33Å; W36-R42 PolarHBondContact O-NH2 3.29Å; W36-L52 HydrophobicContact CE3-CD1 4.19Å; W36-L52 HydrophobicContact CH2-CD1 4.45Å; W36-L52 HydrophobicContact CH2-CD2 3.57Å; W36-L52 HydrophobicContact CZ3-CD1 3.89Å; W36-L52 HydrophobicContact CZ3-CD2 3.55Å; W36-L52 HydrophobicContact CZ3-CG 4.39Å; W36-S62 PolarHBondContact NE1-O 3.48Å; W36-F63 HydrophobicContact CB-CD1 4.25Å; W36-F63 HydrophobicContact CB-CE1 4.1Å; W36-F63 AromaticContact CD1-CD1 3.48Å; W36-F63 VanDerWaalsContact CD1-CD1 3.48Å; W36-F63 AromaticContact CD1-CE1 3.68Å; W36-F63 AromaticContact CD2-CD1 3.7Å; W36-F63 HydrophobicContact CD2-CD1 3.7Å; W36-F63 HydrophobicContact CD2-CE1 4.41Å; W36-F63 AromaticContact CE2-CD1 3.8Å; W36-F63 HydrophobicContact CE3-CD1 4.41Å; W36-F63 AromaticContact CG-CD1 3.56Å; W36-F63 HydrophobicContact CG-CD1 3.56Å; W36-F63 AromaticContact CG-CE1 3.81Å; W36-F63 HydrophobicContact CG-CE1 3.81Å; W36-F63 VanDerWaalsContact CZ2-CA 3.49Å; W36-F63 HydrophobicContact CZ2-CB 4.17Å; W36-F63 AromaticContact NE1-CD1 3.62Å; W36-L64 WeakPolarHBondContact CZ2-O 3.14Å; W36-P65 HydrophobicContact CH2-CB 4.01Å
37N96.9Very high97Very high109 Ų10935.7 Ų35.758%0.58318%0.178SC*.Hα-helixtrans-65.4-27.6-174.1-72-22.4000113.4R33 H34 L35R33-N37 PolarHBondContact O-N 3.28Å; R33-N37 PolarHBondContact O-ND2 2.9Å; R33-N37 VanDerWaalsContact O-ND2 3.14Å; H34-N37 PolarHBondContact O-N 3.42Å; L35-N37 VanDerWaalsContact C-N 3.33Å; L35-N37 PolarHBondContact O-N 3.11Å
38K97Very high97.1Very high63 Ų6332.1 Ų32.127%0.27416%0.155SC..Hα-helixtrans-99.9-15.3-178.1-71174.767.2174.30114L12 S13 Y19 H34 L35 W36L12-K38 PolarHBondContact O-NZ 3.42Å; S13-K38 PolarHBondContact O-NZ 2.92Å; Y19-K38 HydrophobicContact CE1-CB 4.17Å; Y19-K38 WeakPolarHBondContact OH-CB 3.46Å; H34-K38 VanDerWaalsContact CE1-CD 3.5Å; H34-K38 WeakPolarHBondContact CE1-CD 3.42Å; L35-K38 PolarHBondContact O-N 3.3Å; W36-K38 VanDerWaalsContact C-N 3.26Å; W36-K38 PolarHBondContact O-N 3.21Å
39A98.3Very high97.1Very high6 Ų631.2 Ų31.25%0.0515%0.15CC..  trans-61.2149.5-179.900000112.9Y19 L21 L35 W36 R42Y19-A39 HydrophobicContact CD2-CB 4.04Å; Y19-A39 HydrophobicContact CE2-CB 3.73Å; Y19-A39 CarbonylContact O-C 3.54Å; Y19-A39 WeakPolarHBondContact O-CA 3.13Å; L21-A39 HydrophobicContact CB-CB 3.82Å; L35-A39 PolarHBondContact O-N 3.22Å; L35-A39 VanDerWaalsContact O-N 3.13Å; W36-A39 PolarHBondContact O-N 3.23Å; A39-R42 HydrophobicContact CB-CG 4.02Å; A39-R42 PolarHBondContact O-NH1 3.23Å; A39-R42 PolarHBondContact O-NH2 3.47Å
40L98.3Very high97.4Very high55 Ų5530.3 Ų30.329%0.28815%0.146SC..SBendtrans-79.7-37.5173.4-66.5-179.4000112.4K18 Y19 K118 V119K18-L40 HydrophobicContact CB-CD1 3.86Å; K18-L40 HydrophobicContact CD-CD1 4.49Å; K18-L40 HydrophobicContact CD-CD2 4.36Å; Y19-L40 PolarHBondContact O-N 2.9Å; L40-K118 VanDerWaalsContact CD1-O 3.25Å; L40-K118 WeakPolarHBondContact CD1-O 3.44Å; L40-V119 HydrophobicContact CD1-CG2 4.2Å
41L98.4Very high98Very high6 Ų627.7 Ų27.73%0.03113%0.125CC..  trans-143.4147.3176.4-67176000108.5C20 L21 E66 L108 K111 I112 K115 L117C20-L41 CarbonylContact C-O 3.6Å; C20-L41 WeakPolarHBondContact CA-O 3.44Å; C20-L41 HydrophobicContact CB-CB 4.47Å; L21-L41 PolarHBondContact N-O 2.98Å; L41-E66 HydrophobicContact CD2-CB 4.23Å; L41-E66 HydrophobicContact CD2-CG 3.76Å; L41-L108 HydrophobicContact CB-CD1 4.24Å; L41-L108 HydrophobicContact CD1-CD1 4.08Å; L41-K111 HydrophobicContact CD1-CB 4.3Å; L41-I112 HydrophobicContact CD1-CG1 4.33Å; L41-K115 HydrophobicContact CD1-CD 4.24Å; L41-K115 HydrophobicContact CD2-CD 4.04Å; L41-L117 HydrophobicContact CD1-CD1 3.54Å; L41-L117 HydrophobicContact CD2-CD1 4.31Å; L41-L117 HydrophobicContact CG-CD1 3.7Å
42R98.8Very high98.2Very high44 Ų4425.3 Ų25.317%0.16612%0.115CC..EExtended strand (participates in β ladder)trans-128.2129.8177.7-50.890.3176.3161.11.4109.2L21 W36 A39 E66L21-R42 HydrophobicContact CB-CG 4.24Å; L21-R42 HydrophobicContact CD2-CG 4.42Å; L21-R42 CarbonylContact O-C 3.51Å; L21-R42 VanDerWaalsContact O-CA 3.28Å; L21-R42 WeakPolarHBondContact O-CA 3.48Å; W36-R42 HydrophobicContact CD2-CB 4.41Å; W36-R42 HydrophobicContact CD2-CG 3.82Å; W36-R42 HydrophobicContact CE3-CB 3.97Å; W36-R42 HydrophobicContact CE3-CG 3.79Å; W36-R42 HydrophobicContact CG-CG 4.47Å; W36-R42 HydrophobicContact CH2-CB 3.62Å; W36-R42 HydrophobicContact CH2-CG 4.04Å; W36-R42 HydrophobicContact CZ2-CB 4.07Å; W36-R42 HydrophobicContact CZ2-CG 4.06Å; W36-R42 HydrophobicContact CZ3-CB 3.57Å; W36-R42 HydrophobicContact CZ3-CG 3.91Å; W36-R42 PolarHBondContact O-NE 3.33Å; W36-R42 PolarHBondContact O-NH2 3.29Å; A39-R42 HydrophobicContact CB-CG 4.02Å; A39-R42 PolarHBondContact O-NH1 3.23Å; A39-R42 PolarHBondContact O-NH2 3.47Å; R42-E66 VanDerWaalsContact CA-OE2 3.27Å; R42-E66 WeakPolarHBondContact CA-OE2 3.41Å; R42-E66 WeakPolarHBondContact CB-OE2 3.4Å; R42-E66 WeakPolarHBondContact CD-OE1 3.4Å; R42-E66 WeakPolarHBondContact CD-OE2 3.28Å; R42-E66 IonicContact CZ-OE1 3.45Å; R42-E66 PolarHBondContact N-OE2 3.39Å; R42-E66 IonicContact NH1-OE1 3.36Å; R42-E66 PolarHBondContact NH1-OE1 2.85Å; R42-E66 PolarHBondContact O-N 3.22Å
43A98.9Very high98.3Very high0 Ų027.2 Ų27.20%012%0.123CC..EExtended strand (participates in β ladder)trans-128.7147.5179.500000110.6L21 V22 I23 F67L21-A43 PolarHBondContact O-N 2.63Å; V22-A43 CarbonylContact C-O 3.51Å; V22-A43 WeakPolarHBondContact CA-O 3.33Å; I23-A43 PolarHBondContact N-O 2.7Å; A43-F67 WeakPolarHBondContact CA-O 3.33Å; A43-F67 HydrophobicContact CB-CD1 3.93Å; A43-F67 HydrophobicContact CB-CD2 4.27Å; A43-F67 HydrophobicContact CB-CE1 3.39Å; A43-F67 HydrophobicContact CB-CE2 3.75Å; A43-F67 HydrophobicContact CB-CG 4.36Å; A43-F67 HydrophobicContact CB-CZ 3.29Å
44C98.9Very high98.3Very high0 Ų027 Ų270%013%0.128CC..EExtended strand (participates in β ladder)trans-112.7133.5167.8-63.20000110I23 A49 F67 I68 N69I23-C44 WeakPolarHBondContact O-CA 3.29Å; C44-A49 HydrophobicContact CB-CB 3.97Å; C44-F67 PolarHBondContact N-O 3.23Å; C44-F67 VanDerWaalsContact N-O 3.16Å; C44-I68 HydrophobicContact CB-CG1 4.14Å; C44-I68 HydrophobicContact CB-CG2 4.15Å; C44-I68 WeakPolarHBondContact O-CA 3.43Å; C44-N69 PolarHBondContact O-N 2.75Å; C44-N69 VanDerWaalsContact O-N 3.09Å
45A98.8Very high98.4Very high5 Ų526.9 Ų26.94%0.04113%0.128CC..EExtended strand (participates in β ladder)trans-91.9105.717000000109.1I23 L24 G47 G48 D100 C104I23-A45 PolarHBondContact O-N 3.45Å; L24-A45 HydrophobicContact CD2-CB 3.61Å; A45-G47 PolarHBondContact O-N 2.9Å; A45-G47 VanDerWaalsContact O-N 3.08Å; A45-G48 PolarHBondContact O-N 2.92Å; A45-D100 HydrophobicContact CB-CB 4.24Å; A45-C104 HydrophobicContact CB-CB 4.12Å
46D98.6Very high98.5Very high2 Ų226.9 Ų26.91%0.01113%0.128CC..THydrogen-bonded Turntrans40.1-106.1-178.9-166.32.2000113.3G48 A49 N69 F72 D73 S74 I75 D100D46-G48 PolarHBondContact O-N 2.61Å; D46-A49 WeakPolarHBondContact O-CB 3.29Å; D46-A49 PolarHBondContact O-N 2.98Å; D46-N69 PolarHBondContact N-O 3.4Å; D46-F72 WeakPolarHBondContact OD1-CA 3.38Å; D46-F72 WeakPolarHBondContact OD2-CA 3.48Å; D46-F72 PolarHBondContact OD2-N 3.04Å; D46-D73 PolarHBondContact OD2-N 3.19Å; D46-S74 WeakPolarHBondContact OD2-CB 3.49Å; D46-S74 PolarHBondContact OD2-N 3.25Å; D46-I75 WeakPolarHBondContact OD1-CB 3.34Å; D46-I75 WeakPolarHBondContact OD1-CG2 3.41Å; D46-I75 PolarHBondContact OD1-N 2.91Å; D46-D100 HydrophobicContact CB-CB 4.42Å; D46-D100 VanDerWaalsContact CB-OD2 3.29Å; D46-D100 WeakPolarHBondContact CB-OD2 3.36Å
47G98.6Very high98.4Very high1 Ų133.3 Ų33.31%0.0116%0.159CC..THydrogen-bonded Turntrans-61.5-13-179.100000114.7N25 A45 A49 N50 R51N25-G47 PolarHBondContact OD1-O 2.94Å; A45-G47 PolarHBondContact O-N 2.9Å; A45-G47 VanDerWaalsContact O-N 3.08Å; G47-A49 PolarHBondContact O-N 3.04Å; G47-N50 VanDerWaalsContact O-CB 3.29Å; G47-N50 WeakPolarHBondContact O-CB 3.28Å; G47-N50 PolarHBondContact O-N 2.89Å; G47-R51 PolarHBondContact O-N 3.49Å
48G98.8Very high98.5Very high0 Ų032.1 Ų32.10%017%0.172CC..Hα-helixtrans-56.5-30.3167.600000112.8L24 A45 D46 N50 R51 L52L24-G48 WeakPolarHBondContact O-CA 3.42Å; A45-G48 PolarHBondContact O-N 2.92Å; D46-G48 PolarHBondContact O-N 2.61Å; G48-N50 VanDerWaalsContact C-N 3.32Å; G48-N50 PolarHBondContact O-N 2.86Å; G48-R51 WeakPolarHBondContact O-CB 3.43Å; G48-R51 PolarHBondContact O-N 3.18Å; G48-L52 PolarHBondContact O-N 3.43Å
49A98.9Very high98.5Very high0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-64.8-35.1174.500000112.3C44 D46 G47 R51 L52 Y53 I68 I75 V79 Y83C44-A49 HydrophobicContact CB-CB 3.97Å; D46-A49 WeakPolarHBondContact O-CB 3.29Å; D46-A49 PolarHBondContact O-N 2.98Å; G47-A49 PolarHBondContact O-N 3.04Å; A49-R51 VanDerWaalsContact C-N 3.3Å; A49-R51 PolarHBondContact O-N 3.45Å; A49-L52 PolarHBondContact O-N 3.04Å; A49-Y53 VanDerWaalsContact O-CB 3.26Å; A49-Y53 WeakPolarHBondContact O-CB 3.23Å; A49-Y53 PolarHBondContact O-N 3.28Å; A49-I68 HydrophobicContact CB-CD1 3.84Å; A49-I68 HydrophobicContact CB-CG1 4.42Å; A49-I68 HydrophobicContact CB-CG2 3.93Å; A49-I75 HydrophobicContact CB-CD1 3.55Å; A49-I75 HydrophobicContact CB-CG1 4.06Å; A49-V79 HydrophobicContact CB-CG1 4.16Å; A49-Y83 HydrophobicContact CB-CD2 4.29Å; A49-Y83 HydrophobicContact CB-CE2 4.05Å
50N98.9Very high98.5Very high11 Ų1134.4 Ų34.46%0.05918%0.18CC..Hα-helixtrans-62-43.2174.2-60.9-30.2000110.7G47 G48 Y53 D54 S74 I75 R76G47-N50 VanDerWaalsContact O-CB 3.29Å; G47-N50 WeakPolarHBondContact O-CB 3.28Å; G47-N50 PolarHBondContact O-N 2.89Å; G48-N50 VanDerWaalsContact C-N 3.32Å; G48-N50 PolarHBondContact O-N 2.86Å; N50-Y53 PolarHBondContact O-N 3.07Å; N50-D54 WeakPolarHBondContact O-CB 3.43Å; N50-D54 PolarHBondContact O-N 2.92Å; N50-S74 PolarHBondContact ND2-O 2.9Å; N50-I75 WeakPolarHBondContact OD1-CA 3.46Å; N50-R76 PolarHBondContact OD1-N 2.82Å
51R98.7Very high98.5Very high89 Ų8938 Ų3834%0.33620%0.196SC..Hα-helixtrans-63.5-44.9-177.8-51.6-62.9176.7-177.32.7110.9N25 Q26 L28 G47 G48 A49 I55N25-R51 PolarHBondContact OD1-NE 3.47Å; N25-R51 PolarHBondContact OD1-NH2 3.26Å; Q26-R51 WeakPolarHBondContact O-CB 3.16Å; Q26-R51 WeakPolarHBondContact O-CD 3.2Å; Q26-R51 WeakPolarHBondContact O-CG 3.42Å; L28-R51 HydrophobicContact CD1-CB 4.31Å; L28-R51 HydrophobicContact CG-CB 4.29Å; G47-R51 PolarHBondContact O-N 3.49Å; G48-R51 WeakPolarHBondContact O-CB 3.43Å; G48-R51 PolarHBondContact O-N 3.18Å; A49-R51 VanDerWaalsContact C-N 3.3Å; A49-R51 PolarHBondContact O-N 3.45Å; R51-I55 VanDerWaalsContact O-CG2 3.32Å; R51-I55 WeakPolarHBondContact O-CG2 3.38Å; R51-I55 PolarHBondContact O-N 3Å
52L98.8Very high98.5Very high0 Ų041.6 Ų41.60%022%0.222CC..Hα-helixtrans-62-47.1174.1-174.964.1000111.5I23 L28 F32 W36 G48 A49 D54 T56 F63 P65 Y83I23-L52 HydrophobicContact CD1-CB 4.49Å; I23-L52 HydrophobicContact CD1-CD1 3.94Å; I23-L52 HydrophobicContact CD1-CD2 4.39Å; L28-L52 HydrophobicContact CD1-CB 4.36Å; L28-L52 HydrophobicContact CD1-CD1 4.27Å; F32-L52 HydrophobicContact CD2-CD1 4.49Å; F32-L52 HydrophobicContact CE2-CD1 4.01Å; W36-L52 HydrophobicContact CE3-CD1 4.19Å; W36-L52 HydrophobicContact CH2-CD1 4.45Å; W36-L52 HydrophobicContact CH2-CD2 3.57Å; W36-L52 HydrophobicContact CZ3-CD1 3.89Å; W36-L52 HydrophobicContact CZ3-CD2 3.55Å; W36-L52 HydrophobicContact CZ3-CG 4.39Å; G48-L52 PolarHBondContact O-N 3.43Å; A49-L52 PolarHBondContact O-N 3.04Å; L52-D54 PolarHBondContact O-N 3.08Å; L52-T56 HydrophobicContact CD1-CG2 3.96Å; L52-T56 WeakPolarHBondContact O-CB 3.35Å; L52-T56 VanDerWaalsContact O-CG2 3.3Å; L52-T56 WeakPolarHBondContact O-CG2 2.87Å; L52-T56 PolarHBondContact O-N 3.08Å; L52-T56 PolarHBondContact O-OG1 3.21Å; L52-F63 HydrophobicContact CD1-CB 4.18Å; L52-P65 HydrophobicContact CD2-CG 4.32Å; L52-Y83 WeakPolarHBondContact CG-OH 3.43Å
53Y98.8Very high98.5Very high40 Ų4039.9 Ų39.916%0.15722%0.215CC..Hα-helixtrans-61.2-42.9-178.9-179.2-84.4000113A49 N50 R60 V79 Y82 Y83A49-Y53 VanDerWaalsContact O-CB 3.26Å; A49-Y53 WeakPolarHBondContact O-CB 3.23Å; A49-Y53 PolarHBondContact O-N 3.28Å; N50-Y53 PolarHBondContact O-N 3.07Å; Y53-R60 PolarHBondContact O-NE 2.79Å; Y53-V79 HydrophobicContact CD1-CG2 3.82Å; Y53-V79 HydrophobicContact CD2-CB 4.48Å; Y53-V79 HydrophobicContact CD2-CG1 4.19Å; Y53-V79 HydrophobicContact CD2-CG2 4.19Å; Y53-V79 HydrophobicContact CE1-CG2 4.31Å; Y53-V79 HydrophobicContact CG-CB 4.4Å; Y53-V79 HydrophobicContact CG-CG1 4.07Å; Y53-V79 HydrophobicContact CG-CG2 3.76Å; Y53-Y82 AromaticContact CD2-CD1 3.86Å; Y53-Y82 HydrophobicContact CD2-CD1 3.86Å; Y53-Y82 HydrophobicContact CD2-CE1 4.46Å; Y53-Y82 HydrophobicContact CD2-CG 4.14Å; Y53-Y82 AromaticContact CE2-CD1 3.84Å; Y53-Y82 HydrophobicContact CE2-CD1 3.84Å; Y53-Y82 HydrophobicContact CE2-CD2 4.12Å; Y53-Y82 HydrophobicContact CE2-CE1 4.5Å; Y53-Y82 AromaticContact CE2-CG 3.64Å; Y53-Y82 HydrophobicContact CE2-CG 3.64Å; Y53-Y83 WeakPolarHBondContact CA-OH 3.06Å; Y53-Y83 HydrophobicContact CD2-CE2 4.36Å; Y53-Y83 PolarHBondContact N-OH 3.08Å
54D98.4Very high98.5Very high72 Ų7242.4 Ų42.439%0.38523%0.229SC..Hα-helixtrans-70.1-43.9-176.2-67.8-20.6000111N50 L52 T56 R76N50-D54 WeakPolarHBondContact O-CB 3.43Å; N50-D54 PolarHBondContact O-N 2.92Å; L52-D54 PolarHBondContact O-N 3.08Å; D54-T56 PolarHBondContact O-N 3.25Å; D54-R76 IonicContact OD1-CZ 3.67Å; D54-R76 IonicContact OD1-NH1 3.46Å; D54-R76 PolarHBondContact OD1-NH1 3.47Å; D54-R76 IonicContact OD1-NH2 2.65Å; D54-R76 PolarHBondContact OD1-NH2 3.26Å; D54-R76 IonicContact OD2-CZ 2.75Å; D54-R76 IonicContact OD2-NH1 2.82Å; D54-R76 PolarHBondContact OD2-NH1 2.95Å; D54-R76 IonicContact OD2-NH2 2.59Å
55I98.1Very high98.5Very high52 Ų5242.5 Ų42.527%0.26723%0.229SC..Hα-helixtrans-78.5-16.6-176-158.8166.4000114.2L28 F32 R33 R51L28-I55 HydrophobicContact CB-CD1 3.91Å; L28-I55 HydrophobicContact CB-CG2 4.38Å; L28-I55 HydrophobicContact CD1-CG2 3.76Å; L28-I55 WeakPolarHBondContact O-CD1 3.35Å; F32-I55 HydrophobicContact CD1-CD1 4.12Å; F32-I55 HydrophobicContact CE1-CB 4.45Å; F32-I55 HydrophobicContact CE1-CD1 3.67Å; F32-I55 HydrophobicContact CE1-CG1 3.95Å; F32-I55 HydrophobicContact CE1-CG2 3.64Å; F32-I55 HydrophobicContact CE2-CG2 4.26Å; F32-I55 HydrophobicContact CZ-CG2 3.52Å; R33-I55 PolarHBondContact NH2-O 2.87Å; R51-I55 VanDerWaalsContact O-CG2 3.32Å; R51-I55 WeakPolarHBondContact O-CG2 3.38Å; R51-I55 PolarHBondContact O-N 3Å
56T98.4Very high98.5Very high0 Ų045 Ų450%024%0.24CC..THydrogen-bonded Turntrans-102.518.7-176.758.50000113.3F32 L52 D54 G58 E59 R60 F63F32-T56 HydrophobicContact CE2-CG2 4.02Å; F32-T56 HydrophobicContact CZ-CG2 3.8Å; L52-T56 HydrophobicContact CD1-CG2 3.96Å; L52-T56 WeakPolarHBondContact O-CB 3.35Å; L52-T56 VanDerWaalsContact O-CG2 3.3Å; L52-T56 WeakPolarHBondContact O-CG2 2.87Å; L52-T56 PolarHBondContact O-N 3.08Å; L52-T56 PolarHBondContact O-OG1 3.21Å; D54-T56 PolarHBondContact O-N 3.25Å; T56-G58 PolarHBondContact O-N 3.22Å; T56-E59 CarbonylContact O-C 3.42Å; T56-E59 PolarHBondContact O-N 2.74Å; T56-R60 WeakPolarHBondContact O-CG 3.45Å; T56-R60 PolarHBondContact O-N 3.35Å; T56-F63 HydrophobicContact CG2-CB 3.73Å; T56-F63 HydrophobicContact CG2-CD1 4.14Å; T56-F63 HydrophobicContact CG2-CD2 3.68Å; T56-F63 HydrophobicContact CG2-CE2 4.36Å; T56-F63 HydrophobicContact CG2-CG 3.57Å
57E97.7Very high98.5Very high145 Ų14544.9 Ų44.968%0.67824%0.24SC*.THydrogen-bonded Turntrans-51.1132.9174.2-177.2157.1-11800112.1E59 R60E57-E59 VanDerWaalsContact C-N 3.28Å; E57-E59 PolarHBondContact O-N 3.12Å; E57-R60 IonicContact OE1-NH1 2.72Å; E57-R60 IonicContact OE1-NH2 3.17Å; E57-R60 PolarHBondContact OE1-NH2 3.36Å
58G98Very high98.5Very high83 Ų8344.9 Ų44.986%0.85624%0.239SC*.THydrogen-bonded Turntrans86-17.7-175.500000115.1T56T56-G58 PolarHBondContact O-N 3.22Å
59E97.8Very high98.5Very high72 Ų7244.9 Ų44.934%0.33624%0.239SC..THydrogen-bonded Turntrans-136.214-17862.2179.1174.500114R33 T56 E57 E61 S62 F63R33-E59 IonicContact CZ-OE1 2.86Å; R33-E59 IonicContact NE-OE1 2.79Å; R33-E59 PolarHBondContact NE-OE1 2.86Å; R33-E59 IonicContact NH2-OE1 3.21Å; R33-E59 PolarHBondContact NH2-OE1 2.83Å; T56-E59 CarbonylContact O-C 3.42Å; T56-E59 PolarHBondContact O-N 2.74Å; E57-E59 VanDerWaalsContact C-N 3.28Å; E57-E59 PolarHBondContact O-N 3.12Å; E59-E61 PolarHBondContact O-N 3.46Å; E59-S62 WeakPolarHBondContact O-CB 3.5Å; E59-S62 PolarHBondContact O-N 3.09Å; E59-F63 HydrophobicContact CB-CE2 4.34Å; E59-F63 VanDerWaalsContact CD-CE2 3.44Å; E59-F63 HydrophobicContact CG-CD2 4Å; E59-F63 HydrophobicContact CG-CE2 3.72Å; E59-F63 WeakPolarHBondContact O-CD2 3.44Å
60R98.3Very high98.5Very high45 Ų4544.9 Ų44.917%0.1724%0.239CC..G310 helixtrans-50.9-31.3-173.1-61.1-171.4179.498.91.8114.9Y53 T56 E57 S62 F63 Y82Y53-R60 PolarHBondContact O-NE 2.79Å; T56-R60 WeakPolarHBondContact O-CG 3.45Å; T56-R60 PolarHBondContact O-N 3.35Å; E57-R60 IonicContact OE1-NH1 2.72Å; E57-R60 IonicContact OE1-NH2 3.17Å; E57-R60 PolarHBondContact OE1-NH2 3.36Å; R60-S62 PolarHBondContact O-N 2.8Å; R60-F63 CarbonylContact O-C 3.42Å; R60-F63 PolarHBondContact O-N 3.45Å; R60-F63 VanDerWaalsContact O-N 3.08Å; R60-Y82 HydrophobicContact CB-CE1 4.03Å; R60-Y82 WeakPolarHBondContact CB-OH 3.5Å
61E98.1Very high98.4Very high130 Ų13046.3 Ų46.361%0.60725%0.247SC*.G310 helixtrans-69.4-20.5178.8-66.2-168.9-166.500113.6E59 F63 K86E59-E61 PolarHBondContact O-N 3.46Å; E61-F63 VanDerWaalsContact C-N 3.26Å; E61-K86 VanDerWaalsContact CD-NZ 3.26Å; E61-K86 IonicContact OE1-NZ 3.89Å; E61-K86 PolarHBondContact OE1-NZ 2.85Å; E61-K86 IonicContact OE2-NZ 3.86Å
62S98.3Very high98.4Very high83 Ų8343.4 Ų43.458%0.5824%0.237SC*.G310 helixtrans-80.7-9.6171.3-57.60000112.8W36 E59 R60W36-S62 PolarHBondContact NE1-O 3.48Å; E59-S62 WeakPolarHBondContact O-CB 3.5Å; E59-S62 PolarHBondContact O-N 3.09Å; R60-S62 PolarHBondContact O-N 2.8Å
63F98.6Very high98.3Very high7 Ų749.3 Ų49.33%0.03127%0.268CS..  trans-127.253.5-174.2-62.2-87.1000111.5F32 R33 W36 L52 T56 E59 R60 E61F32-F63 HydrophobicContact CE2-CD1 4Å; F32-F63 AromaticContact CE2-CE1 3.99Å; F32-F63 HydrophobicContact CE2-CE1 3.99Å; R33-F63 HydrophobicContact CB-CE1 4.41Å; R33-F63 HydrophobicContact CB-CZ 4.43Å; R33-F63 HydrophobicContact CG-CE1 4.06Å; R33-F63 HydrophobicContact CG-CZ 3.93Å; W36-F63 HydrophobicContact CB-CD1 4.25Å; W36-F63 HydrophobicContact CB-CE1 4.1Å; W36-F63 AromaticContact CD1-CD1 3.48Å; W36-F63 VanDerWaalsContact CD1-CD1 3.48Å; W36-F63 AromaticContact CD1-CE1 3.68Å; W36-F63 AromaticContact CD2-CD1 3.7Å; W36-F63 HydrophobicContact CD2-CD1 3.7Å; W36-F63 HydrophobicContact CD2-CE1 4.41Å; W36-F63 AromaticContact CE2-CD1 3.8Å; W36-F63 HydrophobicContact CE3-CD1 4.41Å; W36-F63 AromaticContact CG-CD1 3.56Å; W36-F63 HydrophobicContact CG-CD1 3.56Å; W36-F63 AromaticContact CG-CE1 3.81Å; W36-F63 HydrophobicContact CG-CE1 3.81Å; W36-F63 VanDerWaalsContact CZ2-CA 3.49Å; W36-F63 HydrophobicContact CZ2-CB 4.17Å; W36-F63 AromaticContact NE1-CD1 3.62Å; L52-F63 HydrophobicContact CD1-CB 4.18Å; T56-F63 HydrophobicContact CG2-CB 3.73Å; T56-F63 HydrophobicContact CG2-CD1 4.14Å; T56-F63 HydrophobicContact CG2-CD2 3.68Å; T56-F63 HydrophobicContact CG2-CE2 4.36Å; T56-F63 HydrophobicContact CG2-CG 3.57Å; E59-F63 HydrophobicContact CB-CE2 4.34Å; E59-F63 VanDerWaalsContact CD-CE2 3.44Å; E59-F63 HydrophobicContact CG-CD2 4Å; E59-F63 HydrophobicContact CG-CE2 3.72Å; E59-F63 WeakPolarHBondContact O-CD2 3.44Å; R60-F63 CarbonylContact O-C 3.42Å; R60-F63 PolarHBondContact O-N 3.45Å; R60-F63 VanDerWaalsContact O-N 3.08Å; E61-F63 VanDerWaalsContact C-N 3.26Å
64L98.8Very high98.3Very high53 Ų5349.6 Ų49.628%0.27728%0.276SS..  trans-91.8114.2175.1-61.5179.1000110.1W36 Y82 Y83 K86W36-L64 WeakPolarHBondContact CZ2-O 3.14Å; L64-Y82 HydrophobicContact CD2-CE1 4.05Å; L64-Y83 HydrophobicContact CD2-CD1 4.11Å; L64-Y83 HydrophobicContact CD2-CE1 4.19Å; L64-K86 HydrophobicContact CD1-CB 4.03Å; L64-K86 HydrophobicContact CD2-CB 3.71Å; L64-K86 HydrophobicContact CD2-CG 3.99Å
65P98.8Very high98.3Very high2 Ų246.8 Ų46.81%0.01326%0.261CS..  trans-68147.6177.528.6-34.4000110.6W36 L52 F67 I68 Y83 C88W36-P65 HydrophobicContact CH2-CB 4.01Å; L52-P65 HydrophobicContact CD2-CG 4.32Å; P65-F67 VanDerWaalsContact C-N 3.26Å; P65-F67 PolarHBondContact O-N 3.09Å; P65-I68 HydrophobicContact CB-CG1 4.37Å; P65-I68 HydrophobicContact CG-CD1 3.83Å; P65-I68 HydrophobicContact CG-CG1 3.62Å; P65-Y83 VanDerWaalsContact CD-CE1 3.5Å; P65-Y83 HydrophobicContact CG-CD1 4.23Å; P65-Y83 HydrophobicContact CG-CE1 4.24Å; P65-C88 PolarHBondContact O-SG 2.65Å
66E98.6Very high98.3Very high58 Ų5848 Ų4827%0.27126%0.262SS..SBendtrans-64.9-35.4175-73.881.3172.100111L41 R42 E89L41-E66 HydrophobicContact CD2-CB 4.23Å; L41-E66 HydrophobicContact CD2-CG 3.76Å; R42-E66 VanDerWaalsContact CA-OE2 3.27Å; R42-E66 WeakPolarHBondContact CA-OE2 3.41Å; R42-E66 WeakPolarHBondContact CB-OE2 3.4Å; R42-E66 WeakPolarHBondContact CD-OE1 3.4Å; R42-E66 WeakPolarHBondContact CD-OE2 3.28Å; R42-E66 IonicContact CZ-OE1 3.45Å; R42-E66 PolarHBondContact N-OE2 3.39Å; R42-E66 IonicContact NH1-OE1 3.36Å; R42-E66 PolarHBondContact NH1-OE1 2.85Å; R42-E66 PolarHBondContact O-N 3.22Å; E66-E89 PolarHBondContact O-N 3.26Å
67F98.9Very high98.4Very high0 Ų053.1 Ų53.10%030%0.295CS..EExtended strand (participates in β ladder)trans-150.8158.8168.674.4-85.3000113.2A43 C44 P65 N69 E89 I91 M107 L108 K111A43-F67 WeakPolarHBondContact CA-O 3.33Å; A43-F67 HydrophobicContact CB-CD1 3.93Å; A43-F67 HydrophobicContact CB-CD2 4.27Å; A43-F67 HydrophobicContact CB-CE1 3.39Å; A43-F67 HydrophobicContact CB-CE2 3.75Å; A43-F67 HydrophobicContact CB-CG 4.36Å; A43-F67 HydrophobicContact CB-CZ 3.29Å; C44-F67 PolarHBondContact N-O 3.23Å; C44-F67 VanDerWaalsContact N-O 3.16Å; P65-F67 VanDerWaalsContact C-N 3.26Å; P65-F67 PolarHBondContact O-N 3.09Å; F67-N69 HydrophobicContact CD2-CB 4.14Å; F67-N69 HydrophobicContact CE2-CB 4.09Å; F67-E89 CarbonylContact C-O 3.4Å; F67-E89 WeakPolarHBondContact CA-O 3.26Å; F67-E89 HydrophobicContact CB-CB 4.01Å; F67-E89 WeakPolarHBondContact CB-O 3.42Å; F67-I91 HydrophobicContact CB-CD1 4.02Å; F67-I91 HydrophobicContact CD2-CD1 3.87Å; F67-I91 HydrophobicContact CG-CD1 4.09Å; F67-M107 HydrophobicContact CE2-CB 3.77Å; F67-M107 HydrophobicContact CZ-CB 3.97Å; F67-L108 HydrophobicContact CE1-CB 4.39Å; F67-L108 HydrophobicContact CE1-CD1 4.12Å; F67-L108 HydrophobicContact CZ-CB 4.07Å; F67-K111 HydrophobicContact CD1-CD 3.41Å; F67-K111 VanDerWaalsContact CD1-CD 3.41Å; F67-K111 VanDerWaalsContact CD1-CE 3.44Å; F67-K111 HydrophobicContact CE1-CD 3.7Å; F67-K111 HydrophobicContact CG-CD 4.12Å
68I98.9Very high98.4Very high0 Ų050.5 Ų50.50%028%0.283CS..EExtended strand (participates in β ladder)trans-125.5120.2170.1-53173.3000106.4C44 A49 P65 F72 I75 Y83 E89 L90 I91C44-I68 HydrophobicContact CB-CG1 4.14Å; C44-I68 HydrophobicContact CB-CG2 4.15Å; C44-I68 WeakPolarHBondContact O-CA 3.43Å; A49-I68 HydrophobicContact CB-CD1 3.84Å; A49-I68 HydrophobicContact CB-CG1 4.42Å; A49-I68 HydrophobicContact CB-CG2 3.93Å; P65-I68 HydrophobicContact CB-CG1 4.37Å; P65-I68 HydrophobicContact CG-CD1 3.83Å; P65-I68 HydrophobicContact CG-CG1 3.62Å; I68-F72 HydrophobicContact CG2-CE1 4.41Å; I68-I75 HydrophobicContact CG2-CD1 4.2Å; I68-Y83 HydrophobicContact CD1-CD1 4.33Å; I68-Y83 HydrophobicContact CD1-CD2 3.41Å; I68-Y83 VanDerWaalsContact CD1-CD2 3.41Å; I68-Y83 HydrophobicContact CD1-CE2 4.15Å; I68-Y83 HydrophobicContact CD1-CG 3.52Å; I68-E89 PolarHBondContact N-O 2.96Å; I68-L90 HydrophobicContact CB-CD2 3.7Å; I68-L90 HydrophobicContact CD1-CD2 3.86Å; I68-L90 HydrophobicContact CG1-CD2 4.13Å; I68-L90 HydrophobicContact CG2-CD2 4.41Å; I68-L90 WeakPolarHBondContact O-CA 3.41Å; I68-I91 PolarHBondContact O-N 2.72Å
69N98.8Very high98.4Very high0 Ų046.6 Ų46.60%024%0.243CC..EExtended strand (participates in β ladder)trans-113.7155.817487.2-75.3000111.2C44 D46 F67 I91 T93 C104 M107C44-N69 PolarHBondContact O-N 2.75Å; C44-N69 VanDerWaalsContact O-N 3.09Å; D46-N69 PolarHBondContact N-O 3.4Å; F67-N69 HydrophobicContact CD2-CB 4.14Å; F67-N69 HydrophobicContact CE2-CB 4.09Å; N69-I91 WeakPolarHBondContact CA-O 3.46Å; N69-I91 HydrophobicContact CB-CB 4.07Å; N69-I91 WeakPolarHBondContact CB-O 3.39Å; N69-T93 HydrophobicContact CB-CG2 4.19Å; N69-T93 PolarHBondContact ND2-OG1 3.11Å; N69-T93 VanDerWaalsContact ND2-OG1 3.09Å; N69-C104 PolarHBondContact ND2-N 2.88Å; N69-C104 WeakPolarHBondContact OD1-CA 3.45Å; N69-C104 WeakPolarHBondContact OD1-CB 3.49Å; N69-C104 PolarHBondContact OD1-SG 3.15Å; N69-M107 HydrophobicContact CB-CG 4.33Å
70G98.4Very high98.5Very high0 Ų048.2 Ų48.20%025%0.246CC..EExtended strand (participates in β ladder)trans167.4176173.600000111.8I91 S92 T93 D100G70-I91 PolarHBondContact N-O 3.28Å; G70-S92 WeakPolarHBondContact O-CA 3.3Å; G70-T93 WeakPolarHBondContact CA-OG1 3.48Å; G70-T93 PolarHBondContact N-OG1 2.88Å; G70-T93 PolarHBondContact O-N 2.97Å; G70-T93 PolarHBondContact O-OG1 2.9Å; G70-D100 VanDerWaalsContact CA-OD1 3.28Å; G70-D100 WeakPolarHBondContact CA-OD1 3.46Å
71D98Very high98.5Very high42 Ų4251.8 Ų51.823%0.22526%0.264CS..  trans-77.2-11.4160.159.623.3000112.6D73 Q96 D100D71-D73 VanDerWaalsContact C-N 3.34Å; D71-D73 WeakPolarHBondContact OD1-CB 3.44Å; D71-D73 PolarHBondContact OD1-N 2.96Å; D71-D73 VanDerWaalsContact OD1-N 3.11Å; D71-Q96 PolarHBondContact OD2-NE2 3.49Å; D71-D100 PolarHBondContact N-OD1 3.39Å
72F98.1Very high98.5Very high27 Ų2747.8 Ų47.812%0.11824%0.244CC..SBendtrans67.831.9176.9-50.2-48.7000113D46 I68 S74 I75 L90D46-F72 WeakPolarHBondContact OD1-CA 3.38Å; D46-F72 WeakPolarHBondContact OD2-CA 3.48Å; D46-F72 PolarHBondContact OD2-N 3.04Å; I68-F72 HydrophobicContact CG2-CE1 4.41Å; F72-S74 VanDerWaalsContact C-N 3.33Å; F72-I75 HydrophobicContact CB-CG2 3.78Å; F72-I75 HydrophobicContact CD1-CG2 3.8Å; F72-I75 HydrophobicContact CG-CG2 4.16Å; F72-L90 HydrophobicContact CZ-CB 4.22Å
73D97.5Very high98.6Very high124 Ų12443.8 Ų43.866%0.66322%0.216SC*.SBendtrans-80.4-18.7171.484.5-3.1000112.7D46 D71D46-D73 PolarHBondContact OD2-N 3.19Å; D71-D73 VanDerWaalsContact C-N 3.34Å; D71-D73 WeakPolarHBondContact OD1-CB 3.44Å; D71-D73 PolarHBondContact OD1-N 2.96Å; D71-D73 VanDerWaalsContact OD1-N 3.11Å
74S97.9Very high98.6Very high46 Ų4645.6 Ų45.632%0.32223%0.233SC..SBendtrans-110-37-173.4-67.90000113.5D46 N50 F72 R76D46-S74 WeakPolarHBondContact OD2-CB 3.49Å; D46-S74 PolarHBondContact OD2-N 3.25Å; N50-S74 PolarHBondContact ND2-O 2.9Å; F72-S74 VanDerWaalsContact C-N 3.33Å; S74-R76 PolarHBondContact O-N 3.16Å
75I98.7Very high98.6Very high13 Ų1348 Ų487%0.06725%0.249CC..SBendtrans-62.8131.2178.4-167.2173.1000111.1D46 A49 N50 I68 F72 V79 R80D46-I75 WeakPolarHBondContact OD1-CB 3.34Å; D46-I75 WeakPolarHBondContact OD1-CG2 3.41Å; D46-I75 PolarHBondContact OD1-N 2.91Å; A49-I75 HydrophobicContact CB-CD1 3.55Å; A49-I75 HydrophobicContact CB-CG1 4.06Å; N50-I75 WeakPolarHBondContact OD1-CA 3.46Å; I68-I75 HydrophobicContact CG2-CD1 4.2Å; F72-I75 HydrophobicContact CB-CG2 3.78Å; F72-I75 HydrophobicContact CD1-CG2 3.8Å; F72-I75 HydrophobicContact CG-CG2 4.16Å; I75-V79 HydrophobicContact CD1-CG1 4.13Å; I75-V79 HydrophobicContact CG1-CB 4.09Å; I75-V79 HydrophobicContact CG1-CG1 3.93Å; I75-R80 HydrophobicContact CD1-CB 3.88Å; I75-R80 HydrophobicContact CD1-CG 4.42Å; I75-R80 HydrophobicContact CG1-CB 4.16Å; I75-R80 HydrophobicContact CG2-CB 4.29Å
76R98.8Very high98.5Very high78 Ų7851.7 Ų51.729%0.29427%0.265SS..  trans-73.2147.6179.6-58-171.4-52.7-98.9-2.5110.6N50 D54 S74 E78 V79 R80N50-R76 PolarHBondContact OD1-N 2.82Å; D54-R76 IonicContact OD1-CZ 3.67Å; D54-R76 IonicContact OD1-NH1 3.46Å; D54-R76 PolarHBondContact OD1-NH1 3.47Å; D54-R76 IonicContact OD1-NH2 2.65Å; D54-R76 PolarHBondContact OD1-NH2 3.26Å; D54-R76 IonicContact OD2-CZ 2.75Å; D54-R76 IonicContact OD2-NH1 2.82Å; D54-R76 PolarHBondContact OD2-NH1 2.95Å; D54-R76 IonicContact OD2-NH2 2.59Å; S74-R76 PolarHBondContact O-N 3.16Å; R76-E78 VanDerWaalsContact C-N 3.33Å; R76-E78 WeakPolarHBondContact CB-OE1 3.49Å; R76-E78 WeakPolarHBondContact CB-OE2 3.34Å; R76-E78 WeakPolarHBondContact CD-OE1 3.12Å; R76-E78 IonicContact CZ-OE1 2.79Å; R76-E78 IonicContact NE-OE1 3.12Å; R76-E78 PolarHBondContact NE-OE1 3.46Å; R76-E78 IonicContact NH2-OE1 3.83Å; R76-E78 PolarHBondContact NH2-OE1 3.05Å; R76-E78 PolarHBondContact O-N 3.4Å; R76-V79 HydrophobicContact CB-CB 4.42Å; R76-V79 HydrophobicContact CB-CG2 4.04Å; R76-V79 VanDerWaalsContact NH2-CG2 3.33Å; R76-V79 WeakPolarHBondContact O-CB 3.36Å; R76-V79 PolarHBondContact O-N 3.38Å; R76-V79 VanDerWaalsContact O-N 3.09Å; R76-R80 PolarHBondContact O-N 2.98Å
77P98.5Very high98.5Very high107 Ų10752 Ų5270%0.69528%0.284SS*.Hα-helixtrans-54.8-43.4-176-27.635.7000114.1V79 R80 E81P77-V79 VanDerWaalsContact C-N 3.35Å; P77-V79 PolarHBondContact O-N 3.13Å; P77-R80 PolarHBondContact O-N 3.44Å; P77-E81 WeakPolarHBondContact O-CB 3.13Å; P77-E81 PolarHBondContact O-N 2.92Å
78E98.6Very high98.5Very high91 Ų9152.6 Ų52.643%0.42529%0.288SS..Hα-helixtrans-70.3-30.6-179.975.1-71.3173.100113.1R76 Y82R76-E78 VanDerWaalsContact C-N 3.33Å; R76-E78 WeakPolarHBondContact CB-OE1 3.49Å; R76-E78 WeakPolarHBondContact CB-OE2 3.34Å; R76-E78 WeakPolarHBondContact CD-OE1 3.12Å; R76-E78 IonicContact CZ-OE1 2.79Å; R76-E78 IonicContact NE-OE1 3.12Å; R76-E78 PolarHBondContact NE-OE1 3.46Å; R76-E78 IonicContact NH2-OE1 3.83Å; R76-E78 PolarHBondContact NH2-OE1 3.05Å; R76-E78 PolarHBondContact O-N 3.4Å; E78-Y82 VanDerWaalsContact O-CB 3.3Å; E78-Y82 WeakPolarHBondContact O-CB 2.99Å; E78-Y82 PolarHBondContact O-N 3.2Å
79V98.9Very high98.5Very high0 Ų057.1 Ų57.10%031%0.309CS..Hα-helixtrans-70.9-45.9175.7177.50000109.8A49 Y53 I75 R76 P77 E81 Y82 Y83A49-V79 HydrophobicContact CB-CG1 4.16Å; Y53-V79 HydrophobicContact CD1-CG2 3.82Å; Y53-V79 HydrophobicContact CD2-CB 4.48Å; Y53-V79 HydrophobicContact CD2-CG1 4.19Å; Y53-V79 HydrophobicContact CD2-CG2 4.19Å; Y53-V79 HydrophobicContact CE1-CG2 4.31Å; Y53-V79 HydrophobicContact CG-CB 4.4Å; Y53-V79 HydrophobicContact CG-CG1 4.07Å; Y53-V79 HydrophobicContact CG-CG2 3.76Å; I75-V79 HydrophobicContact CD1-CG1 4.13Å; I75-V79 HydrophobicContact CG1-CB 4.09Å; I75-V79 HydrophobicContact CG1-CG1 3.93Å; R76-V79 HydrophobicContact CB-CB 4.42Å; R76-V79 HydrophobicContact CB-CG2 4.04Å; R76-V79 VanDerWaalsContact NH2-CG2 3.33Å; R76-V79 WeakPolarHBondContact O-CB 3.36Å; R76-V79 PolarHBondContact O-N 3.38Å; R76-V79 VanDerWaalsContact O-N 3.09Å; P77-V79 VanDerWaalsContact C-N 3.35Å; P77-V79 PolarHBondContact O-N 3.13Å; V79-E81 VanDerWaalsContact C-N 3.35Å; V79-E81 PolarHBondContact O-N 3.07Å; V79-Y82 PolarHBondContact O-N 2.91Å; V79-Y83 HydrophobicContact CG1-CD2 3.77Å; V79-Y83 HydrophobicContact CG1-CE2 3.59Å; V79-Y83 VanDerWaalsContact O-CD2 3.24Å; V79-Y83 WeakPolarHBondContact O-CD2 3.48Å; V79-Y83 PolarHBondContact O-N 3.4Å; V79-Y83 VanDerWaalsContact O-N 3.13Å
80R98.7Very high98.5Very high106 Ų10659.5 Ų59.540%0.432%0.322SS..Hα-helixtrans-58.2-47.8174.9-174.5179.3174.6169.3-0.6111.3I75 R76 P77 Y83 A84 L90I75-R80 HydrophobicContact CD1-CB 3.88Å; I75-R80 HydrophobicContact CD1-CG 4.42Å; I75-R80 HydrophobicContact CG1-CB 4.16Å; I75-R80 HydrophobicContact CG2-CB 4.29Å; R76-R80 PolarHBondContact O-N 2.98Å; P77-R80 PolarHBondContact O-N 3.44Å; R80-Y83 PolarHBondContact O-N 2.74Å; R80-A84 WeakPolarHBondContact O-CB 3.46Å; R80-A84 PolarHBondContact O-N 3.32Å; R80-L90 HydrophobicContact CG-CD1 3.49Å; R80-L90 VanDerWaalsContact CG-CD1 3.49Å
81E98.6Very high98.5Very high121 Ų12160.9 Ų60.957%0.56533%0.329SS*.Hα-helixtrans-62.9-42.6179.2-176.260.8-160.900112.1P77 V79 A84 T85P77-E81 WeakPolarHBondContact O-CB 3.13Å; P77-E81 PolarHBondContact O-N 2.92Å; V79-E81 VanDerWaalsContact C-N 3.35Å; V79-E81 PolarHBondContact O-N 3.07Å; E81-A84 PolarHBondContact O-N 3.32Å; E81-T85 WeakPolarHBondContact O-CB 3.34Å; E81-T85 PolarHBondContact O-N 3.19Å; E81-T85 PolarHBondContact O-OG1 2.59Å
82Y98.9Very high98.6Very high45 Ų4562.4 Ų62.418%0.17634%0.343CS..Hα-helixtrans-57.6-53.7177.4173.6-94.1000111.4Y53 R60 L64 E78 V79 A84 T85 K86Y53-Y82 AromaticContact CD2-CD1 3.86Å; Y53-Y82 HydrophobicContact CD2-CD1 3.86Å; Y53-Y82 HydrophobicContact CD2-CE1 4.46Å; Y53-Y82 HydrophobicContact CD2-CG 4.14Å; Y53-Y82 AromaticContact CE2-CD1 3.84Å; Y53-Y82 HydrophobicContact CE2-CD1 3.84Å; Y53-Y82 HydrophobicContact CE2-CD2 4.12Å; Y53-Y82 HydrophobicContact CE2-CE1 4.5Å; Y53-Y82 AromaticContact CE2-CG 3.64Å; Y53-Y82 HydrophobicContact CE2-CG 3.64Å; R60-Y82 HydrophobicContact CB-CE1 4.03Å; R60-Y82 WeakPolarHBondContact CB-OH 3.5Å; L64-Y82 HydrophobicContact CD2-CE1 4.05Å; E78-Y82 VanDerWaalsContact O-CB 3.3Å; E78-Y82 WeakPolarHBondContact O-CB 2.99Å; E78-Y82 PolarHBondContact O-N 3.2Å; V79-Y82 PolarHBondContact O-N 2.91Å; Y82-A84 PolarHBondContact O-N 3.49Å; Y82-T85 PolarHBondContact O-N 3.23Å; Y82-K86 HydrophobicContact CD1-CG 4.46Å; Y82-K86 HydrophobicContact CD2-CG 4.48Å; Y82-K86 HydrophobicContact CE1-CG 4.02Å; Y82-K86 HydrophobicContact CE2-CG 4.06Å; Y82-K86 WeakPolarHBondContact O-CG 3.33Å; Y82-K86 PolarHBondContact O-N 3.11Å
83Y98.9Very high98.5Very high0 Ų061.8 Ų61.80%034%0.341CS..Hα-helixtrans-67.4-36.9-178-72.8-58.7000112.2A49 L52 Y53 L64 P65 I68 V79 R80 K86 G87 C88A49-Y83 HydrophobicContact CB-CD2 4.29Å; A49-Y83 HydrophobicContact CB-CE2 4.05Å; L52-Y83 WeakPolarHBondContact CG-OH 3.43Å; Y53-Y83 WeakPolarHBondContact CA-OH 3.06Å; Y53-Y83 HydrophobicContact CD2-CE2 4.36Å; Y53-Y83 PolarHBondContact N-OH 3.08Å; L64-Y83 HydrophobicContact CD2-CD1 4.11Å; L64-Y83 HydrophobicContact CD2-CE1 4.19Å; P65-Y83 VanDerWaalsContact CD-CE1 3.5Å; P65-Y83 HydrophobicContact CG-CD1 4.23Å; P65-Y83 HydrophobicContact CG-CE1 4.24Å; I68-Y83 HydrophobicContact CD1-CD1 4.33Å; I68-Y83 HydrophobicContact CD1-CD2 3.41Å; I68-Y83 VanDerWaalsContact CD1-CD2 3.41Å; I68-Y83 HydrophobicContact CD1-CE2 4.15Å; I68-Y83 HydrophobicContact CD1-CG 3.52Å; V79-Y83 HydrophobicContact CG1-CD2 3.77Å; V79-Y83 HydrophobicContact CG1-CE2 3.59Å; V79-Y83 VanDerWaalsContact O-CD2 3.24Å; V79-Y83 WeakPolarHBondContact O-CD2 3.48Å; V79-Y83 PolarHBondContact O-N 3.4Å; V79-Y83 VanDerWaalsContact O-N 3.13Å; R80-Y83 PolarHBondContact O-N 2.74Å; Y83-K86 PolarHBondContact O-N 3.42Å; Y83-G87 PolarHBondContact O-N 2.92Å; Y83-C88 VanDerWaalsContact O-CB 3.29Å; Y83-C88 WeakPolarHBondContact O-CB 3.32Å; Y83-C88 PolarHBondContact O-N 3.18Å
84A98.6Very high98.5Very high45 Ų4560.3 Ų60.337%0.37234%0.339SS..Hα-helixtrans-59.3-47.4172.300000111.7R80 E81 Y82 K86 G87 L90R80-A84 WeakPolarHBondContact O-CB 3.46Å; R80-A84 PolarHBondContact O-N 3.32Å; E81-A84 PolarHBondContact O-N 3.32Å; Y82-A84 PolarHBondContact O-N 3.49Å; A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 2.82Å; A84-G87 PolarHBondContact O-N 3.28Å; A84-L90 HydrophobicContact CB-CD1 3.9Å; A84-L90 HydrophobicContact CB-CG 4.5Å
85T98.6Very high98.4Very high103 Ų10360.9 Ų60.963%0.63234%0.338SS*.Hα-helixtrans-63.1-34178.6-62.30000112.2E81 Y82 G87E81-T85 WeakPolarHBondContact O-CB 3.34Å; E81-T85 PolarHBondContact O-N 3.19Å; E81-T85 PolarHBondContact O-OG1 2.59Å; Y82-T85 PolarHBondContact O-N 3.23Å; T85-G87 PolarHBondContact O-N 3.07Å
86K98.5Very high98.3Very high80 Ų8067.1 Ų67.135%0.34837%0.367SS..THydrogen-bonded Turntrans-79.80.2176.6-66.3-59.6-170.8178.90114.2E61 L64 Y82 Y83 A84E61-K86 VanDerWaalsContact CD-NZ 3.26Å; E61-K86 IonicContact OE1-NZ 3.89Å; E61-K86 PolarHBondContact OE1-NZ 2.85Å; E61-K86 IonicContact OE2-NZ 3.86Å; L64-K86 HydrophobicContact CD1-CB 4.03Å; L64-K86 HydrophobicContact CD2-CB 3.71Å; L64-K86 HydrophobicContact CD2-CG 3.99Å; Y82-K86 HydrophobicContact CD1-CG 4.46Å; Y82-K86 HydrophobicContact CD2-CG 4.48Å; Y82-K86 HydrophobicContact CE1-CG 4.02Å; Y82-K86 HydrophobicContact CE2-CG 4.06Å; Y82-K86 WeakPolarHBondContact O-CG 3.33Å; Y82-K86 PolarHBondContact O-N 3.11Å; Y83-K86 PolarHBondContact O-N 3.42Å; A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 2.82Å
87G98.4Very high98.3Very high65 Ų6570.5 Ų70.567%0.6739%0.391SS*.THydrogen-bonded Turntrans85.813.2175.600000114.8Y83 A84 T85Y83-G87 PolarHBondContact O-N 2.92Å; A84-G87 PolarHBondContact O-N 3.28Å; T85-G87 PolarHBondContact O-N 3.07Å
88C98.7Very high98.2Very high11 Ų1168.4 Ų68.47%0.07437%0.371CS..  trans-68.5136.7170.8-59.60000110P65 Y83 L90P65-C88 PolarHBondContact O-SG 2.65Å; Y83-C88 VanDerWaalsContact O-CB 3.29Å; Y83-C88 WeakPolarHBondContact O-CB 3.32Å; Y83-C88 PolarHBondContact O-N 3.18Å; C88-L90 PolarHBondContact O-N 3.34Å
89E98.7Very high98.2Very high95 Ų9565.9 Ų65.944%0.44436%0.362SS..EExtended strand (participates in β ladder)trans-74.9118.7-179.8-170.1-176.6152.600110.8E66 F67 I68 I91 K111E66-E89 PolarHBondContact O-N 3.26Å; F67-E89 CarbonylContact C-O 3.4Å; F67-E89 WeakPolarHBondContact CA-O 3.26Å; F67-E89 HydrophobicContact CB-CB 4.01Å; F67-E89 WeakPolarHBondContact CB-O 3.42Å; I68-E89 PolarHBondContact N-O 2.96Å; E89-I91 HydrophobicContact CG-CD1 4.31Å; E89-I91 HydrophobicContact CG-CG1 3.93Å; E89-I91 WeakPolarHBondContact OE1-CD1 3.04Å; E89-K111 IonicContact OE1-NZ 3.68Å; E89-K111 PolarHBondContact OE1-NZ 3.42Å; E89-K111 IonicContact OE2-NZ 3.72Å; E89-K111 PolarHBondContact OE2-NZ 3.41Å
90L98.7Very high98.2Very high50 Ų5067.1 Ų67.126%0.26237%0.369SS..EExtended strand (participates in β ladder)trans-97.1114.8175.3-60.4-170000110.7I68 F72 R80 A84 C88I68-L90 HydrophobicContact CB-CD2 3.7Å; I68-L90 HydrophobicContact CD1-CD2 3.86Å; I68-L90 HydrophobicContact CG1-CD2 4.13Å; I68-L90 HydrophobicContact CG2-CD2 4.41Å; I68-L90 WeakPolarHBondContact O-CA 3.41Å; F72-L90 HydrophobicContact CZ-CB 4.22Å; R80-L90 HydrophobicContact CG-CD1 3.49Å; R80-L90 VanDerWaalsContact CG-CD1 3.49Å; A84-L90 HydrophobicContact CB-CD1 3.9Å; A84-L90 HydrophobicContact CB-CG 4.5Å; C88-L90 PolarHBondContact O-N 3.34Å
91I98.7Very high98.2Very high29 Ų2962.6 Ų62.615%0.14935%0.352CS..EExtended strand (participates in β ladder)trans-112.5106.9-175.2-51.6175.4000110F67 I68 N69 G70 E89 T93 M107F67-I91 HydrophobicContact CB-CD1 4.02Å; F67-I91 HydrophobicContact CD2-CD1 3.87Å; F67-I91 HydrophobicContact CG-CD1 4.09Å; I68-I91 PolarHBondContact O-N 2.72Å; N69-I91 WeakPolarHBondContact CA-O 3.46Å; N69-I91 HydrophobicContact CB-CB 4.07Å; N69-I91 WeakPolarHBondContact CB-O 3.39Å; G70-I91 PolarHBondContact N-O 3.28Å; E89-I91 HydrophobicContact CG-CD1 4.31Å; E89-I91 HydrophobicContact CG-CG1 3.93Å; E89-I91 WeakPolarHBondContact OE1-CD1 3.04Å; I91-T93 HydrophobicContact CG2-CG2 4.26Å; I91-T93 PolarHBondContact O-N 3.21Å; I91-M107 HydrophobicContact CD1-CG 4.5Å; I91-M107 HydrophobicContact CG2-CG 4.27Å; I91-M107 HydrophobicContact CG2-SD 3.86Å
92S98.5Very high98.2Very high74 Ų7457.1 Ų57.152%0.51733%0.327SS..EExtended strand (participates in β ladder)trans-71.4126.4174.8-174.10000110.6G70G70-S92 WeakPolarHBondContact O-CA 3.3Å
93T97.8Very high98.2Very high14 Ų1455.4 Ų55.49%0.08632%0.32CS..  trans-124.978.8176.753.70000109N69 G70 I91 D95 K103 M107N69-T93 HydrophobicContact CB-CG2 4.19Å; N69-T93 PolarHBondContact ND2-OG1 3.11Å; N69-T93 VanDerWaalsContact ND2-OG1 3.09Å; G70-T93 WeakPolarHBondContact CA-OG1 3.48Å; G70-T93 PolarHBondContact N-OG1 2.88Å; G70-T93 PolarHBondContact O-N 2.97Å; G70-T93 PolarHBondContact O-OG1 2.9Å; I91-T93 HydrophobicContact CG2-CG2 4.26Å; I91-T93 PolarHBondContact O-N 3.21Å; T93-D95 PolarHBondContact O-N 2.64Å; T93-K103 HydrophobicContact CG2-CB 4.24Å; T93-K103 WeakPolarHBondContact O-CD 3.34Å; T93-K103 WeakPolarHBondContact O-CE 3.46Å; T93-K103 PolarHBondContact O-NZ 2.83Å; T93-M107 HydrophobicContact CG2-CG 4.13Å; T93-M107 HydrophobicContact CG2-SD 4.42Å
94P96.9Very high98.2Very high94 Ų9455.4 Ų55.461%0.6132%0.32SS*.  trans-75.5-7.7-16630.9-37.8000114.8Q96P94-Q96 PolarHBondContact O-N 3.04Å; P94-Q96 PolarHBondContact O-NE2 3.19Å
95D96.5Very high98.2Very high58 Ų5853.3 Ų53.331%0.3130%0.303SS..  trans-51.9124.9179.2175.121000111.7T93 D97 H98 K103T93-D95 PolarHBondContact O-N 2.64Å; D95-D97 PolarHBondContact OD1-N 3.14Å; D95-H98 IonicContact OD1-ND1 3.44Å; D95-H98 IonicContact OD2-CE1 2.84Å; D95-H98 IonicContact OD2-CG 2.7Å; D95-H98 IonicContact OD2-ND1 3.49Å; D95-H98 PolarHBondContact OD2-ND1 3.24Å; D95-K103 HydrophobicContact CB-CD 3.91Å; D95-K103 WeakPolarHBondContact O-CD 3.2Å; D95-K103 PolarHBondContact O-NZ 2.86Å
96Q96.1Very high98.2Very high143 Ų14351.9 Ų51.967%0.66829%0.288SS*.SBendtrans-97.9-8.7-176.9-65.7-63.8-65.600112.6D71 P94 H98D71-Q96 PolarHBondContact OD2-NE2 3.49Å; P94-Q96 PolarHBondContact O-N 3.04Å; P94-Q96 PolarHBondContact O-NE2 3.19Å; Q96-H98 VanDerWaalsContact C-N 3.3Å
97D97.4Very high98.2Very high150 Ų15050.3 Ų50.380%0.80228%0.283SS*.SBendtrans-83.4-11.6176.7-66.1-29.6000112D95D95-D97 PolarHBondContact OD1-N 3.14Å
98H98Very high98.3Very high62 Ų6247.2 Ų47.229%0.28725%0.251SS..SBendtrans-131.8143.5-179.6-59.190.2000112D95 Q96 T102 K103D95-H98 IonicContact OD1-ND1 3.44Å; D95-H98 IonicContact OD2-CE1 2.84Å; D95-H98 IonicContact OD2-CG 2.7Å; D95-H98 IonicContact OD2-ND1 3.49Å; D95-H98 PolarHBondContact OD2-ND1 3.24Å; Q96-H98 VanDerWaalsContact C-N 3.3Å; H98-T102 HydrophobicContact CB-CG2 4.13Å; H98-K103 HydrophobicContact CB-CD 4.35Å; H98-K103 HydrophobicContact CB-CG 4Å; H98-K103 WeakPolarHBondContact O-CD 3.43Å; H98-K103 VanDerWaalsContact O-CE 3.23Å; H98-K103 WeakPolarHBondContact O-CE 3.42Å; H98-K103 PolarHBondContact O-NZ 2.81Å
99T98.4Very high98.2Very high38 Ų3847.5 Ų47.523%0.23325%0.251CS..  trans-66.2156.3174.863.20000112.1F101 T102 K103 A137T99-F101 PolarHBondContact O-N 3Å; T99-T102 PolarHBondContact O-N 3.41Å; T99-T102 VanDerWaalsContact O-N 3.08Å; T99-T102 PolarHBondContact OG1-N 3.27Å; T99-T102 PolarHBondContact OG1-OG1 3.3Å; T99-K103 WeakPolarHBondContact O-CE 3.39Å; T99-K103 WeakPolarHBondContact O-CG 3.44Å; T99-K103 PolarHBondContact O-N 2.84Å; T99-A137 HydrophobicContact CG2-CB 3.82Å
100D98.6Very high98.2Very high27 Ų2748.2 Ų48.214%0.14425%0.253CS..Hα-helixtrans-59.1-30.4172.8-71-34000112.8A45 D46 G70 D71 K103 C104A45-D100 HydrophobicContact CB-CB 4.24Å; D46-D100 HydrophobicContact CB-CB 4.42Å; D46-D100 VanDerWaalsContact CB-OD2 3.29Å; D46-D100 WeakPolarHBondContact CB-OD2 3.36Å; G70-D100 VanDerWaalsContact CA-OD1 3.28Å; G70-D100 WeakPolarHBondContact CA-OD1 3.46Å; D71-D100 PolarHBondContact N-OD1 3.39Å; D100-K103 PolarHBondContact O-N 3.47Å; D100-K103 WeakPolarHBondContact OD1-CE 3.47Å; D100-K103 IonicContact OD1-NZ 4Å; D100-K103 PolarHBondContact OD1-NZ 2.66Å; D100-C104 WeakPolarHBondContact O-CA 3.36Å; D100-C104 WeakPolarHBondContact O-CB 3.35Å; D100-C104 PolarHBondContact O-N 2.81Å
101F98.8Very high98.2Very high11 Ų1146.7 Ų46.75%0.04824%0.244CC..Hα-helixtrans-61.7-50.8172.1178.3-153.1000111.5V22 L24 T99 K103 C104 L105 T124 T141 I155V22-F101 HydrophobicContact CG1-CD2 4.39Å; V22-F101 HydrophobicContact CG1-CE2 4.48Å; L24-F101 HydrophobicContact CD1-CB 4.18Å; L24-F101 HydrophobicContact CD1-CD1 3.89Å; L24-F101 HydrophobicContact CD1-CD2 4.14Å; L24-F101 HydrophobicContact CD1-CE1 4.32Å; L24-F101 HydrophobicContact CD1-CG 3.81Å; L24-F101 HydrophobicContact CD2-CB 3.85Å; L24-F101 HydrophobicContact CD2-CD2 3.7Å; L24-F101 HydrophobicContact CD2-CE2 4.48Å; L24-F101 HydrophobicContact CD2-CG 3.86Å; L24-F101 HydrophobicContact CG-CD2 4.49Å; T99-F101 PolarHBondContact O-N 3Å; F101-K103 VanDerWaalsContact C-N 3.33Å; F101-K103 PolarHBondContact O-N 2.85Å; F101-C104 WeakPolarHBondContact O-CB 3.32Å; F101-C104 PolarHBondContact O-N 2.94Å; F101-L105 HydrophobicContact CD2-CD1 4.37Å; F101-L105 HydrophobicContact CD2-CG 4.15Å; F101-L105 HydrophobicContact CE2-CD1 3.86Å; F101-L105 HydrophobicContact CE2-CD2 3.96Å; F101-L105 HydrophobicContact CE2-CG 3.85Å; F101-L105 HydrophobicContact CZ-CD1 4.17Å; F101-L105 PolarHBondContact O-N 2.88Å; F101-T124 HydrophobicContact CD2-CG2 4.31Å; F101-T124 HydrophobicContact CE2-CG2 3.65Å; F101-T124 HydrophobicContact CZ-CG2 3.78Å; F101-T141 VanDerWaalsContact CD1-CB 3.49Å; F101-T141 HydrophobicContact CD1-CG2 3.44Å; F101-T141 VanDerWaalsContact CD1-CG2 3.44Å; F101-T141 WeakPolarHBondContact CD1-OG1 3.28Å; F101-T141 HydrophobicContact CD2-CG2 4.23Å; F101-T141 HydrophobicContact CE1-CG2 3.43Å; F101-T141 VanDerWaalsContact CE1-CG2 3.43Å; F101-T141 HydrophobicContact CE2-CG2 4.23Å; F101-T141 HydrophobicContact CG-CG2 3.85Å; F101-T141 HydrophobicContact CZ-CG2 3.84Å; F101-I155 HydrophobicContact CE1-CD1 3.6Å; F101-I155 HydrophobicContact CE1-CG1 4.44Å; F101-I155 HydrophobicContact CZ-CD1 3.89Å; F101-I155 HydrophobicContact CZ-CG1 4.26Å
102T98.8Very high98.2Very high6 Ų645.5 Ų45.54%0.03724%0.238CC..Hα-helixtrans-60.8-42.4176.5-66.60000111.6H98 T99 C104 L105 K106 T141 I148H98-T102 HydrophobicContact CB-CG2 4.13Å; T99-T102 PolarHBondContact O-N 3.41Å; T99-T102 VanDerWaalsContact O-N 3.08Å; T99-T102 PolarHBondContact OG1-N 3.27Å; T99-T102 PolarHBondContact OG1-OG1 3.3Å; T102-C104 VanDerWaalsContact C-N 3.33Å; T102-C104 PolarHBondContact O-N 3.43Å; T102-L105 PolarHBondContact O-N 3.21Å; T102-K106 PolarHBondContact O-N 2.86Å; T102-T141 WeakPolarHBondContact OG1-CG2 3.32Å; T102-T141 PolarHBondContact OG1-OG1 2.9Å; T102-I148 HydrophobicContact CG2-CD1 3.74Å
103K98.7Very high98.2Very high8 Ų848 Ų484%0.03524%0.241CC..Hα-helixtrans-65.7-36177.6-64.6174-55.2-1760111.4T93 D95 H98 T99 D100 F101 K106 M107T93-K103 HydrophobicContact CG2-CB 4.24Å; T93-K103 WeakPolarHBondContact O-CD 3.34Å; T93-K103 WeakPolarHBondContact O-CE 3.46Å; T93-K103 PolarHBondContact O-NZ 2.83Å; D95-K103 HydrophobicContact CB-CD 3.91Å; D95-K103 WeakPolarHBondContact O-CD 3.2Å; D95-K103 PolarHBondContact O-NZ 2.86Å; H98-K103 HydrophobicContact CB-CD 4.35Å; H98-K103 HydrophobicContact CB-CG 4Å; H98-K103 WeakPolarHBondContact O-CD 3.43Å; H98-K103 VanDerWaalsContact O-CE 3.23Å; H98-K103 WeakPolarHBondContact O-CE 3.42Å; H98-K103 PolarHBondContact O-NZ 2.81Å; T99-K103 WeakPolarHBondContact O-CE 3.39Å; T99-K103 WeakPolarHBondContact O-CG 3.44Å; T99-K103 PolarHBondContact O-N 2.84Å; D100-K103 PolarHBondContact O-N 3.47Å; D100-K103 WeakPolarHBondContact OD1-CE 3.47Å; D100-K103 IonicContact OD1-NZ 4Å; D100-K103 PolarHBondContact OD1-NZ 2.66Å; F101-K103 VanDerWaalsContact C-N 3.33Å; F101-K103 PolarHBondContact O-N 2.85Å; K103-K106 WeakPolarHBondContact O-CB 3.27Å; K103-K106 PolarHBondContact O-N 2.78Å; K103-M107 WeakPolarHBondContact O-CG 3.41Å; K103-M107 PolarHBondContact O-N 3.43Å; K103-M107 VanDerWaalsContact O-N 3.07Å
104C98.9Very high98.2Very high0 Ų053.1 Ų53.10%026%0.264CS..Hα-helixtrans-61.9-44.9175.6-167.20000111.4A45 N69 D100 F101 T102 K106 M107 L108A45-C104 HydrophobicContact CB-CB 4.12Å; N69-C104 PolarHBondContact ND2-N 2.88Å; N69-C104 WeakPolarHBondContact OD1-CA 3.45Å; N69-C104 WeakPolarHBondContact OD1-CB 3.49Å; N69-C104 PolarHBondContact OD1-SG 3.15Å; D100-C104 WeakPolarHBondContact O-CA 3.36Å; D100-C104 WeakPolarHBondContact O-CB 3.35Å; D100-C104 PolarHBondContact O-N 2.81Å; F101-C104 WeakPolarHBondContact O-CB 3.32Å; F101-C104 PolarHBondContact O-N 2.94Å; T102-C104 VanDerWaalsContact C-N 3.33Å; T102-C104 PolarHBondContact O-N 3.43Å; C104-K106 VanDerWaalsContact C-N 3.33Å; C104-K106 PolarHBondContact O-N 3.39Å; C104-M107 PolarHBondContact O-N 2.87Å; C104-M107 VanDerWaalsContact O-N 3.16Å; C104-L108 WeakPolarHBondContact O-CB 3.42Å; C104-L108 PolarHBondContact O-N 3.33Å
105L98.9Very high98.2Very high1 Ų154.2 Ų54.21%0.00526%0.259CS..Hα-helixtrans-61.4-40.2176.2-66.3179.9000112.4V22 F101 T102 M107 L108 Q109 I122 T141 A145 I148 I153V22-L105 HydrophobicContact CG2-CD2 4.44Å; F101-L105 HydrophobicContact CD2-CD1 4.37Å; F101-L105 HydrophobicContact CD2-CG 4.15Å; F101-L105 HydrophobicContact CE2-CD1 3.86Å; F101-L105 HydrophobicContact CE2-CD2 3.96Å; F101-L105 HydrophobicContact CE2-CG 3.85Å; F101-L105 HydrophobicContact CZ-CD1 4.17Å; F101-L105 PolarHBondContact O-N 2.88Å; T102-L105 PolarHBondContact O-N 3.21Å; L105-M107 VanDerWaalsContact C-N 3.33Å; L105-M107 PolarHBondContact O-N 3.31Å; L105-L108 PolarHBondContact O-N 3.23Å; L105-Q109 WeakPolarHBondContact O-CB 3.42Å; L105-Q109 PolarHBondContact O-N 2.81Å; L105-I122 HydrophobicContact CD2-CD1 4.38Å; L105-I122 HydrophobicContact CD2-CG2 4.15Å; L105-T141 HydrophobicContact CD1-CG2 3.52Å; L105-A145 HydrophobicContact CD1-CB 4.27Å; L105-I148 HydrophobicContact CB-CG2 4.01Å; L105-I153 HydrophobicContact CD1-CD1 3.45Å; L105-I153 VanDerWaalsContact CD1-CD1 3.45Å; L105-I153 HydrophobicContact CD2-CD1 3.77Å; L105-I153 HydrophobicContact CG-CD1 4.21Å
106K98.7Very high98.3Very high74 Ų7458.7 Ų58.732%0.32228%0.283SS..Hα-helixtrans-60.3-43.1174.3-66.4174.5-177.6174.30111.4T102 K103 C104 K110 I148T102-K106 PolarHBondContact O-N 2.86Å; K103-K106 WeakPolarHBondContact O-CB 3.27Å; K103-K106 PolarHBondContact O-N 2.78Å; C104-K106 VanDerWaalsContact C-N 3.33Å; C104-K106 PolarHBondContact O-N 3.39Å; K106-K110 PolarHBondContact O-N 3.24Å; K106-I148 HydrophobicContact CB-CG2 4.44Å; K106-I148 HydrophobicContact CG-CD1 4.2Å; K106-I148 HydrophobicContact CG-CG1 4.24Å; K106-I148 HydrophobicContact CG-CG2 3.89Å
107M98.6Very high98.3Very high47 Ų4754.3 Ų54.323%0.23226%0.264CS..Hα-helixtrans-69.4-40.8177.6-65.5-5695.600112.3F67 N69 I91 T93 K103 C104 L105 K110 K111F67-M107 HydrophobicContact CE2-CB 3.77Å; F67-M107 HydrophobicContact CZ-CB 3.97Å; N69-M107 HydrophobicContact CB-CG 4.33Å; I91-M107 HydrophobicContact CD1-CG 4.5Å; I91-M107 HydrophobicContact CG2-CG 4.27Å; I91-M107 HydrophobicContact CG2-SD 3.86Å; T93-M107 HydrophobicContact CG2-CG 4.13Å; T93-M107 HydrophobicContact CG2-SD 4.42Å; K103-M107 WeakPolarHBondContact O-CG 3.41Å; K103-M107 PolarHBondContact O-N 3.43Å; K103-M107 VanDerWaalsContact O-N 3.07Å; C104-M107 PolarHBondContact O-N 2.87Å; C104-M107 VanDerWaalsContact O-N 3.16Å; L105-M107 VanDerWaalsContact C-N 3.33Å; L105-M107 PolarHBondContact O-N 3.31Å; M107-K110 PolarHBondContact O-N 2.89Å; M107-K111 WeakPolarHBondContact O-CG 3.38Å; M107-K111 PolarHBondContact O-N 2.97Å
108L98.8Very high98.3Very high0 Ų055.8 Ų55.80%026%0.263CS..Hα-helixtrans-63.4-46.2178.2-178.660.9000111.1C20 V22 L41 F67 C104 L105 K110 K111 I112 I122C20-L108 HydrophobicContact CB-CD1 4Å; C20-L108 HydrophobicContact CB-CD2 3.83Å; C20-L108 HydrophobicContact CB-CG 4.38Å; V22-L108 HydrophobicContact CG2-CD2 3.66Å; L41-L108 HydrophobicContact CB-CD1 4.24Å; L41-L108 HydrophobicContact CD1-CD1 4.08Å; F67-L108 HydrophobicContact CE1-CB 4.39Å; F67-L108 HydrophobicContact CE1-CD1 4.12Å; F67-L108 HydrophobicContact CZ-CB 4.07Å; C104-L108 WeakPolarHBondContact O-CB 3.42Å; C104-L108 PolarHBondContact O-N 3.33Å; L105-L108 PolarHBondContact O-N 3.23Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 3.36Å; L108-K111 PolarHBondContact O-N 3.07Å; L108-K111 VanDerWaalsContact O-N 3.14Å; L108-I112 HydrophobicContact CD1-CD1 4.3Å; L108-I112 HydrophobicContact CD1-CG1 4.4Å; L108-I112 HydrophobicContact CG-CD1 3.91Å; L108-I112 HydrophobicContact CG-CG1 4.46Å; L108-I112 WeakPolarHBondContact O-CG1 3.45Å; L108-I112 PolarHBondContact O-N 3.11Å; L108-I122 HydrophobicContact CD2-CD1 3.96Å; L108-I122 HydrophobicContact CD2-CG1 4.13Å; L108-I122 HydrophobicContact CD2-CG2 3.84Å
109Q98.6Very high98.3Very high16 Ų1653.3 Ų53.38%0.07525%0.253CS..Hα-helixtrans-56.8-48.6176.6178.363.219.700111.3L105 K111 I112 E113 I148 T149 F151L105-Q109 WeakPolarHBondContact O-CB 3.42Å; L105-Q109 PolarHBondContact O-N 2.81Å; Q109-K111 VanDerWaalsContact C-N 3.29Å; Q109-K111 PolarHBondContact O-N 2.79Å; Q109-I112 WeakPolarHBondContact O-CB 3.48Å; Q109-I112 PolarHBondContact O-N 3.39Å; Q109-I112 VanDerWaalsContact O-N 3.13Å; Q109-E113 PolarHBondContact NE2-OE1 3.04Å; Q109-E113 WeakPolarHBondContact O-CG 3.24Å; Q109-E113 PolarHBondContact O-N 3.42Å; Q109-I148 WeakPolarHBondContact CG-O 3.5Å; Q109-T149 PolarHBondContact OE1-OG1 3.12Å; Q109-F151 VanDerWaalsContact OE1-CE2 3.3Å
110K98.4Very high98.3Very high111 Ų11155.3 Ų55.348%0.48326%0.262SS..Hα-helixtrans-56.3-44.5176.9178.7176170.2-179.70111.5K106 M107 L108 E113 E114K106-K110 PolarHBondContact O-N 3.24Å; M107-K110 PolarHBondContact O-N 2.89Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 3.36Å; K110-E113 PolarHBondContact O-N 3.46Å; K110-E114 WeakPolarHBondContact CE-OE1 3.3Å; K110-E114 HydrophobicContact CG-CG 4.38Å; K110-E114 IonicContact NZ-OE1 3.39Å; K110-E114 WeakPolarHBondContact O-CB 3.4Å; K110-E114 VanDerWaalsContact O-CG 3.24Å; K110-E114 WeakPolarHBondContact O-CG 3.32Å; K110-E114 PolarHBondContact O-N 3.37Å
111K98.5Very high98.3Very high17 Ų1754 Ų547%0.07426%0.255CS..Hα-helixtrans-68.1-33.5177.9-72.9-175.4-172.5-63.20113.5L41 F67 E89 M107 L108 Q109 K115L41-K111 HydrophobicContact CD1-CB 4.3Å; F67-K111 HydrophobicContact CD1-CD 3.41Å; F67-K111 VanDerWaalsContact CD1-CD 3.41Å; F67-K111 VanDerWaalsContact CD1-CE 3.44Å; F67-K111 HydrophobicContact CE1-CD 3.7Å; F67-K111 HydrophobicContact CG-CD 4.12Å; E89-K111 IonicContact OE1-NZ 3.68Å; E89-K111 PolarHBondContact OE1-NZ 3.42Å; E89-K111 IonicContact OE2-NZ 3.72Å; E89-K111 PolarHBondContact OE2-NZ 3.41Å; M107-K111 WeakPolarHBondContact O-CG 3.38Å; M107-K111 PolarHBondContact O-N 2.97Å; L108-K111 PolarHBondContact O-N 3.07Å; L108-K111 VanDerWaalsContact O-N 3.14Å; Q109-K111 VanDerWaalsContact C-N 3.29Å; Q109-K111 PolarHBondContact O-N 2.79Å; K111-K115 VanDerWaalsContact O-CB 3.29Å; K111-K115 WeakPolarHBondContact O-CB 2.81Å; K111-K115 WeakPolarHBondContact O-CG 3.47Å; K111-K115 PolarHBondContact O-N 3.16Å; K111-K115 VanDerWaalsContact O-N 3.12Å
112I98.5Very high98.3Very high4 Ų453.6 Ų53.62%0.02125%0.253CS..Hα-helixtrans-63.2-46.6174.7-71.2164.1000109.9L41 L108 Q109 K115 D116 L117 V119 F151L41-I112 HydrophobicContact CD1-CG1 4.33Å; L108-I112 HydrophobicContact CD1-CD1 4.3Å; L108-I112 HydrophobicContact CD1-CG1 4.4Å; L108-I112 HydrophobicContact CG-CD1 3.91Å; L108-I112 HydrophobicContact CG-CG1 4.46Å; L108-I112 WeakPolarHBondContact O-CG1 3.45Å; L108-I112 PolarHBondContact O-N 3.11Å; Q109-I112 WeakPolarHBondContact O-CB 3.48Å; Q109-I112 PolarHBondContact O-N 3.39Å; Q109-I112 VanDerWaalsContact O-N 3.13Å; I112-K115 PolarHBondContact O-N 3.26Å; I112-D116 PolarHBondContact O-N 2.87Å; I112-D116 VanDerWaalsContact O-N 3.09Å; I112-L117 HydrophobicContact CG2-CB 4.26Å; I112-L117 PolarHBondContact O-N 3.14Å; I112-L117 VanDerWaalsContact O-N 3.08Å; I112-V119 HydrophobicContact CD1-CG2 4.01Å; I112-V119 HydrophobicContact CG1-CG2 4.07Å; I112-V119 HydrophobicContact CG2-CG2 4Å; I112-F151 HydrophobicContact CB-CE2 4.36Å; I112-F151 HydrophobicContact CD1-CD2 4.01Å; I112-F151 HydrophobicContact CD1-CE2 3.86Å; I112-F151 HydrophobicContact CG2-CE2 3.59Å; I112-F151 HydrophobicContact CG2-CZ 3.8Å
113E98.2Very high98.3Very high126 Ų12653.3 Ų53.359%0.58925%0.251SS*.Hα-helixtrans-64.8-47.7177.8-69.1171.6-17800112Q109 K110 K115 D116Q109-E113 PolarHBondContact NE2-OE1 3.04Å; Q109-E113 WeakPolarHBondContact O-CG 3.24Å; Q109-E113 PolarHBondContact O-N 3.42Å; K110-E113 PolarHBondContact O-N 3.46Å; E113-K115 PolarHBondContact O-N 3.34Å; E113-D116 PolarHBondContact O-N 3.38Å; E113-D116 VanDerWaalsContact O-N 3.14Å
114E97.9Very high98.3Very high123 Ų12352.9 Ų52.958%0.57525%0.25SC*.Hα-helixtrans-59.8-32.2178.9-76.1172.9169.600113.1K110K110-E114 WeakPolarHBondContact CE-OE1 3.3Å; K110-E114 HydrophobicContact CG-CG 4.38Å; K110-E114 IonicContact NZ-OE1 3.39Å; K110-E114 WeakPolarHBondContact O-CB 3.4Å; K110-E114 VanDerWaalsContact O-CG 3.24Å; K110-E114 WeakPolarHBondContact O-CG 3.32Å; K110-E114 PolarHBondContact O-N 3.37Å
115K97.8Very high98.3Very high117 Ų11753 Ų5351%0.50925%0.25SS..THydrogen-bonded Turntrans-96.20.7-179.3-68172.7179.9-78.10113.5L41 K111 I112 E113 L117L41-K115 HydrophobicContact CD1-CD 4.24Å; L41-K115 HydrophobicContact CD2-CD 4.04Å; K111-K115 VanDerWaalsContact O-CB 3.29Å; K111-K115 WeakPolarHBondContact O-CB 2.81Å; K111-K115 WeakPolarHBondContact O-CG 3.47Å; K111-K115 PolarHBondContact O-N 3.16Å; K111-K115 VanDerWaalsContact O-N 3.12Å; I112-K115 PolarHBondContact O-N 3.26Å; E113-K115 PolarHBondContact O-N 3.34Å; K115-L117 HydrophobicContact CB-CD1 4.01Å; K115-L117 HydrophobicContact CB-CD2 4.24Å; K115-L117 HydrophobicContact CB-CG 3.67Å; K115-L117 HydrophobicContact CD-CD1 4.11Å; K115-L117 PolarHBondContact O-N 2.92Å
116D97.5Very high98.3Very high151 Ų15153.1 Ų53.181%0.80725%0.251SS*.THydrogen-bonded Turntrans48.445.3-175.7-167.735.3000112.7I112 E113I112-D116 PolarHBondContact O-N 2.87Å; I112-D116 VanDerWaalsContact O-N 3.09Å; E113-D116 PolarHBondContact O-N 3.38Å; E113-D116 VanDerWaalsContact O-N 3.14Å
117L97.2Very high98.3Very high52 Ų5250 Ų5027%0.27224%0.24SC..  trans-84.4135.1-177-63176.5000111.5L41 I112 K115 V119L41-L117 HydrophobicContact CD1-CD1 3.54Å; L41-L117 HydrophobicContact CD2-CD1 4.31Å; L41-L117 HydrophobicContact CG-CD1 3.7Å; I112-L117 HydrophobicContact CG2-CB 4.26Å; I112-L117 PolarHBondContact O-N 3.14Å; I112-L117 VanDerWaalsContact O-N 3.08Å; K115-L117 HydrophobicContact CB-CD1 4.01Å; K115-L117 HydrophobicContact CB-CD2 4.24Å; K115-L117 HydrophobicContact CB-CG 3.67Å; K115-L117 HydrophobicContact CD-CD1 4.11Å; K115-L117 PolarHBondContact O-N 2.92Å; L117-V119 HydrophobicContact CB-CG2 4.22Å; L117-V119 PolarHBondContact O-N 2.99Å
118K96.8Very high98.3Very high180 Ų18049.2 Ų49.278%0.78324%0.237SC*.  trans-82.6114.3166.3-67.6-171.8177.5-175.70109.6K18 L40K18-K118 VanDerWaalsContact CB-O 3.26Å; K18-K118 WeakPolarHBondContact CB-O 3.29Å; L40-K118 VanDerWaalsContact CD1-O 3.25Å; L40-K118 WeakPolarHBondContact CD1-O 3.44Å
119V98.1Very high98.3Very high11 Ų1150.6 Ų50.67%0.06725%0.248CC..  trans-121.4132.7179.6-178.90000108.8L40 I112 L117 V121 F151L40-V119 HydrophobicContact CD1-CG2 4.2Å; I112-V119 HydrophobicContact CD1-CG2 4.01Å; I112-V119 HydrophobicContact CG1-CG2 4.07Å; I112-V119 HydrophobicContact CG2-CG2 4Å; L117-V119 HydrophobicContact CB-CG2 4.22Å; L117-V119 PolarHBondContact O-N 2.99Å; V119-V121 VanDerWaalsContact CG1-O 3.29Å; V119-V121 WeakPolarHBondContact CG1-O 3.29Å; V119-F151 HydrophobicContact CB-CD1 4.09Å; V119-F151 HydrophobicContact CB-CD2 4.32Å; V119-F151 HydrophobicContact CB-CE1 4.05Å; V119-F151 HydrophobicContact CB-CE2 4.33Å; V119-F151 HydrophobicContact CB-CG 4.24Å; V119-F151 HydrophobicContact CB-CZ 4.19Å; V119-F151 HydrophobicContact CG1-CD1 4.4Å; V119-F151 HydrophobicContact CG1-CD2 4.39Å; V119-F151 HydrophobicContact CG1-CG 4.2Å; V119-F151 WeakPolarHBondContact O-CD1 3.41Å; V119-F151 VanDerWaalsContact O-CE1 3.29Å; V119-F151 WeakPolarHBondContact O-CE1 3.23Å
120D98.2Very high98.2Very high80 Ų8052.7 Ų52.743%0.42827%0.274SS..SBendtrans-95.5-32.8176.4-56.3-46.9000111.3L17 K18 P152L17-D120 HydrophobicContact CD1-CB 3.64Å; L17-D120 HydrophobicContact CG-CB 4.43Å; K18-D120 WeakPolarHBondContact CB-OD2 3.49Å; K18-D120 PolarHBondContact N-OD2 2.95Å; K18-D120 WeakPolarHBondContact O-CA 3.26Å; K18-D120 WeakPolarHBondContact O-CB 3.33Å; K18-D120 PolarHBondContact O-N 2.97Å; D120-P152 WeakPolarHBondContact O-CD 3.5Å
121V98.7Very high98.2Very high0 Ų054.9 Ų54.90%028%0.279CS..EExtended strand (participates in β ladder)trans-156152.4-179.463.50000112F5 P10 L17 K18 Y19 C20 V119 V123 P152 I154F5-V121 HydrophobicContact CE2-CB 4.29Å; F5-V121 HydrophobicContact CE2-CG2 4.13Å; F5-V121 HydrophobicContact CZ-CG2 3.93Å; P10-V121 HydrophobicContact CG-CG1 4.25Å; L17-V121 HydrophobicContact CD2-CG1 3.82Å; L17-V121 HydrophobicContact CG-CG1 4.25Å; K18-V121 PolarHBondContact O-N 3.49Å; Y19-V121 WeakPolarHBondContact CA-O 3.28Å; Y19-V121 WeakPolarHBondContact CB-O 3.42Å; C20-V121 PolarHBondContact N-O 3.29Å; V119-V121 VanDerWaalsContact CG1-O 3.29Å; V119-V121 WeakPolarHBondContact CG1-O 3.29Å; V121-V123 HydrophobicContact CG1-CG2 4.24Å; V121-P152 CarbonylContact C-O 3.54Å; V121-P152 WeakPolarHBondContact CA-O 3.38Å; V121-P152 HydrophobicContact CG2-CB 4.27Å; V121-P152 WeakPolarHBondContact CG2-O 3.42Å; V121-I154 HydrophobicContact CG2-CD1 4.41Å; V121-I154 HydrophobicContact CG2-CG1 4.2Å; V121-I154 HydrophobicContact CG2-CG2 4.33Å
122I98.9Very high98.2Very high1 Ų161.2 Ų61.21%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-102.7120.1165.3-61.4168.6000108.4C20 V22 L105 L108 T149 F151 P152 I153 I154C20-I122 HydrophobicContact CB-CG1 4.46Å; V22-I122 HydrophobicContact CG2-CG2 3.92Å; L105-I122 HydrophobicContact CD2-CD1 4.38Å; L105-I122 HydrophobicContact CD2-CG2 4.15Å; L108-I122 HydrophobicContact CD2-CD1 3.96Å; L108-I122 HydrophobicContact CD2-CG1 4.13Å; L108-I122 HydrophobicContact CD2-CG2 3.84Å; I122-T149 HydrophobicContact CD1-CG2 4.1Å; I122-F151 HydrophobicContact CD1-CB 4.32Å; I122-F151 HydrophobicContact CD1-CD2 4.43Å; I122-F151 HydrophobicContact CG1-CB 4.34Å; I122-P152 PolarHBondContact N-O 3.24Å; I122-I153 HydrophobicContact CB-CG1 4.2Å; I122-I153 HydrophobicContact CB-CG2 4.41Å; I122-I153 HydrophobicContact CD1-CD1 4.31Å; I122-I153 HydrophobicContact CD1-CG1 4.31Å; I122-I153 HydrophobicContact CG2-CG2 4.4Å; I122-I153 WeakPolarHBondContact O-CA 3.26Å; I122-I154 PolarHBondContact O-N 3.02Å
123V98.8Very high98.2Very high0 Ų064.9 Ų64.90%033%0.326CS..EExtended strand (participates in β ladder)trans-95.6121.8175.5-176.20000109.3P10 Y19 C20 L21 V22 L35 V121 L125 I154 I156P10-V123 HydrophobicContact CB-CG2 3.83Å; P10-V123 HydrophobicContact CG-CG2 3.72Å; Y19-V123 HydrophobicContact CD2-CB 4.38Å; Y19-V123 HydrophobicContact CD2-CG2 3.89Å; Y19-V123 HydrophobicContact CE2-CG2 4.49Å; Y19-V123 HydrophobicContact CG-CG2 4.11Å; C20-V123 PolarHBondContact O-N 3.01Å; L21-V123 CarbonylContact C-O 3.58Å; L21-V123 WeakPolarHBondContact CA-O 3.24Å; L21-V123 HydrophobicContact CD1-CB 4.05Å; L21-V123 HydrophobicContact CD1-CG1 4Å; V22-V123 PolarHBondContact N-O 2.84Å; L35-V123 HydrophobicContact CD1-CG1 4.22Å; V121-V123 HydrophobicContact CG1-CG2 4.24Å; V123-L125 HydrophobicContact CG1-CD2 4.34Å; V123-I154 HydrophobicContact CB-CG1 4.36Å; V123-I154 HydrophobicContact CG1-CD1 4.31Å; V123-I154 HydrophobicContact CG1-CG1 4.31Å; V123-I154 HydrophobicContact CG2-CD1 3.94Å; V123-I154 HydrophobicContact CG2-CG1 4.15Å; V123-I156 HydrophobicContact CG1-CD1 4.07Å
124T98.9Very high98.2Very high0 Ų063 Ų630%032%0.317CS..EExtended strand (participates in β ladder)trans-107.8130.9176.4-51.90000109.8V22 L24 F101 I154 I155 I156V22-T124 HydrophobicContact CB-CG2 4.27Å; V22-T124 HydrophobicContact CG1-CG2 4.22Å; V22-T124 CarbonylContact O-C 3.54Å; V22-T124 WeakPolarHBondContact O-CA 3.35Å; L24-T124 HydrophobicContact CD1-CG2 3.63Å; L24-T124 HydrophobicContact CD2-CG2 4.16Å; L24-T124 HydrophobicContact CG-CG2 3.63Å; F101-T124 HydrophobicContact CD2-CG2 4.31Å; F101-T124 HydrophobicContact CE2-CG2 3.65Å; F101-T124 HydrophobicContact CZ-CG2 3.78Å; T124-I154 WeakPolarHBondContact CB-O 3.45Å; T124-I154 PolarHBondContact N-O 2.77Å; T124-I154 PolarHBondContact OG1-O 2.87Å; T124-I155 HydrophobicContact CG2-CG1 4.46Å; T124-I155 HydrophobicContact CG2-CG2 4.29Å; T124-I155 WeakPolarHBondContact O-CA 3.32Å; T124-I156 PolarHBondContact O-N 2.87Å
125L98.8Very high98.3Very high3 Ų358.5 Ų58.52%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-104.1127175.5-61.3-173.2000110.9L21 V22 L24 L28 Y31 F32 L35 V123 I156L21-L125 HydrophobicContact CD1-CD1 3.97Å; L21-L125 HydrophobicContact CD1-CG 3.87Å; V22-L125 PolarHBondContact O-N 3.28Å; L24-L125 WeakPolarHBondContact CB-O 3.34Å; L24-L125 PolarHBondContact N-O 3.39Å; L28-L125 HydrophobicContact CD2-CB 4.05Å; L28-L125 HydrophobicContact CD2-CD1 3.86Å; Y31-L125 HydrophobicContact CE2-CD2 4.02Å; F32-L125 HydrophobicContact CB-CD1 3.66Å; L35-L125 HydrophobicContact CD1-CD1 4.25Å; L35-L125 HydrophobicContact CD1-CD2 3.72Å; L35-L125 HydrophobicContact CD1-CG 4.45Å; V123-L125 HydrophobicContact CG1-CD2 4.34Å; L125-I156 CarbonylContact C-O 3.57Å; L125-I156 WeakPolarHBondContact CA-O 3.42Å; L125-I156 HydrophobicContact CD2-CB 4.12Å; L125-I156 HydrophobicContact CD2-CG2 4.22Å
126G98.5Very high98.3Very high2 Ų256.8 Ų56.82%0.02129%0.292CS..  trans86.2176.6-177.600000113.7I155 I156G126-I155 WeakPolarHBondContact O-CG2 3.24Å; G126-I156 PolarHBondContact N-O 2.8Å
127G98.4Very high98.4Very high8 Ų850.6 Ų50.68%0.08226%0.262CS..  trans97.84.4176.600000115I135 S138G127-I135 WeakPolarHBondContact O-CA 3.28Å; G127-S138 WeakPolarHBondContact CA-OG 3.43Å; G127-S138 VanDerWaalsContact O-CB 3.3Å; G127-S138 WeakPolarHBondContact O-CB 3.42Å; G127-S138 PolarHBondContact O-OG 3.12Å
128L98.7Very high98.4Very high31 Ų3148.4 Ų48.416%0.16225%0.251CS..SBendtrans-106.3-5.3178.1-50.2-177.4000114I135 I155 Q157 I162L128-I135 WeakPolarHBondContact O-CD1 3.33Å; L128-I155 HydrophobicContact CD1-CG2 4.21Å; L128-I155 HydrophobicContact CD2-CB 4.13Å; L128-I155 HydrophobicContact CD2-CG2 3.67Å; L128-I155 HydrophobicContact CG-CG2 3.79Å; L128-Q157 HydrophobicContact CB-CB 4.01Å; L128-Q157 HydrophobicContact CD1-CB 4.22Å; L128-Q157 HydrophobicContact CG-CB 4.14Å; L128-I162 HydrophobicContact CD1-CG1 4.34Å; L128-I162 HydrophobicContact CD1-CG2 4.44Å; L128-I162 HydrophobicContact CD2-CD1 3.42Å; L128-I162 VanDerWaalsContact CD2-CD1 3.42Å; L128-I162 HydrophobicContact CD2-CG1 3.7Å
129A98.1Very high98.5Very high30 Ų3040.3 Ų40.325%0.24822%0.217CC..SBendtrans-130.6-178.3174.900000112.5Q157A129-Q157 VanDerWaalsContact N-OE1 3.08Å
130G97.7Very high98.6Very high59 Ų5944 Ų4461%0.60824%0.236SC*.SBendtrans81.6-127.8179.700000112.9F132G130-F132 PolarHBondContact O-N 3.43Å
131R98.2Very high98.6Very high158 Ų15840.2 Ų40.260%0.59622%0.216SC*.SBendtrans-64.6118.1-177.9-90.6-179.464.6176.82.5110.6D133 Q134 I135R131-D133 VanDerWaalsContact C-N 3.29Å; R131-D133 WeakPolarHBondContact CB-OD1 3.35Å; R131-D133 IonicContact CZ-OD1 3.54Å; R131-D133 IonicContact CZ-OD2 2.7Å; R131-D133 IonicContact NE-OD1 3.49Å; R131-D133 PolarHBondContact NE-OD1 3.04Å; R131-D133 VanDerWaalsContact NE-OD1 3.12Å; R131-D133 IonicContact NE-OD2 2.88Å; R131-D133 IonicContact NH2-OD1 3.29Å; R131-D133 IonicContact NH2-OD2 3.47Å; R131-D133 PolarHBondContact NH2-OD2 3.48Å; R131-D133 PolarHBondContact O-N 3.16Å; R131-Q134 HydrophobicContact CB-CB 4.04Å; R131-Q134 HydrophobicContact CB-CG 3.88Å; R131-Q134 WeakPolarHBondContact O-CA 3.42Å; R131-Q134 WeakPolarHBondContact O-CB 3.33Å; R131-Q134 PolarHBondContact O-N 3.48Å; R131-I135 PolarHBondContact O-N 2.97Å
132F98.6Very high98.6Very high149 Ų14940.6 Ų40.665%0.65422%0.218SC*.Hα-helixtrans-58-38.9-175.7-175.7-100.3000113.7G130 Q134 I135 M136G130-F132 PolarHBondContact O-N 3.43Å; F132-Q134 VanDerWaalsContact C-N 3.26Å; F132-Q134 PolarHBondContact O-N 3.06Å; F132-I135 WeakPolarHBondContact O-CB 3.04Å; F132-I135 PolarHBondContact O-N 3.13Å; F132-M136 HydrophobicContact CD1-CG 4.25Å; F132-M136 HydrophobicContact CE1-CG 3.77Å; F132-M136 HydrophobicContact CE1-SD 4.35Å; F132-M136 HydrophobicContact CE2-CE 4Å; F132-M136 HydrophobicContact CZ-CE 4.01Å; F132-M136 HydrophobicContact CZ-CG 3.96Å; F132-M136 HydrophobicContact CZ-SD 3.98Å; F132-M136 PolarHBondContact O-N 2.72Å
133D98.6Very high98.6Very high81 Ų8142.8 Ų42.843%0.43323%0.227SC..Hα-helixtrans-61.2-36.5175.561.9-58.6000112.1R131 M136 A137R131-D133 VanDerWaalsContact C-N 3.29Å; R131-D133 WeakPolarHBondContact CB-OD1 3.35Å; R131-D133 IonicContact CZ-OD1 3.54Å; R131-D133 IonicContact CZ-OD2 2.7Å; R131-D133 IonicContact NE-OD1 3.49Å; R131-D133 PolarHBondContact NE-OD1 3.04Å; R131-D133 VanDerWaalsContact NE-OD1 3.12Å; R131-D133 IonicContact NE-OD2 2.88Å; R131-D133 IonicContact NH2-OD1 3.29Å; R131-D133 IonicContact NH2-OD2 3.47Å; R131-D133 PolarHBondContact NH2-OD2 3.48Å; R131-D133 PolarHBondContact O-N 3.16Å; D133-M136 PolarHBondContact O-N 3.06Å; D133-A137 WeakPolarHBondContact O-CB 3.49Å; D133-A137 PolarHBondContact O-N 3.03Å
134Q98.3Very high98.6Very high86 Ų8646.5 Ų46.540%0.40225%0.245SC..Hα-helixtrans-72.5-34.7175.7-66.1-69.6-17.500112.1R131 F132 M136 A137 S138R131-Q134 HydrophobicContact CB-CB 4.04Å; R131-Q134 HydrophobicContact CB-CG 3.88Å; R131-Q134 WeakPolarHBondContact O-CA 3.42Å; R131-Q134 WeakPolarHBondContact O-CB 3.33Å; R131-Q134 PolarHBondContact O-N 3.48Å; F132-Q134 VanDerWaalsContact C-N 3.26Å; F132-Q134 PolarHBondContact O-N 3.06Å; Q134-M136 VanDerWaalsContact C-N 3.34Å; Q134-A137 PolarHBondContact O-N 2.84Å; Q134-S138 PolarHBondContact O-N 2.94Å; Q134-S138 PolarHBondContact O-OG 2.83Å; Q134-S138 VanDerWaalsContact O-OG 3.13Å
135I98.8Very high98.6Very high30 Ų3046.8 Ų46.815%0.15425%0.247CC..Hα-helixtrans-59.1-49172-57.5172.6000109.8G127 L128 R131 F132 A137 S138 V139G127-I135 WeakPolarHBondContact O-CA 3.28Å; L128-I135 WeakPolarHBondContact O-CD1 3.33Å; R131-I135 PolarHBondContact O-N 2.97Å; F132-I135 WeakPolarHBondContact O-CB 3.04Å; F132-I135 PolarHBondContact O-N 3.13Å; I135-A137 VanDerWaalsContact C-N 3.29Å; I135-A137 PolarHBondContact O-N 3.22Å; I135-S138 WeakPolarHBondContact O-CB 3.49Å; I135-S138 PolarHBondContact O-N 3.36Å; I135-V139 PolarHBondContact O-N 3.39Å; I135-V139 VanDerWaalsContact O-N 3.15Å
136M98.8Very high98.5Very high80 Ų8049.6 Ų49.639%0.39426%0.264SS..Hα-helixtrans-64.7-33.8177.1-63.3-60.599.600112.1F132 D133 Q134 V139 N140F132-M136 HydrophobicContact CD1-CG 4.25Å; F132-M136 HydrophobicContact CE1-CG 3.77Å; F132-M136 HydrophobicContact CE1-SD 4.35Å; F132-M136 HydrophobicContact CE2-CE 4Å; F132-M136 HydrophobicContact CZ-CE 4.01Å; F132-M136 HydrophobicContact CZ-CG 3.96Å; F132-M136 HydrophobicContact CZ-SD 3.98Å; F132-M136 PolarHBondContact O-N 2.72Å; D133-M136 PolarHBondContact O-N 3.06Å; Q134-M136 VanDerWaalsContact C-N 3.34Å; M136-V139 PolarHBondContact O-N 2.9Å; M136-N140 WeakPolarHBondContact O-CB 3.49Å; M136-N140 PolarHBondContact O-N 2.86Å
137A98.7Very high98.5Very high21 Ų2157.3 Ų57.317%0.17430%0.3CS..Hα-helixtrans-67.3-35.4174.700000112.8T99 D133 Q134 I135 N140 T141T99-A137 HydrophobicContact CG2-CB 3.82Å; D133-A137 WeakPolarHBondContact O-CB 3.49Å; D133-A137 PolarHBondContact O-N 3.03Å; Q134-A137 PolarHBondContact O-N 2.84Å; I135-A137 VanDerWaalsContact C-N 3.29Å; I135-A137 PolarHBondContact O-N 3.22Å; A137-N140 PolarHBondContact O-N 2.78Å; A137-T141 WeakPolarHBondContact O-CB 3.29Å; A137-T141 PolarHBondContact O-N 3.32Å; A137-T141 PolarHBondContact O-OG1 2.98Å
138S98.8Very high98.5Very high7 Ų758.5 Ų58.55%0.04930%0.304CS..Hα-helixtrans-62.2-44.3171.5-58.10000111.3G127 Q134 I135 T141 L142G127-S138 WeakPolarHBondContact CA-OG 3.43Å; G127-S138 VanDerWaalsContact O-CB 3.3Å; G127-S138 WeakPolarHBondContact O-CB 3.42Å; G127-S138 PolarHBondContact O-OG 3.12Å; Q134-S138 PolarHBondContact O-N 2.94Å; Q134-S138 PolarHBondContact O-OG 2.83Å; Q134-S138 VanDerWaalsContact O-OG 3.13Å; I135-S138 WeakPolarHBondContact O-CB 3.49Å; I135-S138 PolarHBondContact O-N 3.36Å; S138-T141 WeakPolarHBondContact O-CB 3.35Å; S138-T141 PolarHBondContact O-N 3.47Å; S138-L142 PolarHBondContact O-N 3.01Å
139V98.9Very high98.5Very high10 Ų1057.5 Ų57.56%0.06130%0.299CS..Hα-helixtrans-61.8-47.8174.6178.80000110.7I135 M136 T141 L142 F143 I162 V188 L236I135-V139 PolarHBondContact O-N 3.39Å; I135-V139 VanDerWaalsContact O-N 3.15Å; M136-V139 PolarHBondContact O-N 2.9Å; V139-T141 PolarHBondContact O-N 3.27Å; V139-L142 WeakPolarHBondContact O-CB 3.35Å; V139-L142 PolarHBondContact O-N 3.3Å; V139-F143 HydrophobicContact CG1-CD2 4.47Å; V139-F143 HydrophobicContact CG1-CE2 4.08Å; V139-F143 WeakPolarHBondContact O-CD2 3.33Å; V139-F143 PolarHBondContact O-N 2.83Å; V139-I162 HydrophobicContact CG2-CD1 3.91Å; V139-V188 HydrophobicContact CG1-CB 4.29Å; V139-V188 HydrophobicContact CG1-CG1 3.85Å; V139-V188 HydrophobicContact CG1-CG2 4.17Å; V139-L236 HydrophobicContact CG1-CD2 4.15Å; V139-L236 HydrophobicContact CG2-CD2 4.25Å
140N98.8Very high98.4Very high88 Ų8861 Ų6147%0.47132%0.319SS..Hα-helixtrans-60.8-32.4177-173.853.6000112.7M136 A137 L142 F143 Q144M136-N140 WeakPolarHBondContact O-CB 3.49Å; M136-N140 PolarHBondContact O-N 2.86Å; A137-N140 PolarHBondContact O-N 2.78Å; N140-L142 VanDerWaalsContact C-N 3.27Å; N140-L142 PolarHBondContact O-N 3.38Å; N140-F143 WeakPolarHBondContact O-CB 3.33Å; N140-F143 PolarHBondContact O-N 3.42Å; N140-F143 VanDerWaalsContact O-N 3.11Å; N140-Q144 PolarHBondContact O-N 3.12Å
141T98.9Very high98.4Very high1 Ų160.2 Ų60.21%0.00630%0.299CS..Hα-helixtrans-62.2-35.8174.5-59.90000111.3F101 T102 L105 A137 S138 V139 F143 Q144 A145F101-T141 VanDerWaalsContact CD1-CB 3.49Å; F101-T141 HydrophobicContact CD1-CG2 3.44Å; F101-T141 VanDerWaalsContact CD1-CG2 3.44Å; F101-T141 WeakPolarHBondContact CD1-OG1 3.28Å; F101-T141 HydrophobicContact CD2-CG2 4.23Å; F101-T141 HydrophobicContact CE1-CG2 3.43Å; F101-T141 VanDerWaalsContact CE1-CG2 3.43Å; F101-T141 HydrophobicContact CE2-CG2 4.23Å; F101-T141 HydrophobicContact CG-CG2 3.85Å; F101-T141 HydrophobicContact CZ-CG2 3.84Å; T102-T141 WeakPolarHBondContact OG1-CG2 3.32Å; T102-T141 PolarHBondContact OG1-OG1 2.9Å; L105-T141 HydrophobicContact CD1-CG2 3.52Å; A137-T141 WeakPolarHBondContact O-CB 3.29Å; A137-T141 PolarHBondContact O-N 3.32Å; A137-T141 PolarHBondContact O-OG1 2.98Å; S138-T141 WeakPolarHBondContact O-CB 3.35Å; S138-T141 PolarHBondContact O-N 3.47Å; V139-T141 PolarHBondContact O-N 3.27Å; T141-F143 VanDerWaalsContact C-N 3.3Å; T141-F143 PolarHBondContact O-N 3.11Å; T141-Q144 PolarHBondContact O-N 3.27Å; T141-A145 VanDerWaalsContact O-CB 3.28Å; T141-A145 WeakPolarHBondContact O-CB 3.41Å; T141-A145 PolarHBondContact O-N 2.65Å
142L98.8Very high98.4Very high7 Ų754.7 Ų54.74%0.03728%0.283CS..Hα-helixtrans-64.6-33.2174.2-63.3177.6000112.7S138 V139 N140 I153 I155 I162 L164 L236S138-L142 PolarHBondContact O-N 3.01Å; V139-L142 WeakPolarHBondContact O-CB 3.35Å; V139-L142 PolarHBondContact O-N 3.3Å; N140-L142 VanDerWaalsContact C-N 3.27Å; N140-L142 PolarHBondContact O-N 3.38Å; L142-I153 HydrophobicContact CD2-CB 3.85Å; L142-I153 HydrophobicContact CD2-CG2 3.8Å; L142-I155 HydrophobicContact CD1-CD1 3.98Å; L142-I155 HydrophobicContact CD1-CG1 4.37Å; L142-I155 HydrophobicContact CD2-CD1 3.93Å; L142-I155 HydrophobicContact CD2-CG1 4.05Å; L142-I155 HydrophobicContact CG-CD1 3.87Å; L142-I155 HydrophobicContact CG-CG1 4.44Å; L142-I162 HydrophobicContact CD1-CD1 3.84Å; L142-I162 HydrophobicContact CD1-CG1 4.07Å; L142-L164 HydrophobicContact CB-CB 3.94Å; L142-L164 HydrophobicContact CB-CD2 4.12Å; L142-L164 HydrophobicContact CD1-CB 4.34Å; L142-L164 WeakPolarHBondContact O-CD2 3.43Å; L142-L236 HydrophobicContact CD1-CD1 3.9Å
143F98.7Very high98.4Very high47 Ų4748 Ų4821%0.20626%0.255CS..Hα-helixtrans-67.1-48.2173.4-77.7-100.7000110.9V139 N140 T141 A145 T146 L164 V188 P234V139-F143 HydrophobicContact CG1-CD2 4.47Å; V139-F143 HydrophobicContact CG1-CE2 4.08Å; V139-F143 WeakPolarHBondContact O-CD2 3.33Å; V139-F143 PolarHBondContact O-N 2.83Å; N140-F143 WeakPolarHBondContact O-CB 3.33Å; N140-F143 PolarHBondContact O-N 3.42Å; N140-F143 VanDerWaalsContact O-N 3.11Å; T141-F143 VanDerWaalsContact C-N 3.3Å; T141-F143 PolarHBondContact O-N 3.11Å; F143-A145 VanDerWaalsContact C-N 3.27Å; F143-A145 PolarHBondContact O-N 2.92Å; F143-T146 PolarHBondContact O-OG1 2.81Å; F143-L164 HydrophobicContact CB-CD2 4.3Å; F143-L164 HydrophobicContact CD1-CD2 4.01Å; F143-L164 HydrophobicContact CD2-CD1 4.39Å; F143-L164 HydrophobicContact CD2-CD2 3.71Å; F143-L164 HydrophobicContact CE1-CD1 4.37Å; F143-L164 HydrophobicContact CE1-CD2 4.24Å; F143-L164 HydrophobicContact CE2-CD1 3.78Å; F143-L164 HydrophobicContact CE2-CD2 3.94Å; F143-L164 HydrophobicContact CG-CD2 3.74Å; F143-L164 HydrophobicContact CZ-CD1 3.76Å; F143-L164 HydrophobicContact CZ-CD2 4.2Å; F143-V188 HydrophobicContact CE2-CB 4.36Å; F143-V188 HydrophobicContact CZ-CB 4.39Å; F143-P234 HydrophobicContact CD1-CB 4.36Å; F143-P234 HydrophobicContact CE1-CB 3.67Å; F143-P234 HydrophobicContact CE1-CG 4.2Å; F143-P234 HydrophobicContact CZ-CB 4.22Å
144Q98.7Very high98.5Very high79 Ų7944.1 Ų44.137%0.36923%0.234SC..Hα-helixtrans-66-29.9178.9-64.4-72.527.100112.9N140 T141 T146 H147 I148N140-Q144 PolarHBondContact O-N 3.12Å; T141-Q144 PolarHBondContact O-N 3.27Å; Q144-T146 PolarHBondContact O-N 3.09Å; Q144-T146 VanDerWaalsContact O-N 3.12Å; Q144-H147 PolarHBondContact O-N 3.45Å; Q144-I148 HydrophobicContact CB-CD1 4.3Å
145A98.4Very high98.5Very high6 Ų640 Ų405%0.0522%0.215CC..Hα-helixtrans-56.4-30.5-177.400000113.2L105 T141 F143 H147 I148 T149 I153L105-A145 HydrophobicContact CD1-CB 4.27Å; T141-A145 VanDerWaalsContact O-CB 3.28Å; T141-A145 WeakPolarHBondContact O-CB 3.41Å; T141-A145 PolarHBondContact O-N 2.65Å; F143-A145 VanDerWaalsContact C-N 3.27Å; F143-A145 PolarHBondContact O-N 2.92Å; A145-H147 PolarHBondContact O-N 3.02Å; A145-H147 VanDerWaalsContact O-N 3.11Å; A145-I148 PolarHBondContact O-N 3.13Å; A145-T149 PolarHBondContact O-N 3.08Å; A145-I153 HydrophobicContact CB-CD1 3.49Å; A145-I153 VanDerWaalsContact CB-CD1 3.49Å; A145-I153 HydrophobicContact CB-CG1 4.35Å
146T96.9Very high98.5Very high61 Ų6138.6 Ų38.637%0.37421%0.207SC..THydrogen-bonded Turntrans-58-23.817761.70000113.8F143 Q144 Q166F143-T146 PolarHBondContact O-OG1 2.81Å; Q144-T146 PolarHBondContact O-N 3.09Å; Q144-T146 VanDerWaalsContact O-N 3.12Å; T146-Q166 HydrophobicContact CG2-CG 4.29Å; T146-Q166 VanDerWaalsContact CG2-NE2 3.27Å
147H98Very high98.5Very high165 Ų16535 Ų3576%0.76419%0.19SC*.THydrogen-bonded Turntrans-101.9-6.7175.8-58.8-52000113.4Q144 A145Q144-H147 PolarHBondContact O-N 3.45Å; A145-H147 PolarHBondContact O-N 3.02Å; A145-H147 VanDerWaalsContact O-N 3.11Å
148I98.6Very high98.4Very high33 Ų3339.7 Ų39.717%0.16921%0.208CC..THydrogen-bonded Turntrans-99.6-42.6-177.2-63.8169.6000110.4T102 L105 K106 Q109 Q144 A145T102-I148 HydrophobicContact CG2-CD1 3.74Å; L105-I148 HydrophobicContact CB-CG2 4.01Å; K106-I148 HydrophobicContact CB-CG2 4.44Å; K106-I148 HydrophobicContact CG-CD1 4.2Å; K106-I148 HydrophobicContact CG-CG1 4.24Å; K106-I148 HydrophobicContact CG-CG2 3.89Å; Q109-I148 WeakPolarHBondContact CG-O 3.5Å; Q144-I148 HydrophobicContact CB-CD1 4.3Å; A145-I148 PolarHBondContact O-N 3.13Å
149T98.3Very high98.3Very high10 Ų1044 Ų446%0.06123%0.227CC..  trans-146.3143.5-173.1179.30000111Q109 I122 A145 F151 I153Q109-T149 PolarHBondContact OE1-OG1 3.12Å; I122-T149 HydrophobicContact CD1-CG2 4.1Å; A145-T149 PolarHBondContact O-N 3.08Å; T149-F151 PolarHBondContact O-N 3.28Å; T149-F151 WeakPolarHBondContact OG1-CD2 3Å; T149-F151 PolarHBondContact OG1-N 3.14Å; T149-I153 HydrophobicContact CG2-CD1 3.76Å; T149-I153 HydrophobicContact CG2-CG1 4.24Å
150P97.5Very high98.3Very high104 Ų10445.3 Ų45.368%0.67524%0.237SC*.SBendtrans-77.2-10173.833.4-36.4000113
151F98.1Very high98.3Very high42 Ų4241.1 Ų41.118%0.18422%0.215CC..SBendtrans-83.2140.2-174.2-51.2-60.1000111.5Q109 I112 V119 I122 T149Q109-F151 VanDerWaalsContact OE1-CE2 3.3Å; I112-F151 HydrophobicContact CB-CE2 4.36Å; I112-F151 HydrophobicContact CD1-CD2 4.01Å; I112-F151 HydrophobicContact CD1-CE2 3.86Å; I112-F151 HydrophobicContact CG2-CE2 3.59Å; I112-F151 HydrophobicContact CG2-CZ 3.8Å; V119-F151 HydrophobicContact CB-CD1 4.09Å; V119-F151 HydrophobicContact CB-CD2 4.32Å; V119-F151 HydrophobicContact CB-CE1 4.05Å; V119-F151 HydrophobicContact CB-CE2 4.33Å; V119-F151 HydrophobicContact CB-CG 4.24Å; V119-F151 HydrophobicContact CB-CZ 4.19Å; V119-F151 HydrophobicContact CG1-CD1 4.4Å; V119-F151 HydrophobicContact CG1-CD2 4.39Å; V119-F151 HydrophobicContact CG1-CG 4.2Å; V119-F151 WeakPolarHBondContact O-CD1 3.41Å; V119-F151 VanDerWaalsContact O-CE1 3.29Å; V119-F151 WeakPolarHBondContact O-CE1 3.23Å; I122-F151 HydrophobicContact CD1-CB 4.32Å; I122-F151 HydrophobicContact CD1-CD2 4.43Å; I122-F151 HydrophobicContact CG1-CB 4.34Å; T149-F151 PolarHBondContact O-N 3.28Å; T149-F151 WeakPolarHBondContact OG1-CD2 3Å; T149-F151 PolarHBondContact OG1-N 3.14Å
152P98.2Very high98.3Very high41 Ų4141.7 Ų41.727%0.26622%0.218SC..  trans-53141.2167.7-2432.6000111.6F5 D120 V121 I122 Y163F5-P152 HydrophobicContact CE2-CB 4.32Å; D120-P152 WeakPolarHBondContact O-CD 3.5Å; V121-P152 CarbonylContact C-O 3.54Å; V121-P152 WeakPolarHBondContact CA-O 3.38Å; V121-P152 HydrophobicContact CG2-CB 4.27Å; V121-P152 WeakPolarHBondContact CG2-O 3.42Å; I122-P152 PolarHBondContact N-O 3.24Å; P152-Y163 HydrophobicContact CB-CE2 4.12Å
153I98.9Very high98.3Very high9 Ų942.6 Ų42.65%0.04622%0.221CC..EExtended strand (participates in β ladder)trans-123.2126.1175.4-48.9-168.8000109.1L105 I122 L142 A145 T149 Y163L105-I153 HydrophobicContact CD1-CD1 3.45Å; L105-I153 VanDerWaalsContact CD1-CD1 3.45Å; L105-I153 HydrophobicContact CD2-CD1 3.77Å; L105-I153 HydrophobicContact CG-CD1 4.21Å; I122-I153 HydrophobicContact CB-CG1 4.2Å; I122-I153 HydrophobicContact CB-CG2 4.41Å; I122-I153 HydrophobicContact CD1-CD1 4.31Å; I122-I153 HydrophobicContact CD1-CG1 4.31Å; I122-I153 HydrophobicContact CG2-CG2 4.4Å; I122-I153 WeakPolarHBondContact O-CA 3.26Å; L142-I153 HydrophobicContact CD2-CB 3.85Å; L142-I153 HydrophobicContact CD2-CG2 3.8Å; A145-I153 HydrophobicContact CB-CD1 3.49Å; A145-I153 VanDerWaalsContact CB-CD1 3.49Å; A145-I153 HydrophobicContact CB-CG1 4.35Å; T149-I153 HydrophobicContact CG2-CD1 3.76Å; T149-I153 HydrophobicContact CG2-CG1 4.24Å; I153-Y163 WeakPolarHBondContact O-CD2 3.29Å
154I98.9Very high98.3Very high0 Ų040.8 Ų40.80%021%0.213CC..EExtended strand (participates in β ladder)trans-111.7148.3170.364.2178.6000109.6F5 P7 P10 V121 I122 V123 T124 I156 L161 Y163F5-I154 HydrophobicContact CE1-CG2 3.69Å; F5-I154 HydrophobicContact CZ-CG2 3.69Å; P7-I154 WeakPolarHBondContact O-CD1 3.36Å; P10-I154 HydrophobicContact CG-CD1 3.99Å; V121-I154 HydrophobicContact CG2-CD1 4.41Å; V121-I154 HydrophobicContact CG2-CG1 4.2Å; V121-I154 HydrophobicContact CG2-CG2 4.33Å; I122-I154 PolarHBondContact O-N 3.02Å; V123-I154 HydrophobicContact CB-CG1 4.36Å; V123-I154 HydrophobicContact CG1-CD1 4.31Å; V123-I154 HydrophobicContact CG1-CG1 4.31Å; V123-I154 HydrophobicContact CG2-CD1 3.94Å; V123-I154 HydrophobicContact CG2-CG1 4.15Å; T124-I154 WeakPolarHBondContact CB-O 3.45Å; T124-I154 PolarHBondContact N-O 2.77Å; T124-I154 PolarHBondContact OG1-O 2.87Å; I154-I156 HydrophobicContact CD1-CD1 3.9Å; I154-I156 HydrophobicContact CD1-CG1 4.44Å; I154-I156 HydrophobicContact CG1-CD1 4.5Å; I154-L161 HydrophobicContact CB-CD1 4.26Å; I154-L161 HydrophobicContact CB-CG 4.44Å; I154-L161 HydrophobicContact CD1-CD1 4.05Å; I154-Y163 HydrophobicContact CG2-CD2 4.17Å; I154-Y163 HydrophobicContact CG2-CG 4.34Å
155I98.9Very high98.3Very high0 Ų037 Ų370%020%0.196CC..EExtended strand (participates in β ladder)trans-119.8129.6172.9-49.6179.2000107.8F101 T124 G126 L128 L142 L161 I162F101-I155 HydrophobicContact CE1-CD1 3.6Å; F101-I155 HydrophobicContact CE1-CG1 4.44Å; F101-I155 HydrophobicContact CZ-CD1 3.89Å; F101-I155 HydrophobicContact CZ-CG1 4.26Å; T124-I155 HydrophobicContact CG2-CG1 4.46Å; T124-I155 HydrophobicContact CG2-CG2 4.29Å; T124-I155 WeakPolarHBondContact O-CA 3.32Å; G126-I155 WeakPolarHBondContact O-CG2 3.24Å; L128-I155 HydrophobicContact CD1-CG2 4.21Å; L128-I155 HydrophobicContact CD2-CB 4.13Å; L128-I155 HydrophobicContact CD2-CG2 3.67Å; L128-I155 HydrophobicContact CG-CG2 3.79Å; L142-I155 HydrophobicContact CD1-CD1 3.98Å; L142-I155 HydrophobicContact CD1-CG1 4.37Å; L142-I155 HydrophobicContact CD2-CD1 3.93Å; L142-I155 HydrophobicContact CD2-CG1 4.05Å; L142-I155 HydrophobicContact CG-CD1 3.87Å; L142-I155 HydrophobicContact CG-CG1 4.44Å; I155-L161 CarbonylContact O-C 3.54Å; I155-L161 VanDerWaalsContact O-CA 3.28Å; I155-L161 WeakPolarHBondContact O-CA 3.41Å; I155-I162 HydrophobicContact CB-CD1 4.4Å; I155-I162 HydrophobicContact CB-CG1 3.81Å; I155-I162 HydrophobicContact CD1-CD1 4.14Å; I155-I162 HydrophobicContact CD1-CG1 4.37Å; I155-I162 HydrophobicContact CG1-CG1 4.3Å; I155-I162 PolarHBondContact N-O 2.81Å; I155-I162 PolarHBondContact O-N 2.99Å
156I98.6Very high98.3Very high0 Ų039.9 Ų39.90%021%0.208CC..EExtended strand (participates in β ladder)trans-126.1131.1-175.9-67.9175.6000108.5L11 Y31 V123 T124 L125 G126 I154 S160 L161 I241L11-I156 HydrophobicContact CD2-CD1 4.48Å; Y31-I156 HydrophobicContact CE2-CG2 3.61Å; Y31-I156 WeakPolarHBondContact OH-CG2 3.39Å; V123-I156 HydrophobicContact CG1-CD1 4.07Å; T124-I156 PolarHBondContact O-N 2.87Å; L125-I156 CarbonylContact C-O 3.57Å; L125-I156 WeakPolarHBondContact CA-O 3.42Å; L125-I156 HydrophobicContact CD2-CB 4.12Å; L125-I156 HydrophobicContact CD2-CG2 4.22Å; G126-I156 PolarHBondContact N-O 2.8Å; I154-I156 HydrophobicContact CD1-CD1 3.9Å; I154-I156 HydrophobicContact CD1-CG1 4.44Å; I154-I156 HydrophobicContact CG1-CD1 4.5Å; I156-S160 WeakPolarHBondContact CA-O 3.44Å; I156-L161 HydrophobicContact CD1-CD1 4.02Å; I156-L161 HydrophobicContact CG1-CB 4.23Å; I156-L161 HydrophobicContact CG1-CD1 3.8Å; I156-L161 HydrophobicContact CG1-CG 4.03Å; I156-I241 HydrophobicContact CB-CD1 4.36Å; I156-I241 HydrophobicContact CG1-CD1 4.2Å; I156-I241 HydrophobicContact CG2-CD1 3.5Å; I156-I241 VanDerWaalsContact CG2-CD1 3.5Å
157Q98.3Very high98.4Very high5 Ų540 Ų402%0.02321%0.21CC..EExtended strand (participates in β ladder)trans-154.5133.2168.5-176.3171.3-4.300109.4L128 A129 E159 S160L128-Q157 HydrophobicContact CB-CB 4.01Å; L128-Q157 HydrophobicContact CD1-CB 4.22Å; L128-Q157 HydrophobicContact CG-CB 4.14Å; A129-Q157 VanDerWaalsContact N-OE1 3.08Å; Q157-E159 PolarHBondContact O-N 2.83Å; Q157-S160 PolarHBondContact N-O 2.96Å; Q157-S160 PolarHBondContact O-N 3.3Å
158E96.7Very high98.4Very high118 Ų11833.5 Ų33.555%0.55119%0.187SC*.THydrogen-bonded Turntrans51.4-122.2-175.5-62.7174.9-175.300111.3D29 Y31D29-E158 VanDerWaalsContact CG-N 3.34Å; D29-E158 WeakPolarHBondContact OD1-CA 3.44Å; D29-E158 PolarHBondContact OD1-N 3.04Å; D29-E158 PolarHBondContact OD2-N 3.31Å; Y31-E158 PolarHBondContact OH-N 3.05Å; Y31-E158 PolarHBondContact OH-O 3.43Å; Y31-E158 VanDerWaalsContact OH-O 3.11Å
159E97.5Very high98.4Very high97 Ų9736.7 Ų36.745%0.45320%0.2SC..THydrogen-bonded Turntrans-96.115.2-179.8-60.6-173.416400112.7Q157 A240 I241 S243Q157-E159 PolarHBondContact O-N 2.83Å; E159-A240 CarbonylContact O-C 3.52Å; E159-A240 VanDerWaalsContact O-CA 3.3Å; E159-A240 WeakPolarHBondContact O-CA 3.43Å; E159-I241 PolarHBondContact O-N 2.86Å; E159-S243 WeakPolarHBondContact OE1-CB 2.86Å; E159-S243 PolarHBondContact OE1-OG 3.36Å
160S98.5Very high98.4Very high39 Ų3936.5 Ų36.527%0.27320%0.198SC..EExtended strand (participates in β ladder)trans-120.3133.9-174.7-63.80000113I156 Q157I156-S160 WeakPolarHBondContact CA-O 3.44Å; Q157-S160 PolarHBondContact N-O 2.96Å; Q157-S160 PolarHBondContact O-N 3.3Å
161L98.7Very high98.5Very high0 Ų035.4 Ų35.40%018%0.181CC..EExtended strand (participates in β ladder)trans-116.5143164.8-179.1154000110.3P7 L8 I154 I155 I156 T238 M239 I241P7-L161 HydrophobicContact CB-CD1 4.06Å; P7-L161 HydrophobicContact CB-CD2 4.18Å; L8-L161 HydrophobicContact CD2-CB 4.39Å; L8-L161 HydrophobicContact CD2-CD1 3.47Å; L8-L161 VanDerWaalsContact CD2-CD1 3.47Å; I154-L161 HydrophobicContact CB-CD1 4.26Å; I154-L161 HydrophobicContact CB-CG 4.44Å; I154-L161 HydrophobicContact CD1-CD1 4.05Å; I155-L161 CarbonylContact O-C 3.54Å; I155-L161 VanDerWaalsContact O-CA 3.28Å; I155-L161 WeakPolarHBondContact O-CA 3.41Å; I156-L161 HydrophobicContact CD1-CD1 4.02Å; I156-L161 HydrophobicContact CG1-CB 4.23Å; I156-L161 HydrophobicContact CG1-CD1 3.8Å; I156-L161 HydrophobicContact CG1-CG 4.03Å; L161-T238 VanDerWaalsContact O-CA 3.23Å; L161-T238 WeakPolarHBondContact O-CA 3.13Å; L161-T238 PolarHBondContact O-OG1 2.86Å; L161-M239 HydrophobicContact CB-CG 3.94Å; L161-M239 HydrophobicContact CD2-CG 4.03Å; L161-M239 HydrophobicContact CD2-SD 4.24Å; L161-M239 HydrophobicContact CG-CG 4.48Å; L161-M239 PolarHBondContact N-O 3.18Å; L161-M239 PolarHBondContact O-N 3.09Å; L161-I241 HydrophobicContact CB-CD1 4.18Å; L161-I241 HydrophobicContact CB-CG1 4.28Å
162I98.9Very high98.5Very high13 Ų1333.4 Ų33.47%0.06717%0.172CC..EExtended strand (participates in β ladder)trans-126146.6164.265.6169.1000112.5L128 V139 L142 I155 L236 W237L128-I162 HydrophobicContact CD1-CG1 4.34Å; L128-I162 HydrophobicContact CD1-CG2 4.44Å; L128-I162 HydrophobicContact CD2-CD1 3.42Å; L128-I162 VanDerWaalsContact CD2-CD1 3.42Å; L128-I162 HydrophobicContact CD2-CG1 3.7Å; V139-I162 HydrophobicContact CG2-CD1 3.91Å; L142-I162 HydrophobicContact CD1-CD1 3.84Å; L142-I162 HydrophobicContact CD1-CG1 4.07Å; I155-I162 HydrophobicContact CB-CD1 4.4Å; I155-I162 HydrophobicContact CB-CG1 3.81Å; I155-I162 HydrophobicContact CD1-CD1 4.14Å; I155-I162 HydrophobicContact CD1-CG1 4.37Å; I155-I162 HydrophobicContact CG1-CG1 4.3Å; I155-I162 PolarHBondContact N-O 2.81Å; I155-I162 PolarHBondContact O-N 2.99Å; I162-L236 HydrophobicContact CB-CD1 4.2Å; I162-L236 HydrophobicContact CB-CD2 4.35Å; I162-L236 HydrophobicContact CB-CG 4.33Å; I162-L236 HydrophobicContact CD1-CD1 4.33Å; I162-L236 HydrophobicContact CD1-CD2 4.31Å; I162-L236 HydrophobicContact CG2-CD2 4.33Å; I162-W237 WeakPolarHBondContact CA-O 3.12Å
163Y98.9Very high98.5Very high25 Ų2534.2 Ų34.210%0.09817%0.172CC..EExtended strand (participates in β ladder)trans-147.3131.6178.3173.5-131.8000109.9F5 P152 I153 I154 L165 L172 W237F5-Y163 AromaticContact CD1-CD1 3.9Å; F5-Y163 HydrophobicContact CD1-CD1 3.9Å; F5-Y163 AromaticContact CD1-CE1 3.64Å; F5-Y163 HydrophobicContact CD1-CE1 3.64Å; F5-Y163 HydrophobicContact CE1-CD1 4.09Å; F5-Y163 HydrophobicContact CE1-CD2 4.46Å; F5-Y163 HydrophobicContact CE1-CE1 4.13Å; F5-Y163 HydrophobicContact CE1-CG 4.27Å; F5-Y163 HydrophobicContact CG-CE1 4.39Å; P152-Y163 HydrophobicContact CB-CE2 4.12Å; I153-Y163 WeakPolarHBondContact O-CD2 3.29Å; I154-Y163 HydrophobicContact CG2-CD2 4.17Å; I154-Y163 HydrophobicContact CG2-CG 4.34Å; Y163-L165 HydrophobicContact CD1-CD2 3.48Å; Y163-L165 VanDerWaalsContact CD1-CD2 3.48Å; Y163-L165 HydrophobicContact CE1-CD2 3.36Å; Y163-L172 HydrophobicContact CD1-CD2 4.49Å; Y163-L172 HydrophobicContact CE1-CD2 4.31Å; Y163-W237 PolarHBondContact N-O 2.96Å; Y163-W237 WeakPolarHBondContact O-CB 3.48Å; Y163-W237 PolarHBondContact O-N 3.48Å
164L98.8Very high98.5Very high10 Ų1034.4 Ų34.45%0.05217%0.173CC..EExtended strand (participates in β ladder)trans-90.3109.9-178.6-173.566.7000111.3L142 F143 Q166 P234 L236L142-L164 HydrophobicContact CB-CB 3.94Å; L142-L164 HydrophobicContact CB-CD2 4.12Å; L142-L164 HydrophobicContact CD1-CB 4.34Å; L142-L164 WeakPolarHBondContact O-CD2 3.43Å; F143-L164 HydrophobicContact CB-CD2 4.3Å; F143-L164 HydrophobicContact CD1-CD2 4.01Å; F143-L164 HydrophobicContact CD2-CD1 4.39Å; F143-L164 HydrophobicContact CD2-CD2 3.71Å; F143-L164 HydrophobicContact CE1-CD1 4.37Å; F143-L164 HydrophobicContact CE1-CD2 4.24Å; F143-L164 HydrophobicContact CE2-CD1 3.78Å; F143-L164 HydrophobicContact CE2-CD2 3.94Å; F143-L164 HydrophobicContact CG-CD2 3.74Å; F143-L164 HydrophobicContact CZ-CD1 3.76Å; F143-L164 HydrophobicContact CZ-CD2 4.2Å; L164-Q166 PolarHBondContact O-N 3.25Å; L164-P234 HydrophobicContact CD1-CB 4.05Å; L164-P234 HydrophobicContact CD2-CB 4.46Å; L164-P234 HydrophobicContact CG-CB 4.37Å; L164-L236 HydrophobicContact CB-CD1 4.2Å; L164-L236 HydrophobicContact CD1-CB 4.34Å; L164-L236 HydrophobicContact CD1-CD1 4.12Å
165L98.7Very high98.5Very high0 Ų039.3 Ų39.30%020%0.2CC..EExtended strand (participates in β ladder)trans-77120174.5-52.3-179.9000109.3Y163 H170 L172 L185 V229 P234 L235 W237Y163-L165 HydrophobicContact CD1-CD2 3.48Å; Y163-L165 VanDerWaalsContact CD1-CD2 3.48Å; Y163-L165 HydrophobicContact CE1-CD2 3.36Å; L165-H170 HydrophobicContact CD2-CB 4.34Å; L165-L172 HydrophobicContact CD2-CD1 4.46Å; L165-L172 HydrophobicContact CD2-CD2 4.29Å; L165-L185 HydrophobicContact CD1-CD2 4.18Å; L165-V229 HydrophobicContact CD1-CB 3.82Å; L165-V229 HydrophobicContact CD1-CG1 3.72Å; L165-V229 HydrophobicContact CD1-CG2 4Å; L165-P234 CarbonylContact O-C 3.57Å; L165-P234 VanDerWaalsContact O-CA 3.24Å; L165-P234 WeakPolarHBondContact O-CA 3.26Å; L165-L235 VanDerWaalsContact CB-O 3.24Å; L165-L235 WeakPolarHBondContact CB-O 3.28Å; L165-L235 WeakPolarHBondContact CG-O 3.36Å; L165-L235 PolarHBondContact N-O 3.38Å; L165-L235 PolarHBondContact O-N 3.3Å; L165-W237 HydrophobicContact CD1-CB 4.08Å; L165-W237 HydrophobicContact CD2-CB 4.28Å; L165-W237 HydrophobicContact CG-CB 3.99Å
166Q98.4Very high98.4Very high65 Ų6540.6 Ų40.630%0.30421%0.208SC..PPolyproline II helixtrans-74.4163.6173.2-65.8-55.5-49.700111.5T146 L164 G168 H170T146-Q166 HydrophobicContact CG2-CG 4.29Å; T146-Q166 VanDerWaalsContact CG2-NE2 3.27Å; L164-Q166 PolarHBondContact O-N 3.25Å; Q166-G168 PolarHBondContact O-N 3.12Å; Q166-H170 PolarHBondContact O-NE2 3.29Å
167P98.5Very high98.3Very high65 Ų6542.9 Ų42.942%0.42223%0.231SC..SBendtrans-51.7134.3174.6-27.535.8000112.6T231P167-T231 WeakPolarHBondContact CA-O 3.4Å
168G98.4Very high98.3Very high28 Ų2845.5 Ų45.529%0.28924%0.244SC..EExtended strand (participates in β ladder)trans129.2-159.9-178.100000113.7Q166 E230 T231Q166-G168 PolarHBondContact O-N 3.12Å; G168-E230 VanDerWaalsContact O-CA 3.32Å; G168-E230 WeakPolarHBondContact O-CA 3.32Å; G168-T231 PolarHBondContact N-O 2.85Å; G168-T231 PolarHBondContact O-N 3.05Å
169K98.7Very high98.4Very high100 Ų10041.1 Ų41.144%0.43522%0.224SC..EExtended strand (participates in β ladder)trans-105.7130.4-176.4-65.4-175.5175.1-166.20110.9E2 H3 V229 E230E2-K169 WeakPolarHBondContact CA-O 3.49Å; E2-K169 HydrophobicContact CG-CB 4.39Å; H3-K169 PolarHBondContact N-O 2.99Å; K169-V229 CarbonylContact C-O 3.46Å; K169-E230 WeakPolarHBondContact CE-OE1 3.46Å; K169-E230 WeakPolarHBondContact CE-OE2 3.14Å; K169-E230 HydrophobicContact CG-CB 4.18Å; K169-E230 HydrophobicContact CG-CG 3.94Å; K169-E230 IonicContact NZ-OE1 3.69Å; K169-E230 IonicContact NZ-OE2 3.55Å
170H98.8Very high98.4Very high5 Ų537.2 Ų37.22%0.02321%0.209CC..EExtended strand (participates in β ladder)trans-122.7142.7180-59.9-91.4000110.5H3 L165 Q166 T228 V229H3-H170 AromaticContact CD2-CE1 3.95Å; H3-H170 CarbonylContact O-C 3.55Å; H3-H170 WeakPolarHBondContact O-CA 3.25Å; L165-H170 HydrophobicContact CD2-CB 4.34Å; Q166-H170 PolarHBondContact O-NE2 3.29Å; H170-T228 CarbonylContact O-C 3.58Å; H170-T228 WeakPolarHBondContact O-CA 3.2Å; H170-T228 WeakPolarHBondContact O-CB 3.3Å; H170-V229 HydrophobicContact CB-CB 4.48Å; H170-V229 PolarHBondContact N-O 2.84Å; H170-V229 PolarHBondContact O-N 2.8Å
171R98.8Very high98.4Very high81 Ų8142 Ų4231%0.30623%0.232SC..EExtended strand (participates in β ladder)trans-122.2105.5170.9178.4-178.2-64-81.6-15108.1E2 H3 A4 F5 V226E2-R171 VanDerWaalsContact CD-NE 3.31Å; E2-R171 HydrophobicContact CG-CB 3.97Å; E2-R171 IonicContact OE1-CZ 3.83Å; E2-R171 IonicContact OE1-NE 3.5Å; E2-R171 PolarHBondContact OE1-NE 2.97Å; E2-R171 IonicContact OE1-NH2 3.67Å; E2-R171 PolarHBondContact OE1-NH2 3.28Å; E2-R171 IonicContact OE2-CZ 2.69Å; E2-R171 IonicContact OE2-NE 2.61Å; E2-R171 PolarHBondContact OE2-NE 2.93Å; E2-R171 IonicContact OE2-NH2 3.92Å; E2-R171 PolarHBondContact OE2-NH2 2.81Å; H3-R171 PolarHBondContact O-N 2.87Å; A4-R171 CarbonylContact C-O 3.58Å; A4-R171 WeakPolarHBondContact CA-O 3.44Å; F5-R171 PolarHBondContact N-O 2.84Å; R171-V226 HydrophobicContact CG-CG2 3.68Å
172L98.8Very high98.3Very high0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-97.2116.9178.9-53.4-179.6000109.2F5 P7 Y163 L165 V174 V226 V227 W237F5-L172 HydrophobicContact CB-CD2 4.21Å; F5-L172 HydrophobicContact CD1-CD2 4.41Å; F5-L172 CarbonylContact O-C 3.59Å; F5-L172 VanDerWaalsContact O-CA 3.3Å; F5-L172 WeakPolarHBondContact O-CA 3.26Å; P7-L172 HydrophobicContact CG-CD2 4.47Å; Y163-L172 HydrophobicContact CD1-CD2 4.49Å; Y163-L172 HydrophobicContact CE1-CD2 4.31Å; L165-L172 HydrophobicContact CD2-CD1 4.46Å; L165-L172 HydrophobicContact CD2-CD2 4.29Å; L172-V174 HydrophobicContact CB-CG1 4.43Å; L172-V226 WeakPolarHBondContact O-CA 3.34Å; L172-V227 HydrophobicContact CB-CB 4.31Å; L172-V227 PolarHBondContact N-O 3.05Å; L172-V227 PolarHBondContact O-N 3.33Å; L172-W237 HydrophobicContact CD1-CD2 3.59Å; L172-W237 HydrophobicContact CD1-CE3 3.93Å; L172-W237 HydrophobicContact CD1-CG 3.88Å; L172-W237 HydrophobicContact CD1-CH2 4.49Å; L172-W237 HydrophobicContact CD1-CZ2 4.2Å; L172-W237 HydrophobicContact CD1-CZ3 4.36Å
173H98.5Very high98.3Very high59 Ų5945.5 Ų45.527%0.27324%0.244SC..EExtended strand (participates in β ladder)trans-80.5119.8170.5-73.3-88.6000108.9F5 T6 P7F5-H173 PolarHBondContact O-N 3.44Å; T6-H173 HydrophobicContact CG2-CB 3.98Å; P7-H173 WeakPolarHBondContact CD-O 3.42Å
174V98.6Very high98.3Very high12 Ų1244.4 Ų44.47%0.07324%0.24CC..  trans-125.941.3-174-67.10000110L172 E179 Y221 G225 V227 W237 M239L172-V174 HydrophobicContact CB-CG1 4.43Å; V174-E179 VanDerWaalsContact C-OE1 3.3Å; V174-E179 WeakPolarHBondContact CA-OE1 3.48Å; V174-E179 HydrophobicContact CB-CG 4Å; V174-Y221 HydrophobicContact CB-CD1 4.32Å; V174-Y221 HydrophobicContact CB-CE1 4.07Å; V174-Y221 HydrophobicContact CG1-CE1 4.05Å; V174-Y221 HydrophobicContact CG2-CD1 3.89Å; V174-Y221 HydrophobicContact CG2-CE1 4.11Å; V174-G225 PolarHBondContact N-O 2.88Å; V174-V227 HydrophobicContact CG1-CG2 4.47Å; V174-V227 HydrophobicContact CG2-CG2 3.87Å; V174-W237 HydrophobicContact CG1-CZ2 4.34Å; V174-M239 HydrophobicContact CG1-CE 4.13Å
175D97.9Very high98.4Very high104 Ų10443.9 Ų43.956%0.55624%0.238SC*.  trans-125.122.4-173.761.2-21.4000112.5G177 E179D175-G177 VanDerWaalsContact C-N 3.27Å; D175-G177 PolarHBondContact O-N 2.74Å; D175-E179 PolarHBondContact N-OE1 3.35Å
176T97.3Very high98.4Very high27 Ų2745 Ų4517%0.16624%0.243CC..SBendtrans-74.3-20.3179.269.40000112.7T6 L8 L12 M178 E179T6-T176 HydrophobicContact CG2-CG2 3.45Å; T6-T176 VanDerWaalsContact CG2-CG2 3.45Å; L8-T176 HydrophobicContact CB-CG2 4.45Å; L12-T176 HydrophobicContact CD1-CG2 4.31Å; T176-M178 WeakPolarHBondContact OG1-CB 3.31Å; T176-M178 PolarHBondContact OG1-N 2.82Å; T176-E179 WeakPolarHBondContact CB-OE1 3.24Å; T176-E179 WeakPolarHBondContact CG2-OE1 3.43Å; T176-E179 PolarHBondContact N-OE1 2.98Å; T176-E179 PolarHBondContact N-OE2 2.9Å; T176-E179 VanDerWaalsContact N-OE2 3.1Å; T176-E179 PolarHBondContact OG1-OE1 2.96Å; T176-E179 PolarHBondContact OG1-OE2 3.02Å
177G97.2Very high98.4Very high48 Ų4842.1 Ų42.150%0.49523%0.23SC..SBendtrans84.1-2.7-171.200000113.6D175 E179D175-G177 VanDerWaalsContact C-N 3.27Å; D175-G177 PolarHBondContact O-N 2.74Å; G177-E179 WeakPolarHBondContact CA-OE2 3.34Å; G177-E179 PolarHBondContact N-OE2 2.88Å
178M97.3Very high98.4Very high59 Ų5941.5 Ų41.529%0.29123%0.225SC..  trans-93.3-5.2174.6-59.3-59.3-62.900112.3L8 L11 L12 T176 K242L8-M178 HydrophobicContact CB-CB 4.1Å; L8-M178 VanDerWaalsContact CD1-C 3.49Å; L8-M178 HydrophobicContact CD1-CB 3.93Å; L8-M178 WeakPolarHBondContact CD1-O 3.37Å; L11-M178 HydrophobicContact CB-CE 4.18Å; L11-M178 HydrophobicContact CB-CG 4.29Å; L12-M178 HydrophobicContact CD2-CG 4.12Å; T176-M178 WeakPolarHBondContact OG1-CB 3.31Å; T176-M178 PolarHBondContact OG1-N 2.82Å; M178-K242 WeakPolarHBondContact O-CB 3.12Å; M178-K242 PolarHBondContact O-N 3.07Å
179E98.4Very high98.3Very high27 Ų2742.7 Ų42.713%0.12624%0.238CC..EExtended strand (participates in β ladder)trans-67.9133.5177.4-62.373.3-157.600110.7L8 V174 D175 T176 G177 Y221 M239L8-E179 HydrophobicContact CD1-CB 4.46Å; L8-E179 HydrophobicContact CD1-CG 4.03Å; V174-E179 VanDerWaalsContact C-OE1 3.3Å; V174-E179 WeakPolarHBondContact CA-OE1 3.48Å; V174-E179 HydrophobicContact CB-CG 4Å; D175-E179 PolarHBondContact N-OE1 3.35Å; T176-E179 WeakPolarHBondContact CB-OE1 3.24Å; T176-E179 WeakPolarHBondContact CG2-OE1 3.43Å; T176-E179 PolarHBondContact N-OE1 2.98Å; T176-E179 PolarHBondContact N-OE2 2.9Å; T176-E179 VanDerWaalsContact N-OE2 3.1Å; T176-E179 PolarHBondContact OG1-OE1 2.96Å; T176-E179 PolarHBondContact OG1-OE2 3.02Å; G177-E179 WeakPolarHBondContact CA-OE2 3.34Å; G177-E179 PolarHBondContact N-OE2 2.88Å; E179-Y221 HydrophobicContact CB-CE2 4.46Å; E179-M239 HydrophobicContact CB-CE 4.42Å; E179-M239 HydrophobicContact CG-CE 3.66Å
180G98Very high98.3Very high14 Ų1442.3 Ų42.314%0.14424%0.237CC..EExtended strand (participates in β ladder)trans-81.8-163.616500000111.6Y221 A240G180-Y221 VanDerWaalsContact O-CE2 3.26Å; G180-Y221 WeakPolarHBondContact O-CE2 3.46Å; G180-A240 PolarHBondContact N-O 3.36Å
181D97.7Very high98.3Very high140 Ų14045.1 Ų45.175%0.74926%0.256SS*.EExtended strand (participates in β ladder)trans-90.2-18.4-170.8-70-21.9000114.8T220D181-T220 VanDerWaalsContact O-CB 3.24Å; D181-T220 WeakPolarHBondContact O-CB 3.38Å; D181-T220 PolarHBondContact O-OG1 2.97Å
182W98.6Very high98.3Very high87 Ų8741.2 Ų41.233%0.3324%0.241SC..EExtended strand (participates in β ladder)trans-113.4149.9-173.767.8-99.3000113.3N219 T238 A240W182-N219 WeakPolarHBondContact CA-O 3.32Å; W182-T238 HydrophobicContact CZ3-CG2 3.99Å; W182-T238 WeakPolarHBondContact CZ3-OG1 3.5Å; W182-A240 HydrophobicContact CD2-CB 3.77Å; W182-A240 HydrophobicContact CG-CB 3.78Å; W182-A240 HydrophobicContact CZ2-CB 4.1Å; W182-A240 WeakPolarHBondContact O-CB 3.43Å; W182-A240 PolarHBondContact O-N 2.79Å
183C98.9Very high98.3Very high0 Ų046 Ų460%027%0.265CS..EExtended strand (participates in β ladder)trans-145.4173.9167.960.10000111.5N219 Y221 W237 T238 M239C183-N219 PolarHBondContact N-O 3.47Å; C183-N219 WeakPolarHBondContact O-CA 3.45Å; C183-N219 WeakPolarHBondContact O-CB 3.29Å; C183-N219 PolarHBondContact O-N 3.47Å; C183-Y221 HydrophobicContact CB-CE1 4.04Å; C183-W237 HydrophobicContact CB-CH2 3.53Å; C183-W237 HydrophobicContact CB-CZ2 3.92Å; C183-W237 HydrophobicContact CB-CZ3 4.09Å; C183-T238 CarbonylContact C-O 3.55Å; C183-T238 VanDerWaalsContact CA-O 3.24Å; C183-T238 WeakPolarHBondContact CA-O 3.47Å; C183-T238 WeakPolarHBondContact CB-O 3.47Å; C183-M239 HydrophobicContact CB-CB 4.27Å
184G98.8Very high98.3Very high1 Ų149 Ų491%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-164.6164.2-179.100000114.8S216 T238G184-S216 CarbonylContact C-O 3.57Å; G184-S216 WeakPolarHBondContact CA-O 3.16Å; G184-T238 PolarHBondContact N-O 3.36Å; G184-T238 PolarHBondContact O-N 2.68Å
185L99Very high98.4Very high0 Ų048.4 Ų48.40%028%0.275CS..EExtended strand (participates in β ladder)trans-131114.9176.8-67.7166.8000108.8L165 V195 T197 L200 L204 L209 S216 V229 L235 L236 W237L165-L185 HydrophobicContact CD1-CD2 4.18Å; L185-V195 HydrophobicContact CD1-CG1 4.49Å; L185-T197 HydrophobicContact CD1-CG2 3.78Å; L185-L200 HydrophobicContact CD1-CD1 4.34Å; L185-L204 HydrophobicContact CD1-CD1 3.98Å; L185-L209 HydrophobicContact CB-CD1 3.7Å; L185-L209 HydrophobicContact CD1-CD1 4.37Å; L185-S216 PolarHBondContact N-O 2.81Å; L185-S216 PolarHBondContact O-N 2.9Å; L185-V229 HydrophobicContact CD1-CG1 4.47Å; L185-V229 HydrophobicContact CD2-CG1 4.17Å; L185-V229 HydrophobicContact CD2-CG2 4.22Å; L185-L235 HydrophobicContact CB-CD1 4.16Å; L185-L235 HydrophobicContact CB-CD2 4.1Å; L185-L235 HydrophobicContact CB-CG 4.19Å; L185-L235 HydrophobicContact CD1-CD2 4.29Å; L185-L235 HydrophobicContact CD2-CD2 3.78Å; L185-L235 HydrophobicContact CD2-CG 3.98Å; L185-L235 HydrophobicContact CG-CD2 4.29Å; L185-L236 WeakPolarHBondContact CA-O 3.35Å; L185-W237 HydrophobicContact CD2-CE3 3.82Å; L185-W237 HydrophobicContact CG-CE3 4.39Å
186I98.9Very high98.4Very high24 Ų2445.2 Ų45.212%0.12326%0.26CS..EExtended strand (participates in β ladder)trans-118113-168.4-38.5-62.8000110V188 F211 V215 T217 L236 T238I186-V188 VanDerWaalsContact C-N 3.31Å; I186-V188 HydrophobicContact CB-CG2 4.16Å; I186-V188 HydrophobicContact CG2-CG2 3.82Å; I186-V188 PolarHBondContact O-N 3.44Å; I186-F211 HydrophobicContact CG2-CE2 3.93Å; I186-F211 HydrophobicContact CG2-CZ 3.66Å; I186-V215 HydrophobicContact CD1-CG1 3.69Å; I186-V215 HydrophobicContact CG2-CG1 4.15Å; I186-T217 HydrophobicContact CD1-CG2 3.64Å; I186-L236 HydrophobicContact CB-CB 4.2Å; I186-L236 PolarHBondContact N-O 2.83Å; I186-L236 WeakPolarHBondContact O-CB 3.24Å; I186-L236 PolarHBondContact O-N 3.49Å; I186-T238 HydrophobicContact CD1-CG2 4.25Å; I186-T238 HydrophobicContact CG1-CG2 4.05Å
187P98.8Very high98.5Very high3 Ų344.2 Ų44.22%0.01925%0.254CS..  trans-82.871.1-177.434.2-35.5000110.9L209 F211 V215 L235P187-L209 HydrophobicContact CB-CB 4.14Å; P187-L209 VanDerWaalsContact CB-O 3.31Å; P187-L209 WeakPolarHBondContact CB-O 3.46Å; P187-L209 HydrophobicContact CG-CB 4.04Å; P187-F211 HydrophobicContact CG-CD2 4.19Å; P187-F211 HydrophobicContact CG-CE2 4.4Å; P187-F211 WeakPolarHBondContact O-CD2 3.21Å; P187-F211 WeakPolarHBondContact O-CE2 3.42Å; P187-V215 HydrophobicContact CG-CG2 4.19Å; P187-L235 HydrophobicContact CB-CD1 4.26Å
188V98.5Very high98.6Very high52 Ų5245.2 Ų45.232%0.31525%0.25SC..  trans-67.5-49.2-167.7-178.80000113.5V139 F143 I186 L236V139-V188 HydrophobicContact CG1-CB 4.29Å; V139-V188 HydrophobicContact CG1-CG1 3.85Å; V139-V188 HydrophobicContact CG1-CG2 4.17Å; F143-V188 HydrophobicContact CE2-CB 4.36Å; F143-V188 HydrophobicContact CZ-CB 4.39Å; I186-V188 VanDerWaalsContact C-N 3.31Å; I186-V188 HydrophobicContact CB-CG2 4.16Å; I186-V188 HydrophobicContact CG2-CG2 3.82Å; I186-V188 PolarHBondContact O-N 3.44Å; V188-L236 HydrophobicContact CG2-CB 4.04Å; V188-L236 HydrophobicContact CG2-CD2 3.95Å
189G97.7Very high98.6Very high54 Ų5442.5 Ų42.556%0.55724%0.237SC*.SBendtrans-80.4-37.5-172.200000113.5
190Q98.7Very high98.7Very high92 Ų9241.3 Ų41.343%0.4323%0.232SC..SBendtrans-164.4164.7-178.563.4-171.5-2.900110.5C192 H233Q190-C192 PolarHBondContact O-N 3.21Å; Q190-H233 HydrophobicContact CG-CB 4.17Å; Q190-H233 PolarHBondContact NE2-CE1 3.49Å; Q190-H233 PolarHBondContact NE2-ND1 2.9Å
191P98.8Very high98.7Very high63 Ų6347 Ų4741%0.40925%0.253SS..  trans-51135.4168-28.537.5000112M193 L209 A210 H233P191-M193 HydrophobicContact CB-SD 3.81Å; P191-L209 CarbonylContact C-O 3.55Å; P191-L209 WeakPolarHBondContact CA-O 3.34Å; P191-A210 HydrophobicContact CB-CB 3.78Å; P191-A210 HydrophobicContact CG-CB 3.86Å; P191-H233 PolarHBondContact O-CD2 3.49Å
192C98.9Very high98.7Very high0 Ų047.1 Ų47.10%024%0.243CC..EExtended strand (participates in β ladder)trans-97.1113.2164.7-57.80000106.9Q190 V195 V208 L209 D232Q190-C192 PolarHBondContact O-N 3.21Å; C192-V195 HydrophobicContact CB-CG2 3.54Å; C192-V208 CarbonylContact O-C 3.58Å; C192-V208 WeakPolarHBondContact O-CA 3.36Å; C192-L209 HydrophobicContact CB-CB 4.42Å; C192-L209 PolarHBondContact N-O 3.13Å; C192-L209 PolarHBondContact O-N 2.95Å; C192-D232 WeakPolarHBondContact CA-OD1 3.48Å
193M98.7Very high98.8Very high100 Ų10046.2 Ų46.249%0.49324%0.244SC..EExtended strand (participates in β ladder)trans-84.7-17.6-168.6-57-61-65.300112.4P191 V208 D232P191-M193 HydrophobicContact CB-SD 3.81Å; M193-V208 HydrophobicContact CE-CG2 4.3Å; M193-V208 HydrophobicContact SD-CG1 4.28Å; M193-D232 VanDerWaalsContact CB-OD2 3.29Å; M193-D232 WeakPolarHBondContact CB-OD2 3.24Å; M193-D232 VanDerWaalsContact N-CG 3.33Å; M193-D232 PolarHBondContact N-OD1 3.01Å; M193-D232 PolarHBondContact N-OD2 2.65Å
194Q98.6Very high98.7Very high122 Ų12246.8 Ų46.857%0.5725%0.247SC*.EExtended strand (participates in β ladder)trans-141.290.7-176.7-64.3-177.3-19.900110.1D232Q194-D232 HydrophobicContact CB-CB 4.34Å; Q194-D232 PolarHBondContact N-OD1 2.63Å; Q194-D232 VanDerWaalsContact N-OD1 3.13Å
195V98.9Very high98.7Very high0 Ų051.6 Ų51.60%028%0.276CS..EExtended strand (participates in β ladder)trans-111.8127.6175.4-1700000110.3L185 C192 T197 L204 N206 D207 L209 V229 E230 L235L185-V195 HydrophobicContact CD1-CG1 4.49Å; C192-V195 HydrophobicContact CB-CG2 3.54Å; V195-T197 HydrophobicContact CG1-CG2 4.14Å; V195-L204 HydrophobicContact CB-CD1 3.97Å; V195-L204 HydrophobicContact CG1-CB 4.38Å; V195-L204 HydrophobicContact CG1-CD1 3.47Å; V195-L204 VanDerWaalsContact CG1-CD1 3.47Å; V195-L204 WeakPolarHBondContact O-CB 3.36Å; V195-N206 WeakPolarHBondContact O-CA 3.26Å; V195-N206 PolarHBondContact O-N 2.94Å; V195-N206 VanDerWaalsContact O-N 3.08Å; V195-D207 PolarHBondContact N-O 2.82Å; V195-D207 PolarHBondContact O-N 2.87Å; V195-L209 HydrophobicContact CB-CD1 4.38Å; V195-L209 HydrophobicContact CB-CG 4.33Å; V195-L209 HydrophobicContact CG1-CD1 4.16Å; V195-L209 HydrophobicContact CG2-CB 4.3Å; V195-L209 HydrophobicContact CG2-CD1 4.05Å; V195-L209 HydrophobicContact CG2-CG 3.96Å; V195-V229 HydrophobicContact CG1-CG1 4.47Å; V195-E230 VanDerWaalsContact CA-O 3.31Å; V195-E230 WeakPolarHBondContact CA-O 3.35Å; V195-L235 HydrophobicContact CG1-CD2 3.91Å; V195-L235 HydrophobicContact CG2-CD2 4.14Å
196T98.9Very high98.7Very high37 Ų3756.9 Ų56.923%0.22731%0.305CS..EExtended strand (participates in β ladder)trans-128.7133.8173.9-63.90000109.4L204 N206 E230T196-L204 WeakPolarHBondContact CA-O 3.29Å; T196-N206 PolarHBondContact OG1-N 3.19Å; T196-N206 PolarHBondContact OG1-OD1 3.16Å; T196-E230 PolarHBondContact N-O 2.88Å; T196-E230 PolarHBondContact O-N 2.77Å
197T98.9Very high98.7Very high6 Ų658.9 Ų58.94%0.03732%0.316CS..EExtended strand (participates in β ladder)trans-134.7158.4-178.670.90000113.2L185 V195 L200 N203 L204 T228 V229L185-T197 HydrophobicContact CD1-CG2 3.78Å; V195-T197 HydrophobicContact CG1-CG2 4.14Å; T197-L200 HydrophobicContact CG2-CD1 4.21Å; T197-N203 PolarHBondContact O-OD1 3.18Å; T197-N203 VanDerWaalsContact OG1-CA 3.24Å; T197-N203 WeakPolarHBondContact OG1-CA 3.34Å; T197-N203 PolarHBondContact OG1-OD1 3.45Å; T197-L204 HydrophobicContact CG2-CB 4.24Å; T197-L204 HydrophobicContact CG2-CD1 4.09Å; T197-L204 HydrophobicContact CG2-CG 4.43Å; T197-L204 PolarHBondContact N-O 3.2Å; T197-L204 PolarHBondContact OG1-N 3Å; T197-T228 WeakPolarHBondContact CA-O 3.45Å; T197-T228 VanDerWaalsContact CB-O 3.27Å; T197-T228 WeakPolarHBondContact CB-O 3.35Å; T197-V229 HydrophobicContact CG2-CG1 4.31Å; T197-V229 HydrophobicContact CG2-CG2 4.23Å
198T98.9Very high98.7Very high68 Ų6861.1 Ų61.142%0.41733%0.329SS..EExtended strand (participates in β ladder)trans-132.1164.4163.4710000109.4L200 N203 V227 T228T198-L200 VanDerWaalsContact C-N 3.29Å; T198-L200 PolarHBondContact O-N 3.1Å; T198-N203 WeakPolarHBondContact CA-OD1 3.43Å; T198-N203 PolarHBondContact N-OD1 3.22Å; T198-V227 WeakPolarHBondContact O-CA 3.13Å; T198-T228 WeakPolarHBondContact CB-OG1 3.31Å; T198-T228 WeakPolarHBondContact CG2-OG1 3.49Å; T198-T228 PolarHBondContact N-O 2.83Å; T198-T228 VanDerWaalsContact N-O 3.1Å; T198-T228 PolarHBondContact N-OG1 3.08Å; T198-T228 PolarHBondContact O-N 3.02Å; T198-T228 WeakPolarHBondContact OG1-CB 3.33Å; T198-T228 WeakPolarHBondContact OG1-CG2 3.5Å; T198-T228 PolarHBondContact OG1-OG1 2.78Å
199G98.7Very high98.7Very high2 Ų258.7 Ų58.72%0.02131%0.314CS..SBendtrans86.2-5.2175.800000114.8N203 Y221 D222 V226G199-N203 PolarHBondContact N-OD1 2.91Å; G199-Y221 WeakPolarHBondContact O-CA 3.49Å; G199-D222 VanDerWaalsContact C-CG 3.47Å; G199-D222 VanDerWaalsContact CA-CG 3.47Å; G199-D222 WeakPolarHBondContact CA-OD1 3.3Å; G199-D222 VanDerWaalsContact CA-OD2 3.26Å; G199-D222 WeakPolarHBondContact CA-OD2 3.24Å; G199-D222 PolarHBondContact O-N 2.96Å; G199-V226 VanDerWaalsContact CA-O 3.28Å; G199-V226 WeakPolarHBondContact CA-O 3.39Å
200L98.9Very high98.8Very high3 Ų356.3 Ų56.32%0.01629%0.29CS..BIsolated β-bridgetrans-102.7152.8179.1-54.7179.7000111.3L185 T197 T198 W202 N203 T220 V227 W237L185-L200 HydrophobicContact CD1-CD1 4.34Å; T197-L200 HydrophobicContact CG2-CD1 4.21Å; T198-L200 VanDerWaalsContact C-N 3.29Å; T198-L200 PolarHBondContact O-N 3.1Å; L200-W202 VanDerWaalsContact C-N 3.33Å; L200-N203 WeakPolarHBondContact CB-OD1 3.3Å; L200-N203 PolarHBondContact N-OD1 2.6Å; L200-N203 VanDerWaalsContact N-OD1 3.09Å; L200-N203 VanDerWaalsContact O-CG 3.26Å; L200-N203 PolarHBondContact O-ND2 3.06Å; L200-N203 PolarHBondContact O-OD1 3.45Å; L200-T220 CarbonylContact C-O 3.55Å; L200-T220 WeakPolarHBondContact CA-O 3.33Å; L200-V227 HydrophobicContact CD2-CB 4.44Å; L200-V227 HydrophobicContact CD2-CG1 3.88Å; L200-V227 HydrophobicContact CD2-CG2 3.62Å; L200-V227 HydrophobicContact CG-CG1 4.11Å; L200-V227 HydrophobicContact CG-CG2 4.41Å; L200-W237 HydrophobicContact CD2-CH2 4.32Å; L200-W237 HydrophobicContact CD2-CZ3 4.35Å
201K98.7Very high98.7Very high134 Ų13458.4 Ų58.458%0.58330%0.297SS*.SBendtrans-64.3-40.4172.1179.1173.9178.5-179.90111.5T220K201-T220 HydrophobicContact CB-CG2 3.53Å; K201-T220 HydrophobicContact CD-CG2 3.49Å; K201-T220 VanDerWaalsContact CD-CG2 3.49Å; K201-T220 HydrophobicContact CG-CG2 4.16Å; K201-T220 PolarHBondContact N-O 2.9Å
202W98.8Very high98.7Very high142 Ų14259.6 Ų59.654%0.53832%0.322SS..SBendtrans-110.883.5172-60.9-85.5000108.5L200 S218 N219 T220L200-W202 VanDerWaalsContact C-N 3.33Å; W202-S218 WeakPolarHBondContact CZ3-O 3.39Å; W202-N219 HydrophobicContact CE3-CB 4.32Å; W202-N219 PolarHBondContact N-OD1 2.97Å; W202-N219 PolarHBondContact O-ND2 3.09Å; W202-T220 HydrophobicContact CZ3-CG2 4.15Å
203N98.8Very high98.7Very high68 Ų6864.7 Ų64.736%0.36435%0.353SS..  trans-72.2153.6174.2-75.5-52.4000111.7T197 T198 G199 L200T197-N203 PolarHBondContact O-OD1 3.18Å; T197-N203 VanDerWaalsContact OG1-CA 3.24Å; T197-N203 WeakPolarHBondContact OG1-CA 3.34Å; T197-N203 PolarHBondContact OG1-OD1 3.45Å; T198-N203 WeakPolarHBondContact CA-OD1 3.43Å; T198-N203 PolarHBondContact N-OD1 3.22Å; G199-N203 PolarHBondContact N-OD1 2.91Å; L200-N203 WeakPolarHBondContact CB-OD1 3.3Å; L200-N203 PolarHBondContact N-OD1 2.6Å; L200-N203 VanDerWaalsContact N-OD1 3.09Å; L200-N203 VanDerWaalsContact O-CG 3.26Å; L200-N203 PolarHBondContact O-ND2 3.06Å; L200-N203 PolarHBondContact O-OD1 3.45Å
204L98.8Very high98.7Very high12 Ų1263.7 Ų63.76%0.06335%0.349CS..  trans-104.4144.2175.5-59.7165.3000109.5L185 V195 T196 T197 D207 L209 L214L185-L204 HydrophobicContact CD1-CD1 3.98Å; V195-L204 HydrophobicContact CB-CD1 3.97Å; V195-L204 HydrophobicContact CG1-CB 4.38Å; V195-L204 HydrophobicContact CG1-CD1 3.47Å; V195-L204 VanDerWaalsContact CG1-CD1 3.47Å; V195-L204 WeakPolarHBondContact O-CB 3.36Å; T196-L204 WeakPolarHBondContact CA-O 3.29Å; T197-L204 HydrophobicContact CG2-CB 4.24Å; T197-L204 HydrophobicContact CG2-CD1 4.09Å; T197-L204 HydrophobicContact CG2-CG 4.43Å; T197-L204 PolarHBondContact N-O 3.2Å; T197-L204 PolarHBondContact OG1-N 3Å; L204-D207 VanDerWaalsContact CA-OD2 3.3Å; L204-D207 WeakPolarHBondContact CA-OD2 3.32Å; L204-D207 HydrophobicContact CB-CB 4.17Å; L204-D207 HydrophobicContact CD2-CB 3.84Å; L204-L209 HydrophobicContact CD1-CD1 3.72Å; L204-L209 HydrophobicContact CD1-CD2 3.95Å; L204-L209 HydrophobicContact CD1-CG 3.97Å; L204-L209 HydrophobicContact CD2-CD2 4.17Å; L204-L214 HydrophobicContact CD2-CD2 4.08Å
205T98.6Very high98.7Very high101 Ų10159.7 Ų59.762%0.6233%0.333SS*.SBendtrans-134.392.5176.9-56.80000110.3D207T205-D207 PolarHBondContact N-OD2 2.94Å; T205-D207 PolarHBondContact O-N 2.72Å
206N98.2Very high98.7Very high112 Ų11260.3 Ų60.360%0.59934%0.337SS*.SBendtrans52.937.2-171.6-58.5-54000112.9V195 T196V195-N206 WeakPolarHBondContact O-CA 3.26Å; V195-N206 PolarHBondContact O-N 2.94Å; V195-N206 VanDerWaalsContact O-N 3.08Å; T196-N206 PolarHBondContact OG1-N 3.19Å; T196-N206 PolarHBondContact OG1-OD1 3.16Å
207D98.7Very high98.6Very high66 Ų6663 Ų6335%0.35335%0.353SS..EExtended strand (participates in β ladder)trans-86.6160.6-179.7-71.1-57.8000111.8V195 L204 T205V195-D207 PolarHBondContact N-O 2.82Å; V195-D207 PolarHBondContact O-N 2.87Å; L204-D207 VanDerWaalsContact CA-OD2 3.3Å; L204-D207 WeakPolarHBondContact CA-OD2 3.32Å; L204-D207 HydrophobicContact CB-CB 4.17Å; L204-D207 HydrophobicContact CD2-CB 3.84Å; T205-D207 PolarHBondContact N-OD2 2.94Å; T205-D207 PolarHBondContact O-N 2.72Å
208V98.8Very high98.6Very high50 Ų5067.3 Ų67.330%0.30338%0.384SS..EExtended strand (participates in β ladder)trans-93.6127.2173.9176.20000109.4C192 M193 A210 T213C192-V208 CarbonylContact O-C 3.58Å; C192-V208 WeakPolarHBondContact O-CA 3.36Å; M193-V208 HydrophobicContact CE-CG2 4.3Å; M193-V208 HydrophobicContact SD-CG1 4.28Å; V208-A210 HydrophobicContact CG1-CB 4.42Å; V208-T213 HydrophobicContact CG1-CG2 4.38Å
209L98.9Very high98.6Very high0 Ų064.2 Ų64.20%037%0.365CS..EExtended strand (participates in β ladder)trans-107119.9165.6-65.2-173.4000109.8L185 P187 P191 C192 V195 L204 L214 L235L185-L209 HydrophobicContact CB-CD1 3.7Å; L185-L209 HydrophobicContact CD1-CD1 4.37Å; P187-L209 HydrophobicContact CB-CB 4.14Å; P187-L209 VanDerWaalsContact CB-O 3.31Å; P187-L209 WeakPolarHBondContact CB-O 3.46Å; P187-L209 HydrophobicContact CG-CB 4.04Å; P191-L209 CarbonylContact C-O 3.55Å; P191-L209 WeakPolarHBondContact CA-O 3.34Å; C192-L209 HydrophobicContact CB-CB 4.42Å; C192-L209 PolarHBondContact N-O 3.13Å; C192-L209 PolarHBondContact O-N 2.95Å; V195-L209 HydrophobicContact CB-CD1 4.38Å; V195-L209 HydrophobicContact CB-CG 4.33Å; V195-L209 HydrophobicContact CG1-CD1 4.16Å; V195-L209 HydrophobicContact CG2-CB 4.3Å; V195-L209 HydrophobicContact CG2-CD1 4.05Å; V195-L209 HydrophobicContact CG2-CG 3.96Å; L204-L209 HydrophobicContact CD1-CD1 3.72Å; L204-L209 HydrophobicContact CD1-CD2 3.95Å; L204-L209 HydrophobicContact CD1-CG 3.97Å; L204-L209 HydrophobicContact CD2-CD2 4.17Å; L209-L214 CarbonylContact C-O 3.53Å; L209-L214 WeakPolarHBondContact CA-O 3.47Å; L209-L214 HydrophobicContact CD2-CB 4.29Å; L209-L214 HydrophobicContact CD2-CD2 3.87Å; L209-L214 HydrophobicContact CD2-CG 3.78Å; L209-L235 HydrophobicContact CD1-CD1 3.9Å; L209-L235 HydrophobicContact CD1-CD2 4.04Å
210A98.8Very high98.6Very high5 Ų566 Ų664%0.04138%0.375CS..BIsolated β-bridgetrans-154.5146.5174.500000111.2P191 V208 G212 T213 L214P191-A210 HydrophobicContact CB-CB 3.78Å; P191-A210 HydrophobicContact CG-CB 3.86Å; V208-A210 HydrophobicContact CG1-CB 4.42Å; A210-G212 PolarHBondContact O-N 3.14Å; A210-T213 PolarHBondContact O-N 2.75Å; A210-L214 PolarHBondContact N-O 3.36Å; A210-L214 CarbonylContact O-C 3.59Å; A210-L214 PolarHBondContact O-N 3.45Å; A210-L214 VanDerWaalsContact O-O 3.11Å
211F98.5Very high98.6Very high135 Ų13567.8 Ų67.859%0.59238%0.382SS*.THydrogen-bonded Turntrans-57.8128.9166.3-78.8-91.1000110I186 P187 T213 V215I186-F211 HydrophobicContact CG2-CE2 3.93Å; I186-F211 HydrophobicContact CG2-CZ 3.66Å; P187-F211 HydrophobicContact CG-CD2 4.19Å; P187-F211 HydrophobicContact CG-CE2 4.4Å; P187-F211 WeakPolarHBondContact O-CD2 3.21Å; P187-F211 WeakPolarHBondContact O-CE2 3.42Å; F211-T213 VanDerWaalsContact C-N 3.32Å; F211-V215 HydrophobicContact CD1-CG2 4.34Å; F211-V215 HydrophobicContact CG-CG2 4.35Å
212G98Very high98.6Very high89 Ų8965.5 Ų65.592%0.91838%0.376SS*.THydrogen-bonded Turntrans86.1-7.1-173.800000115.2A210A210-G212 PolarHBondContact O-N 3.14Å
213T98.1Very high98.5Very high106 Ų10662.1 Ų62.165%0.6539%0.386SS*.THydrogen-bonded Turntrans-114.4-72.9174.1-57.10000110.7V208 A210 F211V208-T213 HydrophobicContact CG1-CG2 4.38Å; A210-T213 PolarHBondContact O-N 2.75Å; F211-T213 VanDerWaalsContact C-N 3.32Å
214L98.6Very high98.5Very high79 Ų7962.1 Ų62.141%0.41439%0.391SS..BIsolated β-bridgetrans-153.3130.1-179.5177.963.4000108.7L204 L209 A210L204-L214 HydrophobicContact CD2-CD2 4.08Å; L209-L214 CarbonylContact C-O 3.53Å; L209-L214 WeakPolarHBondContact CA-O 3.47Å; L209-L214 HydrophobicContact CD2-CB 4.29Å; L209-L214 HydrophobicContact CD2-CD2 3.87Å; L209-L214 HydrophobicContact CD2-CG 3.78Å; A210-L214 PolarHBondContact N-O 3.36Å; A210-L214 CarbonylContact O-C 3.59Å; A210-L214 PolarHBondContact O-N 3.45Å; A210-L214 VanDerWaalsContact O-O 3.11Å
215V98.8Very high98.5Very high38 Ų3862.3 Ų62.323%0.2340%0.396CS..  trans-131.1124.4171.7-177.70000106.9I186 P187 F211 T217I186-V215 HydrophobicContact CD1-CG1 3.69Å; I186-V215 HydrophobicContact CG2-CG1 4.15Å; P187-V215 HydrophobicContact CG-CG2 4.19Å; F211-V215 HydrophobicContact CD1-CG2 4.34Å; F211-V215 HydrophobicContact CG-CG2 4.35Å; V215-T217 HydrophobicContact CG1-CG2 4.03Å; V215-T217 PolarHBondContact O-N 3.48Å; V215-T217 VanDerWaalsContact O-N 3.09Å
216S98.8Very high98.5Very high13 Ų1359.1 Ų59.19%0.09138%0.376CS..EExtended strand (participates in β ladder)trans-78.995.9-179.8-177.80000108.6G184 L185 N219G184-S216 CarbonylContact C-O 3.57Å; G184-S216 WeakPolarHBondContact CA-O 3.16Å; L185-S216 PolarHBondContact N-O 2.81Å; L185-S216 PolarHBondContact O-N 2.9Å; S216-N219 PolarHBondContact OG-ND2 2.86Å
217T98.3Very high98.5Very high93 Ų9353.8 Ų53.857%0.57135%0.348SS*.EExtended strand (participates in β ladder)trans-120.1152.817152.90000108.9I186 V215 N219I186-T217 HydrophobicContact CD1-CG2 3.64Å; V215-T217 HydrophobicContact CG1-CG2 4.03Å; V215-T217 PolarHBondContact O-N 3.48Å; V215-T217 VanDerWaalsContact O-N 3.09Å; T217-N219 PolarHBondContact O-N 2.83Å
218S98.1Very high98.5Very high97 Ų9751.9 Ų51.968%0.67834%0.339SS*.EExtended strand (participates in β ladder)trans55.929.8-174.8-54.70000113.6W202W202-S218 WeakPolarHBondContact CZ3-O 3.39Å
219N98.7Very high98.5Very high4 Ų449.6 Ų49.62%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-73170167.6-151.7-34.6000109W182 C183 W202 S216 T217W182-N219 WeakPolarHBondContact CA-O 3.32Å; C183-N219 PolarHBondContact N-O 3.47Å; C183-N219 WeakPolarHBondContact O-CA 3.45Å; C183-N219 WeakPolarHBondContact O-CB 3.29Å; C183-N219 PolarHBondContact O-N 3.47Å; W202-N219 HydrophobicContact CE3-CB 4.32Å; W202-N219 PolarHBondContact N-OD1 2.97Å; W202-N219 PolarHBondContact O-ND2 3.09Å; S216-N219 PolarHBondContact OG-ND2 2.86Å; T217-N219 PolarHBondContact O-N 2.83Å
220T98.7Very high98.5Very high38 Ų3853.5 Ų53.523%0.23334%0.343CS..  trans-150173.5177.5-169.80000109.5D181 L200 K201 W202D181-T220 VanDerWaalsContact O-CB 3.24Å; D181-T220 WeakPolarHBondContact O-CB 3.38Å; D181-T220 PolarHBondContact O-OG1 2.97Å; L200-T220 CarbonylContact C-O 3.55Å; L200-T220 WeakPolarHBondContact CA-O 3.33Å; K201-T220 HydrophobicContact CB-CG2 3.53Å; K201-T220 HydrophobicContact CD-CG2 3.49Å; K201-T220 VanDerWaalsContact CD-CG2 3.49Å; K201-T220 HydrophobicContact CG-CG2 4.16Å; K201-T220 PolarHBondContact N-O 2.9Å; W202-T220 HydrophobicContact CZ3-CG2 4.15Å
221Y98.7Very high98.5Very high41 Ų4153.4 Ų53.416%0.16134%0.342CS..BIsolated β-bridgetrans-85.3152.7-175.2-45.3-78.6000111.5V174 E179 G180 C183 G199 G223 V227 W237V174-Y221 HydrophobicContact CB-CD1 4.32Å; V174-Y221 HydrophobicContact CB-CE1 4.07Å; V174-Y221 HydrophobicContact CG1-CE1 4.05Å; V174-Y221 HydrophobicContact CG2-CD1 3.89Å; V174-Y221 HydrophobicContact CG2-CE1 4.11Å; E179-Y221 HydrophobicContact CB-CE2 4.46Å; G180-Y221 VanDerWaalsContact O-CE2 3.26Å; G180-Y221 WeakPolarHBondContact O-CE2 3.46Å; C183-Y221 HydrophobicContact CB-CE1 4.04Å; G199-Y221 WeakPolarHBondContact O-CA 3.49Å; Y221-G223 VanDerWaalsContact C-N 3.31Å; Y221-V227 HydrophobicContact CD1-CG2 4.03Å; Y221-V227 HydrophobicContact CE1-CG2 4.42Å; Y221-W237 HydrophobicContact CE1-CH2 4.15Å; Y221-W237 HydrophobicContact CE1-CZ2 4.29Å
222D98.4Very high98.5Very high86 Ų8649.1 Ų49.146%0.4633%0.325SS..  trans-85.3-3.9173.772-1.2000113.8G199 S224G199-D222 VanDerWaalsContact C-CG 3.47Å; G199-D222 VanDerWaalsContact CA-CG 3.47Å; G199-D222 WeakPolarHBondContact CA-OD1 3.3Å; G199-D222 VanDerWaalsContact CA-OD2 3.26Å; G199-D222 WeakPolarHBondContact CA-OD2 3.24Å; G199-D222 PolarHBondContact O-N 2.96Å; D222-S224 WeakPolarHBondContact OD1-CB 3.27Å; D222-S224 PolarHBondContact OD1-N 3.03Å; D222-S224 PolarHBondContact OD1-OG 3.1Å
223G98Very high98.6Very high72 Ų7247.7 Ų47.774%0.74230%0.295SS*.SBendtrans89.13.6-178.800000115.1Y221 G225Y221-G223 VanDerWaalsContact C-N 3.31Å; G223-G225 VanDerWaalsContact C-N 3.26Å; G223-G225 PolarHBondContact O-N 2.84Å
224S98Very high98.6Very high67 Ų6743.7 Ų43.747%0.46927%0.27SS..SBendtrans-72-15.3177.2610000114.6D222 V226D222-S224 WeakPolarHBondContact OD1-CB 3.27Å; D222-S224 PolarHBondContact OD1-N 3.03Å; D222-S224 PolarHBondContact OD1-OG 3.1Å; S224-V226 PolarHBondContact O-N 2.76Å; S224-V226 PolarHBondContact OG-O 2.91Å; S224-V226 VanDerWaalsContact OG-O 3.13Å
225G98.4Very high98.6Very high16 Ų1640 Ų4017%0.16525%0.251CS..SBendtrans77.5-0-175.900000114.5V174 G223V174-G225 PolarHBondContact N-O 2.88Å; G223-G225 VanDerWaalsContact C-N 3.26Å; G223-G225 PolarHBondContact O-N 2.84Å
226V98.8Very high98.6Very high34 Ų3438.6 Ų38.621%0.20624%0.242CC..EExtended strand (participates in β ladder)trans-138.3129.1-179.361.40000111.3R171 L172 G199 S224R171-V226 HydrophobicContact CG-CG2 3.68Å; L172-V226 WeakPolarHBondContact O-CA 3.34Å; G199-V226 VanDerWaalsContact CA-O 3.28Å; G199-V226 WeakPolarHBondContact CA-O 3.39Å; S224-V226 PolarHBondContact O-N 2.76Å; S224-V226 PolarHBondContact OG-O 2.91Å; S224-V226 VanDerWaalsContact OG-O 3.13Å
227V98.9Very high98.6Very high0 Ų038 Ų380%024%0.238CC..EExtended strand (participates in β ladder)trans-107.7132.5171.6172.20000108.4L172 V174 T198 L200 Y221 V229 W237L172-V227 HydrophobicContact CB-CB 4.31Å; L172-V227 PolarHBondContact N-O 3.05Å; L172-V227 PolarHBondContact O-N 3.33Å; V174-V227 HydrophobicContact CG1-CG2 4.47Å; V174-V227 HydrophobicContact CG2-CG2 3.87Å; T198-V227 WeakPolarHBondContact O-CA 3.13Å; L200-V227 HydrophobicContact CD2-CB 4.44Å; L200-V227 HydrophobicContact CD2-CG1 3.88Å; L200-V227 HydrophobicContact CD2-CG2 3.62Å; L200-V227 HydrophobicContact CG-CG1 4.11Å; L200-V227 HydrophobicContact CG-CG2 4.41Å; Y221-V227 HydrophobicContact CD1-CG2 4.03Å; Y221-V227 HydrophobicContact CE1-CG2 4.42Å; V227-V229 HydrophobicContact CG1-CG2 3.94Å; V227-W237 HydrophobicContact CB-CH2 4.5Å; V227-W237 HydrophobicContact CG1-CH2 4.17Å; V227-W237 HydrophobicContact CG1-CZ3 4.05Å; V227-W237 HydrophobicContact CG2-CH2 4.3Å
228T98.9Very high98.7Very high27 Ų2734.5 Ų34.517%0.16622%0.216CC..EExtended strand (participates in β ladder)trans-110.4143.7167.172.10000109.8H170 T197 T198H170-T228 CarbonylContact O-C 3.58Å; H170-T228 WeakPolarHBondContact O-CA 3.2Å; H170-T228 WeakPolarHBondContact O-CB 3.3Å; T197-T228 WeakPolarHBondContact CA-O 3.45Å; T197-T228 VanDerWaalsContact CB-O 3.27Å; T197-T228 WeakPolarHBondContact CB-O 3.35Å; T198-T228 WeakPolarHBondContact CB-OG1 3.31Å; T198-T228 WeakPolarHBondContact CG2-OG1 3.49Å; T198-T228 PolarHBondContact N-O 2.83Å; T198-T228 VanDerWaalsContact N-O 3.1Å; T198-T228 PolarHBondContact N-OG1 3.08Å; T198-T228 PolarHBondContact O-N 3.02Å; T198-T228 WeakPolarHBondContact OG1-CB 3.33Å; T198-T228 WeakPolarHBondContact OG1-CG2 3.5Å; T198-T228 PolarHBondContact OG1-OG1 2.78Å
229V98.9Very high98.7Very high2 Ų229.9 Ų29.91%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-136.8120.8177-174.60000108.4L165 K169 H170 L185 V195 T197 V227 L235L165-V229 HydrophobicContact CD1-CB 3.82Å; L165-V229 HydrophobicContact CD1-CG1 3.72Å; L165-V229 HydrophobicContact CD1-CG2 4Å; K169-V229 CarbonylContact C-O 3.46Å; H170-V229 HydrophobicContact CB-CB 4.48Å; H170-V229 PolarHBondContact N-O 2.84Å; H170-V229 PolarHBondContact O-N 2.8Å; L185-V229 HydrophobicContact CD1-CG1 4.47Å; L185-V229 HydrophobicContact CD2-CG1 4.17Å; L185-V229 HydrophobicContact CD2-CG2 4.22Å; V195-V229 HydrophobicContact CG1-CG1 4.47Å; T197-V229 HydrophobicContact CG2-CG1 4.31Å; T197-V229 HydrophobicContact CG2-CG2 4.23Å; V227-V229 HydrophobicContact CG1-CG2 3.94Å; V229-L235 HydrophobicContact CG1-CD2 4.09Å
230E98.9Very high98.7Very high81 Ų8129.8 Ų29.838%0.37918%0.184SC..EExtended strand (participates in β ladder)trans-106.9128.3165.8-178.1165.7-155.600108.5G168 K169 V195 T196G168-E230 VanDerWaalsContact O-CA 3.32Å; G168-E230 WeakPolarHBondContact O-CA 3.32Å; K169-E230 WeakPolarHBondContact CE-OE1 3.46Å; K169-E230 WeakPolarHBondContact CE-OE2 3.14Å; K169-E230 HydrophobicContact CG-CB 4.18Å; K169-E230 HydrophobicContact CG-CG 3.94Å; K169-E230 IonicContact NZ-OE1 3.69Å; K169-E230 IonicContact NZ-OE2 3.55Å; V195-E230 VanDerWaalsContact CA-O 3.31Å; V195-E230 WeakPolarHBondContact CA-O 3.35Å; T196-E230 PolarHBondContact N-O 2.88Å; T196-E230 PolarHBondContact O-N 2.77Å
231T98.8Very high98.7Very high4 Ų428.3 Ų28.33%0.02517%0.174CC..EExtended strand (participates in β ladder)trans-141.6143.9-178.9-175.40000111.4P167 G168 H233 L235P167-T231 WeakPolarHBondContact CA-O 3.4Å; G168-T231 PolarHBondContact N-O 2.85Å; G168-T231 PolarHBondContact O-N 3.05Å; T231-H233 WeakPolarHBondContact CG2-O 3.15Å; T231-H233 PolarHBondContact OG1-N 3.4Å; T231-H233 PolarHBondContact OG1-O 3.38Å; T231-L235 HydrophobicContact CG2-CB 4.06Å
232D98.6Very high98.4Very high44 Ų4432.5 Ų32.524%0.23519%0.194CC..SBendtrans-83.8-21.9176.961-38.8000113.3C192 M193 Q194C192-D232 WeakPolarHBondContact CA-OD1 3.48Å; M193-D232 VanDerWaalsContact CB-OD2 3.29Å; M193-D232 WeakPolarHBondContact CB-OD2 3.24Å; M193-D232 VanDerWaalsContact N-CG 3.33Å; M193-D232 PolarHBondContact N-OD1 3.01Å; M193-D232 PolarHBondContact N-OD2 2.65Å; Q194-D232 HydrophobicContact CB-CB 4.34Å; Q194-D232 PolarHBondContact N-OD1 2.63Å; Q194-D232 VanDerWaalsContact N-OD1 3.13Å
233H98.7Very high97.5Very high60 Ų6035.8 Ų35.828%0.27822%0.223SC..SBendtrans-132.9163.4-178.8-70-44.2000111.7Q190 P191 T231 L235Q190-H233 HydrophobicContact CG-CB 4.17Å; Q190-H233 PolarHBondContact NE2-CE1 3.49Å; Q190-H233 PolarHBondContact NE2-ND1 2.9Å; P191-H233 PolarHBondContact O-CD2 3.49Å; T231-H233 WeakPolarHBondContact CG2-O 3.15Å; T231-H233 PolarHBondContact OG1-N 3.4Å; T231-H233 PolarHBondContact OG1-O 3.38Å; H233-L235 PolarHBondContact O-N 2.98Å
234P98.8Very high97.4Very high22 Ų2234 Ų3414%0.14320%0.197CC..  trans-56.2124.3176-24.733.6000111.8F143 L164 L165F143-P234 HydrophobicContact CD1-CB 4.36Å; F143-P234 HydrophobicContact CE1-CB 3.67Å; F143-P234 HydrophobicContact CE1-CG 4.2Å; F143-P234 HydrophobicContact CZ-CB 4.22Å; L164-P234 HydrophobicContact CD1-CB 4.05Å; L164-P234 HydrophobicContact CD2-CB 4.46Å; L164-P234 HydrophobicContact CG-CB 4.37Å; L165-P234 CarbonylContact O-C 3.57Å; L165-P234 VanDerWaalsContact O-CA 3.24Å; L165-P234 WeakPolarHBondContact O-CA 3.26Å
235L98.9Very high97.4Very high0 Ų032.2 Ų32.20%018%0.183CC..EExtended strand (participates in β ladder)trans-127.3122.2-173.9-176.558.5000109.6L165 L185 P187 V195 L209 V229 T231 H233 W237L165-L235 VanDerWaalsContact CB-O 3.24Å; L165-L235 WeakPolarHBondContact CB-O 3.28Å; L165-L235 WeakPolarHBondContact CG-O 3.36Å; L165-L235 PolarHBondContact N-O 3.38Å; L165-L235 PolarHBondContact O-N 3.3Å; L185-L235 HydrophobicContact CB-CD1 4.16Å; L185-L235 HydrophobicContact CB-CD2 4.1Å; L185-L235 HydrophobicContact CB-CG 4.19Å; L185-L235 HydrophobicContact CD1-CD2 4.29Å; L185-L235 HydrophobicContact CD2-CD2 3.78Å; L185-L235 HydrophobicContact CD2-CG 3.98Å; L185-L235 HydrophobicContact CG-CD2 4.29Å; P187-L235 HydrophobicContact CB-CD1 4.26Å; V195-L235 HydrophobicContact CG1-CD2 3.91Å; V195-L235 HydrophobicContact CG2-CD2 4.14Å; L209-L235 HydrophobicContact CD1-CD1 3.9Å; L209-L235 HydrophobicContact CD1-CD2 4.04Å; V229-L235 HydrophobicContact CG1-CD2 4.09Å; T231-L235 HydrophobicContact CG2-CB 4.06Å; H233-L235 PolarHBondContact O-N 2.98Å; L235-W237 PolarHBondContact O-N 3.13Å
236L98.9Very high97.4Very high10 Ų1033.1 Ų33.15%0.05218%0.184CC..EExtended strand (participates in β ladder)trans-80112.5-177.4-168.574.6000109.5V139 L142 I162 L164 L185 I186 V188V139-L236 HydrophobicContact CG1-CD2 4.15Å; V139-L236 HydrophobicContact CG2-CD2 4.25Å; L142-L236 HydrophobicContact CD1-CD1 3.9Å; I162-L236 HydrophobicContact CB-CD1 4.2Å; I162-L236 HydrophobicContact CB-CD2 4.35Å; I162-L236 HydrophobicContact CB-CG 4.33Å; I162-L236 HydrophobicContact CD1-CD1 4.33Å; I162-L236 HydrophobicContact CD1-CD2 4.31Å; I162-L236 HydrophobicContact CG2-CD2 4.33Å; L164-L236 HydrophobicContact CB-CD1 4.2Å; L164-L236 HydrophobicContact CD1-CB 4.34Å; L164-L236 HydrophobicContact CD1-CD1 4.12Å; L185-L236 WeakPolarHBondContact CA-O 3.35Å; I186-L236 HydrophobicContact CB-CB 4.2Å; I186-L236 PolarHBondContact N-O 2.83Å; I186-L236 WeakPolarHBondContact O-CB 3.24Å; I186-L236 PolarHBondContact O-N 3.49Å; V188-L236 HydrophobicContact CG2-CB 4.04Å; V188-L236 HydrophobicContact CG2-CD2 3.95Å
237W98.9Very high97.3Very high0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-75.7137.1166.2170.1-101000109.6I162 Y163 L165 L172 V174 C183 L185 L200 Y221 V227 L235 M239I162-W237 WeakPolarHBondContact CA-O 3.12Å; Y163-W237 PolarHBondContact N-O 2.96Å; Y163-W237 WeakPolarHBondContact O-CB 3.48Å; Y163-W237 PolarHBondContact O-N 3.48Å; L165-W237 HydrophobicContact CD1-CB 4.08Å; L165-W237 HydrophobicContact CD2-CB 4.28Å; L165-W237 HydrophobicContact CG-CB 3.99Å; L172-W237 HydrophobicContact CD1-CD2 3.59Å; L172-W237 HydrophobicContact CD1-CE3 3.93Å; L172-W237 HydrophobicContact CD1-CG 3.88Å; L172-W237 HydrophobicContact CD1-CH2 4.49Å; L172-W237 HydrophobicContact CD1-CZ2 4.2Å; L172-W237 HydrophobicContact CD1-CZ3 4.36Å; V174-W237 HydrophobicContact CG1-CZ2 4.34Å; C183-W237 HydrophobicContact CB-CH2 3.53Å; C183-W237 HydrophobicContact CB-CZ2 3.92Å; C183-W237 HydrophobicContact CB-CZ3 4.09Å; L185-W237 HydrophobicContact CD2-CE3 3.82Å; L185-W237 HydrophobicContact CG-CE3 4.39Å; L200-W237 HydrophobicContact CD2-CH2 4.32Å; L200-W237 HydrophobicContact CD2-CZ3 4.35Å; Y221-W237 HydrophobicContact CE1-CH2 4.15Å; Y221-W237 HydrophobicContact CE1-CZ2 4.29Å; V227-W237 HydrophobicContact CB-CH2 4.5Å; V227-W237 HydrophobicContact CG1-CH2 4.17Å; V227-W237 HydrophobicContact CG1-CZ3 4.05Å; V227-W237 HydrophobicContact CG2-CH2 4.3Å; L235-W237 PolarHBondContact O-N 3.13Å; W237-M239 HydrophobicContact CZ2-CB 3.87Å; W237-M239 HydrophobicContact CZ2-SD 4.18Å; W237-M239 PolarHBondContact NE1-SD 3.21Å
238T98.9Very high97.2Very high19 Ų1935.1 Ų35.112%0.11719%0.194CC..EExtended strand (participates in β ladder)trans-135144.6169.8-174.60000110.7L161 W182 C183 G184 I186L161-T238 VanDerWaalsContact O-CA 3.23Å; L161-T238 WeakPolarHBondContact O-CA 3.13Å; L161-T238 PolarHBondContact O-OG1 2.86Å; W182-T238 HydrophobicContact CZ3-CG2 3.99Å; W182-T238 WeakPolarHBondContact CZ3-OG1 3.5Å; C183-T238 CarbonylContact C-O 3.55Å; C183-T238 VanDerWaalsContact CA-O 3.24Å; C183-T238 WeakPolarHBondContact CA-O 3.47Å; C183-T238 WeakPolarHBondContact CB-O 3.47Å; G184-T238 PolarHBondContact N-O 3.36Å; G184-T238 PolarHBondContact O-N 2.68Å; I186-T238 HydrophobicContact CD1-CG2 4.25Å; I186-T238 HydrophobicContact CG1-CG2 4.05Å
239M98.9Very high97.1Very high0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-149.2155.4-179.765-172.3-61.700112.5P7 L8 L161 V174 E179 C183 W237P7-M239 HydrophobicContact CB-SD 3.6Å; P7-M239 VanDerWaalsContact CB-SD 3.6Å; P7-M239 HydrophobicContact CG-SD 3.92Å; L8-M239 HydrophobicContact CD1-CE 3.64Å; L8-M239 HydrophobicContact CD1-SD 4.5Å; L8-M239 HydrophobicContact CD2-SD 4.48Å; L8-M239 HydrophobicContact CG-CE 3.85Å; L8-M239 HydrophobicContact CG-SD 4.17Å; L161-M239 HydrophobicContact CB-CG 3.94Å; L161-M239 HydrophobicContact CD2-CG 4.03Å; L161-M239 HydrophobicContact CD2-SD 4.24Å; L161-M239 HydrophobicContact CG-CG 4.48Å; L161-M239 PolarHBondContact N-O 3.18Å; L161-M239 PolarHBondContact O-N 3.09Å; V174-M239 HydrophobicContact CG1-CE 4.13Å; E179-M239 HydrophobicContact CB-CE 4.42Å; E179-M239 HydrophobicContact CG-CE 3.66Å; C183-M239 HydrophobicContact CB-CB 4.27Å; W237-M239 HydrophobicContact CZ2-CB 3.87Å; W237-M239 HydrophobicContact CZ2-SD 4.18Å; W237-M239 PolarHBondContact NE1-SD 3.21Å
240A98.6Very high96.9Very high3 Ų338.1 Ų38.13%0.02521%0.209CC..EExtended strand (participates in β ladder)trans-74.6142.9173.500000111.7E159 G180 W182E159-A240 CarbonylContact O-C 3.52Å; E159-A240 VanDerWaalsContact O-CA 3.3Å; E159-A240 WeakPolarHBondContact O-CA 3.43Å; G180-A240 PolarHBondContact N-O 3.36Å; W182-A240 HydrophobicContact CD2-CB 3.77Å; W182-A240 HydrophobicContact CG-CB 3.78Å; W182-A240 HydrophobicContact CZ2-CB 4.1Å; W182-A240 WeakPolarHBondContact O-CB 3.43Å; W182-A240 PolarHBondContact O-N 2.79Å
241I97.8Very high96.8Very high6 Ų634.8 Ų34.83%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-106.6134.3167.5-50.3175.2000107.6L8 L11 I156 E159 L161L8-I241 HydrophobicContact CD2-CD1 4.28Å; L8-I241 HydrophobicContact CD2-CG1 3.87Å; L11-I241 HydrophobicContact CD1-CD1 4.33Å; L11-I241 HydrophobicContact CD1-CG2 3.58Å; I156-I241 HydrophobicContact CB-CD1 4.36Å; I156-I241 HydrophobicContact CG1-CD1 4.2Å; I156-I241 HydrophobicContact CG2-CD1 3.5Å; I156-I241 VanDerWaalsContact CG2-CD1 3.5Å; E159-I241 PolarHBondContact O-N 2.86Å; L161-I241 HydrophobicContact CB-CD1 4.18Å; L161-I241 HydrophobicContact CB-CG1 4.28Å
242K93.8Very high96.6Very high129 Ų12937.3 Ų37.356%0.56121%0.21SC*.  trans-70131.5175.5-166.9173.5-175.8173.70110.4M178M178-K242 WeakPolarHBondContact O-CB 3.12Å; M178-K242 PolarHBondContact O-N 3.07Å
243S78.7Confident96.4Very high155 Ų15536.7 Ų36.7100%1.08421%0.208SC*.  trans-72.60175.324.30000114.1E159E159-S243 WeakPolarHBondContact OE1-CB 2.86Å; E159-S243 PolarHBondContact OE1-OG 3.36Å

Retrieved 243 of 243 residues in 91.2 ms (Link to these results)

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