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Calcyclin-binding protein

May be involved in calcium-dependent ubiquitination and subsequent proteasomal degradation of target proteins. Probably serves as a molecular bridge in ubiquitin E3 complexes. Participates in the ubiquitin-mediated degradation of beta-catenin (CTNNB1) (By similarity).

AlphaFold DB , UniProt , Accession Q4R4P3, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene CACYBP, Length 228 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
1M57Low83.8Confident172 Ų17284.2 Ų84.285%0.84742%0.42SS*.  0-90.80-58.4-149.5-7700113.1S3 E4 E5M1-S3 PolarHBondContact O-N 3.18Å; M1-E4 WeakPolarHBondContact CA-OE2 3.42Å; M1-E4 PolarHBondContact N-OE1 3.32Å; M1-E4 PolarHBondContact N-OE2 3.44Å; M1-E4 WeakPolarHBondContact O-CB 3.34Å; M1-E4 PolarHBondContact O-N 3.39Å; M1-E5 PolarHBondContact O-N 3.16Å
2A72.9Confident84.6Confident45 Ų4587.3 Ų87.337%0.37243%0.432SS..Hα-helixtrans-65.3-8-171.200000117.2K43A2-K43 PolarHBondContact O-NZ 3.1Å
3S77.4Confident85.2Confident31 Ų3181.6 Ų81.622%0.21741%0.406CS..Hα-helixtrans-94.3-24.8171.3-171.80000112.4M1 Q7M1-S3 PolarHBondContact O-N 3.18Å; S3-Q7 WeakPolarHBondContact O-CG 3.34Å; S3-Q7 PolarHBondContact O-N 3.31Å
4E83.9Confident85.7Confident108 Ų10881.1 Ų81.151%0.50540%0.4SS..Hα-helixtrans-78.6-36.6176.3-69.5140.3-143.500110.1M1 Q7 K8M1-E4 WeakPolarHBondContact CA-OE2 3.42Å; M1-E4 PolarHBondContact N-OE1 3.32Å; M1-E4 PolarHBondContact N-OE2 3.44Å; M1-E4 WeakPolarHBondContact O-CB 3.34Å; M1-E4 PolarHBondContact O-N 3.39Å; E4-Q7 WeakPolarHBondContact O-CB 3.46Å; E4-Q7 PolarHBondContact O-N 3.02Å; E4-K8 WeakPolarHBondContact O-CG 3.35Å; E4-K8 PolarHBondContact O-N 2.92Å
5E87.1Confident86.3Confident119 Ų11980 Ų8056%0.55640%0.399SS*.Hα-helixtrans-60.3-50.6174.3-71.3178.4163.600111.2M1 Q7 K8 D9M1-E5 PolarHBondContact O-N 3.16Å; E5-Q7 PolarHBondContact O-N 3.03Å; E5-Q7 VanDerWaalsContact O-N 3.15Å; E5-K8 CarbonylContact O-C 3.54Å; E5-K8 WeakPolarHBondContact O-CA 3.34Å; E5-K8 WeakPolarHBondContact O-CB 3.42Å; E5-K8 PolarHBondContact O-N 3.44Å; E5-D9 VanDerWaalsContact O-CG 3.25Å; E5-D9 PolarHBondContact O-N 3.42Å
6L87.7Confident86.7Confident14 Ų1479.7 Ų79.77%0.07340%0.399CS..Hα-helixtrans-58.5-32.5176.1-70.2172.8000113.2L10 I36 E39 I40 K43L6-L10 VanDerWaalsContact O-CB 3.28Å; L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 PolarHBondContact O-N 3.1Å; L6-I36 HydrophobicContact CB-CG2 4.38Å; L6-I36 HydrophobicContact CD2-CG2 4.3Å; L6-I36 WeakPolarHBondContact O-CG2 3.43Å; L6-E39 HydrophobicContact CD1-CB 4.19Å; L6-E39 WeakPolarHBondContact CD2-OE2 3.41Å; L6-I40 HydrophobicContact CB-CD1 4.18Å; L6-I40 HydrophobicContact CB-CG1 3.79Å; L6-I40 HydrophobicContact CD1-CG1 4.29Å; L6-K43 HydrophobicContact CD1-CD 3.75Å
7Q88.5Confident87Confident100 Ų10076.6 Ų76.647%0.46738%0.384SS..Hα-helixtrans-70.3-37.9174.3-76.7178.6-32.600112S3 E4 E5 E11 I40S3-Q7 WeakPolarHBondContact O-CG 3.34Å; S3-Q7 PolarHBondContact O-N 3.31Å; E4-Q7 WeakPolarHBondContact O-CB 3.46Å; E4-Q7 PolarHBondContact O-N 3.02Å; E5-Q7 PolarHBondContact O-N 3.03Å; E5-Q7 VanDerWaalsContact O-N 3.15Å; Q7-E11 PolarHBondContact O-N 3.13Å; Q7-E11 VanDerWaalsContact O-N 3.1Å; Q7-I40 HydrophobicContact CG-CD1 4.48Å
8K92.1Very high87.3Confident148 Ų14881.7 Ų81.764%0.64341%0.406SS*.Hα-helixtrans-65.7-44173.4-68.4175-177.9-178.70111.1E4 E5 L10 E11 E12E4-K8 WeakPolarHBondContact O-CG 3.35Å; E4-K8 PolarHBondContact O-N 2.92Å; E5-K8 CarbonylContact O-C 3.54Å; E5-K8 WeakPolarHBondContact O-CA 3.34Å; E5-K8 WeakPolarHBondContact O-CB 3.42Å; E5-K8 PolarHBondContact O-N 3.44Å; K8-L10 VanDerWaalsContact C-N 3.33Å; K8-L10 PolarHBondContact O-N 2.9Å; K8-E11 PolarHBondContact O-N 3.39Å; K8-E11 VanDerWaalsContact O-N 3.16Å; K8-E12 PolarHBondContact O-N 3.34Å
9D90.5Very high87.6Confident67 Ų6785.8 Ų85.836%0.35842%0.421SS..Hα-helixtrans-61.5-43.5177.5-59-17.8000110.9E5 E11 E12 V13 I36E5-D9 VanDerWaalsContact O-CG 3.25Å; E5-D9 PolarHBondContact O-N 3.42Å; D9-E11 VanDerWaalsContact C-N 3.29Å; D9-E11 PolarHBondContact O-N 2.89Å; D9-E12 PolarHBondContact O-N 3.31Å; D9-V13 WeakPolarHBondContact O-CB 3.39Å; D9-V13 VanDerWaalsContact O-CG2 3.3Å; D9-V13 WeakPolarHBondContact O-CG2 3.44Å; D9-V13 PolarHBondContact O-N 3.25Å; D9-I36 HydrophobicContact CB-CD1 3.97Å
10L91.8Very high87.7Confident22 Ų2282.1 Ų82.112%0.11541%0.405CS..Hα-helixtrans-60.6-40.3176.1-175.5149.7000111.6L6 K8 K14 I36 E37 I40L6-L10 VanDerWaalsContact O-CB 3.28Å; L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 PolarHBondContact O-N 3.1Å; K8-L10 VanDerWaalsContact C-N 3.33Å; K8-L10 PolarHBondContact O-N 2.9Å; L10-K14 HydrophobicContact CD2-CD 4.03Å; L10-K14 VanDerWaalsContact CD2-NZ 3.27Å; L10-K14 WeakPolarHBondContact O-CG 3.38Å; L10-K14 PolarHBondContact O-N 3.5Å; L10-K14 VanDerWaalsContact O-N 3.16Å; L10-I36 HydrophobicContact CB-CG2 3.83Å; L10-I36 HydrophobicContact CD1-CG2 4.35Å; L10-E37 HydrophobicContact CD1-CG 3.56Å; L10-I40 HydrophobicContact CB-CD1 4.3Å; L10-I40 HydrophobicContact CD1-CD1 3.6Å
11E92.9Very high87.9Confident100 Ų10084.4 Ų84.447%0.46742%0.424SS..Hα-helixtrans-70.4-40.7178.2-161.557.7-152.700111.7Q7 K8 D9 V13 K14 V15Q7-E11 PolarHBondContact O-N 3.13Å; Q7-E11 VanDerWaalsContact O-N 3.1Å; K8-E11 PolarHBondContact O-N 3.39Å; K8-E11 VanDerWaalsContact O-N 3.16Å; D9-E11 VanDerWaalsContact C-N 3.29Å; D9-E11 PolarHBondContact O-N 2.89Å; E11-V13 PolarHBondContact O-N 3.46Å; E11-K14 WeakPolarHBondContact O-CB 3.39Å; E11-K14 PolarHBondContact O-N 3.18Å; E11-K14 IonicContact OE2-NZ 3.12Å; E11-K14 PolarHBondContact OE2-NZ 3.05Å; E11-K14 VanDerWaalsContact OE2-NZ 3.16Å; E11-V15 WeakPolarHBondContact O-CG2 3.3Å; E11-V15 PolarHBondContact O-N 2.66Å
12E93.3Very high89.6Confident121 Ų12185.3 Ų85.357%0.56542%0.418SS*.Hα-helixtrans-62.3-44.4174.7-174.9169.3-163.300111.7K8 D9 K14 V15 L16K8-E12 PolarHBondContact O-N 3.34Å; D9-E12 PolarHBondContact O-N 3.31Å; E12-K14 VanDerWaalsContact C-N 3.28Å; E12-K14 PolarHBondContact O-N 2.87Å; E12-V15 PolarHBondContact O-N 2.83Å; E12-L16 HydrophobicContact CG-CD1 4.23Å; E12-L16 HydrophobicContact CG-CG 4.49Å; E12-L16 WeakPolarHBondContact O-CG 2.97Å; E12-L16 PolarHBondContact O-N 3.09Å
13V92.6Very high90.6Very high14 Ų1490.8 Ų90.89%0.08543%0.433CS..Hα-helixtrans-61.8-36.2176.8171.90000111.6D9 E11 L16 L17 L29 K33 I36D9-V13 WeakPolarHBondContact O-CB 3.39Å; D9-V13 VanDerWaalsContact O-CG2 3.3Å; D9-V13 WeakPolarHBondContact O-CG2 3.44Å; D9-V13 PolarHBondContact O-N 3.25Å; E11-V13 PolarHBondContact O-N 3.46Å; V13-L16 PolarHBondContact O-N 3.2Å; V13-L17 HydrophobicContact CG1-CD1 4.21Å; V13-L17 WeakPolarHBondContact O-CB 3.36Å; V13-L17 WeakPolarHBondContact O-CG 3.28Å; V13-L17 PolarHBondContact O-N 2.82Å; V13-L29 HydrophobicContact CG1-CB 4.43Å; V13-L29 HydrophobicContact CG1-CD2 4.48Å; V13-L29 WeakPolarHBondContact CG1-O 3.32Å; V13-K33 HydrophobicContact CG1-CB 3.79Å; V13-I36 HydrophobicContact CG2-CD1 3.89Å
14K92.7Very high91.2Very high75 Ų7599.9 Ų99.933%0.32646%0.462SS..Hα-helixtrans-64.3-46.6173.4-74.8172.1-178.3163.60112L10 E11 E12 L16 L17 E18L10-K14 HydrophobicContact CD2-CD 4.03Å; L10-K14 VanDerWaalsContact CD2-NZ 3.27Å; L10-K14 WeakPolarHBondContact O-CG 3.38Å; L10-K14 PolarHBondContact O-N 3.5Å; L10-K14 VanDerWaalsContact O-N 3.16Å; E11-K14 WeakPolarHBondContact O-CB 3.39Å; E11-K14 PolarHBondContact O-N 3.18Å; E11-K14 IonicContact OE2-NZ 3.12Å; E11-K14 PolarHBondContact OE2-NZ 3.05Å; E11-K14 VanDerWaalsContact OE2-NZ 3.16Å; E12-K14 VanDerWaalsContact C-N 3.28Å; E12-K14 PolarHBondContact O-N 2.87Å; K14-L16 VanDerWaalsContact C-N 3.27Å; K14-L16 PolarHBondContact O-N 3.48Å; K14-L17 WeakPolarHBondContact O-CB 3.49Å; K14-L17 PolarHBondContact O-N 3.44Å; K14-L17 VanDerWaalsContact O-N 3.13Å; K14-E18 PolarHBondContact O-N 2.91Å; K14-E18 VanDerWaalsContact O-N 3.1Å
15V94.3Very high91.6Very high64 Ų6498.1 Ų98.139%0.38846%0.459SS..Hα-helixtrans-60.9-39.6177.4173.40000111E11 E12 E18 K19E11-V15 WeakPolarHBondContact O-CG2 3.3Å; E11-V15 PolarHBondContact O-N 2.66Å; E12-V15 PolarHBondContact O-N 2.83Å; V15-E18 PolarHBondContact O-N 3.08Å; V15-K19 PolarHBondContact O-N 2.89Å
16L93.4Very high91.8Very high75 Ų7598.6 Ų98.639%0.39346%0.456SS..Hα-helixtrans-67.7-37.2175.3-69.5175.6000112.3E12 V13 K14 E18 K19 A20 L29E12-L16 HydrophobicContact CG-CD1 4.23Å; E12-L16 HydrophobicContact CG-CG 4.49Å; E12-L16 WeakPolarHBondContact O-CG 2.97Å; E12-L16 PolarHBondContact O-N 3.09Å; V13-L16 PolarHBondContact O-N 3.2Å; K14-L16 VanDerWaalsContact C-N 3.27Å; K14-L16 PolarHBondContact O-N 3.48Å; L16-E18 VanDerWaalsContact C-N 3.3Å; L16-E18 PolarHBondContact O-N 3.16Å; L16-K19 PolarHBondContact O-N 3.4Å; L16-A20 WeakPolarHBondContact O-CB 3.37Å; L16-A20 PolarHBondContact O-N 3.1Å; L16-L29 HydrophobicContact CB-CD1 3.91Å; L16-L29 HydrophobicContact CB-CD2 4.09Å; L16-L29 HydrophobicContact CD1-CD2 4.22Å
17L91.1Very high91.9Very high28 Ų28102.1 Ų102.115%0.14748%0.475CS..Hα-helixtrans-62.5-35.8175.6-86167.8000112.5V13 K14 K19 A20 L29 K33V13-L17 HydrophobicContact CG1-CD1 4.21Å; V13-L17 WeakPolarHBondContact O-CB 3.36Å; V13-L17 WeakPolarHBondContact O-CG 3.28Å; V13-L17 PolarHBondContact O-N 2.82Å; K14-L17 WeakPolarHBondContact O-CB 3.49Å; K14-L17 PolarHBondContact O-N 3.44Å; K14-L17 VanDerWaalsContact O-N 3.13Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-A20 PolarHBondContact O-N 3.35Å; L17-L29 HydrophobicContact CD1-CB 4.48Å; L17-L29 HydrophobicContact CD2-CB 3.51Å; L17-L29 HydrophobicContact CD2-CD1 4.23Å; L17-L29 HydrophobicContact CG-CB 3.72Å; L17-L29 HydrophobicContact CG-CD1 4.28Å; L17-K33 HydrophobicContact CD1-CB 4.44Å; L17-K33 HydrophobicContact CD1-CD 3.94Å
18E92.8Very high92Very high168 Ų168100.2 Ų100.279%0.78548%0.476SS*.Hα-helixtrans-66.1-34.5175-69.6-177.9172.400112.3K14 V15 L16K14-E18 PolarHBondContact O-N 2.91Å; K14-E18 VanDerWaalsContact O-N 3.1Å; V15-E18 PolarHBondContact O-N 3.08Å; L16-E18 VanDerWaalsContact C-N 3.3Å; L16-E18 PolarHBondContact O-N 3.16Å
19K92.9Very high92Very high160 Ų16094.5 Ų94.570%0.69645%0.452SS*.Hα-helixtrans-85.1-17.9178.6-67.5176.7-177.1-86.60113.5V15 L16 L17 T21V15-K19 PolarHBondContact O-N 2.89Å; L16-K19 PolarHBondContact O-N 3.4Å; L17-K19 VanDerWaalsContact C-N 3.32Å; K19-T21 PolarHBondContact O-N 3.16Å
20A90.1Very high92.1Very high11 Ų1195 Ų959%0.09146%0.458CS..  trans-76113.2-175.100000112.5L16 L17 V25 R26 L29L16-A20 WeakPolarHBondContact O-CB 3.37Å; L16-A20 PolarHBondContact O-N 3.1Å; L17-A20 PolarHBondContact O-N 3.35Å; A20-V25 HydrophobicContact CB-CG1 4.01Å; A20-R26 HydrophobicContact CB-CG 3.76Å; A20-R26 WeakPolarHBondContact O-CD 3.48Å; A20-R26 WeakPolarHBondContact O-CG 3.41Å; A20-L29 HydrophobicContact CB-CD1 3.78Å
21T91.2Very high92.1Very high130 Ų13096.4 Ų96.480%0.79847%0.473SS*.  trans-92.7-32.6179.355.10000113.5K19K19-T21 PolarHBondContact O-N 3.16Å
22R93.5Very high91.9Very high192 Ų19295.4 Ų95.473%0.72547%0.468SS*.SBendtrans-84132.5-176.1-64.1-169.8-179.8-146.91.5111.6R24 V25 R26R22-R24 PolarHBondContact O-N 2.98Å; R22-V25 HydrophobicContact CB-CB 4.46Å; R22-V25 HydrophobicContact CB-CG2 4.09Å; R22-V25 PolarHBondContact O-N 3.45Å; R22-R26 PolarHBondContact O-N 2.92Å
23K92.3Very high91.9Very high160 Ų16092.5 Ų92.570%0.69645%0.454SS*.Hα-helixtrans-49.5-52.2179.9-174.4-177.1176.1-174.80113.1V25 R26 D27K23-V25 PolarHBondContact O-N 2.99Å; K23-R26 WeakPolarHBondContact O-CB 3.42Å; K23-R26 PolarHBondContact O-N 2.84Å; K23-R26 VanDerWaalsContact O-N 3.09Å; K23-D27 VanDerWaalsContact O-CG 3.24Å; K23-D27 PolarHBondContact O-N 2.97Å
24R90.5Very high91.8Very high221 Ų22195 Ų9583%0.83447%0.472SS*.Hα-helixtrans-56.6-37179.8-175.3177.5179.5178.8-0.2113.2R22 A28R22-R24 PolarHBondContact O-N 2.98Å; R24-A28 WeakPolarHBondContact O-CB 3.49Å; R24-A28 PolarHBondContact O-N 3.45Å; R24-A28 VanDerWaalsContact O-N 3.08Å
25V91.7Very high91.7Very high71 Ų7196.9 Ų96.943%0.4348%0.48SS..Hα-helixtrans-73.9-42.2179.1-178.70000110.1A20 R22 K23 D27 A28 L29A20-V25 HydrophobicContact CB-CG1 4.01Å; R22-V25 HydrophobicContact CB-CB 4.46Å; R22-V25 HydrophobicContact CB-CG2 4.09Å; R22-V25 PolarHBondContact O-N 3.45Å; K23-V25 PolarHBondContact O-N 2.99Å; V25-D27 VanDerWaalsContact C-N 3.35Å; V25-D27 PolarHBondContact O-N 3.42Å; V25-A28 PolarHBondContact O-N 3.03Å; V25-L29 HydrophobicContact CG1-CD1 3.95Å; V25-L29 HydrophobicContact CG1-CG 4.38Å; V25-L29 WeakPolarHBondContact O-CB 3.4Å; V25-L29 VanDerWaalsContact O-CG 3.32Å; V25-L29 WeakPolarHBondContact O-CG 3.37Å; V25-L29 PolarHBondContact O-N 3.35Å
26R92.2Very high91.4Very high129 Ų12994.5 Ų94.549%0.48747%0.465SS..Hα-helixtrans-60.8-43.2173.8-67.9179.570.1126-2.4111.9A20 R22 K23 L29 T30A20-R26 HydrophobicContact CB-CG 3.76Å; A20-R26 WeakPolarHBondContact O-CD 3.48Å; A20-R26 WeakPolarHBondContact O-CG 3.41Å; R22-R26 PolarHBondContact O-N 2.92Å; K23-R26 WeakPolarHBondContact O-CB 3.42Å; K23-R26 PolarHBondContact O-N 2.84Å; K23-R26 VanDerWaalsContact O-N 3.09Å; R26-L29 PolarHBondContact O-N 3.33Å; R26-T30 VanDerWaalsContact O-CB 3.24Å; R26-T30 WeakPolarHBondContact O-CB 3.39Å; R26-T30 PolarHBondContact O-N 3.33Å; R26-T30 PolarHBondContact O-OG1 3.36Å
27D90.2Very high91.2Very high88 Ų8894.9 Ų94.947%0.47147%0.465SS..Hα-helixtrans-63.5-44.2178.6-65.7-15.4000110.6K23 V25 T30 A31K23-D27 VanDerWaalsContact O-CG 3.24Å; K23-D27 PolarHBondContact O-N 2.97Å; V25-D27 VanDerWaalsContact C-N 3.35Å; V25-D27 PolarHBondContact O-N 3.42Å; D27-T30 PolarHBondContact O-N 2.94Å; D27-A31 WeakPolarHBondContact O-CB 3.24Å; D27-A31 PolarHBondContact O-N 3.45Å
28A91.2Very high91.1Very high60 Ų6096.9 Ų96.950%0.49648%0.478SS..Hα-helixtrans-62.2-47.5176.200000112.4R24 V25 T30 A31 E32R24-A28 WeakPolarHBondContact O-CB 3.49Å; R24-A28 PolarHBondContact O-N 3.45Å; R24-A28 VanDerWaalsContact O-N 3.08Å; V25-A28 PolarHBondContact O-N 3.03Å; A28-T30 VanDerWaalsContact C-N 3.34Å; A28-T30 PolarHBondContact O-N 3.37Å; A28-A31 PolarHBondContact O-N 3.48Å; A28-E32 PolarHBondContact O-N 3Å
29L92Very high90.9Very high28 Ų2893.6 Ų93.615%0.14746%0.463CS..Hα-helixtrans-66.7-34.7177.5-70.3170.9000112.3V13 L16 L17 A20 V25 R26 E32 K33V13-L29 HydrophobicContact CG1-CB 4.43Å; V13-L29 HydrophobicContact CG1-CD2 4.48Å; V13-L29 WeakPolarHBondContact CG1-O 3.32Å; L16-L29 HydrophobicContact CB-CD1 3.91Å; L16-L29 HydrophobicContact CB-CD2 4.09Å; L16-L29 HydrophobicContact CD1-CD2 4.22Å; L17-L29 HydrophobicContact CD1-CB 4.48Å; L17-L29 HydrophobicContact CD2-CB 3.51Å; L17-L29 HydrophobicContact CD2-CD1 4.23Å; L17-L29 HydrophobicContact CG-CB 3.72Å; L17-L29 HydrophobicContact CG-CD1 4.28Å; A20-L29 HydrophobicContact CB-CD1 3.78Å; V25-L29 HydrophobicContact CG1-CD1 3.95Å; V25-L29 HydrophobicContact CG1-CG 4.38Å; V25-L29 WeakPolarHBondContact O-CB 3.4Å; V25-L29 VanDerWaalsContact O-CG 3.32Å; V25-L29 WeakPolarHBondContact O-CG 3.37Å; V25-L29 PolarHBondContact O-N 3.35Å; R26-L29 PolarHBondContact O-N 3.33Å; L29-E32 PolarHBondContact O-N 3.13Å; L29-K33 WeakPolarHBondContact O-CB 3.49Å; L29-K33 PolarHBondContact O-N 2.94Å
30T91.5Very high90.6Very high77 Ų7786.9 Ų86.947%0.47243%0.434SS..Hα-helixtrans-67.3-41.2176-58.10000111.1R26 D27 A28 E32 K33 S34R26-T30 VanDerWaalsContact O-CB 3.24Å; R26-T30 WeakPolarHBondContact O-CB 3.39Å; R26-T30 PolarHBondContact O-N 3.33Å; R26-T30 PolarHBondContact O-OG1 3.36Å; D27-T30 PolarHBondContact O-N 2.94Å; A28-T30 VanDerWaalsContact C-N 3.34Å; A28-T30 PolarHBondContact O-N 3.37Å; T30-E32 VanDerWaalsContact C-N 3.33Å; T30-K33 PolarHBondContact O-N 3.35Å; T30-S34 PolarHBondContact O-N 3.01Å
31A91.6Very high90.5Very high52 Ų5292.6 Ų92.643%0.4346%0.457SS..Hα-helixtrans-62.1-42173.400000111.4D27 A28 S34 K35D27-A31 WeakPolarHBondContact O-CB 3.24Å; D27-A31 PolarHBondContact O-N 3.45Å; A28-A31 PolarHBondContact O-N 3.48Å; A31-S34 PolarHBondContact O-N 2.9Å; A31-K35 WeakPolarHBondContact O-CG 3.47Å; A31-K35 PolarHBondContact O-N 2.84Å; A31-K35 VanDerWaalsContact O-N 3.08Å
32E89.8Confident90.1Very high79 Ų7990 Ų9037%0.36944%0.438SS..Hα-helixtrans-67.8-42178.4-152.459.3-152.800112.1A28 L29 T30 S34 K35 I36A28-E32 PolarHBondContact O-N 3Å; L29-E32 PolarHBondContact O-N 3.13Å; T30-E32 VanDerWaalsContact C-N 3.33Å; E32-S34 VanDerWaalsContact C-N 3.3Å; E32-S34 PolarHBondContact O-N 3.05Å; E32-K35 WeakPolarHBondContact O-CB 3.37Å; E32-K35 PolarHBondContact O-N 3.44Å; E32-K35 VanDerWaalsContact O-N 3.13Å; E32-K35 IonicContact OE1-NZ 2.66Å; E32-K35 IonicContact OE2-NZ 3.17Å; E32-K35 PolarHBondContact OE2-NZ 3.25Å; E32-I36 HydrophobicContact CG-CD1 4.44Å; E32-I36 WeakPolarHBondContact O-CG1 3.46Å; E32-I36 PolarHBondContact O-N 3.15Å
33K91.6Very high89.6Confident61 Ų6184.3 Ų84.327%0.26542%0.419SS..Hα-helixtrans-53-48.3171-177.6-177.2168.3-173.70111.3V13 L17 L29 T30 K35 I36 E37V13-K33 HydrophobicContact CG1-CB 3.79Å; L17-K33 HydrophobicContact CD1-CB 4.44Å; L17-K33 HydrophobicContact CD1-CD 3.94Å; L29-K33 WeakPolarHBondContact O-CB 3.49Å; L29-K33 PolarHBondContact O-N 2.94Å; T30-K33 PolarHBondContact O-N 3.35Å; K33-K35 VanDerWaalsContact C-N 3.33Å; K33-K35 PolarHBondContact O-N 2.8Å; K33-I36 PolarHBondContact O-N 3.19Å; K33-E37 WeakPolarHBondContact CE-OE1 3.31Å; K33-E37 IonicContact NZ-OE1 3.16Å; K33-E37 WeakPolarHBondContact O-CB 3.39Å; K33-E37 WeakPolarHBondContact O-CG 3.34Å; K33-E37 PolarHBondContact O-N 2.88Å
34S90.8Very high89Confident66 Ų6681.4 Ų81.446%0.46241%0.409SS..Hα-helixtrans-63.9-35.7179.8-176.10000112.8T30 A31 E32 T38T30-S34 PolarHBondContact O-N 3.01Å; A31-S34 PolarHBondContact O-N 2.9Å; E32-S34 VanDerWaalsContact C-N 3.3Å; E32-S34 PolarHBondContact O-N 3.05Å; S34-T38 WeakPolarHBondContact O-CB 3.39Å; S34-T38 PolarHBondContact O-N 2.72Å; S34-T38 VanDerWaalsContact O-N 3.09Å; S34-T38 PolarHBondContact O-OG1 3.47Å
35K90.7Very high88.2Confident114 Ų11475.7 Ų75.750%0.49639%0.392SS..Hα-helixtrans-65.6-48.8174.9-70.2178.1-163.3159.10111.2A31 E32 K33 E37 T38 E39A31-K35 WeakPolarHBondContact O-CG 3.47Å; A31-K35 PolarHBondContact O-N 2.84Å; A31-K35 VanDerWaalsContact O-N 3.08Å; E32-K35 WeakPolarHBondContact O-CB 3.37Å; E32-K35 PolarHBondContact O-N 3.44Å; E32-K35 VanDerWaalsContact O-N 3.13Å; E32-K35 IonicContact OE1-NZ 2.66Å; E32-K35 IonicContact OE2-NZ 3.17Å; E32-K35 PolarHBondContact OE2-NZ 3.25Å; K33-K35 VanDerWaalsContact C-N 3.33Å; K33-K35 PolarHBondContact O-N 2.8Å; K35-E37 PolarHBondContact O-N 3.4Å; K35-T38 WeakPolarHBondContact O-CB 3.41Å; K35-T38 PolarHBondContact O-N 3.39Å; K35-T38 VanDerWaalsContact O-N 3.14Å; K35-E39 PolarHBondContact O-N 2.88Å
36I89.2Confident87.1Confident14 Ų1478.5 Ų78.57%0.07240%0.4CS..Hα-helixtrans-62.6-43.1-179.5-61.7165.4000110.7L6 D9 L10 V13 E32 K33 T38 E39 I40L6-I36 HydrophobicContact CB-CG2 4.38Å; L6-I36 HydrophobicContact CD2-CG2 4.3Å; L6-I36 WeakPolarHBondContact O-CG2 3.43Å; D9-I36 HydrophobicContact CB-CD1 3.97Å; L10-I36 HydrophobicContact CB-CG2 3.83Å; L10-I36 HydrophobicContact CD1-CG2 4.35Å; V13-I36 HydrophobicContact CG2-CD1 3.89Å; E32-I36 HydrophobicContact CG-CD1 4.44Å; E32-I36 WeakPolarHBondContact O-CG1 3.46Å; E32-I36 PolarHBondContact O-N 3.15Å; K33-I36 PolarHBondContact O-N 3.19Å; I36-T38 VanDerWaalsContact C-N 3.31Å; I36-T38 PolarHBondContact O-N 3.14Å; I36-E39 PolarHBondContact O-N 3.26Å; I36-I40 HydrophobicContact CG2-CD1 3.91Å; I36-I40 HydrophobicContact CG2-CG1 4.4Å; I36-I40 VanDerWaalsContact O-CG1 3.31Å; I36-I40 WeakPolarHBondContact O-CG1 3.43Å; I36-I40 PolarHBondContact O-N 3.09Å
37E89.5Confident85.8Confident84 Ų8479.4 Ų79.439%0.39341%0.408SS..Hα-helixtrans-59.5-40.9174.6-76.6176.6167.500112.2L10 K33 K35 I40 K41L10-E37 HydrophobicContact CD1-CG 3.56Å; K33-E37 WeakPolarHBondContact CE-OE1 3.31Å; K33-E37 IonicContact NZ-OE1 3.16Å; K33-E37 WeakPolarHBondContact O-CB 3.39Å; K33-E37 WeakPolarHBondContact O-CG 3.34Å; K33-E37 PolarHBondContact O-N 2.88Å; K35-E37 PolarHBondContact O-N 3.4Å; E37-I40 PolarHBondContact O-N 2.91Å; E37-K41 WeakPolarHBondContact O-CB 3.46Å; E37-K41 PolarHBondContact O-N 3.37Å
38T87.8Confident84.2Confident69 Ų6979.1 Ų79.142%0.42341%0.413SS..Hα-helixtrans-66.2-41.9176.4-54.70000111.3S34 K35 I36 K41 N42S34-T38 WeakPolarHBondContact O-CB 3.39Å; S34-T38 PolarHBondContact O-N 2.72Å; S34-T38 VanDerWaalsContact O-N 3.09Å; S34-T38 PolarHBondContact O-OG1 3.47Å; K35-T38 WeakPolarHBondContact O-CB 3.41Å; K35-T38 PolarHBondContact O-N 3.39Å; K35-T38 VanDerWaalsContact O-N 3.14Å; I36-T38 VanDerWaalsContact C-N 3.31Å; I36-T38 PolarHBondContact O-N 3.14Å; T38-K41 PolarHBondContact O-N 3.45Å; T38-N42 WeakPolarHBondContact O-CB 3.39Å; T38-N42 PolarHBondContact O-N 2.95Å; T38-N42 PolarHBondContact O-ND2 3.29Å
39E87.8Confident82.5Confident100 Ų10082.8 Ų82.847%0.46742%0.419SS..Hα-helixtrans-63.8-42175.6-76.1-168.8-175.100112.6L6 K35 I36 N42 K43L6-E39 HydrophobicContact CD1-CB 4.19Å; L6-E39 WeakPolarHBondContact CD2-OE2 3.41Å; K35-E39 PolarHBondContact O-N 2.88Å; I36-E39 PolarHBondContact O-N 3.26Å; E39-N42 PolarHBondContact O-N 2.94Å; E39-K43 WeakPolarHBondContact O-CB 3.33Å; E39-K43 WeakPolarHBondContact O-CG 3.33Å; E39-K43 PolarHBondContact O-N 3Å
40I88.5Confident80.5Confident19 Ų1987.8 Ų87.810%0.09744%0.44CS..Hα-helixtrans-61.9-46.8175.1-68.7168.3000110.2L6 Q7 L10 I36 E37 N42 K43 M44L6-I40 HydrophobicContact CB-CD1 4.18Å; L6-I40 HydrophobicContact CB-CG1 3.79Å; L6-I40 HydrophobicContact CD1-CG1 4.29Å; Q7-I40 HydrophobicContact CG-CD1 4.48Å; L10-I40 HydrophobicContact CB-CD1 4.3Å; L10-I40 HydrophobicContact CD1-CD1 3.6Å; I36-I40 HydrophobicContact CG2-CD1 3.91Å; I36-I40 HydrophobicContact CG2-CG1 4.4Å; I36-I40 VanDerWaalsContact O-CG1 3.31Å; I36-I40 WeakPolarHBondContact O-CG1 3.43Å; I36-I40 PolarHBondContact O-N 3.09Å; E37-I40 PolarHBondContact O-N 2.91Å; I40-N42 PolarHBondContact O-N 3.08Å; I40-K43 PolarHBondContact O-N 3.22Å; I40-M44 HydrophobicContact CG2-CE 4.1Å; I40-M44 HydrophobicContact CG2-SD 4.36Å; I40-M44 WeakPolarHBondContact O-CG 3.44Å; I40-M44 PolarHBondContact O-N 2.89Å
41K87.5Confident78.2Confident130 Ų13092.3 Ų92.357%0.56545%0.453SS*.Hα-helixtrans-60.4-45.3178.2-173.1-178.1179.5-178.20111.7E37 T38 K43 M44 Q45E37-K41 WeakPolarHBondContact O-CB 3.46Å; E37-K41 PolarHBondContact O-N 3.37Å; T38-K41 PolarHBondContact O-N 3.45Å; K41-K43 PolarHBondContact O-N 3.22Å; K41-M44 PolarHBondContact O-N 3.48Å; K41-Q45 WeakPolarHBondContact O-CG 3.35Å; K41-Q45 PolarHBondContact O-N 2.89Å
42N82.8Confident76.1Confident77 Ų7793.7 Ų93.741%0.41246%0.464SS..Hα-helixtrans-63-42178-71.7-15000111.5T38 E39 I40 Q45 Q46T38-N42 WeakPolarHBondContact O-CB 3.39Å; T38-N42 PolarHBondContact O-N 2.95Å; T38-N42 PolarHBondContact O-ND2 3.29Å; E39-N42 PolarHBondContact O-N 2.94Å; I40-N42 PolarHBondContact O-N 3.08Å; N42-Q45 PolarHBondContact O-N 3.46Å; N42-Q46 WeakPolarHBondContact O-CB 3.47Å; N42-Q46 WeakPolarHBondContact O-CG 3.48Å; N42-Q46 PolarHBondContact O-N 2.98Å
43K81.8Confident74Confident71 Ų7198 Ų9831%0.30948%0.484SS..Hα-helixtrans-66.1-36.7174.9-77.5-170.8-175.2-171.70112.9A2 L6 E39 I40 K41 K47A2-K43 PolarHBondContact O-NZ 3.1Å; L6-K43 HydrophobicContact CD1-CD 3.75Å; E39-K43 WeakPolarHBondContact O-CB 3.33Å; E39-K43 WeakPolarHBondContact O-CG 3.33Å; E39-K43 PolarHBondContact O-N 3Å; I40-K43 PolarHBondContact O-N 3.22Å; K41-K43 PolarHBondContact O-N 3.22Å; K43-K47 PolarHBondContact O-N 3.37Å; K43-K47 VanDerWaalsContact O-N 3.07Å
44M79.6Confident71.8Confident100 Ų100101.8 Ų101.849%0.49351%0.507SS..Hα-helixtrans-66.8-43.7174.5-76.6-172174.300111.6I40 K41 Q46 K47 S48I40-M44 HydrophobicContact CG2-CE 4.1Å; I40-M44 HydrophobicContact CG2-SD 4.36Å; I40-M44 WeakPolarHBondContact O-CG 3.44Å; I40-M44 PolarHBondContact O-N 2.89Å; K41-M44 PolarHBondContact O-N 3.48Å; M44-Q46 PolarHBondContact O-N 3.28Å; M44-K47 PolarHBondContact O-N 3.17Å; M44-S48 PolarHBondContact O-N 2.95Å; M44-S48 PolarHBondContact O-OG 3.4Å
45Q75.5Confident69.6Low101 Ų101106.5 Ų106.547%0.47253%0.526SS..Hα-helixtrans-63.5-40.7176.6-74.4-178.6-16.500112.1K41 N42 K47 S48 Q49K41-Q45 WeakPolarHBondContact O-CG 3.35Å; K41-Q45 PolarHBondContact O-N 2.89Å; N42-Q45 PolarHBondContact O-N 3.46Å; Q45-K47 VanDerWaalsContact C-N 3.31Å; Q45-K47 PolarHBondContact O-N 3.49Å; Q45-S48 PolarHBondContact O-N 2.86Å; Q45-Q49 PolarHBondContact O-N 3.42Å
46Q67Low67.3Low130 Ų130107.8 Ų107.861%0.60754%0.539SS*.Hα-helixtrans-63.4-34.8173.6-74.6178.70.500112.8N42 M44 K50N42-Q46 WeakPolarHBondContact O-CB 3.47Å; N42-Q46 WeakPolarHBondContact O-CG 3.48Å; N42-Q46 PolarHBondContact O-N 2.98Å; M44-Q46 PolarHBondContact O-N 3.28Å; Q46-K50 WeakPolarHBondContact O-CB 3.39Å; Q46-K50 PolarHBondContact O-N 2.92Å
47K64.7Low65Low148 Ų148114.4 Ų114.464%0.64357%0.574SS**Hα-helixtrans-70-38173.5-90.2-174.8173.7-177.80112.7K43 M44 Q45 K51K43-K47 PolarHBondContact O-N 3.37Å; K43-K47 VanDerWaalsContact O-N 3.07Å; M44-K47 PolarHBondContact O-N 3.17Å; Q45-K47 VanDerWaalsContact C-N 3.31Å; Q45-K47 PolarHBondContact O-N 3.49Å; K47-K51 PolarHBondContact O-N 2.9Å
48S58.2Low62.7Low82 Ų82119.1 Ų119.157%0.57360%0.596SS**Hα-helixtrans-75.3-36.1-179.8-63.20000112.7M44 Q45 K51 A52M44-S48 PolarHBondContact O-N 2.95Å; M44-S48 PolarHBondContact O-OG 3.4Å; Q45-S48 PolarHBondContact O-N 2.86Å; S48-K51 PolarHBondContact O-N 2.94Å; S48-A52 PolarHBondContact O-N 2.97Å
49Q54.9Low60.7Low136 Ų136124.5 Ų124.564%0.63661%0.613SS**Hα-helixtrans-67-38173.4-75.1176.1-29.300111.8Q45 K51 A52Q45-Q49 PolarHBondContact O-N 3.42Å; Q49-K51 PolarHBondContact O-N 3.41Å; Q49-A52 PolarHBondContact O-N 3.18Å
50K49.8Very low58.5Low133 Ų133124.9 Ų124.958%0.57863%0.625SS**Hα-helixtrans-64.9-16.6171.5-90.1-175.8172-176.70115Q46 L54Q46-K50 WeakPolarHBondContact O-CB 3.39Å; Q46-K50 PolarHBondContact O-N 2.92Å; K50-L54 VanDerWaalsContact O-CD1 3.27Å; K50-L54 WeakPolarHBondContact O-CD1 3.39Å
51K43.8Very low56.1Low173 Ų173128.7 Ų128.775%0.75266%0.659SS**Hα-helixtrans-96.1-16.2-179.7-163.3171.8179.1-176.70113.2K47 S48 Q49K47-K51 PolarHBondContact O-N 2.9Å; S48-K51 PolarHBondContact O-N 2.94Å; Q49-K51 PolarHBondContact O-N 3.41Å
52A47.3Very low54Low81 Ų81126.9 Ų126.967%0.66967%0.669SS**Hα-helixtrans-89.8-17.9-178.500000114.2S48 Q49S48-A52 PolarHBondContact O-N 2.97Å; Q49-A52 PolarHBondContact O-N 3.18Å
53E45.9Very low52.1Low168 Ų168130 Ų13079%0.78569%0.69SS**SBendtrans-96.26.6-178.1-68.9178.7154.200114.2
54L45.5Very low49.9Very low142 Ų142133.4 Ų133.474%0.74372%0.716SS**  trans-103.623.5-172.9-74.4170.4000114.9K50K50-L54 VanDerWaalsContact O-CD1 3.27Å; K50-L54 WeakPolarHBondContact O-CD1 3.39Å
55L44.3Very low48.2Very low165 Ų165132.1 Ų132.186%0.86472%0.721SS**SBendtrans-125.346.5177.5-76.9163.3000111.7
56D42.1Very low46.6Very low141 Ų141132 Ų13275%0.75473%0.729SS**SBendtrans-161.1134.5153.6-143.33.3000110
57N41.3Very low45.4Very low153 Ų153132.8 Ų132.882%0.81874%0.736SS**  trans85.1105.3177.3-62.5-56000120
58E40.6Very low44.6Very low182 Ų182129.3 Ų129.385%0.8573%0.727SS**  trans-71.2123.3163.8-81.1-169.598.600112.9
59K45.6Very low44.4Very low182 Ų182131.8 Ų131.879%0.79174%0.739SS**  83.6143.5124.3-159.5169.6176.9-1770119.3
60P41.8Very low44.9Very low108 Ų108126.5 Ų126.570%0.70172%0.722SS**  -144140.1-51.439.8-20.4000113.6
61A38.8Very low46.5Very low100 Ų100127 Ų12783%0.82672%0.721SS**  trans-178.2135.5146.900000112.3
62A43.4Very low48.7Very low92 Ų92122.5 Ų122.576%0.7671%0.708SS**  trans82.295.5148.300000119.9
63V42.4Very low50.9Low143 Ų143120.8 Ų120.887%0.86769%0.689SS**  trans68.696.1136-119.90000119.8A65V63-A65 PolarHBondContact O-N 3.07Å
64V35.4Very low53.2Low142 Ų142120.8 Ų120.886%0.86169%0.686SS**  trans-75.3113.8161.9-179.10000108.8
65A44.5Very low55.5Low72 Ų72114.7 Ų114.760%0.59566%0.655SS**  trans-67.6139.3175.400000111.7V63V63-A65 PolarHBondContact O-N 3.07Å
66P41Very low57.7Low99 Ų99111.7 Ų111.764%0.64365%0.647SS**  trans-72.4130.6-17928.6-31.7000110.7T68P66-T68 VanDerWaalsContact C-N 3.31Å; P66-T68 PolarHBondContact O-N 3.24Å
67I41.7Very low60Low147 Ų147111.6 Ų111.675%0.75465%0.647SS**  trans-78.583.8173.4-32.9170.1000106.9T69I67-T69 PolarHBondContact O-N 3.24Å
68T49.3Very low62.6Low74 Ų74108.2 Ų108.245%0.45462%0.623SS.*  trans-74.8115.517134.60000108.7P66 G70 N119P66-T68 VanDerWaalsContact C-N 3.31Å; P66-T68 PolarHBondContact O-N 3.24Å; T68-G70 PolarHBondContact O-N 2.94Å; T68-N119 PolarHBondContact OG1-OD1 3.49Å
69T53.1Low65.3Low134 Ų134101.3 Ų101.382%0.82260%0.601SS**  trans-6476.6164.3360000109.3I67I67-T69 PolarHBondContact O-N 3.24Å
70G65.3Low67.7Low26 Ų2696.1 Ų96.127%0.26858%0.576SS.*PPolyproline II helixtrans-80.3134.617700000111.1T68 G122T68-G70 PolarHBondContact O-N 2.94Å; G70-G122 VanDerWaalsContact CA-O 3.26Å; G70-G122 WeakPolarHBondContact CA-O 2.98Å
71Y83.6Confident70.4Confident143 Ų14393.7 Ų93.756%0.56156%0.557SS**PPolyproline II helixtrans-66.7157.116861.5-83.9000110.5V73 K123 S124Y71-V73 HydrophobicContact CD2-CG2 3.83Å; Y71-V73 HydrophobicContact CE2-CG2 3.44Å; Y71-V73 VanDerWaalsContact CE2-CG2 3.44Å; Y71-K123 HydrophobicContact CE1-CD 4.19Å; Y71-K123 HydrophobicContact CE1-CG 4.18Å; Y71-K123 HydrophobicContact CE2-CD 4.31Å; Y71-K123 WeakPolarHBondContact OH-CD 3.35Å; Y71-K123 WeakPolarHBondContact OH-CE 3.45Å; Y71-K123 PolarHBondContact OH-NZ 3.2Å; Y71-S124 PolarHBondContact O-N 3.38Å
72T90.1Very high73.2Confident79 Ų7991.4 Ų91.449%0.48553%0.53SS..EExtended strand (participates in β ladder)trans-97.1122.3177.6-58.30000110.2S124 S126T72-S124 CarbonylContact C-O 3.58Å; T72-S124 WeakPolarHBondContact CA-O 3.3Å; T72-S126 WeakPolarHBondContact CG2-OG 3.38Å
73V92.7Very high75.7Confident44 Ų4489.2 Ų89.227%0.26751%0.509SS..EExtended strand (participates in β ladder)trans-91.9126176.8-179.90000109.3Y71 I75 K123 S124 Y125 S126Y71-V73 HydrophobicContact CD2-CG2 3.83Å; Y71-V73 HydrophobicContact CE2-CG2 3.44Å; Y71-V73 VanDerWaalsContact CE2-CG2 3.44Å; V73-I75 PolarHBondContact O-N 2.78Å; V73-K123 HydrophobicContact CG2-CD 4.49Å; V73-S124 PolarHBondContact N-O 2.89Å; V73-Y125 HydrophobicContact CB-CD1 3.78Å; V73-Y125 HydrophobicContact CB-CE1 3.97Å; V73-Y125 HydrophobicContact CB-CG 4.41Å; V73-Y125 HydrophobicContact CG1-CD1 4.01Å; V73-Y125 HydrophobicContact CG1-CE1 4.04Å; V73-Y125 HydrophobicContact CG2-CE1 4.35Å; V73-Y125 CarbonylContact O-C 3.58Å; V73-Y125 VanDerWaalsContact O-CA 3.26Å; V73-Y125 WeakPolarHBondContact O-CA 3.45Å; V73-S126 PolarHBondContact O-N 3.27Å
74K94.4Very high78.3Confident168 Ų16887.4 Ų87.473%0.7349%0.494SS*.EExtended strand (participates in β ladder)trans-70.9124.4171.2-174.5179.2178.1-177.50109.9S76 S126K74-S76 PolarHBondContact O-N 3.43Å; K74-S126 CarbonylContact C-O 3.5Å; K74-S126 WeakPolarHBondContact CA-O 3.22Å
75I94.1Very high81.3Confident15 Ų1585.7 Ų85.78%0.07748%0.475CS..  trans-75.8113.2172.9-60.8161.9000107.8V73 I91 L93 L115 Y125 S126 M127V73-I75 PolarHBondContact O-N 2.78Å; I75-I91 HydrophobicContact CD1-CG2 4.08Å; I75-I91 HydrophobicContact CG2-CG2 3.78Å; I75-L93 HydrophobicContact CD1-CD1 4.26Å; I75-L115 HydrophobicContact CD1-CD2 4.15Å; I75-Y125 HydrophobicContact CG1-CD1 4.34Å; I75-S126 PolarHBondContact N-O 3.18Å; I75-M127 HydrophobicContact CB-CB 3.98Å; I75-M127 HydrophobicContact CB-CG 4.46Å; I75-M127 HydrophobicContact CD1-CB 3.96Å; I75-M127 HydrophobicContact CG2-CB 4.47Å; I75-M127 HydrophobicContact CG2-SD 4.12Å
76S90.4Very high83.8Confident101 Ų10184.9 Ų84.971%0.70646%0.458SS*.  trans-106.7-26.817552.90000113K74K74-S76 PolarHBondContact O-N 3.43Å
77N91.1Very high86.5Confident139 Ų13980.2 Ų80.274%0.74343%0.428SS*.  trans-96.6113.6-178.5-167.811.5000110.6
78Y95.8Very high89.2Confident82 Ų8275.7 Ų75.732%0.32240%0.403SS..  trans-151.6148.6175.659.3-91.4000109.7I89 Y90 M127 L166Y78-I89 HydrophobicContact CD2-CG2 3.91Å; Y78-I89 HydrophobicContact CG-CG2 4.29Å; Y78-Y90 WeakPolarHBondContact CA-O 3.34Å; Y78-Y90 WeakPolarHBondContact CB-O 3.5Å; Y78-M127 HydrophobicContact CD1-CE 3.35Å; Y78-M127 HydrophobicContact CD1-SD 4.02Å; Y78-M127 HydrophobicContact CD2-CE 3.81Å; Y78-M127 HydrophobicContact CE1-CE 3.49Å; Y78-M127 VanDerWaalsContact CE1-CE 3.49Å; Y78-M127 HydrophobicContact CE2-CE 3.95Å; Y78-M127 HydrophobicContact CG-CE 3.52Å; Y78-M127 HydrophobicContact CG-SD 4.27Å; Y78-L166 HydrophobicContact CE2-CD2 3.6Å
79G96.1Very high91.6Very high37 Ų3772.1 Ų72.138%0.38138%0.381SS..EExtended strand (participates in β ladder)trans-99.7155.2167.800000110I89 Y90G79-I89 CarbonylContact O-C 3.48Å; G79-I89 WeakPolarHBondContact O-CA 3.48Å; G79-Y90 PolarHBondContact N-O 3.02Å; G79-Y90 PolarHBondContact O-N 3.33Å
80W97.8Very high93.7Very high73 Ų7369.3 Ų69.328%0.27736%0.356SS..EExtended strand (participates in β ladder)trans-141.9147.8169.671.8-81.5000111.2V87 K88 I89 W163 L166W80-V87 HydrophobicContact CE3-CG1 4.03Å; W80-V87 HydrophobicContact CZ3-CG1 4.49Å; W80-K88 CarbonylContact C-O 3.34Å; W80-K88 WeakPolarHBondContact CA-O 3.46Å; W80-K88 WeakPolarHBondContact CB-O 2.71Å; W80-I89 HydrophobicContact CB-CG1 4.19Å; W80-W163 HydrophobicContact CH2-CB 4.34Å; W80-W163 HydrophobicContact CZ3-CB 4.24Å; W80-L166 HydrophobicContact CD2-CB 4.08Å; W80-L166 HydrophobicContact CD2-CD1 4.06Å; W80-L166 HydrophobicContact CD2-CG 4.5Å; W80-L166 HydrophobicContact CE3-CD1 4.13Å; W80-L166 HydrophobicContact CG-CB 4.43Å; W80-L166 HydrophobicContact CG-CD1 4.26Å; W80-L166 HydrophobicContact CG-CD2 4.26Å; W80-L166 HydrophobicContact CZ2-CB 4.02Å
81D97.7Very high95.2Very high57 Ų5768 Ų6831%0.30534%0.343SS..EExtended strand (participates in β ladder)trans-135.2-179.9171.577.736.4000110.4K88 Y90D81-K88 PolarHBondContact N-O 2.83Å; D81-K88 PolarHBondContact O-N 3.47Å; D81-K88 WeakPolarHBondContact OD1-CB 3.13Å; D81-K88 WeakPolarHBondContact OD1-CD 3.45Å; D81-K88 WeakPolarHBondContact OD1-CG 3.06Å; D81-K88 IonicContact OD1-NZ 3.96Å; D81-Y90 HydrophobicContact CB-CE2 4.24Å; D81-Y90 WeakPolarHBondContact OD2-CE2 3.27Å; D81-Y90 VanDerWaalsContact OD2-CZ 3.24Å; D81-Y90 PolarHBondContact OD2-OH 3.45Å
82Q97.5Very high95.8Very high53 Ų5366.1 Ų66.125%0.24835%0.346CS..EExtended strand (participates in β ladder)trans-143.9153.9172.266.6-174.9-44.700111.9F86 V87 W163Q82-F86 CarbonylContact C-O 3.57Å; Q82-F86 VanDerWaalsContact CA-O 3.29Å; Q82-F86 WeakPolarHBondContact CA-O 3.26Å; Q82-V87 HydrophobicContact CB-CG2 4.45Å; Q82-W163 PolarHBondContact NE2-O 3.13Å
83S96.8Very high96Very high46 Ų4663 Ų6332%0.32233%0.327SS..  trans-118-175.3161.569.10000109.8K85 F86 K156S83-K85 PolarHBondContact O-N 2.94Å; S83-F86 PolarHBondContact N-O 3.16Å; S83-F86 PolarHBondContact OG-N 3.02Å; S83-K156 WeakPolarHBondContact O-CE 3.46Å; S83-K156 PolarHBondContact O-NZ 3.29Å
84D96.4Very high96.1Very high104 Ų10464.6 Ų64.656%0.55634%0.34SS*.SBendtrans-58.8-30.8177.1-62.4-27.6000113.4N160D84-N160 WeakPolarHBondContact CB-OD1 3.47Å; D84-N160 PolarHBondContact O-N 2.96Å
85K97.5Very high96.1Very high106 Ų10657.1 Ų57.146%0.46131%0.31SS..SBendtrans-106-28.1-174.5-63.4-172.2177.1-176.30114.6S83 K156 E159S83-K85 PolarHBondContact O-N 2.94Å; K85-K156 PolarHBondContact O-N 2.84Å; K85-E159 WeakPolarHBondContact CE-OE2 3.45Å; K85-E159 HydrophobicContact CG-CG 4.47Å
86F97.9Very high96.1Very high55 Ų5556.4 Ų56.424%0.24131%0.306CS..EExtended strand (participates in β ladder)trans-132146.4-170.9-65.3-87000112.3Q82 S83 K88 L153 C154 R155Q82-F86 CarbonylContact C-O 3.57Å; Q82-F86 VanDerWaalsContact CA-O 3.29Å; Q82-F86 WeakPolarHBondContact CA-O 3.26Å; S83-F86 PolarHBondContact N-O 3.16Å; S83-F86 PolarHBondContact OG-N 3.02Å; F86-K88 HydrophobicContact CB-CG 4.31Å; F86-L153 HydrophobicContact CD1-CB 4.22Å; F86-C154 CarbonylContact C-O 3.44Å; F86-C154 WeakPolarHBondContact CA-O 3.5Å; F86-R155 HydrophobicContact CD1-CB 3.92Å; F86-R155 HydrophobicContact CD1-CG 4.36Å; F86-R155 HydrophobicContact CE1-CB 3.63Å; F86-R155 HydrophobicContact CE1-CG 3.92Å; F86-R155 HydrophobicContact CZ-CB 4.47Å; F86-R155 HydrophobicContact CZ-CG 4.3Å
87V98.2Very high96.3Very high1 Ų155.4 Ų55.41%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-96.8129.6156.1179.50000106.7W80 Q82 I89 C154 K156 W163 L166W80-V87 HydrophobicContact CE3-CG1 4.03Å; W80-V87 HydrophobicContact CZ3-CG1 4.49Å; Q82-V87 HydrophobicContact CB-CG2 4.45Å; V87-I89 HydrophobicContact CG1-CD1 4.2Å; V87-C154 HydrophobicContact CB-CB 4.26Å; V87-C154 PolarHBondContact N-O 2.8Å; V87-C154 PolarHBondContact O-N 2.94Å; V87-K156 HydrophobicContact CG2-CG 4.13Å; V87-W163 HydrophobicContact CG1-CE3 4.47Å; V87-W163 HydrophobicContact CG2-CD2 3.63Å; V87-W163 HydrophobicContact CG2-CE3 3.9Å; V87-W163 HydrophobicContact CG2-CG 4.1Å; V87-W163 HydrophobicContact CG2-CH2 4.08Å; V87-W163 HydrophobicContact CG2-CZ2 3.85Å; V87-W163 HydrophobicContact CG2-CZ3 4.12Å; V87-L166 HydrophobicContact CG1-CD1 3.91Å
88K98.1Very high96.4Very high52 Ų5255.8 Ų55.823%0.22629%0.288CS..EExtended strand (participates in β ladder)trans-117.4129.2-175.3-45.6-172.3-162.2135.40109.9W80 D81 F86 Y90 L151 I152 L153W80-K88 CarbonylContact C-O 3.34Å; W80-K88 WeakPolarHBondContact CA-O 3.46Å; W80-K88 WeakPolarHBondContact CB-O 2.71Å; D81-K88 PolarHBondContact N-O 2.83Å; D81-K88 PolarHBondContact O-N 3.47Å; D81-K88 WeakPolarHBondContact OD1-CB 3.13Å; D81-K88 WeakPolarHBondContact OD1-CD 3.45Å; D81-K88 WeakPolarHBondContact OD1-CG 3.06Å; D81-K88 IonicContact OD1-NZ 3.96Å; F86-K88 HydrophobicContact CB-CG 4.31Å; K88-Y90 HydrophobicContact CB-CE2 3.98Å; K88-L151 HydrophobicContact CB-CD1 4.06Å; K88-I152 CarbonylContact C-O 3.57Å; K88-I152 WeakPolarHBondContact CA-O 3.37Å; K88-L153 HydrophobicContact CB-CD2 4.39Å; K88-L153 HydrophobicContact CD-CD2 3.96Å; K88-L153 HydrophobicContact CG-CD2 3.82Å
89I98.2Very high96.3Very high0 Ų052.9 Ų52.90%028%0.278CS..EExtended strand (participates in β ladder)trans-115.2124.8178.5-53.585.3000108.2Y78 G79 W80 V87 I91 F113 M127 L151 I152 L166Y78-I89 HydrophobicContact CD2-CG2 3.91Å; Y78-I89 HydrophobicContact CG-CG2 4.29Å; G79-I89 CarbonylContact O-C 3.48Å; G79-I89 WeakPolarHBondContact O-CA 3.48Å; W80-I89 HydrophobicContact CB-CG1 4.19Å; V87-I89 HydrophobicContact CG1-CD1 4.2Å; I89-I91 HydrophobicContact CG2-CD1 4.23Å; I89-I91 HydrophobicContact CG2-CG1 4.03Å; I89-F113 HydrophobicContact CB-CZ 4.45Å; I89-F113 HydrophobicContact CD1-CE1 3.87Å; I89-F113 HydrophobicContact CD1-CZ 4.07Å; I89-F113 HydrophobicContact CG1-CE1 4.2Å; I89-F113 HydrophobicContact CG1-CZ 4.02Å; I89-F113 HydrophobicContact CG2-CZ 4.48Å; I89-M127 HydrophobicContact CG2-CE 4.04Å; I89-L151 WeakPolarHBondContact O-CA 3.44Å; I89-I152 HydrophobicContact CB-CB 4.15Å; I89-I152 HydrophobicContact CD1-CB 4.27Å; I89-I152 HydrophobicContact CD1-CG2 4.32Å; I89-I152 PolarHBondContact N-O 2.87Å; I89-I152 PolarHBondContact O-N 2.9Å; I89-L166 HydrophobicContact CG1-CD1 4.49Å
90Y97.9Very high96.1Very high74 Ų7454.4 Ų54.429%0.2928%0.282SS..EExtended strand (participates in β ladder)trans-105.6120.6-178.4-57.5-92.7000109.5Y78 G79 D81 K88 L151Y78-Y90 WeakPolarHBondContact CA-O 3.34Å; Y78-Y90 WeakPolarHBondContact CB-O 3.5Å; G79-Y90 PolarHBondContact N-O 3.02Å; G79-Y90 PolarHBondContact O-N 3.33Å; D81-Y90 HydrophobicContact CB-CE2 4.24Å; D81-Y90 WeakPolarHBondContact OD2-CE2 3.27Å; D81-Y90 VanDerWaalsContact OD2-CZ 3.24Å; D81-Y90 PolarHBondContact OD2-OH 3.45Å; K88-Y90 HydrophobicContact CB-CE2 3.98Å; Y90-L151 HydrophobicContact CD1-CD1 3.63Å; Y90-L151 HydrophobicContact CE1-CD1 3.5Å; Y90-L151 VanDerWaalsContact CE1-CD1 3.5Å; Y90-L151 HydrophobicContact CE2-CD1 4.45Å; Y90-L151 HydrophobicContact CG-CD1 4.17Å
91I97.3Very high95.7Very high0 Ų056.3 Ų56.30%030%0.301CS..EExtended strand (participates in β ladder)trans-124.9110.3-175.2-58.8163.5000107.6I75 I89 L93 L115 M127 T149 V150 I152I75-I91 HydrophobicContact CD1-CG2 4.08Å; I75-I91 HydrophobicContact CG2-CG2 3.78Å; I89-I91 HydrophobicContact CG2-CD1 4.23Å; I89-I91 HydrophobicContact CG2-CG1 4.03Å; I91-L93 HydrophobicContact CG2-CD1 4.06Å; I91-L93 HydrophobicContact CG2-CG 4.02Å; I91-L93 PolarHBondContact O-N 3.22Å; I91-L115 HydrophobicContact CD1-CD2 3.35Å; I91-M127 HydrophobicContact CD1-SD 3.54Å; I91-M127 VanDerWaalsContact CD1-SD 3.54Å; I91-M127 HydrophobicContact CG1-SD 4.04Å; I91-T149 CarbonylContact O-C 3.45Å; I91-T149 WeakPolarHBondContact O-CA 3.43Å; I91-V150 HydrophobicContact CB-CB 4.35Å; I91-V150 PolarHBondContact N-O 3.47Å; I91-V150 PolarHBondContact O-N 3.03Å; I91-I152 HydrophobicContact CD1-CG1 3.96Å
92T96.2Very high95.5Very high103 Ų10360.3 Ų60.363%0.63232%0.318SS*.EExtended strand (participates in β ladder)trans-80.1115.8-179.5-530000109.9D148T92-D148 WeakPolarHBondContact CA-O 3.37Å
93L95Very high95.3Very high13 Ų1359.1 Ų59.17%0.06831%0.314CS..  trans-139.3100.2178.6-73.4175.4000109I75 I91 G95 V96 V117 L120 Y125 D148 V150I75-L93 HydrophobicContact CD1-CD1 4.26Å; I91-L93 HydrophobicContact CG2-CD1 4.06Å; I91-L93 HydrophobicContact CG2-CG 4.02Å; I91-L93 PolarHBondContact O-N 3.22Å; L93-G95 PolarHBondContact O-N 2.93Å; L93-V96 HydrophobicContact CB-CB 3.82Å; L93-V96 HydrophobicContact CB-CG1 4.1Å; L93-V96 HydrophobicContact CB-CG2 4.33Å; L93-V96 HydrophobicContact CD1-CG2 4.45Å; L93-V96 VanDerWaalsContact O-CB 3.23Å; L93-V96 WeakPolarHBondContact O-CB 3.29Å; L93-V96 WeakPolarHBondContact O-CG1 3.36Å; L93-V96 PolarHBondContact O-N 3.36Å; L93-V96 VanDerWaalsContact O-N 3.07Å; L93-V117 HydrophobicContact CD1-CB 4.36Å; L93-V117 HydrophobicContact CD1-CG2 3.85Å; L93-L120 HydrophobicContact CB-CD2 3.8Å; L93-L120 HydrophobicContact CD1-CD2 4.42Å; L93-L120 HydrophobicContact CD2-CD2 4.27Å; L93-L120 HydrophobicContact CG-CD2 4.38Å; L93-Y125 HydrophobicContact CD2-CD1 3.61Å; L93-Y125 HydrophobicContact CD2-CD2 4.35Å; L93-Y125 HydrophobicContact CD2-CE1 3.89Å; L93-Y125 HydrophobicContact CD2-CG 3.86Å; L93-D148 CarbonylContact C-O 3.48Å; L93-D148 PolarHBondContact N-O 2.85Å; L93-D148 CarbonylContact O-C 3.55Å; L93-D148 WeakPolarHBondContact O-CA 3.31Å; L93-V150 HydrophobicContact CD1-CG2 4.19Å
94S94.8Very high95.2Very high78 Ų7857 Ų5755%0.54530%0.299SS..THydrogen-bonded Turntrans-58.2127.3-179-54.50000111.9V96 N121S94-V96 VanDerWaalsContact C-N 3.34Å; S94-N121 PolarHBondContact O-ND2 3.23Å
95G93.6Very high95.2Very high10 Ų1056 Ų5610%0.10329%0.291CS..THydrogen-bonded Turntrans83.4-0.1-17800000114.8L93 H97 Q98 D148L93-G95 PolarHBondContact O-N 2.93Å; G95-H97 PolarHBondContact O-N 3.42Å; G95-H97 VanDerWaalsContact O-N 3.12Å; G95-Q98 WeakPolarHBondContact O-CB 3.35Å; G95-Q98 PolarHBondContact O-N 3Å; G95-D148 PolarHBondContact N-OD1 3.42Å
96V95Very high95.2Very high0 Ų052.4 Ų52.40%028%0.277CS..G310 helixtrans-63.9-22.2-175.473.40000114L93 S94 Q98 V99 V104 V117 L120 V145 V150L93-V96 HydrophobicContact CB-CB 3.82Å; L93-V96 HydrophobicContact CB-CG1 4.1Å; L93-V96 HydrophobicContact CB-CG2 4.33Å; L93-V96 HydrophobicContact CD1-CG2 4.45Å; L93-V96 VanDerWaalsContact O-CB 3.23Å; L93-V96 WeakPolarHBondContact O-CB 3.29Å; L93-V96 WeakPolarHBondContact O-CG1 3.36Å; L93-V96 PolarHBondContact O-N 3.36Å; L93-V96 VanDerWaalsContact O-N 3.07Å; S94-V96 VanDerWaalsContact C-N 3.34Å; V96-Q98 PolarHBondContact O-N 3.29Å; V96-V99 HydrophobicContact CG2-CG2 4.35Å; V96-V99 WeakPolarHBondContact O-CG2 3.27Å; V96-V104 HydrophobicContact CG2-CG2 4.23Å; V96-V117 HydrophobicContact CG2-CG1 3.99Å; V96-L120 HydrophobicContact CB-CD1 4.49Å; V96-L120 HydrophobicContact CB-CD2 4.29Å; V96-V145 HydrophobicContact CG1-CG1 4.14Å; V96-V150 HydrophobicContact CB-CG2 4.26Å; V96-V150 HydrophobicContact CG1-CG2 3.91Å; V96-V150 HydrophobicContact CG2-CG2 3.49Å; V96-V150 VanDerWaalsContact CG2-CG2 3.49Å
97H93.8Very high95.2Very high80 Ų8055 Ų5537%0.3729%0.29SS..G310 helixtrans-71.5-13173.661.5-77.4000113.6G95 V145 D148G95-H97 PolarHBondContact O-N 3.42Å; G95-H97 VanDerWaalsContact O-N 3.12Å; H97-V145 HydrophobicContact CB-CG1 4.4Å; H97-D148 IonicContact CE1-OD1 2.8Å; H97-D148 PolarHBondContact CE1-OD1 3.24Å; H97-D148 PolarHBondContact ND1-N 3.48Å; H97-D148 IonicContact ND1-OD1 3.99Å; H97-D148 PolarHBondContact ND1-OD1 2.97Å
98Q94Very high95.2Very high147 Ų14755.9 Ų55.969%0.68729%0.294SS*.G310 helixtrans-96.6-13.5-178.8-53.7178.820.400112.4G95 V96G95-Q98 WeakPolarHBondContact O-CB 3.35Å; G95-Q98 PolarHBondContact O-N 3Å; V96-Q98 PolarHBondContact O-N 3.29Å
99V92Very high95.2Very high21 Ų2155.7 Ų55.713%0.12730%0.297CS..SBendtrans-80.3145.9178.2-500000110.5V96 N103 V104 L120V96-V99 HydrophobicContact CG2-CG2 4.35Å; V96-V99 WeakPolarHBondContact O-CG2 3.27Å; V99-N103 HydrophobicContact CB-CB 4.42Å; V99-N103 HydrophobicContact CG2-CB 4.23Å; V99-V104 HydrophobicContact CG2-CG2 3.67Å; V99-L120 HydrophobicContact CG1-CB 4.25Å; V99-L120 HydrophobicContact CG1-CD1 3.64Å
100P92.6Very high95.1Very high69 Ų6960.2 Ų60.245%0.44832%0.318SS..  trans-51.6142.4172.8-28.835.7000112.3E102 N103P100-E102 HydrophobicContact CB-CG 3.68Å; P100-E102 PolarHBondContact O-N 3Å; P100-E102 VanDerWaalsContact O-N 3.14Å; P100-N103 WeakPolarHBondContact O-CB 3.33Å; P100-N103 PolarHBondContact O-N 2.96Å
101T90Very high95.1Very high113 Ų11361.1 Ų61.169%0.69332%0.321SS*.G310 helixtrans-58.3-31.8-178-54.90000112.9N103 V104T101-N103 PolarHBondContact O-N 3.47Å; T101-V104 PolarHBondContact O-N 2.85Å; T101-V104 VanDerWaalsContact O-N 3.1Å
102E92.6Very high95.1Very high142 Ų14262 Ų6266%0.66433%0.328SS*.G310 helixtrans-61.6-24.4174.359.2-176.1-147.400114.2P100 V104 Q105P100-E102 HydrophobicContact CB-CG 3.68Å; P100-E102 PolarHBondContact O-N 3Å; P100-E102 VanDerWaalsContact O-N 3.14Å; E102-V104 VanDerWaalsContact C-N 3.32Å; E102-Q105 VanDerWaalsContact O-CG 3.23Å; E102-Q105 WeakPolarHBondContact O-CG 3.36Å; E102-Q105 PolarHBondContact O-NE2 3.5Å
103N93.5Very high95.2Very high28 Ų2857.1 Ų57.115%0.1530%0.298CS..G310 helixtrans-80.9-14.4177.2-74.6-11000112.4V99 P100 T101 L116 V117 K118V99-N103 HydrophobicContact CB-CB 4.42Å; V99-N103 HydrophobicContact CG2-CB 4.23Å; P100-N103 WeakPolarHBondContact O-CB 3.33Å; P100-N103 PolarHBondContact O-N 2.96Å; T101-N103 PolarHBondContact O-N 3.47Å; N103-L116 VanDerWaalsContact O-O 3.09Å; N103-V117 CarbonylContact O-C 3.57Å; N103-V117 VanDerWaalsContact O-CA 3.25Å; N103-V117 WeakPolarHBondContact O-CA 3.35Å; N103-K118 HydrophobicContact CB-CB 4.07Å; N103-K118 WeakPolarHBondContact CB-O 3.11Å; N103-K118 PolarHBondContact O-N 3.03Å
104V95.2Very high95.2Very high2 Ų259.1 Ų59.11%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-103.190.2175.3-173.30000109V96 V99 T101 E102 L115 V117 K143 V145 V150V96-V104 HydrophobicContact CG2-CG2 4.23Å; V99-V104 HydrophobicContact CG2-CG2 3.67Å; T101-V104 PolarHBondContact O-N 2.85Å; T101-V104 VanDerWaalsContact O-N 3.1Å; E102-V104 VanDerWaalsContact C-N 3.32Å; V104-L115 HydrophobicContact CG1-CD1 4.01Å; V104-V117 HydrophobicContact CG1-CG2 4.3Å; V104-V117 HydrophobicContact CG2-CG1 4.4Å; V104-V117 HydrophobicContact CG2-CG2 4.5Å; V104-K143 HydrophobicContact CG1-CD 4.09Å; V104-K143 WeakPolarHBondContact O-CD 3.34Å; V104-K143 WeakPolarHBondContact O-CE 3.43Å; V104-K143 PolarHBondContact O-NZ 3.36Å; V104-V145 HydrophobicContact CB-CG2 4.37Å; V104-V145 HydrophobicContact CG1-CG2 4.07Å; V104-V145 HydrophobicContact CG2-CG2 4.23Å; V104-V150 HydrophobicContact CG1-CG1 4.3Å
105Q95.9Very high95.4Very high83 Ų8355.5 Ų55.539%0.38828%0.283SS..EExtended strand (participates in β ladder)trans-99.5133.3-176.7-57.2-177.2-0.400109.2E102 L115 L116E102-Q105 VanDerWaalsContact O-CG 3.23Å; E102-Q105 WeakPolarHBondContact O-CG 3.36Å; E102-Q105 PolarHBondContact O-NE2 3.5Å; Q105-L115 WeakPolarHBondContact O-CA 3.23Å; Q105-L115 WeakPolarHBondContact O-CD1 3.38Å; Q105-L116 HydrophobicContact CB-CB 4.44Å; Q105-L116 PolarHBondContact N-O 3.02Å; Q105-L116 PolarHBondContact O-N 3.4Å
106V97Very high95.5Very high29 Ų2957.4 Ų57.418%0.17629%0.29CS..EExtended strand (participates in β ladder)trans-132.3136.417471.10000107.8F108 D114 K143 I152V106-F108 HydrophobicContact CB-CE2 4.33Å; V106-F108 HydrophobicContact CB-CZ 4.39Å; V106-F108 HydrophobicContact CG1-CD2 4.23Å; V106-F108 HydrophobicContact CG1-CE2 3.47Å; V106-F108 VanDerWaalsContact CG1-CE2 3.47Å; V106-F108 HydrophobicContact CG1-CZ 3.88Å; V106-F108 HydrophobicContact CG2-CD1 4.43Å; V106-F108 HydrophobicContact CG2-CD2 4.38Å; V106-F108 HydrophobicContact CG2-CE1 3.87Å; V106-F108 HydrophobicContact CG2-CE2 3.82Å; V106-F108 HydrophobicContact CG2-CZ 3.53Å; V106-D114 CarbonylContact C-O 3.53Å; V106-D114 WeakPolarHBondContact CA-O 3.34Å; V106-D114 VanDerWaalsContact CG2-O 3.3Å; V106-D114 WeakPolarHBondContact CG2-O 3.04Å; V106-K143 HydrophobicContact CB-CD 4.14Å; V106-K143 HydrophobicContact CG1-CB 3.92Å; V106-K143 HydrophobicContact CG1-CD 3.6Å; V106-K143 HydrophobicContact CG1-CG 3.7Å; V106-I152 HydrophobicContact CG2-CD1 4.16Å
107H97.7Very high95.5Very high110 Ų11057.4 Ų57.451%0.50929%0.29SS..EExtended strand (participates in β ladder)trans-124.9131.6170.717682.1000109F113 D114H107-F113 CarbonylContact O-C 3.53Å; H107-F113 WeakPolarHBondContact O-CA 3.46Å; H107-F113 WeakPolarHBondContact O-CB 3.25Å; H107-D114 WeakPolarHBondContact CB-OD1 3.32Å; H107-D114 WeakPolarHBondContact CB-OD2 3.42Å; H107-D114 IonicContact CD2-OD1 3.6Å; H107-D114 PolarHBondContact CD2-OD1 3.34Å; H107-D114 IonicContact CG-OD1 3.49Å; H107-D114 PolarHBondContact N-O 3.03Å; H107-D114 PolarHBondContact O-N 3.16Å
108F98.2Very high95.5Very high20 Ų2057.1 Ų57.19%0.08829%0.288CS..EExtended strand (participates in β ladder)trans-111.7139.1-177-62.7-76.8000109V106 F113 I136 V138 I152V106-F108 HydrophobicContact CB-CE2 4.33Å; V106-F108 HydrophobicContact CB-CZ 4.39Å; V106-F108 HydrophobicContact CG1-CD2 4.23Å; V106-F108 HydrophobicContact CG1-CE2 3.47Å; V106-F108 VanDerWaalsContact CG1-CE2 3.47Å; V106-F108 HydrophobicContact CG1-CZ 3.88Å; V106-F108 HydrophobicContact CG2-CD1 4.43Å; V106-F108 HydrophobicContact CG2-CD2 4.38Å; V106-F108 HydrophobicContact CG2-CE1 3.87Å; V106-F108 HydrophobicContact CG2-CE2 3.82Å; V106-F108 HydrophobicContact CG2-CZ 3.53Å; F108-F113 HydrophobicContact CD1-CB 3.62Å; F108-F113 HydrophobicContact CD1-CG 4.49Å; F108-F113 HydrophobicContact CE1-CB 4.04Å; F108-F113 HydrophobicContact CE1-CG 4.49Å; F108-I136 HydrophobicContact CD1-CD1 4.17Å; F108-V138 HydrophobicContact CB-CG1 4.16Å; F108-V138 WeakPolarHBondContact O-CG1 3.43Å; F108-I152 HydrophobicContact CE1-CG2 3.52Å; F108-I152 HydrophobicContact CZ-CG2 3.84Å
109T97.8Very high95.3Very high48 Ų4853.7 Ų53.729%0.29428%0.275SS..  trans-120-179.8166.581.80000109.3R111 S112 I136 V138T109-R111 PolarHBondContact O-N 3.47Å; T109-R111 PolarHBondContact OG1-N 3.01Å; T109-S112 WeakPolarHBondContact CG2-OG 3.43Å; T109-S112 PolarHBondContact N-O 3.3Å; T109-S112 PolarHBondContact OG1-N 3.36Å; T109-S112 PolarHBondContact OG1-O 3.43Å; T109-S112 PolarHBondContact OG1-OG 2.97Å; T109-I136 WeakPolarHBondContact O-CD1 3.43Å; T109-I136 VanDerWaalsContact O-CG1 3.24Å; T109-I136 WeakPolarHBondContact O-CG1 3.48Å; T109-V138 VanDerWaalsContact C-CG2 3.48Å
110E97.2Very high95.2Very high94 Ų9452.8 Ų52.844%0.43927%0.269SS..SBendtrans-59.4-31.6178.2-176.1174.4-173.600113.1P135 I136 K157E110-P135 HydrophobicContact CG-CB 3.63Å; E110-P135 CarbonylContact O-C 3.48Å; E110-P135 WeakPolarHBondContact O-CA 3.42Å; E110-I136 PolarHBondContact O-N 3.34Å; E110-K157 IonicContact OE1-NZ 3.08Å; E110-K157 PolarHBondContact OE1-NZ 2.9Å
111R97.4Very high95Very high93 Ų9355.4 Ų55.435%0.35128%0.279SS..SBendtrans-13717.1-175.5-71.9-174.1175.1-92.47.3113.9T109 N131 L132 L133 P135 Q168T109-R111 PolarHBondContact O-N 3.47Å; T109-R111 PolarHBondContact OG1-N 3.01Å; R111-N131 PolarHBondContact O-N 2.88Å; R111-L132 PolarHBondContact NH1-O 2.98Å; R111-L132 WeakPolarHBondContact O-CB 3.26Å; R111-L132 WeakPolarHBondContact O-CG 3.23Å; R111-L132 PolarHBondContact O-N 3.39Å; R111-L133 PolarHBondContact NH1-O 3.43Å; R111-P135 HydrophobicContact CG-CB 4.21Å; R111-Q168 VanDerWaalsContact NH1-NE2 3.16Å
112S97.1Very high94.8Very high20 Ų2051.3 Ų51.314%0.1426%0.26CS..  trans-150.8165.7175.969.70000111.2T109 V129T109-S112 WeakPolarHBondContact CG2-OG 3.43Å; T109-S112 PolarHBondContact N-O 3.3Å; T109-S112 PolarHBondContact OG1-N 3.36Å; T109-S112 PolarHBondContact OG1-O 3.43Å; T109-S112 PolarHBondContact OG1-OG 2.97Å; S112-V129 CarbonylContact C-O 3.53Å; S112-V129 WeakPolarHBondContact CA-O 3.38Å; S112-V129 WeakPolarHBondContact CB-O 3.5Å
113F97.9Very high94.7Very high0 Ų048 Ų480%024%0.243CC..EExtended strand (participates in β ladder)trans-146.1153.3162.170.9-92.1000110.3I89 H107 F108 M127 V129 L132 I152I89-F113 HydrophobicContact CB-CZ 4.45Å; I89-F113 HydrophobicContact CD1-CE1 3.87Å; I89-F113 HydrophobicContact CD1-CZ 4.07Å; I89-F113 HydrophobicContact CG1-CE1 4.2Å; I89-F113 HydrophobicContact CG1-CZ 4.02Å; I89-F113 HydrophobicContact CG2-CZ 4.48Å; H107-F113 CarbonylContact O-C 3.53Å; H107-F113 WeakPolarHBondContact O-CA 3.46Å; H107-F113 WeakPolarHBondContact O-CB 3.25Å; F108-F113 HydrophobicContact CD1-CB 3.62Å; F108-F113 HydrophobicContact CD1-CG 4.49Å; F108-F113 HydrophobicContact CE1-CB 4.04Å; F108-F113 HydrophobicContact CE1-CG 4.49Å; F113-M127 HydrophobicContact CE2-CE 4.43Å; F113-M127 HydrophobicContact CZ-CE 4.05Å; F113-V129 HydrophobicContact CD1-CB 4Å; F113-V129 HydrophobicContact CD1-CG2 4.47Å; F113-V129 HydrophobicContact CE1-CB 3.6Å; F113-V129 HydrophobicContact CE1-CG1 4.12Å; F113-V129 HydrophobicContact CE1-CG2 3.68Å; F113-V129 HydrophobicContact CE2-CB 4.48Å; F113-V129 HydrophobicContact CE2-CG2 4.06Å; F113-V129 HydrophobicContact CZ-CB 3.87Å; F113-V129 HydrophobicContact CZ-CG2 3.44Å; F113-V129 VanDerWaalsContact CZ-CG2 3.44Å; F113-V129 PolarHBondContact N-O 2.82Å; F113-V129 PolarHBondContact O-N 3.32Å; F113-L132 HydrophobicContact CD1-CD1 4.45Å; F113-L132 HydrophobicContact CD1-CD2 4.47Å; F113-L132 HydrophobicContact CE1-CD2 4.38Å; F113-I152 HydrophobicContact CD2-CG2 4.18Å; F113-I152 HydrophobicContact CE2-CG1 4.3Å; F113-I152 HydrophobicContact CE2-CG2 4.18Å; F113-I152 HydrophobicContact CG-CG2 4.44Å; F113-I152 HydrophobicContact CZ-CG2 4.43Å
114D96.9Very high94.8Very high55 Ų5547.7 Ų47.729%0.29424%0.243SC..EExtended strand (participates in β ladder)trans-122.6139.9169.759.5-88.8000110.2V106 H107 M127 I128V106-D114 CarbonylContact C-O 3.53Å; V106-D114 WeakPolarHBondContact CA-O 3.34Å; V106-D114 VanDerWaalsContact CG2-O 3.3Å; V106-D114 WeakPolarHBondContact CG2-O 3.04Å; H107-D114 WeakPolarHBondContact CB-OD1 3.32Å; H107-D114 WeakPolarHBondContact CB-OD2 3.42Å; H107-D114 IonicContact CD2-OD1 3.6Å; H107-D114 PolarHBondContact CD2-OD1 3.34Å; H107-D114 IonicContact CG-OD1 3.49Å; H107-D114 PolarHBondContact N-O 3.03Å; H107-D114 PolarHBondContact O-N 3.16Å; D114-M127 CarbonylContact C-O 3.58Å; D114-M127 WeakPolarHBondContact CA-O 3.34Å; D114-I128 HydrophobicContact CB-CG1 4.06Å
115L97.4Very high94.8Very high2 Ų249.8 Ų49.81%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-122.3131.3175.6168.969.3000108.2I75 I91 V104 Q105 V117 S126 M127 V150 I152I75-L115 HydrophobicContact CD1-CD2 4.15Å; I91-L115 HydrophobicContact CD1-CD2 3.35Å; V104-L115 HydrophobicContact CG1-CD1 4.01Å; Q105-L115 WeakPolarHBondContact O-CA 3.23Å; Q105-L115 WeakPolarHBondContact O-CD1 3.38Å; L115-V117 HydrophobicContact CD1-CG2 4.05Å; L115-V117 HydrophobicContact CD2-CG2 4.43Å; L115-V117 HydrophobicContact CG-CG2 4.22Å; L115-S126 CarbonylContact O-C 3.46Å; L115-S126 VanDerWaalsContact O-CA 3.28Å; L115-S126 WeakPolarHBondContact O-CA 3.46Å; L115-M127 HydrophobicContact CB-CB 4.24Å; L115-M127 PolarHBondContact N-O 2.96Å; L115-M127 PolarHBondContact O-N 3.35Å; L115-V150 HydrophobicContact CD1-CG1 4.2Å; L115-V150 HydrophobicContact CD2-CG1 4.17Å; L115-I152 HydrophobicContact CD1-CD1 4.21Å; L115-I152 HydrophobicContact CD2-CD1 4.39Å
116L96.3Very high94.8Very high49 Ų4947.4 Ų47.426%0.25724%0.244SC..EExtended strand (participates in β ladder)trans-129.2120.6172.5178.361.3000109.4N103 Q105 K118 Y125N103-L116 VanDerWaalsContact O-O 3.09Å; Q105-L116 HydrophobicContact CB-CB 4.44Å; Q105-L116 PolarHBondContact N-O 3.02Å; Q105-L116 PolarHBondContact O-N 3.4Å; L116-K118 HydrophobicContact CD2-CD 4.46Å; L116-K118 HydrophobicContact CD2-CG 4.29Å; L116-K118 HydrophobicContact CG-CG 4.08Å; L116-Y125 WeakPolarHBondContact CA-O 3.09Å
117V95.8Very high94.7Very high0 Ų046.2 Ų46.20%024%0.236CC..EExtended strand (participates in β ladder)trans-110.1111.7173.4-178.40000108.1L93 V96 N103 V104 L115 L120 S124 Y125 V150L93-V117 HydrophobicContact CD1-CB 4.36Å; L93-V117 HydrophobicContact CD1-CG2 3.85Å; V96-V117 HydrophobicContact CG2-CG1 3.99Å; N103-V117 CarbonylContact O-C 3.57Å; N103-V117 VanDerWaalsContact O-CA 3.25Å; N103-V117 WeakPolarHBondContact O-CA 3.35Å; V104-V117 HydrophobicContact CG1-CG2 4.3Å; V104-V117 HydrophobicContact CG2-CG1 4.4Å; V104-V117 HydrophobicContact CG2-CG2 4.5Å; L115-V117 HydrophobicContact CD1-CG2 4.05Å; L115-V117 HydrophobicContact CD2-CG2 4.43Å; L115-V117 HydrophobicContact CG-CG2 4.22Å; V117-L120 HydrophobicContact CG1-CB 4.05Å; V117-L120 HydrophobicContact CG1-CD2 4.33Å; V117-S124 CarbonylContact O-C 3.58Å; V117-S124 VanDerWaalsContact O-CA 3.23Å; V117-S124 WeakPolarHBondContact O-CA 3.42Å; V117-Y125 PolarHBondContact N-O 2.75Å; V117-Y125 PolarHBondContact O-N 3.46Å; V117-V150 HydrophobicContact CG2-CG2 4.49Å
118K93.8Very high94.6Very high75 Ų7546.3 Ų46.333%0.32624%0.239SC..EExtended strand (participates in β ladder)trans-92.4146.7-178.7-65.7175.5-177.9162.40111.5N103 L116 L120N103-K118 HydrophobicContact CB-CB 4.07Å; N103-K118 WeakPolarHBondContact CB-O 3.11Å; N103-K118 PolarHBondContact O-N 3.03Å; L116-K118 HydrophobicContact CD2-CD 4.46Å; L116-K118 HydrophobicContact CD2-CG 4.29Å; L116-K118 HydrophobicContact CG-CG 4.08Å; K118-L120 VanDerWaalsContact C-N 3.27Å; K118-L120 PolarHBondContact O-N 2.97Å
119N89.1Confident94.5Very high75 Ų7545.8 Ų45.840%0.40124%0.238SC..EExtended strand (participates in β ladder)trans51.440169-161.626000115T68 K123T68-N119 PolarHBondContact OG1-OD1 3.49Å; N119-K123 CarbonylContact C-O 3.6Å; N119-K123 WeakPolarHBondContact CA-O 3.28Å; N119-K123 PolarHBondContact N-O 3.35Å
120L90.7Very high94.4Very high2 Ų248 Ų481%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-86.5111.8169.617963.7000108.6L93 V96 V99 V117 K118 G122 K123 Y125L93-L120 HydrophobicContact CB-CD2 3.8Å; L93-L120 HydrophobicContact CD1-CD2 4.42Å; L93-L120 HydrophobicContact CD2-CD2 4.27Å; L93-L120 HydrophobicContact CG-CD2 4.38Å; V96-L120 HydrophobicContact CB-CD1 4.49Å; V96-L120 HydrophobicContact CB-CD2 4.29Å; V99-L120 HydrophobicContact CG1-CB 4.25Å; V99-L120 HydrophobicContact CG1-CD1 3.64Å; V117-L120 HydrophobicContact CG1-CB 4.05Å; V117-L120 HydrophobicContact CG1-CD2 4.33Å; K118-L120 VanDerWaalsContact C-N 3.27Å; K118-L120 PolarHBondContact O-N 2.97Å; L120-G122 PolarHBondContact O-N 2.85Å; L120-K123 PolarHBondContact N-O 2.87Å; L120-K123 PolarHBondContact O-N 3.16Å; L120-K123 VanDerWaalsContact O-O 3.1Å; L120-Y125 HydrophobicContact CB-CD2 4.05Å; L120-Y125 HydrophobicContact CB-CE2 3.96Å; L120-Y125 HydrophobicContact CD2-CD2 3.97Å; L120-Y125 HydrophobicContact CD2-CE2 3.81Å; L120-Y125 HydrophobicContact CG-CD2 4.45Å; L120-Y125 HydrophobicContact CG-CE2 4.07Å
121N87.2Confident94.3Very high123 Ų12347.5 Ų47.566%0.65825%0.248SC*.THydrogen-bonded Turntrans52.139.3-176.4-58.8-31.6000113S94 K123S94-N121 PolarHBondContact O-ND2 3.23Å; N121-K123 VanDerWaalsContact C-N 3.26Å; N121-K123 PolarHBondContact O-N 2.88Å
122G86Confident94.3Very high28 Ų2843.1 Ų43.129%0.28923%0.231SC..THydrogen-bonded Turntrans748.6-178.200000115.3G70 L120G70-G122 VanDerWaalsContact CA-O 3.26Å; G70-G122 WeakPolarHBondContact CA-O 2.98Å; L120-G122 PolarHBondContact O-N 2.85Å
123K91.8Very high94.3Very high73 Ų7343.2 Ų43.232%0.31723%0.23SC..EExtended strand (participates in β ladder)trans-121.7155.9177.3-59.2178.2-169.8-175.80110.3Y71 V73 N119 L120 N121 Y125Y71-K123 HydrophobicContact CE1-CD 4.19Å; Y71-K123 HydrophobicContact CE1-CG 4.18Å; Y71-K123 HydrophobicContact CE2-CD 4.31Å; Y71-K123 WeakPolarHBondContact OH-CD 3.35Å; Y71-K123 WeakPolarHBondContact OH-CE 3.45Å; Y71-K123 PolarHBondContact OH-NZ 3.2Å; V73-K123 HydrophobicContact CG2-CD 4.49Å; N119-K123 CarbonylContact C-O 3.6Å; N119-K123 WeakPolarHBondContact CA-O 3.28Å; N119-K123 PolarHBondContact N-O 3.35Å; L120-K123 PolarHBondContact N-O 2.87Å; L120-K123 PolarHBondContact O-N 3.16Å; L120-K123 VanDerWaalsContact O-O 3.1Å; N121-K123 VanDerWaalsContact C-N 3.26Å; N121-K123 PolarHBondContact O-N 2.88Å; K123-Y125 HydrophobicContact CB-CE2 3.96Å
124S93.9Very high94.2Very high21 Ų2146.4 Ų46.415%0.14724%0.244CC..EExtended strand (participates in β ladder)trans-102.9151.4166.9-61.60000109.5Y71 T72 V73 V117Y71-S124 PolarHBondContact O-N 3.38Å; T72-S124 CarbonylContact C-O 3.58Å; T72-S124 WeakPolarHBondContact CA-O 3.3Å; V73-S124 PolarHBondContact N-O 2.89Å; V117-S124 CarbonylContact O-C 3.58Å; V117-S124 VanDerWaalsContact O-CA 3.23Å; V117-S124 WeakPolarHBondContact O-CA 3.42Å
125Y95.6Very high94.3Very high45 Ų4545 Ų4518%0.17624%0.238CC..EExtended strand (participates in β ladder)trans-127.4136.9177.2-65.2-101.1000109.4V73 I75 L93 L116 V117 L120 K123V73-Y125 HydrophobicContact CB-CD1 3.78Å; V73-Y125 HydrophobicContact CB-CE1 3.97Å; V73-Y125 HydrophobicContact CB-CG 4.41Å; V73-Y125 HydrophobicContact CG1-CD1 4.01Å; V73-Y125 HydrophobicContact CG1-CE1 4.04Å; V73-Y125 HydrophobicContact CG2-CE1 4.35Å; V73-Y125 CarbonylContact O-C 3.58Å; V73-Y125 VanDerWaalsContact O-CA 3.26Å; V73-Y125 WeakPolarHBondContact O-CA 3.45Å; I75-Y125 HydrophobicContact CG1-CD1 4.34Å; L93-Y125 HydrophobicContact CD2-CD1 3.61Å; L93-Y125 HydrophobicContact CD2-CD2 4.35Å; L93-Y125 HydrophobicContact CD2-CE1 3.89Å; L93-Y125 HydrophobicContact CD2-CG 3.86Å; L116-Y125 WeakPolarHBondContact CA-O 3.09Å; V117-Y125 PolarHBondContact N-O 2.75Å; V117-Y125 PolarHBondContact O-N 3.46Å; L120-Y125 HydrophobicContact CB-CD2 4.05Å; L120-Y125 HydrophobicContact CB-CE2 3.96Å; L120-Y125 HydrophobicContact CD2-CD2 3.97Å; L120-Y125 HydrophobicContact CD2-CE2 3.81Å; L120-Y125 HydrophobicContact CG-CD2 4.45Å; L120-Y125 HydrophobicContact CG-CE2 4.07Å; K123-Y125 HydrophobicContact CB-CE2 3.96Å
126S95.6Very high94.3Very high33 Ų3345 Ų4523%0.23124%0.238CC..EExtended strand (participates in β ladder)trans-134.1138.7-179.465.50000112.3T72 V73 K74 I75 L115T72-S126 WeakPolarHBondContact CG2-OG 3.38Å; V73-S126 PolarHBondContact O-N 3.27Å; K74-S126 CarbonylContact C-O 3.5Å; K74-S126 WeakPolarHBondContact CA-O 3.22Å; I75-S126 PolarHBondContact N-O 3.18Å; L115-S126 CarbonylContact O-C 3.46Å; L115-S126 VanDerWaalsContact O-CA 3.28Å; L115-S126 WeakPolarHBondContact O-CA 3.46Å
127M95.6Very high94.4Very high5 Ų544.5 Ų44.53%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-130.5135.1171.8-172.8171.6168.300108.8I75 Y78 I89 I91 F113 D114 L115 V129I75-M127 HydrophobicContact CB-CB 3.98Å; I75-M127 HydrophobicContact CB-CG 4.46Å; I75-M127 HydrophobicContact CD1-CB 3.96Å; I75-M127 HydrophobicContact CG2-CB 4.47Å; I75-M127 HydrophobicContact CG2-SD 4.12Å; Y78-M127 HydrophobicContact CD1-CE 3.35Å; Y78-M127 HydrophobicContact CD1-SD 4.02Å; Y78-M127 HydrophobicContact CD2-CE 3.81Å; Y78-M127 HydrophobicContact CE1-CE 3.49Å; Y78-M127 VanDerWaalsContact CE1-CE 3.49Å; Y78-M127 HydrophobicContact CE2-CE 3.95Å; Y78-M127 HydrophobicContact CG-CE 3.52Å; Y78-M127 HydrophobicContact CG-SD 4.27Å; I89-M127 HydrophobicContact CG2-CE 4.04Å; I91-M127 HydrophobicContact CD1-SD 3.54Å; I91-M127 VanDerWaalsContact CD1-SD 3.54Å; I91-M127 HydrophobicContact CG1-SD 4.04Å; F113-M127 HydrophobicContact CE2-CE 4.43Å; F113-M127 HydrophobicContact CZ-CE 4.05Å; D114-M127 CarbonylContact C-O 3.58Å; D114-M127 WeakPolarHBondContact CA-O 3.34Å; L115-M127 HydrophobicContact CB-CB 4.24Å; L115-M127 PolarHBondContact N-O 2.96Å; L115-M127 PolarHBondContact O-N 3.35Å; M127-V129 HydrophobicContact CE-CG2 3.35Å; M127-V129 HydrophobicContact CG-CG2 4.29Å
128I95.8Very high94.5Very high112 Ų11247.8 Ų47.857%0.57426%0.259SS*.EExtended strand (participates in β ladder)trans-130123.5172.6-57.2176.3000106.9D114 N130D114-I128 HydrophobicContact CB-CG1 4.06Å; I128-N130 WeakPolarHBondContact CG2-OD1 3.47Å
129V95.3Very high94.6Very high8 Ų853.3 Ų53.35%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-114.7109173.6-178.90000108.1S112 F113 M127 L132 L166 T167S112-V129 CarbonylContact C-O 3.53Å; S112-V129 WeakPolarHBondContact CA-O 3.38Å; S112-V129 WeakPolarHBondContact CB-O 3.5Å; F113-V129 HydrophobicContact CD1-CB 4Å; F113-V129 HydrophobicContact CD1-CG2 4.47Å; F113-V129 HydrophobicContact CE1-CB 3.6Å; F113-V129 HydrophobicContact CE1-CG1 4.12Å; F113-V129 HydrophobicContact CE1-CG2 3.68Å; F113-V129 HydrophobicContact CE2-CB 4.48Å; F113-V129 HydrophobicContact CE2-CG2 4.06Å; F113-V129 HydrophobicContact CZ-CB 3.87Å; F113-V129 HydrophobicContact CZ-CG2 3.44Å; F113-V129 VanDerWaalsContact CZ-CG2 3.44Å; F113-V129 PolarHBondContact N-O 2.82Å; F113-V129 PolarHBondContact O-N 3.32Å; M127-V129 HydrophobicContact CE-CG2 3.35Å; M127-V129 HydrophobicContact CG-CG2 4.29Å; V129-L132 HydrophobicContact CG1-CD2 3.57Å; V129-L132 HydrophobicContact CG1-CG 4.38Å; V129-L166 HydrophobicContact CG1-CD2 4.41Å; V129-T167 HydrophobicContact CG1-CG2 3.71Å
130N95.4Very high95Very high94 Ų9450.7 Ų50.750%0.50328%0.276SS..  trans-98.7159.7175.2-63.7-37.5000110.4I128 L132I128-N130 WeakPolarHBondContact CG2-OD1 3.47Å; N130-L132 PolarHBondContact O-N 2.84Å
131N95.5Very high95.3Very high84 Ų8451.2 Ų51.245%0.44928%0.28SS..SBendtrans54.250173.2-55-27.4000113.1R111 L133 T167 Q168 V169R111-N131 PolarHBondContact O-N 2.88Å; N131-L133 PolarHBondContact O-N 3.41Å; N131-T167 CarbonylContact O-C 3.56Å; N131-T167 VanDerWaalsContact O-CA 3.25Å; N131-T167 WeakPolarHBondContact O-CA 3.25Å; N131-T167 WeakPolarHBondContact O-CB 3.34Å; N131-Q168 HydrophobicContact CB-CB 4.47Å; N131-Q168 PolarHBondContact O-N 3.41Å; N131-V169 HydrophobicContact CB-CG2 4.5Å
132L97.7Very high95.8Very high1 Ų147.4 Ų47.41%0.00526%0.263CS..BIsolated β-bridgetrans-50.5141.5169.7-69.4174.2000110.3R111 F113 V129 N130 K134 I136 W163 L166R111-L132 PolarHBondContact NH1-O 2.98Å; R111-L132 WeakPolarHBondContact O-CB 3.26Å; R111-L132 WeakPolarHBondContact O-CG 3.23Å; R111-L132 PolarHBondContact O-N 3.39Å; F113-L132 HydrophobicContact CD1-CD1 4.45Å; F113-L132 HydrophobicContact CD1-CD2 4.47Å; F113-L132 HydrophobicContact CE1-CD2 4.38Å; V129-L132 HydrophobicContact CG1-CD2 3.57Å; V129-L132 HydrophobicContact CG1-CG 4.38Å; N130-L132 PolarHBondContact O-N 2.84Å; L132-K134 PolarHBondContact O-N 2.79Å; L132-I136 HydrophobicContact CD1-CD1 3.87Å; L132-I136 HydrophobicContact CD1-CG1 4.17Å; L132-I136 HydrophobicContact CD1-CG2 4.01Å; L132-W163 HydrophobicContact CB-CH2 3.76Å; L132-W163 HydrophobicContact CB-CZ3 3.91Å; L132-W163 HydrophobicContact CD1-CH2 4.31Å; L132-W163 HydrophobicContact CD2-CH2 4.31Å; L132-W163 HydrophobicContact CD2-CZ3 3.99Å; L132-W163 HydrophobicContact CG-CH2 4.35Å; L132-W163 HydrophobicContact CG-CZ3 4.43Å; L132-L166 HydrophobicContact CD2-CD1 4.15Å; L132-L166 HydrophobicContact CD2-CG 4.38Å
133L97Very high96.4Very high22 Ų2249.5 Ų49.512%0.11526%0.264CS..SBendtrans-52.6-45.9-172.7-176.966000111.6R111 N131 W163 Y165 L166 Q168 K171R111-L133 PolarHBondContact NH1-O 3.43Å; N131-L133 PolarHBondContact O-N 3.41Å; L133-W163 HydrophobicContact CB-CD2 4.21Å; L133-W163 HydrophobicContact CB-CE3 3.79Å; L133-W163 HydrophobicContact CB-CZ3 4.17Å; L133-W163 HydrophobicContact CD2-CB 4.07Å; L133-W163 HydrophobicContact CD2-CG 4.36Å; L133-Y165 WeakPolarHBondContact CB-O 3.4Å; L133-Y165 VanDerWaalsContact CD2-O 3.23Å; L133-Y165 WeakPolarHBondContact CD2-O 3.19Å; L133-L166 PolarHBondContact N-O 2.8Å; L133-Q168 HydrophobicContact CD1-CG 4.46Å; L133-Q168 PolarHBondContact O-NE2 3.33Å; L133-K171 HydrophobicContact CD1-CB 4.24Å; L133-K171 HydrophobicContact CD1-CD 3.93Å
134K96.9Very high96.6Very high67 Ų6751.6 Ų51.629%0.29127%0.273SS..SBendtrans-129.6159.4178.8-55.9-174.6176.8173.90110L132 T161 R162 W163L132-K134 PolarHBondContact O-N 2.79Å; K134-T161 HydrophobicContact CD-CG2 3.31Å; K134-R162 PolarHBondContact NZ-O 3.47Å; K134-W163 HydrophobicContact CB-CD2 4.49Å; K134-W163 HydrophobicContact CB-CZ2 3.7Å; K134-W163 WeakPolarHBondContact O-CH2 3.37Å; K134-W163 WeakPolarHBondContact O-CZ2 3.39Å
135P97.5Very high96.7Very high26 Ų2653.3 Ų53.317%0.16928%0.283CS..  trans-72.9153.6-177.329.7-32.9000112.2E110 R111 K157E110-P135 HydrophobicContact CG-CB 3.63Å; E110-P135 CarbonylContact O-C 3.48Å; E110-P135 WeakPolarHBondContact O-CA 3.42Å; R111-P135 HydrophobicContact CG-CB 4.21Å; P135-K157 HydrophobicContact CB-CB 4.2Å; P135-K157 HydrophobicContact CB-CD 3.83Å; P135-K157 HydrophobicContact CG-CB 4.1Å; P135-K157 HydrophobicContact CG-CD 3.95Å; P135-K157 VanDerWaalsContact O-CB 3.24Å; P135-K157 WeakPolarHBondContact O-CB 3.4Å; P135-K157 PolarHBondContact O-N 2.9Å; P135-K157 VanDerWaalsContact O-N 3.08Å
136I98.2Very high96.7Very high3 Ų356.7 Ų56.72%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-118157.2179.264.7166.7000110.3F108 T109 E110 L132 C154 R155 W163F108-I136 HydrophobicContact CD1-CD1 4.17Å; T109-I136 WeakPolarHBondContact O-CD1 3.43Å; T109-I136 VanDerWaalsContact O-CG1 3.24Å; T109-I136 WeakPolarHBondContact O-CG1 3.48Å; E110-I136 PolarHBondContact O-N 3.34Å; L132-I136 HydrophobicContact CD1-CD1 3.87Å; L132-I136 HydrophobicContact CD1-CG1 4.17Å; L132-I136 HydrophobicContact CD1-CG2 4.01Å; I136-C154 HydrophobicContact CB-CB 4.44Å; I136-C154 HydrophobicContact CD1-CB 3.97Å; I136-C154 HydrophobicContact CG2-CB 3.95Å; I136-R155 CarbonylContact C-O 3.59Å; I136-R155 WeakPolarHBondContact CA-O 3.24Å; I136-R155 VanDerWaalsContact CB-O 3.24Å; I136-R155 WeakPolarHBondContact CB-O 3.5Å; I136-W163 HydrophobicContact CG2-CH2 3.92Å; I136-W163 HydrophobicContact CG2-CZ2 4Å
137S97.7Very high96.8Very high37 Ų3759.9 Ų59.926%0.25932%0.316SS..EExtended strand (participates in β ladder)trans-84.6116.4169.8169.20000108.7G140 S141 R155S137-G140 PolarHBondContact O-N 3.22Å; S137-G140 PolarHBondContact OG-N 3.39Å; S137-G140 VanDerWaalsContact OG-N 3.15Å; S137-S141 WeakPolarHBondContact O-CB 3.49Å; S137-S141 PolarHBondContact O-N 3.49Å; S137-S141 PolarHBondContact O-OG 3.42Å; S137-R155 PolarHBondContact N-O 3.34Å
138V97.4Very high96.8Very high70 Ų7062.3 Ų62.342%0.42433%0.33SS..EExtended strand (participates in β ladder)trans-59.4-49.5178.4175.20000110.6F108 T109 G140 S141F108-V138 HydrophobicContact CB-CG1 4.16Å; F108-V138 WeakPolarHBondContact O-CG1 3.43Å; T109-V138 VanDerWaalsContact C-CG2 3.48Å; V138-G140 VanDerWaalsContact C-N 3.31Å; V138-G140 PolarHBondContact O-N 3.03Å; V138-S141 PolarHBondContact O-N 3.33Å; V138-S141 VanDerWaalsContact O-N 3.17Å
139E97Very high96.8Very high191 Ų19158.6 Ų58.689%0.89331%0.312SS*.EExtended strand (participates in β ladder)trans-65.7-32.3-179-62.5177.2-18000113.2
140G97Very high96.9Very high19 Ų1958.2 Ų58.220%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-83.6-11.617700000114.3S137 V138 R155S137-G140 PolarHBondContact O-N 3.22Å; S137-G140 PolarHBondContact OG-N 3.39Å; S137-G140 VanDerWaalsContact OG-N 3.15Å; V138-G140 VanDerWaalsContact C-N 3.31Å; V138-G140 PolarHBondContact O-N 3.03Å; G140-R155 WeakPolarHBondContact O-CB 3.25Å
141S98Very high97Very high13 Ų1354.2 Ų54.29%0.09129%0.289CS..EExtended strand (participates in β ladder)trans-86144.5-178.8-61.80000110.8S137 V138 L153 C154 R155S137-S141 WeakPolarHBondContact O-CB 3.49Å; S137-S141 PolarHBondContact O-N 3.49Å; S137-S141 PolarHBondContact O-OG 3.42Å; V138-S141 PolarHBondContact O-N 3.33Å; V138-S141 VanDerWaalsContact O-N 3.17Å; S141-L153 CarbonylContact C-O 3.55Å; S141-L153 WeakPolarHBondContact CA-O 3.34Å; S141-L153 WeakPolarHBondContact CB-O 3.23Å; S141-C154 WeakPolarHBondContact OG-CA 3.15Å; S141-R155 PolarHBondContact OG-N 2.86Å
142S97.5Very high97.1Very high44 Ų4450.2 Ų50.231%0.30827%0.267SS..EExtended strand (participates in β ladder)trans-151166-173.958.60000111.9L153S142-L153 PolarHBondContact N-O 3.42Å; S142-L153 WeakPolarHBondContact O-CA 3.37Å; S142-L153 WeakPolarHBondContact O-CB 3.33Å; S142-L153 PolarHBondContact O-N 2.8Å
143K97Very high97.1Very high71 Ų7151 Ų5131%0.30927%0.271SS..EExtended strand (participates in β ladder)trans-113.5147.8170.556.3171.7-175.9-1180109.8V104 V106 L151 I152V104-K143 HydrophobicContact CG1-CD 4.09Å; V104-K143 WeakPolarHBondContact O-CD 3.34Å; V104-K143 WeakPolarHBondContact O-CE 3.43Å; V104-K143 PolarHBondContact O-NZ 3.36Å; V106-K143 HydrophobicContact CB-CD 4.14Å; V106-K143 HydrophobicContact CG1-CB 3.92Å; V106-K143 HydrophobicContact CG1-CD 3.6Å; V106-K143 HydrophobicContact CG1-CG 3.7Å; K143-L151 CarbonylContact C-O 3.5Å; K143-L151 WeakPolarHBondContact CA-O 3.33Å; K143-I152 HydrophobicContact CB-CD1 4.03Å
144K96.6Very high97.2Very high117 Ų11750 Ų5051%0.50927%0.266SS..EExtended strand (participates in β ladder)trans-131.5130.5169.3-66.1-174.1-179.1-178.30108.9L151 L153K144-L151 HydrophobicContact CB-CB 4.24Å; K144-L151 PolarHBondContact N-O 2.91Å; K144-L151 PolarHBondContact O-N 3.4Å; K144-L153 HydrophobicContact CD-CD1 3.72Å; K144-L153 VanDerWaalsContact CE-CD1 3.49Å; K144-L153 HydrophobicContact CG-CD1 3.95Å
145V96.7Very high97.2Very high58 Ų5851.4 Ų51.435%0.35227%0.269SS..EExtended strand (participates in β ladder)trans-98.6126.8173.3-175.80000107.8V96 H97 V104V96-V145 HydrophobicContact CG1-CG1 4.14Å; H97-V145 HydrophobicContact CB-CG1 4.4Å; V104-V145 HydrophobicContact CB-CG2 4.37Å; V104-V145 HydrophobicContact CG1-CG2 4.07Å; V104-V145 HydrophobicContact CG2-CG2 4.23Å
146K95.5Very high97.3Very high116 Ų11650.5 Ų50.550%0.50426%0.263SS..EExtended strand (participates in β ladder)trans-119.3172.8173.9-64.5-176177.3-175.60108.8D148 T149K146-D148 PolarHBondContact O-N 2.91Å; K146-T149 PolarHBondContact N-O 2.91Å; K146-T149 PolarHBondContact O-N 3Å; K146-T149 VanDerWaalsContact O-N 3.13Å; K146-T149 VanDerWaalsContact O-O 3.1Å
147T96.5Very high97.2Very high99 Ų9956 Ų5661%0.60729%0.287SS*.THydrogen-bonded Turntrans-50.3119.3170.5-48.20000110T149T147-T149 PolarHBondContact O-N 3.38Å; T147-T149 PolarHBondContact O-OG1 3.22Å
148D95.9Very high97.1Very high57 Ų5758.7 Ų58.731%0.30530%0.301SS..THydrogen-bonded Turntrans51.517.5-179.5-56-30.1000116.9T92 L93 G95 H97 K146T92-D148 WeakPolarHBondContact CA-O 3.37Å; L93-D148 CarbonylContact C-O 3.48Å; L93-D148 PolarHBondContact N-O 2.85Å; L93-D148 CarbonylContact O-C 3.55Å; L93-D148 WeakPolarHBondContact O-CA 3.31Å; G95-D148 PolarHBondContact N-OD1 3.42Å; H97-D148 IonicContact CE1-OD1 2.8Å; H97-D148 PolarHBondContact CE1-OD1 3.24Å; H97-D148 PolarHBondContact ND1-N 3.48Å; H97-D148 IonicContact ND1-OD1 3.99Å; H97-D148 PolarHBondContact ND1-OD1 2.97Å; K146-D148 PolarHBondContact O-N 2.91Å
149T95.9Very high96.9Very high33 Ų3358.6 Ų58.620%0.20230%0.296CS..EExtended strand (participates in β ladder)trans-142.6131.2-174.3-54.70000111.7I91 K146 T147I91-T149 CarbonylContact O-C 3.45Å; I91-T149 WeakPolarHBondContact O-CA 3.43Å; K146-T149 PolarHBondContact N-O 2.91Å; K146-T149 PolarHBondContact O-N 3Å; K146-T149 VanDerWaalsContact O-N 3.13Å; K146-T149 VanDerWaalsContact O-O 3.1Å; T147-T149 PolarHBondContact O-N 3.38Å; T147-T149 PolarHBondContact O-OG1 3.22Å
150V97Very high96.8Very high0 Ų055.4 Ų55.40%029%0.285CS..EExtended strand (participates in β ladder)trans-97.5123.7164-175.10000108.5I91 L93 V96 V104 L115 V117 I152I91-V150 HydrophobicContact CB-CB 4.35Å; I91-V150 PolarHBondContact N-O 3.47Å; I91-V150 PolarHBondContact O-N 3.03Å; L93-V150 HydrophobicContact CD1-CG2 4.19Å; V96-V150 HydrophobicContact CB-CG2 4.26Å; V96-V150 HydrophobicContact CG1-CG2 3.91Å; V96-V150 HydrophobicContact CG2-CG2 3.49Å; V96-V150 VanDerWaalsContact CG2-CG2 3.49Å; V104-V150 HydrophobicContact CG1-CG1 4.3Å; L115-V150 HydrophobicContact CD1-CG1 4.2Å; L115-V150 HydrophobicContact CD2-CG1 4.17Å; V117-V150 HydrophobicContact CG2-CG2 4.49Å; V150-I152 HydrophobicContact CG1-CD1 3.76Å
151L97.5Very high96.7Very high11 Ų1156 Ų566%0.05829%0.285CS..EExtended strand (participates in β ladder)trans-105.8116.3175.917962.1000109.3K88 I89 Y90 K143 K144 L153K88-L151 HydrophobicContact CB-CD1 4.06Å; I89-L151 WeakPolarHBondContact O-CA 3.44Å; Y90-L151 HydrophobicContact CD1-CD1 3.63Å; Y90-L151 HydrophobicContact CE1-CD1 3.5Å; Y90-L151 VanDerWaalsContact CE1-CD1 3.5Å; Y90-L151 HydrophobicContact CE2-CD1 4.45Å; Y90-L151 HydrophobicContact CG-CD1 4.17Å; K143-L151 CarbonylContact C-O 3.5Å; K143-L151 WeakPolarHBondContact CA-O 3.33Å; K144-L151 HydrophobicContact CB-CB 4.24Å; K144-L151 PolarHBondContact N-O 2.91Å; K144-L151 PolarHBondContact O-N 3.4Å; L151-L153 HydrophobicContact CD2-CD2 4.24Å; L151-L153 HydrophobicContact CD2-CG 4.41Å; L151-L153 HydrophobicContact CG-CD2 4.29Å; L151-L153 HydrophobicContact CG-CG 4.23Å
152I98.1Very high96.6Very high0 Ų064 Ų640%031%0.313CS..EExtended strand (participates in β ladder)trans-97123.8173-51.1-57.6000108.2K88 I89 I91 V106 F108 F113 L115 K143 V150K88-I152 CarbonylContact C-O 3.57Å; K88-I152 WeakPolarHBondContact CA-O 3.37Å; I89-I152 HydrophobicContact CB-CB 4.15Å; I89-I152 HydrophobicContact CD1-CB 4.27Å; I89-I152 HydrophobicContact CD1-CG2 4.32Å; I89-I152 PolarHBondContact N-O 2.87Å; I89-I152 PolarHBondContact O-N 2.9Å; I91-I152 HydrophobicContact CD1-CG1 3.96Å; V106-I152 HydrophobicContact CG2-CD1 4.16Å; F108-I152 HydrophobicContact CE1-CG2 3.52Å; F108-I152 HydrophobicContact CZ-CG2 3.84Å; F113-I152 HydrophobicContact CD2-CG2 4.18Å; F113-I152 HydrophobicContact CE2-CG1 4.3Å; F113-I152 HydrophobicContact CE2-CG2 4.18Å; F113-I152 HydrophobicContact CG-CG2 4.44Å; F113-I152 HydrophobicContact CZ-CG2 4.43Å; L115-I152 HydrophobicContact CD1-CD1 4.21Å; L115-I152 HydrophobicContact CD2-CD1 4.39Å; K143-I152 HydrophobicContact CB-CD1 4.03Å; V150-I152 HydrophobicContact CG1-CD1 3.76Å
153L98.1Very high96.6Very high17 Ų1762.1 Ų62.19%0.08930%0.3CS..EExtended strand (participates in β ladder)trans-109.299.9-180-67.6164.7000108.4F86 K88 S141 S142 K144 L151F86-L153 HydrophobicContact CD1-CB 4.22Å; K88-L153 HydrophobicContact CB-CD2 4.39Å; K88-L153 HydrophobicContact CD-CD2 3.96Å; K88-L153 HydrophobicContact CG-CD2 3.82Å; S141-L153 CarbonylContact C-O 3.55Å; S141-L153 WeakPolarHBondContact CA-O 3.34Å; S141-L153 WeakPolarHBondContact CB-O 3.23Å; S142-L153 PolarHBondContact N-O 3.42Å; S142-L153 WeakPolarHBondContact O-CA 3.37Å; S142-L153 WeakPolarHBondContact O-CB 3.33Å; S142-L153 PolarHBondContact O-N 2.8Å; K144-L153 HydrophobicContact CD-CD1 3.72Å; K144-L153 VanDerWaalsContact CE-CD1 3.49Å; K144-L153 HydrophobicContact CG-CD1 3.95Å; L151-L153 HydrophobicContact CD2-CD2 4.24Å; L151-L153 HydrophobicContact CD2-CG 4.41Å; L151-L153 HydrophobicContact CG-CD2 4.29Å; L151-L153 HydrophobicContact CG-CG 4.23Å
154C98.1Very high96.5Very high1 Ų163.6 Ų63.61%0.00731%0.311CS..EExtended strand (participates in β ladder)trans-90.5111.8174.7-64.30000109.2F86 V87 I136 S141 K156F86-C154 CarbonylContact C-O 3.44Å; F86-C154 WeakPolarHBondContact CA-O 3.5Å; V87-C154 HydrophobicContact CB-CB 4.26Å; V87-C154 PolarHBondContact N-O 2.8Å; V87-C154 PolarHBondContact O-N 2.94Å; I136-C154 HydrophobicContact CB-CB 4.44Å; I136-C154 HydrophobicContact CD1-CB 3.97Å; I136-C154 HydrophobicContact CG2-CB 3.95Å; S141-C154 WeakPolarHBondContact OG-CA 3.15Å; C154-K156 PolarHBondContact O-N 3.1Å
155R98.2Very high96.5Very high96 Ų9660 Ų6036%0.36230%0.295SS..EExtended strand (participates in β ladder)trans-73.3126178.1-172.9176.1-175.9171.7-1.8109.6F86 I136 S137 G140 S141 K157 E159F86-R155 HydrophobicContact CD1-CB 3.92Å; F86-R155 HydrophobicContact CD1-CG 4.36Å; F86-R155 HydrophobicContact CE1-CB 3.63Å; F86-R155 HydrophobicContact CE1-CG 3.92Å; F86-R155 HydrophobicContact CZ-CB 4.47Å; F86-R155 HydrophobicContact CZ-CG 4.3Å; I136-R155 CarbonylContact C-O 3.59Å; I136-R155 WeakPolarHBondContact CA-O 3.24Å; I136-R155 VanDerWaalsContact CB-O 3.24Å; I136-R155 WeakPolarHBondContact CB-O 3.5Å; S137-R155 PolarHBondContact N-O 3.34Å; G140-R155 WeakPolarHBondContact O-CB 3.25Å; S141-R155 PolarHBondContact OG-N 2.86Å; R155-K157 PolarHBondContact O-N 3.14Å; R155-E159 IonicContact CZ-OE1 3.38Å; R155-E159 IonicContact NE-OE1 2.73Å; R155-E159 IonicContact NH2-OE1 3.73Å; R155-E159 PolarHBondContact NH2-OE1 2.81Å; R155-E159 VanDerWaalsContact NH2-OE1 3.08Å
156K98.2Very high96.4Very high7 Ų757.2 Ų57.23%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-64133.6178-65.4177.5174.2-179.80109.6S83 K85 V87 C154 V158 T161S83-K156 WeakPolarHBondContact O-CE 3.46Å; S83-K156 PolarHBondContact O-NZ 3.29Å; K85-K156 PolarHBondContact O-N 2.84Å; V87-K156 HydrophobicContact CG2-CG 4.13Å; C154-K156 PolarHBondContact O-N 3.1Å; K156-V158 VanDerWaalsContact C-N 3.28Å; K156-V158 WeakPolarHBondContact CB-O 3.48Å; K156-T161 WeakPolarHBondContact CE-O 3.49Å; K156-T161 PolarHBondContact NZ-O 3.44Å
157K97.2Very high96.4Very high119 Ų11952.8 Ų52.852%0.51726%0.26SS..SBendtrans-67.9-32.6174.9-170.6168.6179.8171.20111.5E110 P135 R155E110-K157 IonicContact OE1-NZ 3.08Å; E110-K157 PolarHBondContact OE1-NZ 2.9Å; P135-K157 HydrophobicContact CB-CB 4.2Å; P135-K157 HydrophobicContact CB-CD 3.83Å; P135-K157 HydrophobicContact CG-CB 4.1Å; P135-K157 HydrophobicContact CG-CD 3.95Å; P135-K157 VanDerWaalsContact O-CB 3.24Å; P135-K157 WeakPolarHBondContact O-CB 3.4Å; P135-K157 PolarHBondContact O-N 2.9Å; P135-K157 VanDerWaalsContact O-N 3.08Å; R155-K157 PolarHBondContact O-N 3.14Å
158V96.1Very high96.3Very high93 Ų9351.3 Ų51.356%0.56425%0.247SC*.SBendtrans-115.3112.6170.4-1730000108.1K156 T161K156-V158 VanDerWaalsContact C-N 3.28Å; K156-V158 WeakPolarHBondContact CB-O 3.48Å; V158-T161 WeakPolarHBondContact CG1-OG1 3.48Å; V158-T161 WeakPolarHBondContact O-CB 3.41Å; V158-T161 PolarHBondContact O-OG1 3.15Å
159E93Very high96.2Very high68 Ų6852 Ų5232%0.31825%0.253SS..THydrogen-bonded Turntrans-65.9164.4177.1-59.2-169.217800110.8K85 R155 T161K85-E159 WeakPolarHBondContact CE-OE2 3.45Å; K85-E159 HydrophobicContact CG-CG 4.47Å; R155-E159 IonicContact CZ-OE1 3.38Å; R155-E159 IonicContact NE-OE1 2.73Å; R155-E159 IonicContact NH2-OE1 3.73Å; R155-E159 PolarHBondContact NH2-OE1 2.81Å; R155-E159 VanDerWaalsContact NH2-OE1 3.08Å; E159-T161 PolarHBondContact O-N 3.4Å; E159-T161 PolarHBondContact O-OG1 3.34Å
160N95.1Very high95.9Very high124 Ų12453.7 Ų53.766%0.66326%0.258SS*.THydrogen-bonded Turntrans58.118.8-179.7-55.2-43000114.8D84D84-N160 WeakPolarHBondContact CB-OD1 3.47Å; D84-N160 PolarHBondContact O-N 2.96Å
161T94.6Very high95.7Very high32 Ų3257.5 Ų57.520%0.19628%0.275CS..  trans-102.1121.2-179-61.90000110.6K134 K156 V158 E159K134-T161 HydrophobicContact CD-CG2 3.31Å; K156-T161 WeakPolarHBondContact CE-O 3.49Å; K156-T161 PolarHBondContact NZ-O 3.44Å; V158-T161 WeakPolarHBondContact CG1-OG1 3.48Å; V158-T161 WeakPolarHBondContact O-CB 3.41Å; V158-T161 PolarHBondContact O-OG1 3.15Å; E159-T161 PolarHBondContact O-N 3.4Å; E159-T161 PolarHBondContact O-OG1 3.34Å
162R95.5Very high95.3Very high181 Ų18161.7 Ų61.768%0.68329%0.294SS*.  trans-75140.9176.3-169.3177.7178.3100.50112.1K134 D164K134-R162 PolarHBondContact NZ-O 3.47Å; R162-D164 IonicContact NE-OD1 3.87Å; R162-D164 PolarHBondContact NE-OD1 3.46Å
163W96.9Very high94.8Very high4 Ų464.9 Ų64.92%0.01532%0.315CS..  trans-110.7113.2172-71.641.3000109.2W80 Q82 V87 L132 L133 K134 I136 Y165 L166W80-W163 HydrophobicContact CH2-CB 4.34Å; W80-W163 HydrophobicContact CZ3-CB 4.24Å; Q82-W163 PolarHBondContact NE2-O 3.13Å; V87-W163 HydrophobicContact CG1-CE3 4.47Å; V87-W163 HydrophobicContact CG2-CD2 3.63Å; V87-W163 HydrophobicContact CG2-CE3 3.9Å; V87-W163 HydrophobicContact CG2-CG 4.1Å; V87-W163 HydrophobicContact CG2-CH2 4.08Å; V87-W163 HydrophobicContact CG2-CZ2 3.85Å; V87-W163 HydrophobicContact CG2-CZ3 4.12Å; L132-W163 HydrophobicContact CB-CH2 3.76Å; L132-W163 HydrophobicContact CB-CZ3 3.91Å; L132-W163 HydrophobicContact CD1-CH2 4.31Å; L132-W163 HydrophobicContact CD2-CH2 4.31Å; L132-W163 HydrophobicContact CD2-CZ3 3.99Å; L132-W163 HydrophobicContact CG-CH2 4.35Å; L132-W163 HydrophobicContact CG-CZ3 4.43Å; L133-W163 HydrophobicContact CB-CD2 4.21Å; L133-W163 HydrophobicContact CB-CE3 3.79Å; L133-W163 HydrophobicContact CB-CZ3 4.17Å; L133-W163 HydrophobicContact CD2-CB 4.07Å; L133-W163 HydrophobicContact CD2-CG 4.36Å; K134-W163 HydrophobicContact CB-CD2 4.49Å; K134-W163 HydrophobicContact CB-CZ2 3.7Å; K134-W163 WeakPolarHBondContact O-CH2 3.37Å; K134-W163 WeakPolarHBondContact O-CZ2 3.39Å; I136-W163 HydrophobicContact CG2-CH2 3.92Å; I136-W163 HydrophobicContact CG2-CZ2 4Å; W163-Y165 VanDerWaalsContact C-N 3.3Å; W163-L166 HydrophobicContact CZ3-CD1 4.35Å; W163-L166 VanDerWaalsContact CZ3-O 3.32Å; W163-L166 WeakPolarHBondContact CZ3-O 3.48Å
164D95.4Very high94.2Very high103 Ų10368.3 Ų68.355%0.55133%0.33SS*.SBendtrans-81.2-18.6178.9-54.1-58.3000112.4R162R162-D164 IonicContact NE-OD1 3.87Å; R162-D164 PolarHBondContact NE-OD1 3.46Å
165Y96.1Very high93.4Very high41 Ų4172.9 Ų72.916%0.16135%0.351CS..SBendtrans-140.8157.8178.8-56.8-78.1000109.2L133 W163 E170 K171 K174L133-Y165 WeakPolarHBondContact CB-O 3.4Å; L133-Y165 VanDerWaalsContact CD2-O 3.23Å; L133-Y165 WeakPolarHBondContact CD2-O 3.19Å; W163-Y165 VanDerWaalsContact C-N 3.3Å; Y165-E170 HydrophobicContact CD1-CB 4.49Å; Y165-E170 HydrophobicContact CD1-CG 3.81Å; Y165-E170 HydrophobicContact CG-CG 4.44Å; Y165-K171 HydrophobicContact CD2-CB 3.49Å; Y165-K171 VanDerWaalsContact CD2-CB 3.49Å; Y165-K171 HydrophobicContact CD2-CD 4.41Å; Y165-K171 HydrophobicContact CD2-CG 3.71Å; Y165-K171 HydrophobicContact CE2-CB 4Å; Y165-K171 HydrophobicContact CE2-CG 3.82Å; Y165-K171 HydrophobicContact CG-CB 3.93Å; Y165-K174 HydrophobicContact CE1-CB 3.76Å; Y165-K174 HydrophobicContact CE1-CG 3.86Å
166L95.8Very high92.4Very high0 Ų076.4 Ų76.40%037%0.369CS..SBendtrans-75.9-38.8177-176.261.3000110.8Y78 W80 V87 I89 V129 L132 L133 W163 E170Y78-L166 HydrophobicContact CE2-CD2 3.6Å; W80-L166 HydrophobicContact CD2-CB 4.08Å; W80-L166 HydrophobicContact CD2-CD1 4.06Å; W80-L166 HydrophobicContact CD2-CG 4.5Å; W80-L166 HydrophobicContact CE3-CD1 4.13Å; W80-L166 HydrophobicContact CG-CB 4.43Å; W80-L166 HydrophobicContact CG-CD1 4.26Å; W80-L166 HydrophobicContact CG-CD2 4.26Å; W80-L166 HydrophobicContact CZ2-CB 4.02Å; V87-L166 HydrophobicContact CG1-CD1 3.91Å; I89-L166 HydrophobicContact CG1-CD1 4.49Å; V129-L166 HydrophobicContact CG1-CD2 4.41Å; L132-L166 HydrophobicContact CD2-CD1 4.15Å; L132-L166 HydrophobicContact CD2-CG 4.38Å; L133-L166 PolarHBondContact N-O 2.8Å; W163-L166 HydrophobicContact CZ3-CD1 4.35Å; W163-L166 VanDerWaalsContact CZ3-O 3.32Å; W163-L166 WeakPolarHBondContact CZ3-O 3.48Å; L166-E170 PolarHBondContact N-OE2 3.23Å
167T96Very high90.9Very high22 Ų2282.1 Ų82.114%0.13540%0.396CS..BIsolated β-bridgetrans-125.4158.1-175.467.50000112.1V129 N131 V169 E170 K171V129-T167 HydrophobicContact CG1-CG2 3.71Å; N131-T167 CarbonylContact O-C 3.56Å; N131-T167 VanDerWaalsContact O-CA 3.25Å; N131-T167 WeakPolarHBondContact O-CA 3.25Å; N131-T167 WeakPolarHBondContact O-CB 3.34Å; T167-V169 VanDerWaalsContact C-N 3.29Å; T167-E170 PolarHBondContact O-N 3.13Å; T167-E170 WeakPolarHBondContact OG1-CB 3.06Å; T167-E170 PolarHBondContact OG1-N 3.42Å; T167-E170 VanDerWaalsContact OG1-N 3.13Å; T167-K171 PolarHBondContact O-N 3.01Å
168Q94.5Very high89.2Confident69 Ų6982.5 Ų82.532%0.32240%0.397SS..Hα-helixtrans-63.6-38.1171.9-63.7-177.1-13.700111.4R111 N131 L133 E170 K171 E172R111-Q168 VanDerWaalsContact NH1-NE2 3.16Å; N131-Q168 HydrophobicContact CB-CB 4.47Å; N131-Q168 PolarHBondContact O-N 3.41Å; L133-Q168 HydrophobicContact CD1-CG 4.46Å; L133-Q168 PolarHBondContact O-NE2 3.33Å; Q168-E170 VanDerWaalsContact C-N 3.32Å; Q168-E170 PolarHBondContact O-N 3.47Å; Q168-K171 WeakPolarHBondContact O-CB 3.25Å; Q168-K171 PolarHBondContact O-N 3.07Å; Q168-E172 WeakPolarHBondContact O-CG 3.38Å; Q168-E172 PolarHBondContact O-N 2.84Å
169V92.1Very high87.3Confident71 Ų7181.7 Ų81.743%0.4339%0.394SS..Hα-helixtrans-60.7-43.5178.3-179.20000110.9N131 T167 K171 E172 C173N131-V169 HydrophobicContact CB-CG2 4.5Å; T167-V169 VanDerWaalsContact C-N 3.29Å; V169-K171 VanDerWaalsContact C-N 3.35Å; V169-K171 PolarHBondContact O-N 3.12Å; V169-E172 PolarHBondContact O-N 2.75Å; V169-C173 WeakPolarHBondContact O-CB 3.44Å; V169-C173 PolarHBondContact O-N 2.73Å; V169-C173 PolarHBondContact O-SG 3.39Å; V169-C173 VanDerWaalsContact O-SG 3.34Å
170E91.4Very high85.5Confident68 Ų6882.2 Ų82.232%0.31841%0.405SS..Hα-helixtrans-62-42.1176.8-173-175.318000112Y165 L166 T167 Q168 K174Y165-E170 HydrophobicContact CD1-CB 4.49Å; Y165-E170 HydrophobicContact CD1-CG 3.81Å; Y165-E170 HydrophobicContact CG-CG 4.44Å; L166-E170 PolarHBondContact N-OE2 3.23Å; T167-E170 PolarHBondContact O-N 3.13Å; T167-E170 WeakPolarHBondContact OG1-CB 3.06Å; T167-E170 PolarHBondContact OG1-N 3.42Å; T167-E170 VanDerWaalsContact OG1-N 3.13Å; Q168-E170 VanDerWaalsContact C-N 3.32Å; Q168-E170 PolarHBondContact O-N 3.47Å; E170-K174 WeakPolarHBondContact O-CB 3.37Å; E170-K174 WeakPolarHBondContact O-CG 3.33Å; E170-K174 PolarHBondContact O-N 2.92Å
171K92.5Very high83.3Confident80 Ų8084.3 Ų84.335%0.34841%0.405SS..Hα-helixtrans-59.2-51.4174.2179.8-177.1173.6-170.80111.2L133 Y165 T167 Q168 V169 C173 K174 E175L133-K171 HydrophobicContact CD1-CB 4.24Å; L133-K171 HydrophobicContact CD1-CD 3.93Å; Y165-K171 HydrophobicContact CD2-CB 3.49Å; Y165-K171 VanDerWaalsContact CD2-CB 3.49Å; Y165-K171 HydrophobicContact CD2-CD 4.41Å; Y165-K171 HydrophobicContact CD2-CG 3.71Å; Y165-K171 HydrophobicContact CE2-CB 4Å; Y165-K171 HydrophobicContact CE2-CG 3.82Å; Y165-K171 HydrophobicContact CG-CB 3.93Å; T167-K171 PolarHBondContact O-N 3.01Å; Q168-K171 WeakPolarHBondContact O-CB 3.25Å; Q168-K171 PolarHBondContact O-N 3.07Å; V169-K171 VanDerWaalsContact C-N 3.35Å; V169-K171 PolarHBondContact O-N 3.12Å; K171-C173 PolarHBondContact O-N 3.06Å; K171-K174 PolarHBondContact O-N 3.2Å; K171-E175 WeakPolarHBondContact CE-OE1 3.31Å; K171-E175 VanDerWaalsContact CE-OE2 3.31Å; K171-E175 WeakPolarHBondContact CE-OE2 3.41Å; K171-E175 HydrophobicContact CG-CG 4.28Å; K171-E175 IonicContact NZ-OE1 3.67Å; K171-E175 WeakPolarHBondContact O-CB 2.91Å; K171-E175 WeakPolarHBondContact O-CG 3.48Å; K171-E175 PolarHBondContact O-N 3.4Å
172E89.4Confident81.3Confident99 Ų9986.9 Ų86.946%0.46342%0.418SS..Hα-helixtrans-62.7-40.6-177.8-71.6171.6-16400112.3Q168 V169 K176Q168-E172 WeakPolarHBondContact O-CG 3.38Å; Q168-E172 PolarHBondContact O-N 2.84Å; V169-E172 PolarHBondContact O-N 2.75Å; E172-K176 WeakPolarHBondContact O-CB 3.39Å; E172-K176 VanDerWaalsContact O-CG 3.24Å; E172-K176 WeakPolarHBondContact O-CG 3.36Å; E172-K176 PolarHBondContact O-N 3.22Å; E172-K176 VanDerWaalsContact O-N 3.15Å
173C85.8Confident79.4Confident67 Ų6784.5 Ų84.545%0.45342%0.424SS..Hα-helixtrans-63.8-45.1174.7-71.40000111.4V169 K171 K176 E177V169-C173 WeakPolarHBondContact O-CB 3.44Å; V169-C173 PolarHBondContact O-N 2.73Å; V169-C173 PolarHBondContact O-SG 3.39Å; V169-C173 VanDerWaalsContact O-SG 3.34Å; K171-C173 PolarHBondContact O-N 3.06Å; C173-K176 PolarHBondContact O-N 3.45Å; C173-E177 WeakPolarHBondContact O-CG 3.4Å; C173-E177 PolarHBondContact O-N 3.19Å; C173-E177 VanDerWaalsContact O-N 3.13Å
174K87.1Confident77.5Confident90 Ų9093 Ų9339%0.39146%0.463SS..Hα-helixtrans-73.6-28-178.3-71.8-73.7166.3-153.70113.8Y165 E170 K171 E177 K178Y165-K174 HydrophobicContact CE1-CB 3.76Å; Y165-K174 HydrophobicContact CE1-CG 3.86Å; E170-K174 WeakPolarHBondContact O-CB 3.37Å; E170-K174 WeakPolarHBondContact O-CG 3.33Å; E170-K174 PolarHBondContact O-N 2.92Å; K171-K174 PolarHBondContact O-N 3.2Å; K174-E177 WeakPolarHBondContact CD-OE2 3.24Å; K174-E177 IonicContact NZ-OE1 3.69Å; K174-E177 IonicContact NZ-OE2 3.94Å; K174-E177 PolarHBondContact NZ-OE2 2.65Å; K174-K178 WeakPolarHBondContact O-CG 3.47Å; K174-K178 PolarHBondContact O-N 3.19Å
175E81.4Confident75.5Confident97 Ų9789.7 Ų89.745%0.45345%0.447SS..Hα-helixtrans-74.7-33.5173.6-75.8179.8164.300112.1K171 K178K171-E175 WeakPolarHBondContact CE-OE1 3.31Å; K171-E175 VanDerWaalsContact CE-OE2 3.31Å; K171-E175 WeakPolarHBondContact CE-OE2 3.41Å; K171-E175 HydrophobicContact CG-CG 4.28Å; K171-E175 IonicContact NZ-OE1 3.67Å; K171-E175 WeakPolarHBondContact O-CB 2.91Å; K171-E175 WeakPolarHBondContact O-CG 3.48Å; K171-E175 PolarHBondContact O-N 3.4Å; E175-K178 PolarHBondContact O-N 3.1Å
176K76.4Confident73.7Confident169 Ų16992.6 Ų92.674%0.73547%0.465SS*.Hα-helixtrans-69.8-34.1172.9-72.1172.6-176.1176.60112.9E172 C173 K178E172-K176 WeakPolarHBondContact O-CB 3.39Å; E172-K176 VanDerWaalsContact O-CG 3.24Å; E172-K176 WeakPolarHBondContact O-CG 3.36Å; E172-K176 PolarHBondContact O-N 3.22Å; E172-K176 VanDerWaalsContact O-N 3.15Å; C173-K176 PolarHBondContact O-N 3.45Å; K176-K178 VanDerWaalsContact C-N 3.32Å
177E67.8Low72.2Confident127 Ų12798 Ų9859%0.59350%0.5SS*.Hα-helixtrans-70.8-24.7176.6-77.1177.4-178.600113.3C173 K174 P179C173-E177 WeakPolarHBondContact O-CG 3.4Å; C173-E177 PolarHBondContact O-N 3.19Å; C173-E177 VanDerWaalsContact O-N 3.13Å; K174-E177 WeakPolarHBondContact CD-OE2 3.24Å; K174-E177 IonicContact NZ-OE1 3.69Å; K174-E177 IonicContact NZ-OE2 3.94Å; K174-E177 PolarHBondContact NZ-OE2 2.65Å; E177-P179 VanDerWaalsContact O-CD 3.25Å; E177-P179 WeakPolarHBondContact O-CD 3.18Å
178K61.3Low70.8Confident127 Ų127101.1 Ų101.155%0.55252%0.523SS*.SBendtrans-70.2119.2175.8-74.9175.6-174.7177.60108.6K174 E175 K176 S180K174-K178 WeakPolarHBondContact O-CG 3.47Å; K174-K178 PolarHBondContact O-N 3.19Å; E175-K178 PolarHBondContact O-N 3.1Å; K176-K178 VanDerWaalsContact C-N 3.32Å; K178-S180 PolarHBondContact O-N 2.97Å
179P55.9Low69.4Low77 Ų77103.2 Ų103.250%0.553%0.533SS..  trans-53.8130.4166.9-18.730.8000107.3E177 Y181E177-P179 VanDerWaalsContact O-CD 3.25Å; E177-P179 WeakPolarHBondContact O-CD 3.18Å; P179-Y181 HydrophobicContact CB-CD2 4.46Å; P179-Y181 PolarHBondContact O-N 3.35Å
180S54Low68.2Low79 Ų79100.6 Ų100.655%0.55252%0.52SS*.  trans-6590.4173.8175.20000106.8K178 D182K178-S180 PolarHBondContact O-N 2.97Å; S180-D182 VanDerWaalsContact C-N 3.34Å; S180-D182 PolarHBondContact O-N 2.87Å
181Y50.6Low67.1Low167 Ų167102.6 Ų102.666%0.65553%0.533SS*.  trans-78.894165.2-105.1-90.4000106.1P179 T183P179-Y181 HydrophobicContact CB-CD2 4.46Å; P179-Y181 PolarHBondContact O-N 3.35Å; Y181-T183 PolarHBondContact O-N 3.41Å
182D51.4Low66.1Low86 Ų86104.6 Ų104.646%0.4655%0.545SS..  trans-75.3102.5166.2-161.8-6.6000106.7S180 E184 T185S180-D182 VanDerWaalsContact C-N 3.34Å; S180-D182 PolarHBondContact O-N 2.87Å; D182-E184 PolarHBondContact O-N 2.84Å; D182-T185 WeakPolarHBondContact CB-OG1 3.24Å; D182-T185 PolarHBondContact O-N 3.24Å; D182-T185 PolarHBondContact O-OG1 2.82Å
183T55.1Low65Low132 Ų132103.5 Ų103.581%0.8154%0.542SS*.THydrogen-bonded Turntrans-72.1-3.3-174.841.70000113.3Y181Y181-T183 PolarHBondContact O-N 3.41Å
184E57.9Low64.2Low182 Ų182102.4 Ų102.485%0.8553%0.533SS*.THydrogen-bonded Turntrans-94-1.8177.4-62.2-110.8143.800112.3D182D182-E184 PolarHBondContact O-N 2.84Å
185T52.2Low63.3Low33 Ų33102.4 Ų102.420%0.20254%0.537CS..SBendtrans-107.8132.7-172.1-33.30000110.5D182 E189D182-T185 WeakPolarHBondContact CB-OG1 3.24Å; D182-T185 PolarHBondContact O-N 3.24Å; D182-T185 PolarHBondContact O-OG1 2.82Å; T185-E189 HydrophobicContact CG2-CB 3.35Å; T185-E189 HydrophobicContact CG2-CG 4.16Å; T185-E189 WeakPolarHBondContact CG2-OE2 3.41Å
186D60Low62.7Low103 Ų103103.5 Ų103.555%0.55154%0.54SS*.  trans-41.9135178.9-176.4-41.2000110.3S188 E189 G190D186-S188 CarbonylContact O-C 3.57Å; D186-S188 PolarHBondContact O-N 3.48Å; D186-S188 WeakPolarHBondContact OD1-CB 3.48Å; D186-S188 PolarHBondContact OD1-N 2.82Å; D186-E189 WeakPolarHBondContact O-CA 3.35Å; D186-E189 PolarHBondContact O-N 3.34Å; D186-G190 PolarHBondContact O-N 3.3Å
187P63Low62.3Low113 Ų11399.7 Ų99.773%0.73452%0.524SS*.Hα-helixtrans-43.4-31.4177.2-30.233.5000114.6L191P187-L191 PolarHBondContact O-N 3.03Å
188S67.2Low62.2Low88 Ų8897.3 Ų97.362%0.61551%0.514SS*.Hα-helixtrans-67.3-44.5174.3-168.20000113.6D186 L191 M192D186-S188 CarbonylContact O-C 3.57Å; D186-S188 PolarHBondContact O-N 3.48Å; D186-S188 WeakPolarHBondContact OD1-CB 3.48Å; D186-S188 PolarHBondContact OD1-N 2.82Å; S188-L191 WeakPolarHBondContact O-CB 3.44Å; S188-L191 PolarHBondContact O-N 3.18Å; S188-M192 PolarHBondContact O-N 3.49Å; S188-M192 VanDerWaalsContact O-N 3.1Å
189E65Low62.3Low113 Ų11395.1 Ų95.153%0.52850%0.503SS..Hα-helixtrans-73.3-36177.1-82.2-168.2143.400112.1T185 D186 L191 M192 N193T185-E189 HydrophobicContact CG2-CB 3.35Å; T185-E189 HydrophobicContact CG2-CG 4.16Å; T185-E189 WeakPolarHBondContact CG2-OE2 3.41Å; D186-E189 WeakPolarHBondContact O-CA 3.35Å; D186-E189 PolarHBondContact O-N 3.34Å; E189-L191 VanDerWaalsContact C-N 3.26Å; E189-L191 PolarHBondContact O-N 2.91Å; E189-M192 WeakPolarHBondContact O-CB 3.32Å; E189-M192 PolarHBondContact O-N 2.94Å; E189-N193 PolarHBondContact O-N 3.18Å
190G66.1Low62.8Low16 Ų1696.6 Ų96.617%0.16550%0.503CS..Hα-helixtrans-58.1-41.7172.200000111.6D186 V194D186-G190 PolarHBondContact O-N 3.3Å; G190-V194 WeakPolarHBondContact O-CG2 3.42Å; G190-V194 PolarHBondContact O-N 2.76Å
191L69Low63.3Low110 Ų110100 Ų10058%0.57652%0.515SS*.Hα-helixtrans-62.3-45172.4-142.597000111.1P187 S188 E189 N193 V194 L195P187-L191 PolarHBondContact O-N 3.03Å; S188-L191 WeakPolarHBondContact O-CB 3.44Å; S188-L191 PolarHBondContact O-N 3.18Å; E189-L191 VanDerWaalsContact C-N 3.26Å; E189-L191 PolarHBondContact O-N 2.91Å; L191-N193 VanDerWaalsContact C-N 3.34Å; L191-N193 PolarHBondContact O-N 2.94Å; L191-V194 PolarHBondContact O-N 2.85Å; L191-L195 HydrophobicContact CD2-CD1 3.9Å; L191-L195 HydrophobicContact CG-CD1 3.95Å; L191-L195 WeakPolarHBondContact O-CD1 3.11Å; L191-L195 PolarHBondContact O-N 3.43Å
192M70.7Confident63.7Low121 Ų12192.4 Ų92.460%0.59649%0.488SS*.Hα-helixtrans-62-39.1-178.9-162.3170.8-169.100112.7S188 E189 L195 K196S188-M192 PolarHBondContact O-N 3.49Å; S188-M192 VanDerWaalsContact O-N 3.1Å; E189-M192 WeakPolarHBondContact O-CB 3.32Å; E189-M192 PolarHBondContact O-N 2.94Å; M192-L195 PolarHBondContact O-N 2.83Å; M192-K196 WeakPolarHBondContact O-CB 3.1Å; M192-K196 PolarHBondContact O-N 2.95Å
193N68Low64.1Low77 Ų7794.2 Ų94.241%0.41250%0.497SS..Hα-helixtrans-66.9-38174.9-87.5-15.1000112.8E189 L191 K196 K197E189-N193 PolarHBondContact O-N 3.18Å; L191-N193 VanDerWaalsContact C-N 3.34Å; L191-N193 PolarHBondContact O-N 2.94Å; N193-K196 PolarHBondContact O-N 3.07Å; N193-K197 PolarHBondContact O-N 3.27Å
194V68.6Low64.7Low43 Ų4392.9 Ų92.926%0.26149%0.485SS..Hα-helixtrans-64.3-46.4173.1173.40000110.5G190 L191 K196 K197 I198G190-V194 WeakPolarHBondContact O-CG2 3.42Å; G190-V194 PolarHBondContact O-N 2.76Å; L191-V194 PolarHBondContact O-N 2.85Å; V194-K196 VanDerWaalsContact C-N 3.31Å; V194-K196 PolarHBondContact O-N 3.12Å; V194-K197 PolarHBondContact O-N 2.84Å; V194-I198 HydrophobicContact CG1-CD1 3.93Å; V194-I198 WeakPolarHBondContact O-CG1 3.34Å; V194-I198 PolarHBondContact O-N 2.93Å
195L68.4Low64.9Low90 Ų9089 Ų8947%0.47147%0.47SS..Hα-helixtrans-60.9-40.2175.9-88.986.3000111.9L191 M192 I198 Y199L191-L195 HydrophobicContact CD2-CD1 3.9Å; L191-L195 HydrophobicContact CG-CD1 3.95Å; L191-L195 WeakPolarHBondContact O-CD1 3.11Å; L191-L195 PolarHBondContact O-N 3.43Å; M192-L195 PolarHBondContact O-N 2.83Å; L195-I198 PolarHBondContact O-N 3.13Å; L195-Y199 WeakPolarHBondContact O-CB 3.48Å; L195-Y199 PolarHBondContact O-N 3.33Å
196K69Low65.5Low120 Ų12092.1 Ų92.152%0.52248%0.484SS..Hα-helixtrans-63.8-43.7178.2-168.8179179.8-171.20111.9M192 N193 V194 Y199 E200M192-K196 WeakPolarHBondContact O-CB 3.1Å; M192-K196 PolarHBondContact O-N 2.95Å; N193-K196 PolarHBondContact O-N 3.07Å; V194-K196 VanDerWaalsContact C-N 3.31Å; V194-K196 PolarHBondContact O-N 3.12Å; K196-Y199 CarbonylContact O-C 3.51Å; K196-Y199 PolarHBondContact O-N 3.17Å; K196-E200 VanDerWaalsContact CE-OE1 3.25Å; K196-E200 WeakPolarHBondContact CE-OE1 3.49Å; K196-E200 WeakPolarHBondContact O-CG 2.79Å; K196-E200 PolarHBondContact O-N 3.21Å
197K67.1Low65.8Low90 Ų9089.8 Ų89.839%0.39147%0.469SS..Hα-helixtrans-64.1-41.9174.4-81.6-169.7172.7-170.60112.6N193 V194 Y199 E200 D201N193-K197 PolarHBondContact O-N 3.27Å; V194-K197 PolarHBondContact O-N 2.84Å; K197-Y199 VanDerWaalsContact C-N 3.25Å; K197-Y199 PolarHBondContact O-N 3.39Å; K197-E200 PolarHBondContact O-N 2.79Å; K197-E200 VanDerWaalsContact O-N 3.16Å; K197-D201 WeakPolarHBondContact O-CB 3.23Å; K197-D201 PolarHBondContact O-N 2.96Å
198I66.6Low66.1Low76 Ų7692.4 Ų92.439%0.3946%0.464SS..Hα-helixtrans-60.9-39174.2-67.9167.9000110.6V194 L195 G202 M206V194-I198 HydrophobicContact CG1-CD1 3.93Å; V194-I198 WeakPolarHBondContact O-CG1 3.34Å; V194-I198 PolarHBondContact O-N 2.93Å; L195-I198 PolarHBondContact O-N 3.13Å; I198-G202 VanDerWaalsContact O-CA 3.27Å; I198-G202 WeakPolarHBondContact O-CA 3.39Å; I198-G202 PolarHBondContact O-N 3.39Å; I198-M206 HydrophobicContact CG2-CE 3.84Å; I198-M206 HydrophobicContact CG2-SD 3.8Å
199Y63.3Low66.3Low81 Ų8192.8 Ų92.832%0.31846%0.463SS..Hα-helixtrans-69.8-34.7175.6-172.9-91.3000112.3L195 K196 K197 K207 I210 N211L195-Y199 WeakPolarHBondContact O-CB 3.48Å; L195-Y199 PolarHBondContact O-N 3.33Å; K196-Y199 CarbonylContact O-C 3.51Å; K196-Y199 PolarHBondContact O-N 3.17Å; K197-Y199 VanDerWaalsContact C-N 3.25Å; K197-Y199 PolarHBondContact O-N 3.39Å; Y199-K207 HydrophobicContact CD2-CB 4.4Å; Y199-K207 HydrophobicContact CD2-CG 4.12Å; Y199-K207 HydrophobicContact CE1-CG 4.37Å; Y199-K207 HydrophobicContact CE2-CB 3.83Å; Y199-K207 HydrophobicContact CE2-CG 3.91Å; Y199-K207 HydrophobicContact CG-CG 4.44Å; Y199-K207 WeakPolarHBondContact O-CE 3.13Å; Y199-K207 WeakPolarHBondContact O-CG 3.41Å; Y199-I210 HydrophobicContact CD2-CB 4.11Å; Y199-I210 HydrophobicContact CD2-CD1 4.15Å; Y199-I210 HydrophobicContact CD2-CG2 3.97Å; Y199-I210 HydrophobicContact CE2-CB 4.42Å; Y199-I210 HydrophobicContact CE2-CG2 4.4Å; Y199-N211 PolarHBondContact OH-ND2 2.72Å; Y199-N211 PolarHBondContact OH-OD1 3.32Å
200E65.7Low66.4Low109 Ų10990 Ų9051%0.50945%0.451SS..Hα-helixtrans-73.8-45.7178.8-74.8171.7-179.700112.1K196 K197 K207K196-E200 VanDerWaalsContact CE-OE1 3.25Å; K196-E200 WeakPolarHBondContact CE-OE1 3.49Å; K196-E200 WeakPolarHBondContact O-CG 2.79Å; K196-E200 PolarHBondContact O-N 3.21Å; K197-E200 PolarHBondContact O-N 2.79Å; K197-E200 VanDerWaalsContact O-N 3.16Å; E200-K207 PolarHBondContact O-NZ 3.19Å; E200-K207 VanDerWaalsContact O-NZ 3.16Å
201D64.8Low66.6Low149 Ų14992.7 Ų92.780%0.79746%0.461SS*.Hα-helixtrans-81.4-16.4-179.9-72-20.1000113.4K197K197-D201 WeakPolarHBondContact O-CB 3.23Å; K197-D201 PolarHBondContact O-N 2.96Å
202G59.2Low67Low8 Ų893.8 Ų93.88%0.08246%0.462CS..SBendtrans-67.2132-179.600000112.7I198 K207I198-G202 VanDerWaalsContact O-CA 3.27Å; I198-G202 WeakPolarHBondContact O-CA 3.39Å; I198-G202 PolarHBondContact O-N 3.39Å; G202-K207 WeakPolarHBondContact O-CD 3.38Å; G202-K207 WeakPolarHBondContact O-CE 3.24Å; G202-K207 PolarHBondContact O-NZ 3.33Å
203D58.7Low67.3Low124 Ų12490.6 Ų90.666%0.66346%0.455SS*.  trans-48.7150.6164.9-173.13.5000110.7D205 M206 K207D203-D205 PolarHBondContact O-N 2.79Å; D203-M206 WeakPolarHBondContact O-CB 3.13Å; D203-M206 PolarHBondContact O-N 2.95Å; D203-K207 PolarHBondContact O-N 2.87Å
204D67.5Low67.6Low105 Ų10595.2 Ų95.256%0.56147%0.466SS*.Hα-helixtrans-53.9-29.9-171-82.4-18.6000112.8R208D204-R208 WeakPolarHBondContact O-CG 3.17Å; D204-R208 PolarHBondContact O-N 2.81Å
205D63.7Low68Low99 Ų9997 Ų9753%0.52948%0.477SS..Hα-helixtrans-71.1-34.3176-82.5-19.4000113.4D203 R208 T209D203-D205 PolarHBondContact O-N 2.79Å; D205-R208 IonicContact OD1-NH1 3.89Å; D205-T209 PolarHBondContact O-N 2.99Å; D205-T209 VanDerWaalsContact O-N 3.1Å; D205-T209 PolarHBondContact O-OG1 2.87Å
206M63.3Low68.3Low99 Ų9997 Ų9749%0.48848%0.475SS..Hα-helixtrans-69.6-42.3174.1-163.4176.1-150.700110.4I198 D203 R208 T209 I210I198-M206 HydrophobicContact CG2-CE 3.84Å; I198-M206 HydrophobicContact CG2-SD 3.8Å; D203-M206 WeakPolarHBondContact O-CB 3.13Å; D203-M206 PolarHBondContact O-N 2.95Å; M206-R208 PolarHBondContact O-N 2.99Å; M206-T209 PolarHBondContact O-N 2.84Å; M206-I210 HydrophobicContact CG-CD1 4.28Å; M206-I210 WeakPolarHBondContact O-CG1 3.41Å; M206-I210 PolarHBondContact O-N 2.88Å
207K67.2Low68.4Low54 Ų5494.4 Ų94.424%0.23547%0.472CS..Hα-helixtrans-58-45.7174.2-72.9171.2174.9149.40111.9Y199 E200 G202 D203 T209 I210 N211Y199-K207 HydrophobicContact CD2-CB 4.4Å; Y199-K207 HydrophobicContact CD2-CG 4.12Å; Y199-K207 HydrophobicContact CE1-CG 4.37Å; Y199-K207 HydrophobicContact CE2-CB 3.83Å; Y199-K207 HydrophobicContact CE2-CG 3.91Å; Y199-K207 HydrophobicContact CG-CG 4.44Å; Y199-K207 WeakPolarHBondContact O-CE 3.13Å; Y199-K207 WeakPolarHBondContact O-CG 3.41Å; E200-K207 PolarHBondContact O-NZ 3.19Å; E200-K207 VanDerWaalsContact O-NZ 3.16Å; G202-K207 WeakPolarHBondContact O-CD 3.38Å; G202-K207 WeakPolarHBondContact O-CE 3.24Å; G202-K207 PolarHBondContact O-NZ 3.33Å; D203-K207 PolarHBondContact O-N 2.87Å; K207-T209 VanDerWaalsContact C-N 3.35Å; K207-T209 PolarHBondContact O-N 2.66Å; K207-I210 PolarHBondContact O-N 3.17Å; K207-N211 WeakPolarHBondContact O-CB 3.48Å; K207-N211 PolarHBondContact O-N 3.39Å; K207-N211 PolarHBondContact O-ND2 3.23Å
208R69.2Low68.7Low169 Ų16999.4 Ų99.464%0.63849%0.488SS*.Hα-helixtrans-60.2-43.4176-78.8174.4178.9171.70.5112.3D204 D205 M206 N211 K212D204-R208 WeakPolarHBondContact O-CG 3.17Å; D204-R208 PolarHBondContact O-N 2.81Å; D205-R208 IonicContact OD1-NH1 3.89Å; M206-R208 PolarHBondContact O-N 2.99Å; R208-N211 PolarHBondContact O-N 2.63Å; R208-K212 WeakPolarHBondContact O-CB 3.38Å; R208-K212 PolarHBondContact O-N 2.85Å
209T71.5Confident69Low96 Ų96100.7 Ų100.759%0.58949%0.492SS*.Hα-helixtrans-66.1-43.3-178.8-55.90000111.6D205 M206 K207 K212 A213D205-T209 PolarHBondContact O-N 2.99Å; D205-T209 VanDerWaalsContact O-N 3.1Å; D205-T209 PolarHBondContact O-OG1 2.87Å; M206-T209 PolarHBondContact O-N 2.84Å; K207-T209 VanDerWaalsContact C-N 3.35Å; K207-T209 PolarHBondContact O-N 2.66Å; T209-K212 PolarHBondContact O-N 3.21Å; T209-A213 PolarHBondContact O-N 2.78Å
210I67.3Low69.2Low54 Ų54104.3 Ų104.328%0.27751%0.51SS..Hα-helixtrans-64.2-45.6177.3-67.7171.6000110.9Y199 M206 K207 K212 A213 W214Y199-I210 HydrophobicContact CD2-CB 4.11Å; Y199-I210 HydrophobicContact CD2-CD1 4.15Å; Y199-I210 HydrophobicContact CD2-CG2 3.97Å; Y199-I210 HydrophobicContact CE2-CB 4.42Å; Y199-I210 HydrophobicContact CE2-CG2 4.4Å; M206-I210 HydrophobicContact CG-CD1 4.28Å; M206-I210 WeakPolarHBondContact O-CG1 3.41Å; M206-I210 PolarHBondContact O-N 2.88Å; K207-I210 PolarHBondContact O-N 3.17Å; I210-K212 VanDerWaalsContact C-N 3.32Å; I210-K212 PolarHBondContact O-N 3.15Å; I210-A213 PolarHBondContact O-N 2.79Å; I210-W214 PolarHBondContact O-N 2.79Å
211N70.8Confident69.2Low72 Ų72105.9 Ų105.939%0.38552%0.517SS..Hα-helixtrans-61.1-42.1177-78.5-29.2000112Y199 K207 R208 A213 W214 V215Y199-N211 PolarHBondContact OH-ND2 2.72Å; Y199-N211 PolarHBondContact OH-OD1 3.32Å; K207-N211 WeakPolarHBondContact O-CB 3.48Å; K207-N211 PolarHBondContact O-N 3.39Å; K207-N211 PolarHBondContact O-ND2 3.23Å; R208-N211 PolarHBondContact O-N 2.63Å; N211-A213 VanDerWaalsContact C-N 3.34Å; N211-A213 PolarHBondContact O-N 2.86Å; N211-W214 PolarHBondContact O-N 2.83Å; N211-V215 WeakPolarHBondContact O-CG2 3.42Å; N211-V215 PolarHBondContact O-N 3.08Å
212K77.5Confident69.3Low134 Ų134102.7 Ų102.758%0.58351%0.512SS*.Hα-helixtrans-60.5-45176.7-173.1176.2175.7-178.60111.2R208 T209 I210 W214 V215 E216R208-K212 WeakPolarHBondContact O-CB 3.38Å; R208-K212 PolarHBondContact O-N 2.85Å; T209-K212 PolarHBondContact O-N 3.21Å; I210-K212 VanDerWaalsContact C-N 3.32Å; I210-K212 PolarHBondContact O-N 3.15Å; K212-W214 PolarHBondContact O-N 3.38Å; K212-V215 PolarHBondContact O-N 3.44Å; K212-E216 WeakPolarHBondContact CE-OE1 3.34Å; K212-E216 HydrophobicContact CG-CG 4.47Å; K212-E216 WeakPolarHBondContact O-CB 3.37Å; K212-E216 WeakPolarHBondContact O-CG 3.43Å; K212-E216 PolarHBondContact O-N 2.8Å
213A75.6Confident69.5Low54 Ų54109.8 Ų109.845%0.44654%0.54SS..Hα-helixtrans-63.3-39.3177.300000112.7T209 I210 N211 S217T209-A213 PolarHBondContact O-N 2.78Å; I210-A213 PolarHBondContact O-N 2.79Å; N211-A213 VanDerWaalsContact C-N 3.34Å; N211-A213 PolarHBondContact O-N 2.86Å; A213-S217 VanDerWaalsContact O-CB 3.31Å; A213-S217 WeakPolarHBondContact O-CB 3.16Å; A213-S217 PolarHBondContact O-N 3.05Å
214W74.8Confident69.5Low174 Ų174106.5 Ų106.566%0.65954%0.536SS*.Hα-helixtrans-67.2-43.6176.8-106.143.2000112.8I210 N211 K212 S217 R218I210-W214 PolarHBondContact O-N 2.79Å; N211-W214 PolarHBondContact O-N 2.83Å; K212-W214 PolarHBondContact O-N 3.38Å; W214-S217 PolarHBondContact O-N 3.44Å; W214-R218 PolarHBondContact O-N 2.85Å
215V76.7Confident68.8Low79 Ų79109 Ų10948%0.47955%0.549SS..Hα-helixtrans-64.8-46.7176.5172.80000110.4N211 K212 S217 R218 E219N211-V215 WeakPolarHBondContact O-CG2 3.42Å; N211-V215 PolarHBondContact O-N 3.08Å; K212-V215 PolarHBondContact O-N 3.44Å; V215-S217 VanDerWaalsContact C-N 3.3Å; V215-S217 PolarHBondContact O-N 2.88Å; V215-R218 PolarHBondContact O-N 2.78Å; V215-E219 HydrophobicContact CG1-CG 4.29Å; V215-E219 WeakPolarHBondContact O-CB 3.33Å; V215-E219 WeakPolarHBondContact O-CG 3.32Å; V215-E219 PolarHBondContact O-N 2.82Å
216E74.4Confident67.9Low91 Ų91109.6 Ų109.643%0.42556%0.556SS.*Hα-helixtrans-62.5-36.2177.8-76.3179.8-176.100112.4K212 K220K212-E216 WeakPolarHBondContact CE-OE1 3.34Å; K212-E216 HydrophobicContact CG-CG 4.47Å; K212-E216 WeakPolarHBondContact O-CB 3.37Å; K212-E216 WeakPolarHBondContact O-CG 3.43Å; K212-E216 PolarHBondContact O-N 2.8Å; E216-K220 WeakPolarHBondContact O-CB 3.34Å; E216-K220 VanDerWaalsContact O-CG 3.29Å; E216-K220 WeakPolarHBondContact O-CG 3.43Å; E216-K220 PolarHBondContact O-N 2.57Å
217S72.4Confident66.8Low66 Ų66113.5 Ų113.546%0.46257%0.574SS.*Hα-helixtrans-68.4-45.3175.9-169.80000112.1A213 W214 V215 E219 K220 Q221A213-S217 VanDerWaalsContact O-CB 3.31Å; A213-S217 WeakPolarHBondContact O-CB 3.16Å; A213-S217 PolarHBondContact O-N 3.05Å; W214-S217 PolarHBondContact O-N 3.44Å; V215-S217 VanDerWaalsContact C-N 3.3Å; V215-S217 PolarHBondContact O-N 2.88Å; S217-E219 PolarHBondContact O-N 3.49Å; S217-K220 PolarHBondContact O-N 3.08Å; S217-Q221 PolarHBondContact O-N 3.27Å
218R73.5Confident65.4Low194 Ų194124.5 Ų124.573%0.73262%0.622SS**Hα-helixtrans-64.1-39.7175-98.8-174.972.8-171.12.3112.4W214 V215 Q221 A222W214-R218 PolarHBondContact O-N 2.85Å; V215-R218 PolarHBondContact O-N 2.78Å; R218-Q221 PolarHBondContact O-N 2.74Å; R218-A222 WeakPolarHBondContact O-CB 3.29Å; R218-A222 PolarHBondContact O-N 2.74Å
219E71.7Confident65.3Low103 Ų103122.3 Ų122.348%0.48162%0.621SS.*Hα-helixtrans-68.7-35.4177.3-76.1-171.717700112.3V215 S217 A222 K223V215-E219 HydrophobicContact CG1-CG 4.29Å; V215-E219 WeakPolarHBondContact O-CB 3.33Å; V215-E219 WeakPolarHBondContact O-CG 3.32Å; V215-E219 PolarHBondContact O-N 2.82Å; S217-E219 PolarHBondContact O-N 3.49Å; E219-A222 PolarHBondContact O-N 2.88Å; E219-K223 WeakPolarHBondContact O-CB 3.43Å; E219-K223 WeakPolarHBondContact O-CG 3.42Å; E219-K223 PolarHBondContact O-N 3.3Å
220K68.4Low64.9Low158 Ų158123.6 Ų123.669%0.68762%0.623SS**Hα-helixtrans-68.5-37.9174.2-79.6178.9-179.31780112.6E216 S217 G224E216-K220 WeakPolarHBondContact O-CB 3.34Å; E216-K220 VanDerWaalsContact O-CG 3.29Å; E216-K220 WeakPolarHBondContact O-CG 3.43Å; E216-K220 PolarHBondContact O-N 2.57Å; S217-K220 PolarHBondContact O-N 3.08Å; K220-G224 PolarHBondContact O-N 3.29Å; K220-G224 VanDerWaalsContact O-N 3.16Å
221Q66Low64.8Low141 Ų141127.5 Ų127.566%0.65964%0.642SS**Hα-helixtrans-66.3-42171.9-76.3-177.1-17.900111.5S217 R218 K223 G224S217-Q221 PolarHBondContact O-N 3.27Å; R218-Q221 PolarHBondContact O-N 2.74Å; Q221-K223 VanDerWaalsContact C-N 3.32Å; Q221-K223 PolarHBondContact O-N 3.21Å; Q221-G224 PolarHBondContact O-N 3.02Å
222A65.3Low64.4Low83 Ų83130.8 Ų130.869%0.68666%0.657SS**Hα-helixtrans-69.4-25.3179.300000114.1R218 E219R218-A222 WeakPolarHBondContact O-CB 3.29Å; R218-A222 PolarHBondContact O-N 2.74Å; E219-A222 PolarHBondContact O-N 2.88Å
223K63.4Low63.6Low156 Ų156130.6 Ų130.668%0.67866%0.662SS**Hα-helixtrans-92.8-7.2176.4-74.5177.2177.9168.80113.9E219 Q221E219-K223 WeakPolarHBondContact O-CB 3.43Å; E219-K223 WeakPolarHBondContact O-CG 3.42Å; E219-K223 PolarHBondContact O-N 3.3Å; Q221-K223 VanDerWaalsContact C-N 3.32Å; Q221-K223 PolarHBondContact O-N 3.21Å
224G59.7Low62.8Low55 Ų55135.7 Ų135.757%0.56768%0.676SS**SBendtrans-86.1-9.4-175.600000115.7K220 Q221K220-G224 PolarHBondContact O-N 3.29Å; K220-G224 VanDerWaalsContact O-N 3.16Å; Q221-G224 PolarHBondContact O-N 3.02Å
225D52.3Low62Low157 Ų157132.9 Ų132.984%0.8468%0.677SS**SBendtrans-98.524.5-177.3-82.6-14.7000113.9
226T45.1Very low60.8Low112 Ų112137.1 Ų137.169%0.68769%0.692SS**SBendtrans-129.8116169.437.60000109.2
227E40.2Very low59.7Low182 Ų182140.9 Ų140.985%0.8572%0.715SS**  trans95.868.7179.3-54.1-172.7153.200116.4
228F38.7Very low58.6Low284 Ų284147.7 Ų147.7100%1.24674%0.738SS**  176.90107.1-104.2-82.3000111.4

Retrieved 228 of 228 residues in 1361.9 ms (Link to these results)

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