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Proteasome subunit beta

Non-catalytic component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession A0A077Z894, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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
1M36.7Very low40.4Very low240 Ų240152.8 Ų152.8100%1.18281%0.805SS**  095.30-79.2179.4-174.500107T3M1-T3 PolarHBondContact O-N 3.16Å
2E32.4Very low41.4Very low173 Ų173152.3 Ų152.381%0.80881%0.813SS**  trans-79114.2177.6-76.2176.3149.700109.4
3T39.8Very low42.8Very low134 Ų134154.9 Ų154.982%0.82281%0.812SS**  trans-83.4109.6169.249.90000108.5M1M1-T3 PolarHBondContact O-N 3.16Å
4Y37.4Very low44.2Very low195 Ų195151.7 Ų151.777%0.76580%0.795SS**  trans-63.6131.7171-68.7-87.9000110V6Y4-V6 PolarHBondContact O-N 2.97Å
5P39.6Very low45.3Very low122 Ų122144.2 Ų144.279%0.79276%0.761SS**  trans-66.3122.2171.926.8-30.8000108.6G7P5-G7 PolarHBondContact O-N 3.29Å
6V42Very low47.1Very low144 Ų144144.6 Ų144.687%0.87376%0.757SS**  trans-60.3102.4175.5-157.90000107.7Y4 R8Y4-V6 PolarHBondContact O-N 2.97Å; V6-R8 PolarHBondContact O-N 3.12Å
7G37.1Very low49.1Very low50 Ų50142.9 Ų142.952%0.51575%0.749SS.*  trans-57123.5-18000000110.1P5 F9P5-G7 PolarHBondContact O-N 3.29Å; G7-F9 PolarHBondContact O-N 3.14Å
8R37.9Very low51.2Low253 Ų253137.8 Ų137.896%0.95573%0.726SS**  trans-67.773.8173.5-68.6-179.4176-175.30.4110.3V6 G10V6-R8 PolarHBondContact O-N 3.12Å; R8-G10 PolarHBondContact O-N 3.45Å
9F41.5Very low53.3Low211 Ų211135.9 Ų135.993%0.92572%0.715SS**  trans-78.866.1166.3-81.7-84.2000109.9G7G7-F9 PolarHBondContact O-N 3.14Å
10G51.8Low55.3Low47 Ų47130.3 Ų130.349%0.48569%0.687SS.*SBendtrans-99.7155.6163.900000110R8 T12R8-G10 PolarHBondContact O-N 3.45Å; G10-T12 PolarHBondContact O-N 2.94Å
11P48.4Very low57.1Low112 Ų112125.6 Ų125.673%0.72766%0.664SS**  trans-55.5126.4178.622.1-32.2000111.3K13P11-K13 PolarHBondContact O-N 3.45Å
12T52.3Low59.8Low147 Ų147114.5 Ų114.590%0.90261%0.611SS**SBendtrans-66.7-21-175.3-410000113.2G10G10-T12 PolarHBondContact O-N 2.94Å
13K59.2Low62.6Low186 Ų186107.2 Ų107.281%0.80958%0.579SS**SBendtrans-115.4122.8175.1-69.8-173179.1-177.80109.7P11P11-K13 PolarHBondContact O-N 3.45Å
14L62.4Low65.2Low110 Ų110101.1 Ų101.158%0.57654%0.542SS*.  trans-76.9147.8173-61.8170.9000109.2Q16 N130L14-Q16 PolarHBondContact O-N 3.26Å; L14-Q16 VanDerWaalsContact O-N 3.16Å; L14-N130 HydrophobicContact CD1-CB 4.29Å; L14-N130 WeakPolarHBondContact CD2-ND2 3.47Å
15S60.9Low67.9Low39 Ų3991.8 Ų91.827%0.27351%0.505SS..  trans-59.3118.9172.6-172.40000108.6N130 W133S15-N130 PolarHBondContact O-OD1 3.37Å; S15-W133 WeakPolarHBondContact O-CZ3 3.4Å
16Q73.8Confident70.6Confident150 Ų15086.1 Ų86.170%0.70147%0.468SS*.  trans-108.9-20.2175-71.9-167-21.200112.2L14 W133L14-Q16 PolarHBondContact O-N 3.26Å; L14-Q16 VanDerWaalsContact O-N 3.16Å; Q16-W133 VanDerWaalsContact C-CH2 3.45Å; Q16-W133 WeakPolarHBondContact O-CH2 3.29Å; Q16-W133 WeakPolarHBondContact O-CZ2 3.11Å
17N81.6Confident73.2Confident116 Ų11679.2 Ų79.262%0.6243%0.427SS*.SBendtrans-143.1139-179.3-69-51.5000107.9
18P87.9Confident75.9Confident51 Ų5176.9 Ų76.933%0.33140%0.402SS..  trans-68140.817532.8-36.2000109.5T21 D70 W133P18-T21 HydrophobicContact CB-CG2 3.57Å; P18-T21 HydrophobicContact CG-CG2 4.06Å; P18-D70 WeakPolarHBondContact CA-OD1 3.49Å; P18-D70 HydrophobicContact CB-CB 3.82Å; P18-W133 HydrophobicContact CB-CB 4.03Å; P18-W133 HydrophobicContact CB-CG 4.16Å; P18-W133 HydrophobicContact CG-CG 4.22Å
19I90.4Very high78.6Confident102 Ų10266.7 Ų66.752%0.52337%0.366SS..SBendtrans-107.6-55.3-174.9-62.5-178.7000110.3Y44 D70I19-Y44 HydrophobicContact CG2-CD2 3.58Å; I19-Y44 HydrophobicContact CG2-CE2 3.17Å; I19-D70 PolarHBondContact N-OD1 3.5Å
20C92.6Very high81Confident23 Ų2356.9 Ų56.916%0.15532%0.323CS..EExtended strand (participates in β ladder)trans-113106.5179.1-71.20000108S43 D70 Y71C20-S43 WeakPolarHBondContact CA-O 3.19Å; C20-D70 WeakPolarHBondContact O-CA 3.42Å; C20-Y71 WeakPolarHBondContact O-CB 3.38Å; C20-Y71 PolarHBondContact O-N 3.21Å
21T94Very high82.7Confident32 Ų3258 Ų5820%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-110.3135.4-172.353.50000112.7P18 S43 G69P18-T21 HydrophobicContact CB-CG2 3.57Å; P18-T21 HydrophobicContact CG-CG2 4.06Å; T21-S43 PolarHBondContact N-O 3.45Å; T21-S43 PolarHBondContact O-N 3.48Å; T21-G69 CarbonylContact C-O 3.4Å; T21-G69 VanDerWaalsContact CA-O 3.26Å; T21-G69 WeakPolarHBondContact CA-O 3.14Å
22G92.9Very high84.6Confident7 Ų756.5 Ų56.57%0.07230%0.303CS..EExtended strand (participates in β ladder)trans-84.1146.5158.800000111G69G22-G69 PolarHBondContact N-O 2.81Å; G22-G69 PolarHBondContact O-N 3.48Å
23S91Very high86.5Confident20 Ų2049.5 Ų49.514%0.1426%0.261CS..  trans-79.7-125.1-175.967.50000111.5D39 R55S23-D39 PolarHBondContact OG-OD1 2.72Å; S23-D39 PolarHBondContact OG-OD2 3.03Å; S23-R55 PolarHBondContact OG-NH2 3.16Å
24S94.1Very high88.2Confident6 Ų640.6 Ų40.64%0.04222%0.222CC..  trans-86146.6-176.6-54.80000111.6R55 T167 L169 G170S24-R55 PolarHBondContact O-NH2 2.99Å; S24-T167 WeakPolarHBondContact CA-O 3.42Å; S24-T167 WeakPolarHBondContact CB-O 3.37Å; S24-T167 PolarHBondContact OG-O 3.26Å; S24-L169 PolarHBondContact OG-N 3.37Å; S24-G170 PolarHBondContact OG-N 2.96Å
25V95.2Very high89.8Confident0 Ų035.4 Ų35.40%020%0.195CC..EExtended strand (participates in β ladder)trans-123.3131.3167.1-179.50000107.2I36 A38 V137 A166 T167V25-I36 HydrophobicContact CG1-CD1 3.79Å; V25-I36 HydrophobicContact CG1-CG1 3.77Å; V25-A38 HydrophobicContact CG2-CB 4.16Å; V25-V137 HydrophobicContact CB-CG2 4.31Å; V25-V137 HydrophobicContact CG1-CB 4.28Å; V25-V137 HydrophobicContact CG1-CG2 4.08Å; V25-A166 WeakPolarHBondContact O-CA 3.49Å; V25-T167 WeakPolarHBondContact CA-OG1 3.43Å; V25-T167 WeakPolarHBondContact CB-OG1 3.29Å; V25-T167 PolarHBondContact N-OG1 3.36Å; V25-T167 PolarHBondContact O-N 3.05Å; V25-T167 PolarHBondContact O-OG1 3.09Å; V25-T167 VanDerWaalsContact O-OG1 3.05Å
26V95.8Very high91.4Very high2 Ų233.5 Ų33.51%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-118.6139.6-178.3-175.70000109I36 A37 V165 A166 V174 L178 M201 L208V26-I36 CarbonylContact O-C 3.44Å; V26-I36 WeakPolarHBondContact O-CA 3.25Å; V26-I36 WeakPolarHBondContact O-CG1 3.35Å; V26-A37 PolarHBondContact N-O 3.14Å; V26-A37 PolarHBondContact O-N 2.95Å; V26-V165 CarbonylContact C-O 3.36Å; V26-V165 WeakPolarHBondContact CA-O 3.49Å; V26-A166 HydrophobicContact CG2-CB 4.2Å; V26-V174 HydrophobicContact CG1-CG1 4.26Å; V26-L178 HydrophobicContact CG1-CD1 3.71Å; V26-M201 HydrophobicContact CB-CE 3.78Å; V26-M201 HydrophobicContact CG1-CE 3.73Å; V26-M201 HydrophobicContact CG1-SD 3.88Å; V26-M201 WeakPolarHBondContact O-CE 3.47Å; V26-L208 HydrophobicContact CG2-CD1 3.89Å
27A95.7Very high92.5Very high0 Ų026.5 Ų26.50%015%0.149CC..EExtended strand (participates in β ladder)trans-142.5145.517600000111.8V35 I36 V137 L150 Y164 V165A27-V35 CarbonylContact C-O 3.59Å; A27-V35 WeakPolarHBondContact CA-O 3.19Å; A27-I36 HydrophobicContact CB-CB 4.2Å; A27-I36 HydrophobicContact CB-CD1 4.49Å; A27-I36 HydrophobicContact CB-CG1 4.05Å; A27-V137 HydrophobicContact CB-CG1 3.81Å; A27-L150 HydrophobicContact CB-CD1 3.62Å; A27-L150 HydrophobicContact CB-CD2 3.91Å; A27-L150 HydrophobicContact CB-CG 4.43Å; A27-Y164 WeakPolarHBondContact O-CA 3.22Å; A27-V165 HydrophobicContact CB-CB 4.44Å; A27-V165 PolarHBondContact N-O 3.2Å; A27-V165 PolarHBondContact O-N 3.43Å
28L95.1Very high93.1Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-139.9131.6-178.5-179.664.3000110.1V35 L178 L182 L192 A197 L200 M201L28-V35 PolarHBondContact N-O 3.31Å; L28-V35 PolarHBondContact O-N 2.92Å; L28-L178 HydrophobicContact CD1-CD2 4.35Å; L28-L178 HydrophobicContact CD2-CD2 4.24Å; L28-L182 HydrophobicContact CD1-CD1 3.9Å; L28-L182 HydrophobicContact CD1-CD2 4.11Å; L28-L182 HydrophobicContact CD1-CG 4.1Å; L28-L192 HydrophobicContact CD2-CD1 4.47Å; L28-L192 HydrophobicContact CD2-CD2 3.79Å; L28-L192 HydrophobicContact CG-CD2 4.32Å; L28-A197 HydrophobicContact CD2-CB 4.39Å; L28-L200 HydrophobicContact CD2-CB 4.44Å; L28-L200 HydrophobicContact CD2-CD1 4.13Å; L28-M201 HydrophobicContact CB-SD 3.99Å
29M93.8Very high93.4Very high39 Ų3919.3 Ų19.319%0.19211%0.108CC..EExtended strand (participates in β ladder)trans-81.7138.6171.8-177176.4-67.200110.6P148 L150 K163M29-P148 HydrophobicContact CE-CB 4.04Å; M29-P148 HydrophobicContact CE-CG 4.2Å; M29-P148 WeakPolarHBondContact CE-O 3.37Å; M29-P148 HydrophobicContact CG-CB 3.78Å; M29-P148 HydrophobicContact CG-CG 3.7Å; M29-P148 HydrophobicContact SD-CB 4.08Å; M29-P148 HydrophobicContact SD-CG 3.68Å; M29-L150 HydrophobicContact CE-CB 4.21Å; M29-K163 HydrophobicContact CB-CB 4.48Å; M29-K163 WeakPolarHBondContact CB-O 3.39Å; M29-K163 PolarHBondContact N-O 3.47Å; M29-K163 HydrophobicContact SD-CG 4.43Å
30F92.1Very high93.6Very high6 Ų614.4 Ų14.43%0.0268%0.083CC..EExtended strand (participates in β ladder)trans-134-18017372-89.8000109.3D32 G33 V35 L192 R194 A197 V223 D225F30-D32 VanDerWaalsContact C-N 3.35Å; F30-D32 HydrophobicContact CD2-CB 4.38Å; F30-D32 HydrophobicContact CE2-CB 3.94Å; F30-D32 PolarHBondContact O-N 3.23Å; F30-G33 CarbonylContact C-O 3.58Å; F30-G33 VanDerWaalsContact CD1-O 3.26Å; F30-G33 WeakPolarHBondContact CD1-O 3.42Å; F30-G33 PolarHBondContact N-O 3.4Å; F30-G33 PolarHBondContact O-N 3.11Å; F30-V35 HydrophobicContact CD1-CG2 3.62Å; F30-V35 HydrophobicContact CE1-CG2 3.37Å; F30-V35 HydrophobicContact CZ-CG2 4.36Å; F30-L192 HydrophobicContact CB-CB 4.39Å; F30-L192 HydrophobicContact CB-CD2 3.64Å; F30-L192 WeakPolarHBondContact CB-O 3.36Å; F30-R194 HydrophobicContact CD2-CB 4.12Å; F30-R194 HydrophobicContact CE2-CB 3.65Å; F30-R194 HydrophobicContact CE2-CG 4.05Å; F30-R194 HydrophobicContact CZ-CB 4.07Å; F30-R194 HydrophobicContact CZ-CG 3.94Å; F30-A197 HydrophobicContact CB-CB 4.17Å; F30-A197 HydrophobicContact CD1-CB 4.34Å; F30-A197 HydrophobicContact CG-CB 4.4Å; F30-V223 HydrophobicContact CE1-CG1 4.07Å; F30-V223 HydrophobicContact CZ-CG1 3.88Å; F30-D225 WeakPolarHBondContact CZ-OD1 3.37Å
31D87.2Confident93.7Very high70 Ų7013.7 Ų13.737%0.3748%0.078SC..THydrogen-bonded Turntrans-63-39.9-162.8-53.3-16.4000114T191 L192D31-T191 WeakPolarHBondContact OD1-CB 3.35Å; D31-T191 WeakPolarHBondContact OD2-CB 3.43Å; D31-T191 PolarHBondContact OD2-OG1 3.21Å; D31-L192 VanDerWaalsContact CG-O 3.28Å; D31-L192 PolarHBondContact N-O 3.42Å; D31-L192 PolarHBondContact OD1-N 3.37Å; D31-L192 PolarHBondContact OD2-N 3.37Å
32D88Confident93.7Very high80 Ų8012.4 Ų12.443%0.4287%0.07SC..THydrogen-bonded Turntrans-99.5-3-176.7-72.9-47.4000113.6F30 K226F30-D32 VanDerWaalsContact C-N 3.35Å; F30-D32 HydrophobicContact CD2-CB 4.38Å; F30-D32 HydrophobicContact CE2-CB 3.94Å; F30-D32 PolarHBondContact O-N 3.23Å; D32-K226 IonicContact OD1-NZ 2.72Å; D32-K226 PolarHBondContact OD1-NZ 3.45Å
33G92.6Very high93.8Very high0 Ų012.2 Ų12.20%07%0.067CC..EExtended strand (participates in β ladder)trans175.4-161.5-166.300000116.6F30 V224F30-G33 CarbonylContact C-O 3.58Å; F30-G33 VanDerWaalsContact CD1-O 3.26Å; F30-G33 WeakPolarHBondContact CD1-O 3.42Å; F30-G33 PolarHBondContact N-O 3.4Å; F30-G33 PolarHBondContact O-N 3.11Å; G33-V224 CarbonylContact C-O 3.57Å; G33-V224 WeakPolarHBondContact CA-O 3.28Å
34V95Very high93.9Very high0 Ų017.5 Ų17.50%09%0.085CC..EExtended strand (participates in β ladder)trans-134131.8179.9-175.60000109.6A139 P148 L150 V224V34-A139 HydrophobicContact CB-CB 4.12Å; V34-A139 HydrophobicContact CG1-CB 3.66Å; V34-P148 HydrophobicContact CG2-CB 3.75Å; V34-L150 HydrophobicContact CG1-CD1 4.16Å; V34-V224 PolarHBondContact N-O 3.43Å; V34-V224 PolarHBondContact O-N 3.37Å
35V95.5Very high93.7Very high0 Ų019.5 Ų19.50%011%0.107CC..EExtended strand (participates in β ladder)trans-99.6136.9169.7-172.90000109A27 L28 F30 A197 M201 V221 G222 V223A27-V35 CarbonylContact C-O 3.59Å; A27-V35 WeakPolarHBondContact CA-O 3.19Å; L28-V35 PolarHBondContact N-O 3.31Å; L28-V35 PolarHBondContact O-N 2.92Å; F30-V35 HydrophobicContact CD1-CG2 3.62Å; F30-V35 HydrophobicContact CE1-CG2 3.37Å; F30-V35 HydrophobicContact CZ-CG2 4.36Å; V35-A197 HydrophobicContact CG2-CB 3.85Å; V35-M201 HydrophobicContact CB-CG 4.26Å; V35-M201 HydrophobicContact CG1-CG 3.8Å; V35-V221 HydrophobicContact CG1-CG1 3.58Å; V35-G222 CarbonylContact C-O 3.55Å; V35-G222 WeakPolarHBondContact CA-O 3Å; V35-V223 HydrophobicContact CG1-CG2 4.21Å; V35-V223 HydrophobicContact CG2-CG2 4.11Å
36I96.1Very high93.5Very high0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-129.1144.3172-169.8167.7000109.1V25 V26 A27 L56 L64 V137 V221 G222V25-I36 HydrophobicContact CG1-CD1 3.79Å; V25-I36 HydrophobicContact CG1-CG1 3.77Å; V26-I36 CarbonylContact O-C 3.44Å; V26-I36 WeakPolarHBondContact O-CA 3.25Å; V26-I36 WeakPolarHBondContact O-CG1 3.35Å; A27-I36 HydrophobicContact CB-CB 4.2Å; A27-I36 HydrophobicContact CB-CD1 4.49Å; A27-I36 HydrophobicContact CB-CG1 4.05Å; I36-L56 HydrophobicContact CD1-CD2 3.97Å; I36-L56 HydrophobicContact CG1-CD2 3.89Å; I36-L56 HydrophobicContact CG2-CD1 4.12Å; I36-L56 HydrophobicContact CG2-CD2 3.97Å; I36-L64 HydrophobicContact CG2-CD2 3.19Å; I36-L64 HydrophobicContact CG2-CG 4.05Å; I36-V137 HydrophobicContact CD1-CB 4.05Å; I36-V137 HydrophobicContact CD1-CG1 3.92Å; I36-V221 CarbonylContact O-C 3.45Å; I36-V221 WeakPolarHBondContact O-CA 3.3Å; I36-G222 PolarHBondContact N-O 2.77Å; I36-G222 PolarHBondContact O-N 3.24Å
37A95.5Very high93.3Very high2 Ų234 Ų342%0.01717%0.174CC..EExtended strand (participates in β ladder)trans-139.7147.7174.300000111.9V26 M201 I205 E220 V221V26-A37 PolarHBondContact N-O 3.14Å; V26-A37 PolarHBondContact O-N 2.95Å; A37-M201 HydrophobicContact CB-CE 3.33Å; A37-I205 HydrophobicContact CB-CD1 3.56Å; A37-I205 HydrophobicContact CB-CG1 4.46Å; A37-E220 VanDerWaalsContact CA-O 3.25Å; A37-E220 WeakPolarHBondContact CA-O 3.43Å; A37-V221 HydrophobicContact CB-CG2 4.13Å
38A95.2Very high93.2Very high3 Ų336.2 Ų36.23%0.02519%0.192CC..EExtended strand (participates in β ladder)trans-150.1145.217800000109.4V25 R55 L56 Y219 E220V25-A38 HydrophobicContact CG2-CB 4.16Å; A38-R55 HydrophobicContact CB-CB 4.2Å; A38-L56 HydrophobicContact CB-CD2 3.9Å; A38-L56 HydrophobicContact CB-CG 4.13Å; A38-Y219 WeakPolarHBondContact O-CA 3.26Å; A38-Y219 WeakPolarHBondContact O-CB 3.16Å; A38-E220 PolarHBondContact N-O 2.86Å; A38-E220 VanDerWaalsContact N-O 3.11Å; A38-E220 PolarHBondContact O-N 2.9Å
39D94.5Very high93.1Very high13 Ų1343.2 Ų43.27%0.0722%0.219CC..EExtended strand (participates in β ladder)trans-67.21631697215.5000111.7S23 R55 A215 H216 E218S23-D39 PolarHBondContact OG-OD1 2.72Å; S23-D39 PolarHBondContact OG-OD2 3.03Å; D39-R55 VanDerWaalsContact CG-NH2 3.32Å; D39-R55 VanDerWaalsContact N-NH2 3.12Å; D39-R55 PolarHBondContact O-NE 2.67Å; D39-R55 PolarHBondContact O-NH2 3.21Å; D39-R55 IonicContact OD1-CZ 3.03Å; D39-R55 IonicContact OD1-NE 2.81Å; D39-R55 PolarHBondContact OD1-NE 2.92Å; D39-R55 VanDerWaalsContact OD1-NE 3.14Å; D39-R55 IonicContact OD1-NH2 2.79Å; D39-R55 PolarHBondContact OD1-NH2 3.31Å; D39-R55 IonicContact OD2-NH2 2.59Å; D39-A215 WeakPolarHBondContact OD2-CA 3.12Å; D39-H216 HydrophobicContact CB-CB 4.27Å; D39-H216 PolarHBondContact OD2-N 2.68Å; D39-E218 WeakPolarHBondContact CA-O 3.5Å
40T94.1Very high93.2Very high0 Ų046.7 Ų46.70%023%0.23CC..SBendtrans-100.521.3-178.162.90000113.6G52 V53 E218 E220T40-G52 PolarHBondContact O-N 3.1Å; T40-V53 CarbonylContact C-O 3.57Å; T40-V53 WeakPolarHBondContact CA-O 3.46Å; T40-V53 PolarHBondContact O-N 2.76Å; T40-E218 PolarHBondContact N-O 3.12Å; T40-E218 VanDerWaalsContact N-O 3.12Å; T40-E218 WeakPolarHBondContact OG1-CB 3.38Å; T40-E218 PolarHBondContact OG1-O 3.19Å; T40-E220 HydrophobicContact CG2-CG 3.69Å
41L94.2Very high93.2Very high8 Ų852.9 Ų52.94%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-106.9136.2-175.6178.669.2000111.8A48 Y50 K51 L214 H216L41-A48 HydrophobicContact CD1-CB 3.68Å; L41-A48 HydrophobicContact CD2-CB 4.01Å; L41-A48 HydrophobicContact CG-CB 4.47Å; L41-Y50 WeakPolarHBondContact CD1-O 3.44Å; L41-K51 HydrophobicContact CD1-CG 3.94Å; L41-L214 WeakPolarHBondContact CD2-O 3.36Å; L41-H216 HydrophobicContact CB-CB 3.6Å; L41-H216 HydrophobicContact CD2-CB 4.03Å; L41-H216 HydrophobicContact CG-CB 4.39Å
42L94.7Very high93.4Very high4 Ų451.2 Ų51.22%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-112.5123.3162.1-55.5176.1000110R49 Y50 V53 R55 Y71L42-R49 PolarHBondContact O-N 2.85Å; L42-Y50 HydrophobicContact CB-CD2 4.32Å; L42-Y50 PolarHBondContact N-O 3.37Å; L42-Y50 PolarHBondContact O-N 3.47Å; L42-Y50 VanDerWaalsContact O-N 3.16Å; L42-V53 HydrophobicContact CD1-CB 4.02Å; L42-V53 HydrophobicContact CD1-CG1 3.75Å; L42-V53 HydrophobicContact CD1-CG2 4.05Å; L42-V53 HydrophobicContact CG-CB 4.08Å; L42-V53 HydrophobicContact CG-CG1 4.2Å; L42-V53 HydrophobicContact CG-CG2 4.33Å; L42-R55 HydrophobicContact CD2-CG 4.42Å; L42-Y71 HydrophobicContact CD1-CD1 3.58Å; L42-Y71 HydrophobicContact CD1-CD2 3.52Å; L42-Y71 HydrophobicContact CD1-CE1 3.93Å; L42-Y71 HydrophobicContact CD1-CE2 3.88Å; L42-Y71 HydrophobicContact CD1-CG 3.35Å; L42-Y71 HydrophobicContact CD2-CD2 3.64Å; L42-Y71 HydrophobicContact CD2-CE2 4.31Å; L42-Y71 HydrophobicContact CD2-CG 4.04Å; L42-Y71 HydrophobicContact CG-CD2 4.21Å; L42-Y71 HydrophobicContact CG-CG 4.35Å
43S93.5Very high93.6Very high4 Ų448.8 Ų48.83%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-97.5131.8-179.2-66.50000110.4C20 T21 L47C20-S43 WeakPolarHBondContact CA-O 3.19Å; T21-S43 PolarHBondContact N-O 3.45Å; T21-S43 PolarHBondContact O-N 3.48Å; S43-L47 CarbonylContact C-O 3.57Å; S43-L47 WeakPolarHBondContact CA-O 3.45Å
44Y93.4Very high93.7Very high130 Ų13050.8 Ų50.851%0.5126%0.258SS..EExtended strand (participates in β ladder)trans-9689.4168.1-175.6-90.6000107.6I19 K46 L47I19-Y44 HydrophobicContact CG2-CD2 3.58Å; I19-Y44 HydrophobicContact CG2-CE2 3.17Å; Y44-K46 PolarHBondContact O-N 2.66Å; Y44-L47 PolarHBondContact N-O 2.93Å; Y44-L47 PolarHBondContact O-N 3.13Å
45G90.3Very high93.6Very high49 Ų4950.9 Ų50.951%0.50526%0.259SS..THydrogen-bonded Turntrans61.1-116.6-165.600000111.1
46K90.4Very high93.6Very high208 Ų20851.1 Ų51.190%0.90426%0.26SS*.THydrogen-bonded Turntrans-90.9-8.6176.5-65-173.5177.5-176.40113.9Y44Y44-K46 PolarHBondContact O-N 2.66Å
47L93.4Very high93.4Very high99 Ų9954.1 Ų54.152%0.51827%0.271SS..EExtended strand (participates in β ladder)trans-85.3119.1-179.817864.2000109.7S43 Y44 R49S43-L47 CarbonylContact C-O 3.57Å; S43-L47 WeakPolarHBondContact CA-O 3.45Å; Y44-L47 PolarHBondContact N-O 2.93Å; Y44-L47 PolarHBondContact O-N 3.13Å; L47-R49 VanDerWaalsContact C-N 3.27Å; L47-R49 HydrophobicContact CG-CB 4.43Å; L47-R49 PolarHBondContact O-N 2.74Å
48A93Very high93.3Very high45 Ų4558.4 Ų58.437%0.37229%0.29SS..EExtended strand (participates in β ladder)trans-67.783.4168.400000110.2L41L41-A48 HydrophobicContact CD1-CB 3.68Å; L41-A48 HydrophobicContact CD2-CB 4.01Å; L41-A48 HydrophobicContact CG-CB 4.47Å
49R93.5Very high93Very high148 Ų14859 Ų5956%0.55829%0.292SS*.EExtended strand (participates in β ladder)trans-84.4-47-165.8-178.268.1-178.61480.9112.9L42 L47L42-R49 PolarHBondContact O-N 2.85Å; L47-R49 VanDerWaalsContact C-N 3.27Å; L47-R49 HydrophobicContact CG-CB 4.43Å; L47-R49 PolarHBondContact O-N 2.74Å
50Y94.2Very high92.6Very high112 Ų11260 Ų6044%0.43930%0.297SS..EExtended strand (participates in β ladder)trans-121.5116.1-177.8-53.7-83.5000109.9L41 L42L41-Y50 WeakPolarHBondContact CD1-O 3.44Å; L42-Y50 HydrophobicContact CB-CD2 4.32Å; L42-Y50 PolarHBondContact N-O 3.37Å; L42-Y50 PolarHBondContact O-N 3.47Å; L42-Y50 VanDerWaalsContact O-N 3.16Å
51K92.9Very high92.3Very high136 Ų13667.9 Ų67.959%0.59133%0.332SS*.EExtended strand (participates in β ladder)trans-104.2151.6178.1-58.5179-178.9-178.70109.6L41L41-K51 HydrophobicContact CD1-CG 3.94Å
52G91.8Very high92.1Very high35 Ų3571.3 Ų71.336%0.36135%0.346SS..SBendtrans7325.917900000113.9T40T40-G52 PolarHBondContact O-N 3.1Å
53V92.9Very high92Very high28 Ų2871.2 Ų71.217%0.1735%0.346CS..  trans-94.3119.5176.6-176.60000109.8T40 L42 R55 Y71T40-V53 CarbonylContact C-O 3.57Å; T40-V53 WeakPolarHBondContact CA-O 3.46Å; T40-V53 PolarHBondContact O-N 2.76Å; L42-V53 HydrophobicContact CD1-CB 4.02Å; L42-V53 HydrophobicContact CD1-CG1 3.75Å; L42-V53 HydrophobicContact CD1-CG2 4.05Å; L42-V53 HydrophobicContact CG-CB 4.08Å; L42-V53 HydrophobicContact CG-CG1 4.2Å; L42-V53 HydrophobicContact CG-CG2 4.33Å; V53-R55 PolarHBondContact O-N 2.97Å; V53-Y71 HydrophobicContact CG1-CE1 4.22Å; V53-Y71 HydrophobicContact CG1-CE2 3.63Å; V53-Y71 VanDerWaalsContact CG1-CZ 3.43Å; V53-Y71 WeakPolarHBondContact CG1-OH 3.3Å
54S93.1Very high92Very high42 Ų4271 Ų7129%0.29434%0.344SS..  trans-68.8127.6176.4-176.20000111.6L56 E220S54-L56 PolarHBondContact OG-O 2.86Å; S54-E220 WeakPolarHBondContact CA-OE2 3.4Å; S54-E220 WeakPolarHBondContact CB-OE1 3.38Å; S54-E220 VanDerWaalsContact CB-OE2 3.22Å; S54-E220 WeakPolarHBondContact CB-OE2 3.37Å; S54-E220 PolarHBondContact OG-OE1 2.92Å; S54-E220 PolarHBondContact OG-OE2 3.42Å
55R93.4Very high92.1Very high3 Ų364.9 Ų64.91%0.01132%0.321CS..  trans-105.5-3.1174.8-58.1-166.5-64.4133.1-9.2112.6S23 S24 A38 D39 L42 V53 V67S23-R55 PolarHBondContact OG-NH2 3.16Å; S24-R55 PolarHBondContact O-NH2 2.99Å; A38-R55 HydrophobicContact CB-CB 4.2Å; D39-R55 VanDerWaalsContact CG-NH2 3.32Å; D39-R55 VanDerWaalsContact N-NH2 3.12Å; D39-R55 PolarHBondContact O-NE 2.67Å; D39-R55 PolarHBondContact O-NH2 3.21Å; D39-R55 IonicContact OD1-CZ 3.03Å; D39-R55 IonicContact OD1-NE 2.81Å; D39-R55 PolarHBondContact OD1-NE 2.92Å; D39-R55 VanDerWaalsContact OD1-NE 3.14Å; D39-R55 IonicContact OD1-NH2 2.79Å; D39-R55 PolarHBondContact OD1-NH2 3.31Å; D39-R55 IonicContact OD2-NH2 2.59Å; L42-R55 HydrophobicContact CD2-CG 4.42Å; V53-R55 PolarHBondContact O-N 2.97Å; R55-V67 PolarHBondContact NH1-O 3Å; R55-V67 VanDerWaalsContact NH1-O 3.16Å; R55-V67 PolarHBondContact O-N 2.99Å
56L94.5Very high92.3Very high5 Ų562.6 Ų62.63%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-102.4127.9175.4-59.2-177000109.1I36 A38 S54 I65 E220 I231I36-L56 HydrophobicContact CD1-CD2 3.97Å; I36-L56 HydrophobicContact CG1-CD2 3.89Å; I36-L56 HydrophobicContact CG2-CD1 4.12Å; I36-L56 HydrophobicContact CG2-CD2 3.97Å; A38-L56 HydrophobicContact CB-CD2 3.9Å; A38-L56 HydrophobicContact CB-CG 4.13Å; S54-L56 PolarHBondContact OG-O 2.86Å; L56-I65 CarbonylContact C-O 3.6Å; L56-I65 WeakPolarHBondContact CA-O 2.82Å; L56-E220 HydrophobicContact CD1-CB 3.94Å; L56-I231 HydrophobicContact CB-CD1 4.49Å
57R92.9Very high92.4Very high63 Ų6353 Ų5324%0.23826%0.255CS..EExtended strand (participates in β ladder)trans-128.6126.4178.8-178.1176.4178.6-179.31.1111.5I59 I65 Y74 D82R57-I59 HydrophobicContact CG-CD1 4.17Å; R57-I59 PolarHBondContact O-N 2.95Å; R57-I65 PolarHBondContact N-O 3.43Å; R57-I65 PolarHBondContact O-N 3.25Å; R57-Y74 WeakPolarHBondContact CB-OH 3.39Å; R57-D82 IonicContact CZ-OD1 2.87Å; R57-D82 VanDerWaalsContact CZ-OD1 3.28Å; R57-D82 IonicContact CZ-OD2 2.73Å; R57-D82 IonicContact NH1-OD1 3.18Å; R57-D82 PolarHBondContact NH1-OD1 3.2Å; R57-D82 IonicContact NH1-OD2 3.37Å; R57-D82 PolarHBondContact NH1-OD2 3.26Å; R57-D82 IonicContact NH2-OD1 3.83Å; R57-D82 PolarHBondContact NH2-OD1 3.05Å; R57-D82 IonicContact NH2-OD2 3.35Å; R57-D82 PolarHBondContact NH2-OD2 3.14Å
58K93.4Very high92.4Very high92 Ų9248.4 Ų48.440%0.423%0.232SC..EExtended strand (participates in β ladder)trans-75.4120.9167.9-174.5175.2-179.6165.90108.7N60 L64 C229 I231K58-N60 VanDerWaalsContact CE-O 3.28Å; K58-N60 WeakPolarHBondContact CE-O 3.48Å; K58-N60 WeakPolarHBondContact CG-O 3.42Å; K58-L64 HydrophobicContact CB-CD1 4.25Å; K58-C229 HydrophobicContact CD-CB 3.89Å; K58-C229 HydrophobicContact CG-CB 4.02Å; K58-C229 PolarHBondContact NZ-O 3.15Å; K58-I231 HydrophobicContact CB-CD1 4.3Å
59I89.6Confident92.3Very high15 Ų1547.2 Ų47.28%0.07723%0.225CC..EExtended strand (participates in β ladder)trans-89.4-57173.5-61.7-52.8000108.5R57 T63 I65 I81 E85 F97 L102R57-I59 HydrophobicContact CG-CD1 4.17Å; R57-I59 PolarHBondContact O-N 2.95Å; I59-T63 PolarHBondContact N-O 2.95Å; I59-T63 VanDerWaalsContact N-O 3.11Å; I59-I65 HydrophobicContact CD1-CD1 3.88Å; I59-I65 HydrophobicContact CG1-CD1 3.5Å; I59-I65 VanDerWaalsContact CG1-CD1 3.5Å; I59-I65 HydrophobicContact CG1-CG1 3.81Å; I59-I81 HydrophobicContact CD1-CG2 3.65Å; I59-I81 HydrophobicContact CG1-CG2 4.28Å; I59-I81 HydrophobicContact CG2-CG2 4.25Å; I59-E85 WeakPolarHBondContact CG2-OE2 3.2Å; I59-F97 HydrophobicContact CG2-CD1 3.83Å; I59-F97 HydrophobicContact CG2-CE1 3.57Å; I59-L102 HydrophobicContact CB-CD1 4.36Å; I59-L102 HydrophobicContact CG1-CD1 3.99Å; I59-L102 HydrophobicContact CG2-CD1 3.96Å
60N86.1Confident92.3Very high33 Ų3340.4 Ų40.418%0.17620%0.199CC..EExtended strand (participates in β ladder)trans-127.5176.8-178.9-84-27.1000111K58 K62 T63 E85 F97 C229K58-N60 VanDerWaalsContact CE-O 3.28Å; K58-N60 WeakPolarHBondContact CE-O 3.48Å; K58-N60 WeakPolarHBondContact CG-O 3.42Å; N60-K62 PolarHBondContact O-N 2.81Å; N60-K62 VanDerWaalsContact O-N 3.14Å; N60-T63 PolarHBondContact N-O 2.89Å; N60-T63 PolarHBondContact O-N 2.94Å; N60-E85 PolarHBondContact OD1-OE1 2.95Å; N60-F97 PolarHBondContact ND2-O 3.42Å; N60-C229 PolarHBondContact O-SG 3.5Å
61K88.1Confident92.2Very high167 Ų16737.3 Ų37.373%0.72619%0.187SC*.THydrogen-bonded Turntrans-58.9-22.2172.2-68.2-173.9-178.8-178.90113.7G228 C229K61-G228 CarbonylContact O-C 3.6Å; K61-G228 WeakPolarHBondContact O-CA 3.37Å; K61-C229 PolarHBondContact O-N 3.28Å; K61-C229 PolarHBondContact O-SG 3.49Å
62K90.1Very high92.1Very high80 Ų8033.5 Ų33.535%0.34818%0.181SC..THydrogen-bonded Turntrans-120.68-176.3-60.3-168.1175.7-162.20114.6N60 G140 V141 N146 C229N60-K62 PolarHBondContact O-N 2.81Å; N60-K62 VanDerWaalsContact O-N 3.14Å; K62-G140 WeakPolarHBondContact O-CA 3.49Å; K62-V141 PolarHBondContact O-N 3.49Å; K62-V141 VanDerWaalsContact O-N 3.17Å; K62-N146 PolarHBondContact NZ-OD1 3.46Å; K62-C229 VanDerWaalsContact C-SG 3.51Å
63T91.9Very high92Very high1 Ų132.7 Ų32.71%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-140.3132.9-176.3-53.40000111.4I59 N60 A99 L102 V138 C229I59-T63 PolarHBondContact N-O 2.95Å; I59-T63 VanDerWaalsContact N-O 3.11Å; N60-T63 PolarHBondContact N-O 2.89Å; N60-T63 PolarHBondContact O-N 2.94Å; T63-A99 HydrophobicContact CG2-CB 3.95Å; T63-A99 PolarHBondContact OG1-N 3.15Å; T63-L102 HydrophobicContact CG2-CD1 4.2Å; T63-V138 HydrophobicContact CG2-CG1 4.17Å; T63-C229 PolarHBondContact N-SG 3.3Å
64L93.8Very high91.9Very high0 Ų031.7 Ų31.70%016%0.162CC..EExtended strand (participates in β ladder)trans-132.3137.9-178.2-173.771000108.7I36 K58 A139 V224 I231I36-L64 HydrophobicContact CG2-CD2 3.19Å; I36-L64 HydrophobicContact CG2-CG 4.05Å; K58-L64 HydrophobicContact CB-CD1 4.25Å; L64-A139 PolarHBondContact N-O 3.18Å; L64-A139 PolarHBondContact O-N 3.25Å; L64-V224 HydrophobicContact CB-CG2 3.4Å; L64-V224 VanDerWaalsContact CB-CG2 3.4Å; L64-V224 HydrophobicContact CD2-CG2 3.86Å; L64-V224 HydrophobicContact CG-CG2 4.28Å; L64-I231 HydrophobicContact CD1-CD1 3.77Å; L64-I231 HydrophobicContact CD1-CG1 3.88Å
65I94.2Very high91.8Very high2 Ų234.3 Ų34.31%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-118.1136.4178.1-61.1179.5000108.6L56 R57 I59 V67 I81 L102 F136 V137L56-I65 CarbonylContact C-O 3.6Å; L56-I65 WeakPolarHBondContact CA-O 2.82Å; R57-I65 PolarHBondContact N-O 3.43Å; R57-I65 PolarHBondContact O-N 3.25Å; I59-I65 HydrophobicContact CD1-CD1 3.88Å; I59-I65 HydrophobicContact CG1-CD1 3.5Å; I59-I65 VanDerWaalsContact CG1-CD1 3.5Å; I59-I65 HydrophobicContact CG1-CG1 3.81Å; I65-V67 HydrophobicContact CG2-CG2 3.68Å; I65-I81 HydrophobicContact CD1-CD1 4.02Å; I65-L102 HydrophobicContact CD1-CD1 3.71Å; I65-L102 HydrophobicContact CD1-CD2 3.57Å; I65-L102 HydrophobicContact CD1-CG 4.29Å; I65-L102 HydrophobicContact CG1-CD1 4.42Å; I65-L102 HydrophobicContact CG1-CD2 4.2Å; I65-F136 HydrophobicContact CG2-CD1 3.7Å; I65-F136 HydrophobicContact CG2-CE1 4.22Å; I65-V137 WeakPolarHBondContact CA-O 3.35Å
66G94.5Very high91.5Very high0 Ų038.8 Ų38.80%019%0.189CC..EExtended strand (participates in β ladder)trans-113.5142162.800000110.7V137G66-V137 PolarHBondContact N-O 2.99Å; G66-V137 PolarHBondContact O-N 3.35Å
67V93.4Very high91.2Very high6 Ų638.5 Ų38.54%0.03619%0.188CC..EExtended strand (participates in β ladder)trans-127.7129.8-175.3-170.60000111.5R55 I65 Y74 N134 F136R55-V67 PolarHBondContact NH1-O 3Å; R55-V67 VanDerWaalsContact NH1-O 3.16Å; R55-V67 PolarHBondContact O-N 2.99Å; I65-V67 HydrophobicContact CG2-CG2 3.68Å; V67-Y74 HydrophobicContact CB-CD2 3.92Å; V67-Y74 HydrophobicContact CB-CE2 4.08Å; V67-Y74 HydrophobicContact CB-CG 4.21Å; V67-Y74 HydrophobicContact CG1-CD2 3.89Å; V67-Y74 HydrophobicContact CG1-CG 4.02Å; V67-Y74 HydrophobicContact CG2-CD2 3.49Å; V67-Y74 VanDerWaalsContact CG2-CD2 3.49Å; V67-Y74 HydrophobicContact CG2-CE2 3.35Å; V67-Y74 HydrophobicContact CG2-CG 4.28Å; V67-N134 HydrophobicContact CG1-CB 4.23Å; V67-F136 HydrophobicContact CB-CE1 4.33Å; V67-F136 HydrophobicContact CG1-CD1 4.41Å; V67-F136 HydrophobicContact CG1-CE1 4Å; V67-F136 HydrophobicContact CG1-CE2 4.44Å; V67-F136 HydrophobicContact CG1-CZ 3.99Å; V67-F136 HydrophobicContact CG2-CD1 3.56Å; V67-F136 HydrophobicContact CG2-CE1 3.34Å; V67-F136 HydrophobicContact CG2-CZ 4.15Å
68G92.3Very high91Very high3 Ų337.4 Ų37.43%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-112.4157.6165.800000110.5N134 S135G68-N134 CarbonylContact O-C 3.55Å; G68-N134 WeakPolarHBondContact O-CA 3.42Å; G68-N134 PolarHBondContact O-OD1 3.5Å; G68-S135 PolarHBondContact N-O 3.1Å; G68-S135 PolarHBondContact O-N 2.87Å
69G92.1Very high90.9Very high21 Ų2137.8 Ų37.822%0.21620%0.195CC..EExtended strand (participates in β ladder)trans100-152.5-177.300000114.1T21 G22 Y71 W133 N134T21-G69 CarbonylContact C-O 3.4Å; T21-G69 VanDerWaalsContact CA-O 3.26Å; T21-G69 WeakPolarHBondContact CA-O 3.14Å; G22-G69 PolarHBondContact N-O 2.81Å; G22-G69 PolarHBondContact O-N 3.48Å; G69-Y71 PolarHBondContact O-N 2.84Å; G69-W133 CarbonylContact C-O 3.29Å; G69-W133 WeakPolarHBondContact CA-O 3.47Å; G69-N134 VanDerWaalsContact C-OD1 3.28Å
70D92.6Very high90.8Very high4 Ų439.2 Ų39.22%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-69.4121.6-173.1-169.578.4000114.3P18 I19 C20 A72 D73 Y74 W133 N134P18-D70 WeakPolarHBondContact CA-OD1 3.49Å; P18-D70 HydrophobicContact CB-CB 3.82Å; I19-D70 PolarHBondContact N-OD1 3.5Å; C20-D70 WeakPolarHBondContact O-CA 3.42Å; D70-A72 PolarHBondContact O-N 2.59Å; D70-A72 WeakPolarHBondContact OD2-CB 3.35Å; D70-A72 PolarHBondContact OD2-N 2.88Å; D70-D73 HydrophobicContact CB-CB 4.22Å; D70-D73 PolarHBondContact OD2-N 2.73Å; D70-Y74 PolarHBondContact O-N 3.42Å; D70-Y74 VanDerWaalsContact O-N 3.09Å; D70-W133 HydrophobicContact CB-CB 3.88Å; D70-W133 PolarHBondContact N-O 3.27Å; D70-N134 PolarHBondContact N-OD1 3.46Å; D70-N134 PolarHBondContact O-ND2 3.29Å; D70-N134 PolarHBondContact O-OD1 3.32Å
71Y93Very high90.9Very high47 Ų4737.7 Ų37.718%0.18419%0.194CC..Hα-helixtrans-71.6-30-175.7-164.3-103.6000113.4C20 L42 V53 G69 Y74 Q75C20-Y71 WeakPolarHBondContact O-CB 3.38Å; C20-Y71 PolarHBondContact O-N 3.21Å; L42-Y71 HydrophobicContact CD1-CD1 3.58Å; L42-Y71 HydrophobicContact CD1-CD2 3.52Å; L42-Y71 HydrophobicContact CD1-CE1 3.93Å; L42-Y71 HydrophobicContact CD1-CE2 3.88Å; L42-Y71 HydrophobicContact CD1-CG 3.35Å; L42-Y71 HydrophobicContact CD2-CD2 3.64Å; L42-Y71 HydrophobicContact CD2-CE2 4.31Å; L42-Y71 HydrophobicContact CD2-CG 4.04Å; L42-Y71 HydrophobicContact CG-CD2 4.21Å; L42-Y71 HydrophobicContact CG-CG 4.35Å; V53-Y71 HydrophobicContact CG1-CE1 4.22Å; V53-Y71 HydrophobicContact CG1-CE2 3.63Å; V53-Y71 VanDerWaalsContact CG1-CZ 3.43Å; V53-Y71 WeakPolarHBondContact CG1-OH 3.3Å; G69-Y71 PolarHBondContact O-N 2.84Å; Y71-Y74 AromaticContact CD2-CD1 3.78Å; Y71-Y74 HydrophobicContact CD2-CD1 3.78Å; Y71-Y74 HydrophobicContact CD2-CE1 4.46Å; Y71-Y74 AromaticContact CE2-CD1 3.63Å; Y71-Y74 HydrophobicContact CE2-CD1 3.63Å; Y71-Y74 AromaticContact CE2-CE1 3.9Å; Y71-Y74 HydrophobicContact CE2-CE1 3.9Å; Y71-Y74 WeakPolarHBondContact O-CB 3.41Å; Y71-Y74 PolarHBondContact O-N 2.79Å; Y71-Q75 HydrophobicContact CD1-CG 4.1Å; Y71-Q75 HydrophobicContact CE1-CG 3.91Å; Y71-Q75 WeakPolarHBondContact O-CG 3.36Å; Y71-Q75 PolarHBondContact O-N 3.1Å
72A91.6Very high90.9Very high57 Ų5732.3 Ų32.347%0.47117%0.173SC..Hα-helixtrans-71.1-42.6178.700000110.8D70 Y74 Q75 F76D70-A72 PolarHBondContact O-N 2.59Å; D70-A72 WeakPolarHBondContact OD2-CB 3.35Å; D70-A72 PolarHBondContact OD2-N 2.88Å; A72-Y74 PolarHBondContact O-N 2.8Å; A72-Q75 PolarHBondContact O-N 3.14Å; A72-F76 PolarHBondContact O-N 3.48Å
73D88.4Confident90.8Very high18 Ų1831.2 Ų31.210%0.09618%0.179CC..Hα-helixtrans-58.8-38.3170.6-78.3-14.5000111.1D70 F76 L77 F132 W133 N134D70-D73 HydrophobicContact CB-CB 4.22Å; D70-D73 PolarHBondContact OD2-N 2.73Å; D73-F76 PolarHBondContact O-N 3.17Å; D73-L77 WeakPolarHBondContact O-CB 3.29Å; D73-L77 WeakPolarHBondContact O-CG 3.13Å; D73-L77 PolarHBondContact O-N 3.43Å; D73-F132 HydrophobicContact CB-CD1 3.78Å; D73-F132 HydrophobicContact CB-CE1 4.46Å; D73-F132 WeakPolarHBondContact OD2-CA 3.38Å; D73-W133 PolarHBondContact OD2-N 3.5Å; D73-N134 WeakPolarHBondContact CB-ND2 3.17Å
74Y90.5Very high90.4Very high7 Ų733.7 Ų33.73%0.02719%0.189CC..Hα-helixtrans-64.2-45.3176.7169.4-127.4000111.9R57 V67 D70 Y71 A72 F76 L77 Q78 N134 F136R57-Y74 WeakPolarHBondContact CB-OH 3.39Å; V67-Y74 HydrophobicContact CB-CD2 3.92Å; V67-Y74 HydrophobicContact CB-CE2 4.08Å; V67-Y74 HydrophobicContact CB-CG 4.21Å; V67-Y74 HydrophobicContact CG1-CD2 3.89Å; V67-Y74 HydrophobicContact CG1-CG 4.02Å; V67-Y74 HydrophobicContact CG2-CD2 3.49Å; V67-Y74 VanDerWaalsContact CG2-CD2 3.49Å; V67-Y74 HydrophobicContact CG2-CE2 3.35Å; V67-Y74 HydrophobicContact CG2-CG 4.28Å; D70-Y74 PolarHBondContact O-N 3.42Å; D70-Y74 VanDerWaalsContact O-N 3.09Å; Y71-Y74 AromaticContact CD2-CD1 3.78Å; Y71-Y74 HydrophobicContact CD2-CD1 3.78Å; Y71-Y74 HydrophobicContact CD2-CE1 4.46Å; Y71-Y74 AromaticContact CE2-CD1 3.63Å; Y71-Y74 HydrophobicContact CE2-CD1 3.63Å; Y71-Y74 AromaticContact CE2-CE1 3.9Å; Y71-Y74 HydrophobicContact CE2-CE1 3.9Å; Y71-Y74 WeakPolarHBondContact O-CB 3.41Å; Y71-Y74 PolarHBondContact O-N 2.79Å; A72-Y74 PolarHBondContact O-N 2.8Å; Y74-F76 VanDerWaalsContact C-N 3.29Å; Y74-F76 PolarHBondContact O-N 3.26Å; Y74-L77 CarbonylContact O-C 3.54Å; Y74-L77 PolarHBondContact O-N 2.78Å; Y74-L77 VanDerWaalsContact O-N 3.09Å; Y74-Q78 HydrophobicContact CD2-CG 4.03Å; Y74-Q78 HydrophobicContact CE1-CG 4.38Å; Y74-Q78 HydrophobicContact CE2-CG 3.64Å; Y74-Q78 WeakPolarHBondContact O-CG 2.88Å; Y74-Q78 PolarHBondContact O-N 2.96Å; Y74-Q78 PolarHBondContact OH-NE2 2.75Å; Y74-N134 PolarHBondContact N-ND2 3.02Å; Y74-F136 HydrophobicContact CD2-CE1 4.25Å; Y74-F136 HydrophobicContact CD2-CZ 4.39Å
75Q91.6Very high90.1Very high96 Ų9634.7 Ų34.745%0.44919%0.193SC..Hα-helixtrans-60.1-38.6175.6-72.3177.1-34.500112.4Y71 A72 L77 Q78 V79Y71-Q75 HydrophobicContact CD1-CG 4.1Å; Y71-Q75 HydrophobicContact CE1-CG 3.91Å; Y71-Q75 WeakPolarHBondContact O-CG 3.36Å; Y71-Q75 PolarHBondContact O-N 3.1Å; A72-Q75 PolarHBondContact O-N 3.14Å; Q75-L77 VanDerWaalsContact C-N 3.35Å; Q75-Q78 WeakPolarHBondContact O-CB 3.39Å; Q75-Q78 PolarHBondContact O-N 2.75Å; Q75-V79 PolarHBondContact O-N 3.17Å
76F87.7Confident89.7Confident97 Ų9737.8 Ų37.843%0.42522%0.215SC..Hα-helixtrans-64.5-42173.8-179.9-101.6000111.7A72 D73 Y74 Q78 V79 L80 F132A72-F76 PolarHBondContact O-N 3.48Å; D73-F76 PolarHBondContact O-N 3.17Å; Y74-F76 VanDerWaalsContact C-N 3.29Å; Y74-F76 PolarHBondContact O-N 3.26Å; F76-Q78 VanDerWaalsContact C-N 3.34Å; F76-Q78 PolarHBondContact O-N 3.47Å; F76-V79 PolarHBondContact O-N 3.29Å; F76-L80 HydrophobicContact CD1-CD1 4Å; F76-L80 HydrophobicContact CE1-CD1 3.41Å; F76-L80 VanDerWaalsContact CE1-CD1 3.41Å; F76-L80 HydrophobicContact CE1-CG 4.16Å; F76-L80 HydrophobicContact CZ-CD1 3.95Å; F76-L80 HydrophobicContact CZ-CG 4.36Å; F76-L80 PolarHBondContact O-N 2.97Å; F76-F132 AromaticContact CD1-CE1 3.75Å; F76-F132 HydrophobicContact CD1-CE1 3.75Å; F76-F132 AromaticContact CD1-CZ 3.59Å; F76-F132 HydrophobicContact CD1-CZ 3.59Å; F76-F132 HydrophobicContact CE1-CE1 4.28Å; F76-F132 AromaticContact CE1-CZ 3.75Å; F76-F132 HydrophobicContact CE1-CZ 3.75Å
77L87.2Confident89.3Confident0 Ų042.1 Ų42.10%024%0.235CC..Hα-helixtrans-68.2-32.7178.9-70.4170.7000113.1D73 Y74 Q75 V79 L80 I81 F121 F132 F136D73-L77 WeakPolarHBondContact O-CB 3.29Å; D73-L77 WeakPolarHBondContact O-CG 3.13Å; D73-L77 PolarHBondContact O-N 3.43Å; Y74-L77 CarbonylContact O-C 3.54Å; Y74-L77 PolarHBondContact O-N 2.78Å; Y74-L77 VanDerWaalsContact O-N 3.09Å; Q75-L77 VanDerWaalsContact C-N 3.35Å; L77-V79 VanDerWaalsContact C-N 3.34Å; L77-V79 PolarHBondContact O-N 2.84Å; L77-L80 HydrophobicContact CD2-CD1 4.28Å; L77-L80 PolarHBondContact O-N 2.93Å; L77-I81 VanDerWaalsContact O-CG1 3.26Å; L77-I81 WeakPolarHBondContact O-CG1 3.41Å; L77-I81 PolarHBondContact O-N 2.84Å; L77-F121 HydrophobicContact CD2-CE1 3.3Å; L77-F121 HydrophobicContact CD2-CZ 3.41Å; L77-F121 VanDerWaalsContact CD2-CZ 3.41Å; L77-F132 HydrophobicContact CD1-CB 4.43Å; L77-F132 HydrophobicContact CD1-CD1 4.38Å; L77-F132 HydrophobicContact CD1-CD2 4.25Å; L77-F132 HydrophobicContact CD1-CG 4.13Å; L77-F132 HydrophobicContact CD2-CD2 4.11Å; L77-F132 HydrophobicContact CD2-CE1 4.45Å; L77-F132 HydrophobicContact CD2-CE2 3.67Å; L77-F132 HydrophobicContact CD2-CZ 3.82Å; L77-F132 HydrophobicContact CG-CE1 4.41Å; L77-F132 HydrophobicContact CG-CE2 4.38Å; L77-F132 HydrophobicContact CG-CZ 4.26Å; L77-F136 HydrophobicContact CB-CZ 4.2Å; L77-F136 HydrophobicContact CD1-CE2 3.46Å; L77-F136 VanDerWaalsContact CD1-CE2 3.46Å; L77-F136 HydrophobicContact CD1-CZ 3.33Å; L77-F136 HydrophobicContact CG-CZ 4.37Å
78Q89.9Confident88.8Confident40 Ų4043.1 Ų43.119%0.18724%0.24CC..Hα-helixtrans-54.5-49.4172.4-80.8-178.3-14.200111.6Y74 Q75 F76 L80 I81 D82Y74-Q78 HydrophobicContact CD2-CG 4.03Å; Y74-Q78 HydrophobicContact CE1-CG 4.38Å; Y74-Q78 HydrophobicContact CE2-CG 3.64Å; Y74-Q78 WeakPolarHBondContact O-CG 2.88Å; Y74-Q78 PolarHBondContact O-N 2.96Å; Y74-Q78 PolarHBondContact OH-NE2 2.75Å; Q75-Q78 WeakPolarHBondContact O-CB 3.39Å; Q75-Q78 PolarHBondContact O-N 2.75Å; F76-Q78 VanDerWaalsContact C-N 3.34Å; F76-Q78 PolarHBondContact O-N 3.47Å; Q78-L80 VanDerWaalsContact C-N 3.27Å; Q78-L80 PolarHBondContact O-N 2.86Å; Q78-I81 PolarHBondContact O-N 3.38Å; Q78-D82 PolarHBondContact O-N 3.11Å
79V89.4Confident88.5Confident99 Ų9948.8 Ų48.860%0.626%0.264SS*.Hα-helixtrans-60.2-39.8178.3178.20000111.3Q75 F76 L77 D82 A83Q75-V79 PolarHBondContact O-N 3.17Å; F76-V79 PolarHBondContact O-N 3.29Å; L77-V79 VanDerWaalsContact C-N 3.34Å; L77-V79 PolarHBondContact O-N 2.84Å; V79-D82 PolarHBondContact O-N 3.28Å; V79-A83 WeakPolarHBondContact O-CB 3.48Å; V79-A83 PolarHBondContact O-N 3.25Å
80L87.8Confident88.2Confident45 Ų4553 Ų5324%0.23629%0.289CS..Hα-helixtrans-69.9-38.2178.2-65.8-179.8000112.9F76 L77 Q78 R84 W105 F121F76-L80 HydrophobicContact CD1-CD1 4Å; F76-L80 HydrophobicContact CE1-CD1 3.41Å; F76-L80 VanDerWaalsContact CE1-CD1 3.41Å; F76-L80 HydrophobicContact CE1-CG 4.16Å; F76-L80 HydrophobicContact CZ-CD1 3.95Å; F76-L80 HydrophobicContact CZ-CG 4.36Å; F76-L80 PolarHBondContact O-N 2.97Å; L77-L80 HydrophobicContact CD2-CD1 4.28Å; L77-L80 PolarHBondContact O-N 2.93Å; Q78-L80 VanDerWaalsContact C-N 3.27Å; Q78-L80 PolarHBondContact O-N 2.86Å; L80-R84 WeakPolarHBondContact O-CB 3.19Å; L80-R84 PolarHBondContact O-N 3.21Å; L80-W105 HydrophobicContact CB-CH2 4.04Å; L80-F121 HydrophobicContact CD1-CE2 4.17Å; L80-F121 HydrophobicContact CD1-CZ 3.85Å
81I87.8Confident87.7Confident2 Ų256.7 Ų56.71%0.0131%0.308CS..Hα-helixtrans-65-42.7175.7-67.6162.4000109.9I59 I65 L77 Q78 R84 E85 F97 L102 W105I59-I81 HydrophobicContact CD1-CG2 3.65Å; I59-I81 HydrophobicContact CG1-CG2 4.28Å; I59-I81 HydrophobicContact CG2-CG2 4.25Å; I65-I81 HydrophobicContact CD1-CD1 4.02Å; L77-I81 VanDerWaalsContact O-CG1 3.26Å; L77-I81 WeakPolarHBondContact O-CG1 3.41Å; L77-I81 PolarHBondContact O-N 2.84Å; Q78-I81 PolarHBondContact O-N 3.38Å; I81-R84 PolarHBondContact O-N 3.39Å; I81-E85 WeakPolarHBondContact O-CB 3.03Å; I81-E85 PolarHBondContact O-N 2.67Å; I81-F97 HydrophobicContact CG2-CE1 4.24Å; I81-F97 HydrophobicContact CG2-CZ 4.39Å; I81-L102 HydrophobicContact CG2-CD1 4.33Å; I81-W105 HydrophobicContact CG1-CH2 4.1Å; I81-W105 HydrophobicContact CG1-CZ3 3.62Å
82D88.9Confident87Confident53 Ų5363.8 Ų63.828%0.28334%0.343SS..Hα-helixtrans-66.3-41.1179.3-66.3-24.1000112.3R57 Q78 V79 R84 E85 S86R57-D82 IonicContact CZ-OD1 2.87Å; R57-D82 VanDerWaalsContact CZ-OD1 3.28Å; R57-D82 IonicContact CZ-OD2 2.73Å; R57-D82 IonicContact NH1-OD1 3.18Å; R57-D82 PolarHBondContact NH1-OD1 3.2Å; R57-D82 IonicContact NH1-OD2 3.37Å; R57-D82 PolarHBondContact NH1-OD2 3.26Å; R57-D82 IonicContact NH2-OD1 3.83Å; R57-D82 PolarHBondContact NH2-OD1 3.05Å; R57-D82 IonicContact NH2-OD2 3.35Å; R57-D82 PolarHBondContact NH2-OD2 3.14Å; Q78-D82 PolarHBondContact O-N 3.11Å; V79-D82 PolarHBondContact O-N 3.28Å; D82-R84 VanDerWaalsContact C-N 3.31Å; D82-R84 PolarHBondContact O-N 3.34Å; D82-E85 PolarHBondContact O-N 3.44Å; D82-S86 WeakPolarHBondContact O-CB 3.28Å; D82-S86 PolarHBondContact O-N 3.5Å; D82-S86 PolarHBondContact O-OG 3.46Å
83A88.2Confident86.4Confident57 Ų5766.4 Ų66.447%0.47136%0.355SS..Hα-helixtrans-61.8-41.9172.800000111.1V79 S86 E87V79-A83 WeakPolarHBondContact O-CB 3.48Å; V79-A83 PolarHBondContact O-N 3.25Å; A83-S86 PolarHBondContact O-N 2.81Å; A83-E87 WeakPolarHBondContact O-CB 3.38Å; A83-E87 PolarHBondContact O-N 2.83Å
84R84.4Confident85.8Confident54 Ų5470.1 Ų70.120%0.20438%0.38CS..Hα-helixtrans-68.6-42.3178.6-17761.3176.1178.25.5112.7L80 I81 D82 S86 E87 M88 F97 W105L80-R84 WeakPolarHBondContact O-CB 3.19Å; L80-R84 PolarHBondContact O-N 3.21Å; I81-R84 PolarHBondContact O-N 3.39Å; D82-R84 VanDerWaalsContact C-N 3.31Å; D82-R84 PolarHBondContact O-N 3.34Å; R84-S86 VanDerWaalsContact C-N 3.27Å; R84-S86 PolarHBondContact O-N 3.5Å; R84-E87 WeakPolarHBondContact CD-OE2 3.11Å; R84-E87 IonicContact CZ-OE2 3.4Å; R84-E87 IonicContact NE-OE2 2.73Å; R84-E87 IonicContact NH1-OE1 3.81Å; R84-E87 PolarHBondContact NH1-OE1 2.84Å; R84-E87 IonicContact NH1-OE2 3.76Å; R84-E87 PolarHBondContact NH1-OE2 3.28Å; R84-E87 PolarHBondContact O-N 2.79Å; R84-M88 HydrophobicContact CG-CG 4.37Å; R84-M88 VanDerWaalsContact O-CG 3.25Å; R84-M88 WeakPolarHBondContact O-CG 3.32Å; R84-M88 PolarHBondContact O-N 2.96Å; R84-F97 HydrophobicContact CG-CE2 3.83Å; R84-F97 HydrophobicContact CG-CZ 4.22Å; R84-W105 HydrophobicContact CB-CH2 4.5Å; R84-W105 HydrophobicContact CB-CZ2 3.88Å; R84-W105 VanDerWaalsContact CD-NE1 3.34Å; R84-W105 HydrophobicContact CG-CD2 4.13Å; R84-W105 HydrophobicContact CG-CG 4.21Å; R84-W105 HydrophobicContact CG-CZ2 4.15Å; R84-W105 VanDerWaalsContact NE-CD1 3.33Å
85E86.1Confident84.8Confident20 Ų2071 Ų719%0.09339%0.391CS..Hα-helixtrans-60.1-43.3176.4-173.3-170.7150.600110.3I59 N60 I81 D82 M88 K89 F97I59-E85 WeakPolarHBondContact CG2-OE2 3.2Å; N60-E85 PolarHBondContact OD1-OE1 2.95Å; I81-E85 WeakPolarHBondContact O-CB 3.03Å; I81-E85 PolarHBondContact O-N 2.67Å; D82-E85 PolarHBondContact O-N 3.44Å; E85-M88 PolarHBondContact O-N 3.14Å; E85-K89 WeakPolarHBondContact O-CG 3.26Å; E85-K89 PolarHBondContact O-N 3.33Å; E85-K89 VanDerWaalsContact O-N 3.11Å; E85-K89 VanDerWaalsContact OE1-CE 3.28Å; E85-K89 WeakPolarHBondContact OE1-CE 3.43Å; E85-K89 IonicContact OE1-NZ 2.75Å; E85-K89 PolarHBondContact OE1-NZ 3.42Å; E85-F97 HydrophobicContact CB-CD1 4Å; E85-F97 HydrophobicContact CB-CE1 3.94Å; E85-F97 HydrophobicContact CG-CD1 3.85Å; E85-F97 HydrophobicContact CG-CE1 4.26Å
86S86.9Confident83.9Confident67 Ų6773.1 Ų73.147%0.46940%0.401SS..Hα-helixtrans-61-48174.4-59.50000111.9D82 A83 R84 M88 K89 C90D82-S86 WeakPolarHBondContact O-CB 3.28Å; D82-S86 PolarHBondContact O-N 3.5Å; D82-S86 PolarHBondContact O-OG 3.46Å; A83-S86 PolarHBondContact O-N 2.81Å; R84-S86 VanDerWaalsContact C-N 3.27Å; R84-S86 PolarHBondContact O-N 3.5Å; S86-M88 VanDerWaalsContact C-N 3.35Å; S86-M88 PolarHBondContact O-N 3.03Å; S86-K89 PolarHBondContact O-N 2.94Å; S86-C90 PolarHBondContact O-N 3.47Å; S86-C90 VanDerWaalsContact O-N 3.12Å; S86-C90 PolarHBondContact O-SG 3.15Å
87E85.9Confident83.4Confident92 Ų9269.1 Ų69.143%0.4338%0.383SS..Hα-helixtrans-56.8-47177-171.7-169169.200111.4A83 R84 K89 C90 L91A83-E87 WeakPolarHBondContact O-CB 3.38Å; A83-E87 PolarHBondContact O-N 2.83Å; R84-E87 WeakPolarHBondContact CD-OE2 3.11Å; R84-E87 IonicContact CZ-OE2 3.4Å; R84-E87 IonicContact NE-OE2 2.73Å; R84-E87 IonicContact NH1-OE1 3.81Å; R84-E87 PolarHBondContact NH1-OE1 2.84Å; R84-E87 IonicContact NH1-OE2 3.76Å; R84-E87 PolarHBondContact NH1-OE2 3.28Å; R84-E87 PolarHBondContact O-N 2.79Å; E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 PolarHBondContact O-N 2.76Å; E87-C90 PolarHBondContact O-N 3.32Å; E87-C90 VanDerWaalsContact O-N 3.14Å; E87-L91 WeakPolarHBondContact O-CG 3.37Å; E87-L91 PolarHBondContact O-N 2.89Å
88M83.4Confident83.2Confident26 Ų2670.9 Ų70.913%0.12839%0.393CS..Hα-helixtrans-65.4-32.7-178.9-67.5-71.9-77.100112.9R84 E85 S86 L91 G95 F97R84-M88 HydrophobicContact CG-CG 4.37Å; R84-M88 VanDerWaalsContact O-CG 3.25Å; R84-M88 WeakPolarHBondContact O-CG 3.32Å; R84-M88 PolarHBondContact O-N 2.96Å; E85-M88 PolarHBondContact O-N 3.14Å; S86-M88 VanDerWaalsContact C-N 3.35Å; S86-M88 PolarHBondContact O-N 3.03Å; M88-L91 HydrophobicContact SD-CD1 3.92Å; M88-G95 PolarHBondContact O-N 3.36Å; M88-F97 HydrophobicContact CB-CD2 4.49Å; M88-F97 HydrophobicContact CG-CD2 4.01Å
89K84.6Confident82.8Confident123 Ų12369 Ų6954%0.53538%0.384SS..Hα-helixtrans-71.1-30.4174.5-73.9173.2-176.4169.80112.9E85 S86 E87E85-K89 WeakPolarHBondContact O-CG 3.26Å; E85-K89 PolarHBondContact O-N 3.33Å; E85-K89 VanDerWaalsContact O-N 3.11Å; E85-K89 VanDerWaalsContact OE1-CE 3.28Å; E85-K89 WeakPolarHBondContact OE1-CE 3.43Å; E85-K89 IonicContact OE1-NZ 2.75Å; E85-K89 PolarHBondContact OE1-NZ 3.42Å; S86-K89 PolarHBondContact O-N 2.94Å; E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 PolarHBondContact O-N 2.76Å
90C85.8Confident82.6Confident110 Ų11068 Ų6874%0.74338%0.375SS*.Hα-helixtrans-83.3-10.9-179.7-67.50000114.1S86 E87S86-C90 PolarHBondContact O-N 3.47Å; S86-C90 VanDerWaalsContact O-N 3.12Å; S86-C90 PolarHBondContact O-SG 3.15Å; E87-C90 PolarHBondContact O-N 3.32Å; E87-C90 VanDerWaalsContact O-N 3.14Å
91L83.5Confident82.3Confident81 Ų8167.4 Ų67.442%0.42437%0.374SS..SBendtrans-68.5148.8176.5-69.8170000111.4E87 M88 P93 P94E87-L91 WeakPolarHBondContact O-CG 3.37Å; E87-L91 PolarHBondContact O-N 2.89Å; M88-L91 HydrophobicContact SD-CD1 3.92Å; L91-P93 CarbonylContact C-O 3.06Å; L91-P93 CarbonylContact O-C 3.57Å; L91-P94 WeakPolarHBondContact O-CA 3.4Å
92E77.2Confident82.1Confident195 Ų19567.3 Ų67.391%0.91137%0.374SS*.SBendtrans-115108.8171-67.8-176.4172.300108.7
93P80.2Confident81.8Confident112 Ų11265.2 Ų65.273%0.72736%0.362SS*.SBendcis-73.41560.132.2-35.8000113.1L91 G95L91-P93 CarbonylContact C-O 3.06Å; L91-P93 CarbonylContact O-C 3.57Å; P93-G95 PolarHBondContact O-N 3.4Å; P93-G95 VanDerWaalsContact O-N 3.16Å
94P74.1Confident81.5Confident97 Ų9765.1 Ų65.163%0.6336%0.358SS*.PPolyproline II helixtrans-60.7121.8-179.823.6-33.2000110.2L91L91-P94 WeakPolarHBondContact O-CA 3.4Å
95G70.1Confident81.2Confident24 Ų2463.9 Ų63.925%0.24735%0.354CS..PPolyproline II helixtrans-69.5131.8178.200000110.4M88 P93 F97M88-G95 PolarHBondContact O-N 3.36Å; P93-G95 PolarHBondContact O-N 3.4Å; P93-G95 VanDerWaalsContact O-N 3.16Å; G95-F97 PolarHBondContact O-N 2.98Å; G95-F97 VanDerWaalsContact O-N 3.16Å
96Q72.4Confident80.6Confident142 Ų14263 Ų6366%0.66435%0.349SS*.  trans-72.8109.7173.1-67.1-1744.600110N98 S101Q96-N98 PolarHBondContact O-N 2.83Å; Q96-N98 PolarHBondContact OE1-ND2 3.32Å; Q96-S101 PolarHBondContact O-OG 3.03Å
97F78.4Confident79.5Confident13 Ų1366.1 Ų66.16%0.05735%0.351CS..  trans-82.371.5173-159.8-120.3000110.5I59 N60 I81 R84 E85 M88 G95 S101 L102I59-F97 HydrophobicContact CG2-CD1 3.83Å; I59-F97 HydrophobicContact CG2-CE1 3.57Å; N60-F97 PolarHBondContact ND2-O 3.42Å; I81-F97 HydrophobicContact CG2-CE1 4.24Å; I81-F97 HydrophobicContact CG2-CZ 4.39Å; R84-F97 HydrophobicContact CG-CE2 3.83Å; R84-F97 HydrophobicContact CG-CZ 4.22Å; E85-F97 HydrophobicContact CB-CD1 4Å; E85-F97 HydrophobicContact CB-CE1 3.94Å; E85-F97 HydrophobicContact CG-CD1 3.85Å; E85-F97 HydrophobicContact CG-CE1 4.26Å; M88-F97 HydrophobicContact CB-CD2 4.49Å; M88-F97 HydrophobicContact CG-CD2 4.01Å; G95-F97 PolarHBondContact O-N 2.98Å; G95-F97 VanDerWaalsContact O-N 3.16Å; F97-S101 WeakPolarHBondContact CA-OG 3.45Å; F97-L102 HydrophobicContact CD1-CD1 4.4Å; F97-L102 HydrophobicContact CE1-CD1 3.56Å; F97-L102 HydrophobicContact CE1-CG 4.29Å; F97-L102 HydrophobicContact CE2-CB 4.5Å; F97-L102 HydrophobicContact CZ-CB 4.23Å; F97-L102 HydrophobicContact CZ-CD1 3.74Å; F97-L102 HydrophobicContact CZ-CG 3.98Å
98N82Confident78Confident37 Ų3765.6 Ų65.620%0.19836%0.357CS..  trans-84.3161.9178.4-66-19000111.5Q96 L100 S101 L102Q96-N98 PolarHBondContact O-N 2.83Å; Q96-N98 PolarHBondContact OE1-ND2 3.32Å; N98-L100 VanDerWaalsContact C-N 3.25Å; N98-L100 PolarHBondContact O-N 2.92Å; N98-S101 PolarHBondContact N-OG 3.16Å; N98-S101 WeakPolarHBondContact O-CA 3.31Å; N98-S101 WeakPolarHBondContact O-CB 3.33Å; N98-S101 PolarHBondContact O-N 3.01Å; N98-S101 PolarHBondContact O-OG 2.86Å; N98-L102 PolarHBondContact O-N 2.91Å
99A82Confident76.4Confident0 Ų065.4 Ų65.40%036%0.359CS..Hα-helixtrans-54.1-39.2177.300000113.2T63 L102 H103 V138 V142 Y149T63-A99 HydrophobicContact CG2-CB 3.95Å; T63-A99 PolarHBondContact OG1-N 3.15Å; A99-L102 PolarHBondContact O-N 3.38Å; A99-H103 VanDerWaalsContact O-CB 3.29Å; A99-H103 WeakPolarHBondContact O-CB 3.49Å; A99-H103 PolarHBondContact O-N 2.81Å; A99-V138 HydrophobicContact CB-CG1 4.07Å; A99-V142 HydrophobicContact CB-CG2 4.05Å; A99-Y149 HydrophobicContact CB-CD1 3.92Å
100L84.7Confident74.1Confident78 Ų7861.5 Ų61.541%0.40835%0.349SS..Hα-helixtrans-63-42.1173.9178.664000112.4N98 L102 S104 V142 Y149N98-L100 VanDerWaalsContact C-N 3.25Å; N98-L100 PolarHBondContact O-N 2.92Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L100-S104 WeakPolarHBondContact O-CB 3.16Å; L100-S104 PolarHBondContact O-N 2.84Å; L100-S104 PolarHBondContact O-OG 2.56Å; L100-V142 HydrophobicContact CB-CG1 4.26Å; L100-V142 HydrophobicContact CB-CG2 4.16Å; L100-Y149 HydrophobicContact CD1-CE2 3.82Å; L100-Y149 VanDerWaalsContact CD1-OH 3.3Å; L100-Y149 WeakPolarHBondContact CD1-OH 3.41Å
101S82.7Confident71.8Confident32 Ų3263.6 Ų63.622%0.22435%0.348CS..Hα-helixtrans-67-38.5178.276.90000111.2Q96 F97 N98 S104 W105Q96-S101 PolarHBondContact O-OG 3.03Å; F97-S101 WeakPolarHBondContact CA-OG 3.45Å; N98-S101 PolarHBondContact N-OG 3.16Å; N98-S101 WeakPolarHBondContact O-CA 3.31Å; N98-S101 WeakPolarHBondContact O-CB 3.33Å; N98-S101 PolarHBondContact O-N 3.01Å; N98-S101 PolarHBondContact O-OG 2.86Å; S101-S104 CarbonylContact O-C 3.51Å; S101-S104 PolarHBondContact O-N 2.87Å; S101-W105 WeakPolarHBondContact O-CB 3.05Å; S101-W105 PolarHBondContact O-N 3.43Å
102L83.2Confident69.3Low0 Ų065.8 Ų65.80%036%0.359CS..Hα-helixtrans-69.2-46177.7-168.9151.9000110.9I59 T63 I65 I81 F97 N98 A99 L100 S104 W105 L106 V138I59-L102 HydrophobicContact CB-CD1 4.36Å; I59-L102 HydrophobicContact CG1-CD1 3.99Å; I59-L102 HydrophobicContact CG2-CD1 3.96Å; T63-L102 HydrophobicContact CG2-CD1 4.2Å; I65-L102 HydrophobicContact CD1-CD1 3.71Å; I65-L102 HydrophobicContact CD1-CD2 3.57Å; I65-L102 HydrophobicContact CD1-CG 4.29Å; I65-L102 HydrophobicContact CG1-CD1 4.42Å; I65-L102 HydrophobicContact CG1-CD2 4.2Å; I81-L102 HydrophobicContact CG2-CD1 4.33Å; F97-L102 HydrophobicContact CD1-CD1 4.4Å; F97-L102 HydrophobicContact CE1-CD1 3.56Å; F97-L102 HydrophobicContact CE1-CG 4.29Å; F97-L102 HydrophobicContact CE2-CB 4.5Å; F97-L102 HydrophobicContact CZ-CB 4.23Å; F97-L102 HydrophobicContact CZ-CD1 3.74Å; F97-L102 HydrophobicContact CZ-CG 3.98Å; N98-L102 PolarHBondContact O-N 2.91Å; A99-L102 PolarHBondContact O-N 3.38Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L102-S104 VanDerWaalsContact C-N 3.32Å; L102-S104 PolarHBondContact O-N 3.36Å; L102-W105 CarbonylContact O-C 3.53Å; L102-W105 WeakPolarHBondContact O-CB 3.47Å; L102-W105 PolarHBondContact O-N 2.88Å; L102-W105 VanDerWaalsContact O-N 3.13Å; L102-L106 HydrophobicContact CD2-CD1 3.47Å; L102-L106 VanDerWaalsContact CD2-CD1 3.47Å; L102-L106 HydrophobicContact CD2-CG 3.89Å; L102-L106 WeakPolarHBondContact O-CB 3.44Å; L102-L106 WeakPolarHBondContact O-CG 3.5Å; L102-L106 PolarHBondContact O-N 2.86Å; L102-V138 HydrophobicContact CD2-CB 4.47Å; L102-V138 HydrophobicContact CD2-CG1 3.93Å; L102-V138 HydrophobicContact CD2-CG2 3.63Å
103H82.1Confident67.2Low9 Ų964.6 Ų64.64%0.04235%0.351CS..Hα-helixtrans-61.2-44.1175.4-178.4-156.7000110.9A99 W105 L106 R107 V138 Y149 T152 V153A99-H103 VanDerWaalsContact O-CB 3.29Å; A99-H103 WeakPolarHBondContact O-CB 3.49Å; A99-H103 PolarHBondContact O-N 2.81Å; H103-W105 VanDerWaalsContact C-N 3.3Å; H103-W105 PolarHBondContact O-N 2.9Å; H103-L106 PolarHBondContact O-N 2.79Å; H103-R107 WeakPolarHBondContact O-CB 3.11Å; H103-R107 PolarHBondContact O-N 2.88Å; H103-V138 HydrophobicContact CB-CB 4.44Å; H103-V138 HydrophobicContact CB-CG1 4.49Å; H103-V138 HydrophobicContact CB-CG2 4.47Å; H103-Y149 HydrophobicContact CB-CE1 3.97Å; H103-Y149 AromaticContact ND1-CE1 3.66Å; H103-Y149 AromaticContact ND1-CZ 3.59Å; H103-Y149 PolarHBondContact ND1-OH 2.92Å; H103-T152 PolarHBondContact NE2-O 3.43Å; H103-T152 VanDerWaalsContact NE2-O 3.1Å; H103-V153 WeakPolarHBondContact CD2-CG2 3.19Å
104S81.3Confident64.9Low55 Ų5563.4 Ų63.439%0.38535%0.35SS..Hα-helixtrans-66.6-30.3174.4-58.80000112.4L100 S101 L102 R107 S108L100-S104 WeakPolarHBondContact O-CB 3.16Å; L100-S104 PolarHBondContact O-N 2.84Å; L100-S104 PolarHBondContact O-OG 2.56Å; S101-S104 CarbonylContact O-C 3.51Å; S101-S104 PolarHBondContact O-N 2.87Å; L102-S104 VanDerWaalsContact C-N 3.32Å; L102-S104 PolarHBondContact O-N 3.36Å; S104-R107 CarbonylContact O-C 3.39Å; S104-S108 WeakPolarHBondContact O-CA 3.3Å; S104-S108 WeakPolarHBondContact O-CB 3.46Å; S104-S108 PolarHBondContact O-N 2.96Å
105W79.2Confident62.8Low29 Ų2967.7 Ų67.711%0.1136%0.359CS..Hα-helixtrans-74.5-46.1176.1177.191.6000111.1L80 I81 R84 S101 L102 H103 R107 S108 S109L80-W105 HydrophobicContact CB-CH2 4.04Å; I81-W105 HydrophobicContact CG1-CH2 4.1Å; I81-W105 HydrophobicContact CG1-CZ3 3.62Å; R84-W105 HydrophobicContact CB-CH2 4.5Å; R84-W105 HydrophobicContact CB-CZ2 3.88Å; R84-W105 VanDerWaalsContact CD-NE1 3.34Å; R84-W105 HydrophobicContact CG-CD2 4.13Å; R84-W105 HydrophobicContact CG-CG 4.21Å; R84-W105 HydrophobicContact CG-CZ2 4.15Å; R84-W105 VanDerWaalsContact NE-CD1 3.33Å; S101-W105 WeakPolarHBondContact O-CB 3.05Å; S101-W105 PolarHBondContact O-N 3.43Å; L102-W105 CarbonylContact O-C 3.53Å; L102-W105 WeakPolarHBondContact O-CB 3.47Å; L102-W105 PolarHBondContact O-N 2.88Å; L102-W105 VanDerWaalsContact O-N 3.13Å; H103-W105 VanDerWaalsContact C-N 3.3Å; H103-W105 PolarHBondContact O-N 2.9Å; W105-R107 CarbonylContact O-C 3.57Å; W105-R107 PolarHBondContact O-N 2.87Å; W105-S108 PolarHBondContact O-N 2.9Å; W105-S108 VanDerWaalsContact O-N 3.1Å; W105-S109 VanDerWaalsContact C-OG 3.31Å; W105-S109 WeakPolarHBondContact CA-OG 3.13Å; W105-S109 PolarHBondContact NE1-OG 3.09Å; W105-S109 WeakPolarHBondContact O-CB 3.48Å; W105-S109 PolarHBondContact O-N 3.41Å; W105-S109 PolarHBondContact O-OG 2.99Å
106L72.7Confident60.9Low0 Ų073.4 Ų73.40%038%0.383CS..Hα-helixtrans-58-35172.6-74.2177.2000111L102 H103 F136 V138 V153L102-L106 HydrophobicContact CD2-CD1 3.47Å; L102-L106 VanDerWaalsContact CD2-CD1 3.47Å; L102-L106 HydrophobicContact CD2-CG 3.89Å; L102-L106 WeakPolarHBondContact O-CB 3.44Å; L102-L106 WeakPolarHBondContact O-CG 3.5Å; L102-L106 PolarHBondContact O-N 2.86Å; H103-L106 PolarHBondContact O-N 2.79Å; L106-F136 HydrophobicContact CD1-CB 4.14Å; L106-F136 HydrophobicContact CD1-CD1 4.22Å; L106-F136 HydrophobicContact CD1-CG 4.16Å; L106-V138 HydrophobicContact CD1-CG2 3.76Å; L106-V153 HydrophobicContact CB-CG2 4.26Å
107R64.6Low59Low134 Ų13473.5 Ų73.551%0.50639%0.388SS..Hα-helixtrans-68-62167.3-169.5-179.5179171.5-1.1110.5H103 S104 W105 T120 F121 S159H103-R107 WeakPolarHBondContact O-CB 3.11Å; H103-R107 PolarHBondContact O-N 2.88Å; S104-R107 CarbonylContact O-C 3.39Å; W105-R107 CarbonylContact O-C 3.57Å; W105-R107 PolarHBondContact O-N 2.87Å; R107-T120 HydrophobicContact CG-CG2 3.88Å; R107-T120 CarbonylContact O-C 3.58Å; R107-T120 WeakPolarHBondContact O-CA 2.95Å; R107-T120 WeakPolarHBondContact O-CB 3.38Å; R107-T120 WeakPolarHBondContact O-CG2 3.26Å; R107-F121 PolarHBondContact O-N 2.84Å; R107-S159 WeakPolarHBondContact CD-OG 3.39Å
108S53.4Low56.9Low81 Ų8181.2 Ų81.257%0.56643%0.428SS*.Hα-helixtrans-92.1-8.4-156.8-167.40000116.6S104 W105 A110S104-S108 WeakPolarHBondContact O-CA 3.3Å; S104-S108 WeakPolarHBondContact O-CB 3.46Å; S104-S108 PolarHBondContact O-N 2.96Å; W105-S108 PolarHBondContact O-N 2.9Å; W105-S108 VanDerWaalsContact O-N 3.1Å; S108-A110 PolarHBondContact O-N 3.46Å
109S49.7Very low54.6Low22 Ų2281 Ų8115%0.15443%0.429CS..  trans-81.491.2-157.5-61.40000115.3W105 F121W105-S109 VanDerWaalsContact C-OG 3.31Å; W105-S109 WeakPolarHBondContact CA-OG 3.13Å; W105-S109 PolarHBondContact NE1-OG 3.09Å; W105-S109 WeakPolarHBondContact O-CB 3.48Å; W105-S109 PolarHBondContact O-N 3.41Å; W105-S109 PolarHBondContact O-OG 2.99Å; S109-F121 WeakPolarHBondContact O-CB 3.37Å; S109-F121 VanDerWaalsContact O-CD2 3.26Å; S109-F121 WeakPolarHBondContact O-CD2 3.18Å
110A36.1Very low53.1Low40 Ų4082.6 Ų82.633%0.33144%0.439SS..  trans-9219.1167.900000113.3S108 L112S108-A110 PolarHBondContact O-N 3.46Å; A110-L112 PolarHBondContact O-N 3.18Å
111H37.3Very low51.6Low155 Ų15580 Ų8072%0.71843%0.425SS*.  trans-10096.6-174.3-138.6-95000112.8
112L32.4Very low50.3Low126 Ų12678.5 Ų78.566%0.6641%0.414SS*.SBendtrans-141.7-21.8135.4-122.9157.8000112.8A110A110-L112 PolarHBondContact O-N 3.18Å
113F31.7Very low49Very low171 Ų17182.6 Ų82.675%0.7543%0.432SS*.SBendtrans-149.9126.4173.6-70.4-77.7000113.1
114A32.2Very low47.7Very low86 Ų8686.3 Ų86.371%0.71145%0.446SS*.  trans71.4107.3159.500000118
115F30.1Very low46.9Very low187 Ų18786.9 Ų86.982%0.8244%0.439SS*.SBendtrans34.4112.7131.8-88-100.5000117.5
116I30.3Very low46.2Very low144 Ų14489.6 Ų89.674%0.73845%0.45SS*.  trans55.586.6149.3-53.3168.5000113.7
117D34Very low45.9Very low144 Ų14493 Ų9377%0.7747%0.473SS*.  trans-174.6128.7135.4-90.9-29.9000111.2S119D117-S119 PolarHBondContact O-N 2.84Å; D117-S119 VanDerWaalsContact O-N 3.14Å
118I32.8Very low46.2Very low176 Ų17694.9 Ų94.990%0.90348%0.481SS*.  trans-56.6105.7-174.1-68146.7000111
119S34.8Very low46.9Very low31 Ų3198.7 Ų98.722%0.21749%0.493CS..  trans-160.8111.4158.651.50000113.7D117D117-S119 PolarHBondContact O-N 2.84Å; D117-S119 VanDerWaalsContact O-N 3.14Å
120T48.8Very low48Very low34 Ų3498.8 Ų98.821%0.20949%0.492CS..  trans-34.9134169.1-57.70000113R107 F122 F123 R124R107-T120 HydrophobicContact CG-CG2 3.88Å; R107-T120 CarbonylContact O-C 3.58Å; R107-T120 WeakPolarHBondContact O-CA 2.95Å; R107-T120 WeakPolarHBondContact O-CB 3.38Å; R107-T120 WeakPolarHBondContact O-CG2 3.26Å; T120-F122 VanDerWaalsContact C-N 3.32Å; T120-F122 CarbonylContact O-C 3.57Å; T120-F122 PolarHBondContact O-N 2.84Å; T120-F122 VanDerWaalsContact O-N 3.17Å; T120-F123 HydrophobicContact CG2-CB 3.96Å; T120-F123 CarbonylContact O-C 3.51Å; T120-F123 WeakPolarHBondContact O-CA 3.2Å; T120-F123 WeakPolarHBondContact O-CB 3.48Å; T120-F123 PolarHBondContact O-N 3.38Å; T120-R124 PolarHBondContact O-N 2.73Å
121F53.5Low49.9Very low24 Ų2497.9 Ų97.911%0.10548%0.483CS..Hα-helixtrans-48.7-46.3-174175.2-104.5000113.8L77 L80 R107 S109 R125 F132L77-F121 HydrophobicContact CD2-CE1 3.3Å; L77-F121 HydrophobicContact CD2-CZ 3.41Å; L77-F121 VanDerWaalsContact CD2-CZ 3.41Å; L80-F121 HydrophobicContact CD1-CE2 4.17Å; L80-F121 HydrophobicContact CD1-CZ 3.85Å; R107-F121 PolarHBondContact O-N 2.84Å; S109-F121 WeakPolarHBondContact O-CB 3.37Å; S109-F121 VanDerWaalsContact O-CD2 3.26Å; S109-F121 WeakPolarHBondContact O-CD2 3.18Å; F121-R125 PolarHBondContact O-N 2.9Å; F121-F132 HydrophobicContact CD1-CE2 4.35Å; F121-F132 AromaticContact CE1-CD2 3.79Å; F121-F132 HydrophobicContact CE1-CD2 3.79Å; F121-F132 AromaticContact CE1-CE2 3.4Å; F121-F132 HydrophobicContact CE1-CE2 3.4Å; F121-F132 HydrophobicContact CE1-CZ 4.45Å; F121-F132 HydrophobicContact CE2-CE2 4.28Å; F121-F132 HydrophobicContact CZ-CD2 4.24Å; F121-F132 AromaticContact CZ-CE2 3.38Å; F121-F132 HydrophobicContact CZ-CE2 3.38Å; F121-F132 HydrophobicContact CZ-CZ 4.12Å
122F55.7Low52Low0 Ų090.8 Ų90.80%045%0.45CS..Hα-helixtrans-67.3-43.5171.3-85.9-93.4000113T120 R124 R125 R126 F132 F136 V153T120-F122 VanDerWaalsContact C-N 3.32Å; T120-F122 CarbonylContact O-C 3.57Å; T120-F122 PolarHBondContact O-N 2.84Å; T120-F122 VanDerWaalsContact O-N 3.17Å; F122-R124 PolarHBondContact O-N 3.01Å; F122-R125 PolarHBondContact O-N 3.37Å; F122-R126 VanDerWaalsContact O-CB 3.31Å; F122-R126 WeakPolarHBondContact O-CB 3.38Å; F122-R126 PolarHBondContact O-N 3.49Å; F122-F132 HydrophobicContact CD1-CB 4.33Å; F122-F132 HydrophobicContact CE1-CB 3.71Å; F122-F132 HydrophobicContact CZ-CB 4.27Å; F122-F136 HydrophobicContact CE2-CD2 4.17Å; F122-F136 HydrophobicContact CE2-CE2 4.34Å; F122-F136 AromaticContact CZ-CD2 3.63Å; F122-F136 HydrophobicContact CZ-CD2 3.63Å; F122-F136 AromaticContact CZ-CE2 3.63Å; F122-F136 HydrophobicContact CZ-CE2 3.63Å; F122-V153 HydrophobicContact CD2-CG1 3.81Å; F122-V153 HydrophobicContact CE2-CG1 4.04Å; F122-V153 HydrophobicContact CG-CG1 4.26Å
123F55.4Low54.6Low87 Ų8787.7 Ų87.738%0.38243%0.43SS..Hα-helixtrans-66.5-36.8-178.6-163.2-93.2000112.4T120 R126 S127T120-F123 HydrophobicContact CG2-CB 3.96Å; T120-F123 CarbonylContact O-C 3.51Å; T120-F123 WeakPolarHBondContact O-CA 3.2Å; T120-F123 WeakPolarHBondContact O-CB 3.48Å; T120-F123 PolarHBondContact O-N 3.38Å; F123-R126 CarbonylContact O-C 3.59Å; F123-R126 WeakPolarHBondContact O-CB 3.26Å; F123-R126 PolarHBondContact O-N 2.91Å; F123-S127 WeakPolarHBondContact O-CB 3.4Å; F123-S127 PolarHBondContact O-N 2.87Å; F123-S127 PolarHBondContact O-OG 3.04Å
124R55.6Low57.3Low86 Ų8679.6 Ų79.633%0.32539%0.394SS..Hα-helixtrans-65.9-43.5177.1-177172-178162.53111T120 F122 S127 R128T120-R124 PolarHBondContact O-N 2.73Å; F122-R124 PolarHBondContact O-N 3.01Å; R124-S127 PolarHBondContact O-N 2.73Å; R124-R128 WeakPolarHBondContact O-CG 3.2Å; R124-R128 PolarHBondContact O-N 2.73Å
125R64.5Low60.1Low67 Ų6776.7 Ų76.725%0.25337%0.369SS..Hα-helixtrans-65-42174.8-109.1-170.9170101.7-7.5111.4F121 F122 S127 R128 L129 N130 F132F121-R125 PolarHBondContact O-N 2.9Å; F122-R125 PolarHBondContact O-N 3.37Å; R125-S127 PolarHBondContact O-N 2.72Å; R125-R128 CarbonylContact O-C 3.59Å; R125-R128 PolarHBondContact O-N 3.17Å; R125-R128 VanDerWaalsContact O-N 3.14Å; R125-L129 PolarHBondContact O-N 3.07Å; R125-N130 CarbonylContact C-O 3.52Å; R125-N130 WeakPolarHBondContact CB-O 3.35Å; R125-N130 WeakPolarHBondContact CD-O 3.33Å; R125-N130 WeakPolarHBondContact CG-O 3.43Å; R125-N130 CarbonylContact O-C 3.6Å; R125-N130 VanDerWaalsContact O-C 3.29Å; R125-N130 PolarHBondContact O-N 3.48Å; R125-F132 VanDerWaalsContact CD-CD2 3.46Å; R125-F132 VanDerWaalsContact NE-CZ 3.34Å
126R63.7Low63.1Low87 Ų8767.8 Ų67.833%0.32833%0.33SS..Hα-helixtrans-57.3-45.3169.9-171.6-167.270.173.55.7112.5F122 F123 R128 L129F122-R126 VanDerWaalsContact O-CB 3.31Å; F122-R126 WeakPolarHBondContact O-CB 3.38Å; F122-R126 PolarHBondContact O-N 3.49Å; F123-R126 CarbonylContact O-C 3.59Å; F123-R126 WeakPolarHBondContact O-CB 3.26Å; F123-R126 PolarHBondContact O-N 2.91Å; R126-R128 PolarHBondContact O-N 3.36Å; R126-L129 WeakPolarHBondContact O-CA 2.91Å; R126-L129 PolarHBondContact O-N 3.46Å
127S68.2Low66.1Low71 Ų7161 Ų6150%0.49730%0.295SS..Hα-helixtrans-66.1-25.3177.9-62.80000112.8F123 R124 R125F123-S127 WeakPolarHBondContact O-CB 3.4Å; F123-S127 PolarHBondContact O-N 2.87Å; F123-S127 PolarHBondContact O-OG 3.04Å; R124-S127 PolarHBondContact O-N 2.73Å; R125-S127 PolarHBondContact O-N 2.72Å
128R70.1Confident69Low174 Ų17454.1 Ų54.166%0.65726%0.258SS*.THydrogen-bonded Turntrans-86.511.1169.6-69.2-177.2174.8-176.9-3.5113.3R124 R125 R126 N130R124-R128 WeakPolarHBondContact O-CG 3.2Å; R124-R128 PolarHBondContact O-N 2.73Å; R125-R128 CarbonylContact O-C 3.59Å; R125-R128 PolarHBondContact O-N 3.17Å; R125-R128 VanDerWaalsContact O-N 3.14Å; R126-R128 PolarHBondContact O-N 3.36Å; R128-N130 PolarHBondContact O-N 2.98Å
129L68.6Low71.9Confident160 Ų16045.7 Ų45.784%0.83822%0.215SC*.THydrogen-bonded Turntrans54.432.3-177.4-58.6173.1000113.3R125 R126R125-L129 PolarHBondContact O-N 3.07Å; R126-L129 WeakPolarHBondContact O-CA 2.91Å; R126-L129 PolarHBondContact O-N 3.46Å
130N72.5Confident74.6Confident25 Ų2544.2 Ų44.213%0.13421%0.205CC..  trans-138.669177.8-179.624.9000109.6L14 S15 R125 R128L14-N130 HydrophobicContact CD1-CB 4.29Å; L14-N130 WeakPolarHBondContact CD2-ND2 3.47Å; S15-N130 PolarHBondContact O-OD1 3.37Å; R125-N130 CarbonylContact C-O 3.52Å; R125-N130 WeakPolarHBondContact CB-O 3.35Å; R125-N130 WeakPolarHBondContact CD-O 3.33Å; R125-N130 WeakPolarHBondContact CG-O 3.43Å; R125-N130 CarbonylContact O-C 3.6Å; R125-N130 VanDerWaalsContact O-C 3.29Å; R125-N130 PolarHBondContact O-N 3.48Å; R128-N130 PolarHBondContact O-N 2.98Å
131P75.6Confident76.6Confident21 Ų2142.7 Ų42.714%0.13620%0.195CC..  trans-68.7158.6179.331.6-34.3000110.9W133P131-W133 HydrophobicContact CG-CD2 4.44Å; P131-W133 HydrophobicContact CG-CE3 4.11Å; P131-W133 HydrophobicContact CG-CH2 3.65Å; P131-W133 HydrophobicContact CG-CZ2 4.01Å; P131-W133 HydrophobicContact CG-CZ3 3.69Å; P131-W133 WeakPolarHBondContact O-CZ3 3.38Å
132F81.7Confident78.2Confident6 Ų642.7 Ų42.73%0.02620%0.197CC..  trans-81.1131.6160.3-73.9-62.7000108.7D73 F76 L77 F121 F122 R125 N134 L155D73-F132 HydrophobicContact CB-CD1 3.78Å; D73-F132 HydrophobicContact CB-CE1 4.46Å; D73-F132 WeakPolarHBondContact OD2-CA 3.38Å; F76-F132 AromaticContact CD1-CE1 3.75Å; F76-F132 HydrophobicContact CD1-CE1 3.75Å; F76-F132 AromaticContact CD1-CZ 3.59Å; F76-F132 HydrophobicContact CD1-CZ 3.59Å; F76-F132 HydrophobicContact CE1-CE1 4.28Å; F76-F132 AromaticContact CE1-CZ 3.75Å; F76-F132 HydrophobicContact CE1-CZ 3.75Å; L77-F132 HydrophobicContact CD1-CB 4.43Å; L77-F132 HydrophobicContact CD1-CD1 4.38Å; L77-F132 HydrophobicContact CD1-CD2 4.25Å; L77-F132 HydrophobicContact CD1-CG 4.13Å; L77-F132 HydrophobicContact CD2-CD2 4.11Å; L77-F132 HydrophobicContact CD2-CE1 4.45Å; L77-F132 HydrophobicContact CD2-CE2 3.67Å; L77-F132 HydrophobicContact CD2-CZ 3.82Å; L77-F132 HydrophobicContact CG-CE1 4.41Å; L77-F132 HydrophobicContact CG-CE2 4.38Å; L77-F132 HydrophobicContact CG-CZ 4.26Å; F121-F132 HydrophobicContact CD1-CE2 4.35Å; F121-F132 AromaticContact CE1-CD2 3.79Å; F121-F132 HydrophobicContact CE1-CD2 3.79Å; F121-F132 AromaticContact CE1-CE2 3.4Å; F121-F132 HydrophobicContact CE1-CE2 3.4Å; F121-F132 HydrophobicContact CE1-CZ 4.45Å; F121-F132 HydrophobicContact CE2-CE2 4.28Å; F121-F132 HydrophobicContact CZ-CD2 4.24Å; F121-F132 AromaticContact CZ-CE2 3.38Å; F121-F132 HydrophobicContact CZ-CE2 3.38Å; F121-F132 HydrophobicContact CZ-CZ 4.12Å; F122-F132 HydrophobicContact CD1-CB 4.33Å; F122-F132 HydrophobicContact CE1-CB 3.71Å; F122-F132 HydrophobicContact CZ-CB 4.27Å; R125-F132 VanDerWaalsContact CD-CD2 3.46Å; R125-F132 VanDerWaalsContact NE-CZ 3.34Å; F132-N134 PolarHBondContact O-N 3.2Å; F132-L155 WeakPolarHBondContact O-CB 3.38Å
133W85.9Confident79.4Confident60 Ų6044.2 Ų44.223%0.22721%0.213CC..  trans-81.542.6-178-93.4-94.3000112.9S15 Q16 P18 G69 D70 D73 P131S15-W133 WeakPolarHBondContact O-CZ3 3.4Å; Q16-W133 VanDerWaalsContact C-CH2 3.45Å; Q16-W133 WeakPolarHBondContact O-CH2 3.29Å; Q16-W133 WeakPolarHBondContact O-CZ2 3.11Å; P18-W133 HydrophobicContact CB-CB 4.03Å; P18-W133 HydrophobicContact CB-CG 4.16Å; P18-W133 HydrophobicContact CG-CG 4.22Å; G69-W133 CarbonylContact C-O 3.29Å; G69-W133 WeakPolarHBondContact CA-O 3.47Å; D70-W133 HydrophobicContact CB-CB 3.88Å; D70-W133 PolarHBondContact N-O 3.27Å; D73-W133 PolarHBondContact OD2-N 3.5Å; P131-W133 HydrophobicContact CG-CD2 4.44Å; P131-W133 HydrophobicContact CG-CE3 4.11Å; P131-W133 HydrophobicContact CG-CH2 3.65Å; P131-W133 HydrophobicContact CG-CZ2 4.01Å; P131-W133 HydrophobicContact CG-CZ3 3.69Å; P131-W133 WeakPolarHBondContact O-CZ3 3.38Å
134N89.8Confident80.4Confident1 Ų145.8 Ų45.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-122.1146.8-174.7-75.8-32.1000112.9V67 G68 G69 D70 D73 Y74 F132 F136 L155V67-N134 HydrophobicContact CG1-CB 4.23Å; G68-N134 CarbonylContact O-C 3.55Å; G68-N134 WeakPolarHBondContact O-CA 3.42Å; G68-N134 PolarHBondContact O-OD1 3.5Å; G69-N134 VanDerWaalsContact C-OD1 3.28Å; D70-N134 PolarHBondContact N-OD1 3.46Å; D70-N134 PolarHBondContact O-ND2 3.29Å; D70-N134 PolarHBondContact O-OD1 3.32Å; D73-N134 WeakPolarHBondContact CB-ND2 3.17Å; Y74-N134 PolarHBondContact N-ND2 3.02Å; F132-N134 PolarHBondContact O-N 3.2Å; N134-F136 HydrophobicContact CB-CD2 4.01Å; N134-F136 HydrophobicContact CB-CE2 3.39Å; N134-F136 HydrophobicContact CB-CZ 4.12Å; N134-L155 WeakPolarHBondContact O-CA 3.2Å; N134-L155 PolarHBondContact O-N 2.9Å; N134-L155 VanDerWaalsContact O-N 3.17Å
135S91.4Very high81.4Confident26 Ų2648.8 Ų48.818%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-116.3120.8165.9-56.70000108.2G68 V153G68-S135 PolarHBondContact N-O 3.1Å; G68-S135 PolarHBondContact O-N 2.87Å; S135-V153 CarbonylContact C-O 3.17Å; S135-V153 WeakPolarHBondContact CA-O 3.45Å
136F91.9Very high82.3Confident0 Ų047.2 Ų47.20%025%0.246CC..EExtended strand (participates in β ladder)trans-101.7136.9-177.3-76.7-90.4000110.4I65 V67 Y74 L77 L106 F122 N134 T152 V153I65-F136 HydrophobicContact CG2-CD1 3.7Å; I65-F136 HydrophobicContact CG2-CE1 4.22Å; V67-F136 HydrophobicContact CB-CE1 4.33Å; V67-F136 HydrophobicContact CG1-CD1 4.41Å; V67-F136 HydrophobicContact CG1-CE1 4Å; V67-F136 HydrophobicContact CG1-CE2 4.44Å; V67-F136 HydrophobicContact CG1-CZ 3.99Å; V67-F136 HydrophobicContact CG2-CD1 3.56Å; V67-F136 HydrophobicContact CG2-CE1 3.34Å; V67-F136 HydrophobicContact CG2-CZ 4.15Å; Y74-F136 HydrophobicContact CD2-CE1 4.25Å; Y74-F136 HydrophobicContact CD2-CZ 4.39Å; L77-F136 HydrophobicContact CB-CZ 4.2Å; L77-F136 HydrophobicContact CD1-CE2 3.46Å; L77-F136 VanDerWaalsContact CD1-CE2 3.46Å; L77-F136 HydrophobicContact CD1-CZ 3.33Å; L77-F136 HydrophobicContact CG-CZ 4.37Å; L106-F136 HydrophobicContact CD1-CB 4.14Å; L106-F136 HydrophobicContact CD1-CD1 4.22Å; L106-F136 HydrophobicContact CD1-CG 4.16Å; F122-F136 HydrophobicContact CE2-CD2 4.17Å; F122-F136 HydrophobicContact CE2-CE2 4.34Å; F122-F136 AromaticContact CZ-CD2 3.63Å; F122-F136 HydrophobicContact CZ-CD2 3.63Å; F122-F136 AromaticContact CZ-CE2 3.63Å; F122-F136 HydrophobicContact CZ-CE2 3.63Å; N134-F136 HydrophobicContact CB-CD2 4.01Å; N134-F136 HydrophobicContact CB-CE2 3.39Å; N134-F136 HydrophobicContact CB-CZ 4.12Å; F136-T152 CarbonylContact O-C 3.56Å; F136-T152 VanDerWaalsContact O-CA 3.3Å; F136-T152 WeakPolarHBondContact O-CA 3.22Å; F136-V153 HydrophobicContact CB-CB 4.37Å; F136-V153 PolarHBondContact N-O 3.08Å; F136-V153 PolarHBondContact O-N 3.18Å
137V94Very high83.5Confident0 Ų049.4 Ų49.40%026%0.26CS..EExtended strand (participates in β ladder)trans-117.4117.5167.2-175.90000107.3V25 A27 I36 I65 G66 L150 V165 T167V25-V137 HydrophobicContact CB-CG2 4.31Å; V25-V137 HydrophobicContact CG1-CB 4.28Å; V25-V137 HydrophobicContact CG1-CG2 4.08Å; A27-V137 HydrophobicContact CB-CG1 3.81Å; I36-V137 HydrophobicContact CD1-CB 4.05Å; I36-V137 HydrophobicContact CD1-CG1 3.92Å; I65-V137 WeakPolarHBondContact CA-O 3.35Å; G66-V137 PolarHBondContact N-O 2.99Å; G66-V137 PolarHBondContact O-N 3.35Å; V137-L150 HydrophobicContact CG1-CD1 3.59Å; V137-V165 HydrophobicContact CG1-CB 4.47Å; V137-V165 HydrophobicContact CG1-CG1 4.1Å; V137-V165 HydrophobicContact CG2-CG1 3.76Å; V137-T167 HydrophobicContact CG2-CG2 3.59Å
138V93.7Very high84.6Confident0 Ų047.7 Ų47.70%025%0.247CC..EExtended strand (participates in β ladder)trans-105113.2179-176.20000107.9T63 A99 L102 H103 L106 L150 G151T63-V138 HydrophobicContact CG2-CG1 4.17Å; A99-V138 HydrophobicContact CB-CG1 4.07Å; L102-V138 HydrophobicContact CD2-CB 4.47Å; L102-V138 HydrophobicContact CD2-CG1 3.93Å; L102-V138 HydrophobicContact CD2-CG2 3.63Å; H103-V138 HydrophobicContact CB-CB 4.44Å; H103-V138 HydrophobicContact CB-CG1 4.49Å; H103-V138 HydrophobicContact CB-CG2 4.47Å; L106-V138 HydrophobicContact CD1-CG2 3.76Å; V138-L150 WeakPolarHBondContact O-CA 3.38Å; V138-G151 PolarHBondContact N-O 2.87Å; V138-G151 PolarHBondContact O-N 3.37Å
139A93.9Very high85.7Confident0 Ų041.3 Ų41.30%022%0.224CC..EExtended strand (participates in β ladder)trans-109.2138.3175.800000109.6V34 L64 L150V34-A139 HydrophobicContact CB-CB 4.12Å; V34-A139 HydrophobicContact CG1-CB 3.66Å; L64-A139 PolarHBondContact N-O 3.18Å; L64-A139 PolarHBondContact O-N 3.25Å; A139-L150 HydrophobicContact CB-CD1 4.3Å
140G92.1Very high86.9Confident0 Ų033.9 Ų33.90%019%0.185CC..EExtended strand (participates in β ladder)trans-177.9-169.7171.400000113.5K62 Y149K62-G140 WeakPolarHBondContact O-CA 3.49Å; G140-Y149 PolarHBondContact N-O 2.73Å; G140-Y149 PolarHBondContact O-N 2.87Å
141V91.1Very high87.8Confident1 Ų132.7 Ų32.71%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-125.2126.8-177.5169.10000107.7K62 N146 E147 V224K62-V141 PolarHBondContact O-N 3.49Å; K62-V141 VanDerWaalsContact O-N 3.17Å; V141-N146 VanDerWaalsContact CG1-C 3.44Å; V141-N146 HydrophobicContact CG1-CB 3.3Å; V141-E147 CarbonylContact C-O 3.58Å; V141-E147 WeakPolarHBondContact CA-O 3.41Å; V141-V224 HydrophobicContact CG2-CG1 4.04Å
142V86.6Confident88.6Confident25 Ų2531.7 Ų31.715%0.15217%0.172CC..EExtended strand (participates in β ladder)trans-122145.7-171.3-177.30000110.3A99 L100 E147 Y149A99-V142 HydrophobicContact CB-CG2 4.05Å; L100-V142 HydrophobicContact CB-CG1 4.26Å; L100-V142 HydrophobicContact CB-CG2 4.16Å; V142-E147 PolarHBondContact N-O 2.78Å; V142-E147 PolarHBondContact O-N 2.75Å; V142-Y149 HydrophobicContact CG2-CG 4.06Å
143G80.2Confident89Confident32 Ų3231.4 Ų31.433%0.3317%0.171SC..THydrogen-bonded Turntrans85.5174.6174.200000114.8N146G143-N146 PolarHBondContact O-N 3.19Å
144P76.6Confident89Confident119 Ų11931 Ų3177%0.77317%0.173SC*.THydrogen-bonded Turntrans-68-35.617627-32.4000112.1N146P144-N146 PolarHBondContact O-N 2.93Å
145E77.6Confident88.6Confident149 Ų14933.7 Ų33.770%0.69619%0.187SC*.THydrogen-bonded Turntrans-75.7-2178.4-60.3-53.9139.500113.7E147E145-E147 HydrophobicContact CB-CG 4.33Å; E145-E147 PolarHBondContact O-N 3.17Å
146N83.9Confident88.1Confident35 Ų3537.2 Ų37.219%0.18720%0.203CC..THydrogen-bonded Turntrans53.552.9-177.8-65.9-54.6000112.6K62 V141 G143 P144 K226K62-N146 PolarHBondContact NZ-OD1 3.46Å; V141-N146 VanDerWaalsContact CG1-C 3.44Å; V141-N146 HydrophobicContact CG1-CB 3.3Å; G143-N146 PolarHBondContact O-N 3.19Å; P144-N146 PolarHBondContact O-N 2.93Å; N146-K226 HydrophobicContact CB-CB 4.5Å; N146-K226 HydrophobicContact CB-CD 4.29Å; N146-K226 HydrophobicContact CB-CG 3.78Å
147E88.6Confident87.4Confident132 Ų13237.8 Ų37.862%0.61721%0.209SC*.EExtended strand (participates in β ladder)trans-71.1131.7175.8-66.3-179.7176.900110.5V141 V142 E145V141-E147 CarbonylContact C-O 3.58Å; V141-E147 WeakPolarHBondContact CA-O 3.41Å; V142-E147 PolarHBondContact N-O 2.78Å; V142-E147 PolarHBondContact O-N 2.75Å; E145-E147 HydrophobicContact CB-CG 4.33Å; E145-E147 PolarHBondContact O-N 3.17Å
148P91.9Very high87Confident35 Ų3541.6 Ų41.623%0.22723%0.232CC..EExtended strand (participates in β ladder)trans-68.2137177.328.8-34.5000110.5M29 V34M29-P148 HydrophobicContact CE-CB 4.04Å; M29-P148 HydrophobicContact CE-CG 4.2Å; M29-P148 WeakPolarHBondContact CE-O 3.37Å; M29-P148 HydrophobicContact CG-CB 3.78Å; M29-P148 HydrophobicContact CG-CG 3.7Å; M29-P148 HydrophobicContact SD-CB 4.08Å; M29-P148 HydrophobicContact SD-CG 3.68Å; V34-P148 HydrophobicContact CG2-CB 3.75Å
149Y92.5Very high86.7Confident41 Ų4142.8 Ų42.816%0.16124%0.241CC..EExtended strand (participates in β ladder)trans-128.2128.9-177.9-174-96.2000110.5A99 L100 H103 G140 V142 T161A99-Y149 HydrophobicContact CB-CD1 3.92Å; L100-Y149 HydrophobicContact CD1-CE2 3.82Å; L100-Y149 VanDerWaalsContact CD1-OH 3.3Å; L100-Y149 WeakPolarHBondContact CD1-OH 3.41Å; H103-Y149 HydrophobicContact CB-CE1 3.97Å; H103-Y149 AromaticContact ND1-CE1 3.66Å; H103-Y149 AromaticContact ND1-CZ 3.59Å; H103-Y149 PolarHBondContact ND1-OH 2.92Å; G140-Y149 PolarHBondContact N-O 2.73Å; G140-Y149 PolarHBondContact O-N 2.87Å; V142-Y149 HydrophobicContact CG2-CG 4.06Å; Y149-T161 HydrophobicContact CE2-CG2 3.85Å; Y149-T161 VanDerWaalsContact OH-CG2 3.3Å; Y149-T161 WeakPolarHBondContact OH-CG2 3.34Å
150L93.5Very high86.5Confident3 Ų347 Ų472%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-132.5118176.2-177.861.3000109.6A27 M29 V34 V137 V138 A139 T161 N162 V165A27-L150 HydrophobicContact CB-CD1 3.62Å; A27-L150 HydrophobicContact CB-CD2 3.91Å; A27-L150 HydrophobicContact CB-CG 4.43Å; M29-L150 HydrophobicContact CE-CB 4.21Å; V34-L150 HydrophobicContact CG1-CD1 4.16Å; V137-L150 HydrophobicContact CG1-CD1 3.59Å; V138-L150 WeakPolarHBondContact O-CA 3.38Å; A139-L150 HydrophobicContact CB-CD1 4.3Å; L150-T161 WeakPolarHBondContact O-CA 3.41Å; L150-N162 WeakPolarHBondContact CB-O 3.39Å; L150-V165 HydrophobicContact CD1-CG2 4.34Å; L150-V165 HydrophobicContact CD2-CB 4.04Å; L150-V165 HydrophobicContact CD2-CG2 3.64Å; L150-V165 HydrophobicContact CG-CB 4.42Å; L150-V165 HydrophobicContact CG-CG2 3.74Å
151G92Very high86.5Confident0 Ų051 Ų510%028%0.282CS..EExtended strand (participates in β ladder)trans-128.6148.3-178.900000111.7V138V138-G151 PolarHBondContact N-O 2.87Å; V138-G151 PolarHBondContact O-N 3.37Å
152T91.6Very high86.5Confident0 Ų053.9 Ų53.90%030%0.297CS..EExtended strand (participates in β ladder)trans-125.4147.117963.30000111.1H103 F136 S159 Y160 V165H103-T152 PolarHBondContact NE2-O 3.43Å; H103-T152 VanDerWaalsContact NE2-O 3.1Å; F136-T152 CarbonylContact O-C 3.56Å; F136-T152 VanDerWaalsContact O-CA 3.3Å; F136-T152 WeakPolarHBondContact O-CA 3.22Å; T152-S159 WeakPolarHBondContact O-CA 3.46Å; T152-Y160 HydrophobicContact CG2-CE2 4.1Å; T152-Y160 PolarHBondContact N-O 2.8Å; T152-Y160 PolarHBondContact O-N 2.85Å; T152-Y160 WeakPolarHBondContact OG1-CD1 3.47Å; T152-Y160 WeakPolarHBondContact OG1-CE1 3.44Å; T152-Y160 WeakPolarHBondContact OG1-CE2 3.33Å; T152-Y160 PolarHBondContact OG1-O 3.28Å; T152-V165 HydrophobicContact CG2-CB 3.83Å; T152-V165 HydrophobicContact CG2-CG1 3.23Å; T152-V165 HydrophobicContact CG2-CG2 3.2Å
153V89.6Confident86.8Confident1 Ų158 Ų581%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-137118.5170.8-174.10000108.7H103 L106 F122 S135 F136 V158H103-V153 WeakPolarHBondContact CD2-CG2 3.19Å; L106-V153 HydrophobicContact CB-CG2 4.26Å; F122-V153 HydrophobicContact CD2-CG1 3.81Å; F122-V153 HydrophobicContact CE2-CG1 4.04Å; F122-V153 HydrophobicContact CG-CG1 4.26Å; S135-V153 CarbonylContact C-O 3.17Å; S135-V153 WeakPolarHBondContact CA-O 3.45Å; F136-V153 HydrophobicContact CB-CB 4.37Å; F136-V153 PolarHBondContact N-O 3.08Å; F136-V153 PolarHBondContact O-N 3.18Å; V153-V158 WeakPolarHBondContact CA-O 3.45Å
154N85.9Confident87.4Confident50 Ų5057.7 Ų57.727%0.26730%0.302SS..  trans-89.9166.7176.4-68.9-5.9000111.5L156 G157 V158N154-L156 PolarHBondContact O-N 2.86Å; N154-G157 WeakPolarHBondContact O-CA 3.35Å; N154-G157 PolarHBondContact O-N 2.9Å; N154-V158 PolarHBondContact N-O 2.96Å
155L82.4Confident88.3Confident59 Ų5952.1 Ų52.131%0.30927%0.266SS..THydrogen-bonded Turntrans-53.4-28.3177.973.191.8000114F132 N134 G157F132-L155 WeakPolarHBondContact O-CB 3.38Å; N134-L155 WeakPolarHBondContact O-CA 3.2Å; N134-L155 PolarHBondContact O-N 2.9Å; N134-L155 VanDerWaalsContact O-N 3.17Å; L155-G157 PolarHBondContact O-N 3.31Å
156L80.5Confident89Confident99 Ų9945.2 Ų45.252%0.51823%0.234SC..THydrogen-bonded Turntrans-77.5-7.4178.2-63.6176000113.3N154 V158N154-L156 PolarHBondContact O-N 2.86Å; L156-V158 VanDerWaalsContact C-N 3.31Å; L156-V158 HydrophobicContact CB-CG2 4.19Å
157G76.8Confident89.5Confident13 Ų1343.9 Ų43.913%0.13423%0.227CC..  trans79.212.5-171.500000113.8N154 L155 S159N154-G157 WeakPolarHBondContact O-CA 3.35Å; N154-G157 PolarHBondContact O-N 2.9Å; L155-G157 PolarHBondContact O-N 3.31Å; G157-S159 PolarHBondContact O-N 2.85Å
158V85.2Confident89.6Confident79 Ų7939.6 Ų39.648%0.47922%0.219SC..  trans-70.5123.5170.1178.20000107.8V153 N154 L156 Y160V153-V158 WeakPolarHBondContact CA-O 3.45Å; N154-V158 PolarHBondContact N-O 2.96Å; L156-V158 VanDerWaalsContact C-N 3.31Å; L156-V158 HydrophobicContact CB-CG2 4.19Å; V158-Y160 HydrophobicContact CG1-CD1 4.45Å
159S87.5Confident89.6Confident25 Ų2541.8 Ų41.818%0.17523%0.228CC..EExtended strand (participates in β ladder)trans-124.9130.7179.264.50000110.8R107 T152 G157R107-S159 WeakPolarHBondContact CD-OG 3.39Å; T152-S159 WeakPolarHBondContact O-CA 3.46Å; G157-S159 PolarHBondContact O-N 2.85Å
160Y90.2Very high89.6Confident90 Ų9039.9 Ų39.935%0.35322%0.221SC..EExtended strand (participates in β ladder)trans-145.2159.9173.764.3-90.5000111.1T152 V158 N162T152-Y160 HydrophobicContact CG2-CE2 4.1Å; T152-Y160 PolarHBondContact N-O 2.8Å; T152-Y160 PolarHBondContact O-N 2.85Å; T152-Y160 WeakPolarHBondContact OG1-CD1 3.47Å; T152-Y160 WeakPolarHBondContact OG1-CE1 3.44Å; T152-Y160 WeakPolarHBondContact OG1-CE2 3.33Å; T152-Y160 PolarHBondContact OG1-O 3.28Å; V158-Y160 HydrophobicContact CG1-CD1 4.45Å; Y160-N162 HydrophobicContact CD2-CB 4.22Å; Y160-N162 HydrophobicContact CE2-CB 4.28Å
161T91.8Very high89.5Confident83 Ų8341.1 Ų41.151%0.50923%0.23SC..EExtended strand (participates in β ladder)trans-114.4132.1175.751.90000108.8Y149 L150Y149-T161 HydrophobicContact CE2-CG2 3.85Å; Y149-T161 VanDerWaalsContact OH-CG2 3.3Å; Y149-T161 WeakPolarHBondContact OH-CG2 3.34Å; L150-T161 WeakPolarHBondContact O-CA 3.41Å
162N91.9Very high89.6Confident62 Ų6250.1 Ų50.133%0.33227%0.265SS..  trans-148.4163.4177.3-163.43.2000110L150 Y160 Y164L150-N162 WeakPolarHBondContact CB-O 3.39Å; Y160-N162 HydrophobicContact CD2-CB 4.22Å; Y160-N162 HydrophobicContact CE2-CB 4.28Å; N162-Y164 WeakPolarHBondContact CB-O 3.4Å; N162-Y164 PolarHBondContact ND2-O 3.01Å; N162-Y164 PolarHBondContact O-N 3.42Å
163K92.2Very high89.7Confident110 Ų11053.2 Ų53.248%0.47828%0.281SS..SBendtrans-69.6-23.1177.5-64.9-171.1177.3-165.30113M29 L182M29-K163 HydrophobicContact CB-CB 4.48Å; M29-K163 WeakPolarHBondContact CB-O 3.39Å; M29-K163 PolarHBondContact N-O 3.47Å; M29-K163 HydrophobicContact SD-CG 4.43Å; K163-L182 HydrophobicContact CB-CD1 4.13Å
164Y93.7Very high89.9Confident26 Ų2653.1 Ų53.110%0.10228%0.281CS..EExtended strand (participates in β ladder)trans-139.6149.8177.360.7-75.6000109.1A27 N162 Q175 L178 E179 L182A27-Y164 WeakPolarHBondContact O-CA 3.22Å; N162-Y164 WeakPolarHBondContact CB-O 3.4Å; N162-Y164 PolarHBondContact ND2-O 3.01Å; N162-Y164 PolarHBondContact O-N 3.42Å; Y164-Q175 HydrophobicContact CD2-CG 4.18Å; Y164-Q175 HydrophobicContact CE2-CG 3.61Å; Y164-L178 HydrophobicContact CD2-CB 3.88Å; Y164-L178 HydrophobicContact CD2-CD1 4.39Å; Y164-L178 HydrophobicContact CG-CB 4.15Å; Y164-E179 HydrophobicContact CE1-CB 4.49Å; Y164-E179 HydrophobicContact CE2-CB 4.04Å; Y164-E179 WeakPolarHBondContact OH-CG 3.37Å; Y164-E179 PolarHBondContact OH-OE2 2.88Å; Y164-L182 HydrophobicContact CD1-CD1 3.32Å; Y164-L182 HydrophobicContact CE1-CD1 4.07Å; Y164-L182 HydrophobicContact CG-CD1 3.95Å
165V94.1Very high90.2Very high2 Ų253.9 Ų53.91%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-144.4135.6-178.7166.70000108.4V26 A27 V137 L150 T152 T167V26-V165 CarbonylContact C-O 3.36Å; V26-V165 WeakPolarHBondContact CA-O 3.49Å; A27-V165 HydrophobicContact CB-CB 4.44Å; A27-V165 PolarHBondContact N-O 3.2Å; A27-V165 PolarHBondContact O-N 3.43Å; V137-V165 HydrophobicContact CG1-CB 4.47Å; V137-V165 HydrophobicContact CG1-CG1 4.1Å; V137-V165 HydrophobicContact CG2-CG1 3.76Å; L150-V165 HydrophobicContact CD1-CG2 4.34Å; L150-V165 HydrophobicContact CD2-CB 4.04Å; L150-V165 HydrophobicContact CD2-CG2 3.64Å; L150-V165 HydrophobicContact CG-CB 4.42Å; L150-V165 HydrophobicContact CG-CG2 3.74Å; T152-V165 HydrophobicContact CG2-CB 3.83Å; T152-V165 HydrophobicContact CG2-CG1 3.23Å; T152-V165 HydrophobicContact CG2-CG2 3.2Å; V165-T167 HydrophobicContact CG1-CG2 4.35Å
166A94.3Very high90.7Very high4 Ų456.2 Ų56.23%0.03329%0.292CS..EExtended strand (participates in β ladder)trans-132.6141.4161.600000109.1V25 V26 G170V25-A166 WeakPolarHBondContact O-CA 3.49Å; V26-A166 HydrophobicContact CG2-CB 4.2Å; A166-G170 VanDerWaalsContact CB-C 3.42Å; A166-G170 WeakPolarHBondContact CB-O 3.02Å
167T93.1Very high91.3Very high7 Ų754 Ų544%0.04328%0.281CS..  trans-111.9162.8177.856.20000110.4S24 V25 V137 V165 G170S24-T167 WeakPolarHBondContact CA-O 3.42Å; S24-T167 WeakPolarHBondContact CB-O 3.37Å; S24-T167 PolarHBondContact OG-O 3.26Å; V25-T167 WeakPolarHBondContact CA-OG1 3.43Å; V25-T167 WeakPolarHBondContact CB-OG1 3.29Å; V25-T167 PolarHBondContact N-OG1 3.36Å; V25-T167 PolarHBondContact O-N 3.05Å; V25-T167 PolarHBondContact O-OG1 3.09Å; V25-T167 VanDerWaalsContact O-OG1 3.05Å; V137-T167 HydrophobicContact CG2-CG2 3.59Å; V165-T167 HydrophobicContact CG1-CG2 4.35Å; T167-G170 PolarHBondContact O-N 3.24Å
168G90.8Very high92Very high43 Ų4353.5 Ų53.544%0.44328%0.275SS..THydrogen-bonded Turntrans62.8-140.9179.200000112.8G170 S171G168-G170 PolarHBondContact O-N 3.27Å; G168-S171 PolarHBondContact O-N 3.05Å; G168-S171 PolarHBondContact O-OG 2.83Å
169L91.8Very high92.4Very high81 Ų8153.1 Ų53.142%0.42427%0.268SS..THydrogen-bonded Turntrans-64.8-23.8177-79.7168.5000112.9S24 S171 Y172 L173 D212S24-L169 PolarHBondContact OG-N 3.37Å; L169-S171 PolarHBondContact O-N 3.24Å; L169-Y172 HydrophobicContact CD2-CD2 4.37Å; L169-Y172 PolarHBondContact O-N 2.8Å; L169-L173 PolarHBondContact O-N 2.98Å; L169-D212 HydrophobicContact CD1-CB 4.3Å; L169-D212 WeakPolarHBondContact CD1-OD1 3.39Å
170G91.9Very high92.6Very high0 Ų055.5 Ų55.50%028%0.278CS..Hα-helixtrans-62-27.4175.400000114.3S24 A166 T167 G168 Y172 V174 Q175S24-G170 PolarHBondContact OG-N 2.96Å; A166-G170 VanDerWaalsContact CB-C 3.42Å; A166-G170 WeakPolarHBondContact CB-O 3.02Å; T167-G170 PolarHBondContact O-N 3.24Å; G168-G170 PolarHBondContact O-N 3.27Å; G170-Y172 PolarHBondContact O-N 2.96Å; G170-V174 WeakPolarHBondContact O-CB 3.14Å; G170-V174 PolarHBondContact O-N 3.25Å; G170-Q175 PolarHBondContact O-N 3.39Å
171S92.4Very high92.6Very high30 Ų3052 Ų5221%0.2127%0.268CS..Hα-helixtrans-62.4-30173.364.60000112.9G168 L169 Q175G168-S171 PolarHBondContact O-N 3.05Å; G168-S171 PolarHBondContact O-OG 2.83Å; L169-S171 PolarHBondContact O-N 3.24Å; S171-Q175 WeakPolarHBondContact O-CB 3.19Å; S171-Q175 PolarHBondContact O-OE1 3.49Å; S171-Q175 VanDerWaalsContact O-OE1 3.1Å
172Y93.9Very high92.5Very high188 Ų18849 Ų4974%0.73725%0.249SC*.Hα-helixtrans-91.2-35.6-179.9-54.1-73.7000112.8L169 G170L169-Y172 HydrophobicContact CD2-CD2 4.37Å; L169-Y172 PolarHBondContact O-N 2.8Å; G170-Y172 PolarHBondContact O-N 2.96Å
173L93.5Very high92.4Very high65 Ų6548.1 Ų48.134%0.3425%0.248SC..Hα-helixtrans-90.4-41.5-172.6-65.8174000113.4L169 I207 L208 R211L169-L173 PolarHBondContact O-N 2.98Å; L173-I207 HydrophobicContact CB-CG2 4.39Å; L173-L208 HydrophobicContact CD1-CD2 4.16Å; L173-R211 HydrophobicContact CD1-CB 3.83Å; L173-R211 HydrophobicContact CD2-CB 4.48Å
174V93.8Very high92.2Very high0 Ų049.1 Ų49.10%025%0.252CS..THydrogen-bonded Turntrans-106.6-25.1-165.5170.50000112.2V26 G170 Q176 L177 L178 C204 L208V26-V174 HydrophobicContact CG1-CG1 4.26Å; G170-V174 WeakPolarHBondContact O-CB 3.14Å; G170-V174 PolarHBondContact O-N 3.25Å; V174-Q176 VanDerWaalsContact C-N 3.26Å; V174-Q176 PolarHBondContact O-N 3.1Å; V174-L177 WeakPolarHBondContact O-CB 3.04Å; V174-L177 PolarHBondContact O-N 3.04Å; V174-L178 HydrophobicContact CG1-CD1 3.89Å; V174-L178 HydrophobicContact CG1-CG 3.97Å; V174-L178 PolarHBondContact O-N 2.58Å; V174-L178 VanDerWaalsContact O-N 3.12Å; V174-C204 HydrophobicContact CB-CB 4.5Å; V174-C204 HydrophobicContact CG1-CB 3.46Å; V174-C204 VanDerWaalsContact CG1-CB 3.46Å; V174-C204 WeakPolarHBondContact CG1-SG 3.1Å; V174-C204 HydrophobicContact CG2-CB 4.2Å; V174-C204 WeakPolarHBondContact CG2-O 3.19Å; V174-L208 HydrophobicContact CG2-CD1 4.18Å; V174-L208 HydrophobicContact CG2-CD2 4.06Å; V174-L208 HydrophobicContact CG2-CG 3.74Å
175Q92.2Very high91.8Very high66 Ų6651 Ų5131%0.30826%0.259SS..Hα-helixtrans-55.1-41.5-175.4-170.8170.9-28.200112.7Y164 G170 S171 L178 E179Y164-Q175 HydrophobicContact CD2-CG 4.18Å; Y164-Q175 HydrophobicContact CE2-CG 3.61Å; G170-Q175 PolarHBondContact O-N 3.39Å; S171-Q175 WeakPolarHBondContact O-CB 3.19Å; S171-Q175 PolarHBondContact O-OE1 3.49Å; S171-Q175 VanDerWaalsContact O-OE1 3.1Å; Q175-L178 PolarHBondContact O-N 2.83Å; Q175-E179 WeakPolarHBondContact O-CB 3.4Å; Q175-E179 PolarHBondContact O-N 2.87Å
176Q92.5Very high91.3Very high108 Ų10857.5 Ų57.551%0.50529%0.287SS..Hα-helixtrans-66.5-36.3177.2-16963.645.900112.7V174 E179 N180V174-Q176 VanDerWaalsContact C-N 3.26Å; V174-Q176 PolarHBondContact O-N 3.1Å; Q176-E179 PolarHBondContact O-N 2.99Å; Q176-N180 PolarHBondContact NE2-OD1 2.9Å; Q176-N180 VanDerWaalsContact O-CB 3.29Å; Q176-N180 WeakPolarHBondContact O-CB 3.39Å; Q176-N180 PolarHBondContact O-N 3.28Å; Q176-N180 PolarHBondContact O-ND2 3.12Å; Q176-N180 PolarHBondContact O-OD1 3.45Å
177L93.4Very high90.7Very high53 Ų5365.2 Ų65.228%0.27732%0.322SS..Hα-helixtrans-63.1-46177.4-176.271.8000110.5V174 N180 A181 E203 I207V174-L177 WeakPolarHBondContact O-CB 3.04Å; V174-L177 PolarHBondContact O-N 3.04Å; L177-N180 PolarHBondContact O-N 2.97Å; L177-A181 WeakPolarHBondContact O-CB 3.43Å; L177-A181 PolarHBondContact O-N 2.71Å; L177-E203 HydrophobicContact CD2-CB 4.36Å; L177-I207 HydrophobicContact CD2-CD1 3.72Å
178L93Very high90.1Very high1 Ų170.2 Ų70.21%0.00535%0.345CS..Hα-helixtrans-63.9-42.7177.8-66.4172.9000111.8V26 L28 Y164 V174 Q175 A181 L182 C204V26-L178 HydrophobicContact CG1-CD1 3.71Å; L28-L178 HydrophobicContact CD1-CD2 4.35Å; L28-L178 HydrophobicContact CD2-CD2 4.24Å; Y164-L178 HydrophobicContact CD2-CB 3.88Å; Y164-L178 HydrophobicContact CD2-CD1 4.39Å; Y164-L178 HydrophobicContact CG-CB 4.15Å; V174-L178 HydrophobicContact CG1-CD1 3.89Å; V174-L178 HydrophobicContact CG1-CG 3.97Å; V174-L178 PolarHBondContact O-N 2.58Å; V174-L178 VanDerWaalsContact O-N 3.12Å; Q175-L178 PolarHBondContact O-N 2.83Å; L178-A181 PolarHBondContact O-N 3.19Å; L178-L182 WeakPolarHBondContact O-CB 3.19Å; L178-L182 WeakPolarHBondContact O-CG 3.41Å; L178-L182 PolarHBondContact O-N 3.44Å; L178-C204 VanDerWaalsContact CD2-SG 3.57Å
179E92.3Very high89.2Confident71 Ų7172.6 Ų72.633%0.33236%0.361SS..Hα-helixtrans-64.7-44178-173.3166.9166.500112.1Y164 Q175 Q176 A181 L182 S183Y164-E179 HydrophobicContact CE1-CB 4.49Å; Y164-E179 HydrophobicContact CE2-CB 4.04Å; Y164-E179 WeakPolarHBondContact OH-CG 3.37Å; Y164-E179 PolarHBondContact OH-OE2 2.88Å; Q175-E179 WeakPolarHBondContact O-CB 3.4Å; Q175-E179 PolarHBondContact O-N 2.87Å; Q176-E179 PolarHBondContact O-N 2.99Å; E179-A181 PolarHBondContact O-N 3.41Å; E179-L182 PolarHBondContact O-N 3.43Å; E179-S183 WeakPolarHBondContact O-CB 3.47Å; E179-S183 PolarHBondContact O-N 3.27Å; E179-S183 PolarHBondContact O-OG 3.16Å
180N92.6Very high88.5Confident75 Ų7570.8 Ų70.840%0.40136%0.355SS..Hα-helixtrans-62.2-43.3176.4-72.7-12.6000111.6Q176 L177 S183 K184Q176-N180 PolarHBondContact NE2-OD1 2.9Å; Q176-N180 VanDerWaalsContact O-CB 3.29Å; Q176-N180 WeakPolarHBondContact O-CB 3.39Å; Q176-N180 PolarHBondContact O-N 3.28Å; Q176-N180 PolarHBondContact O-ND2 3.12Å; Q176-N180 PolarHBondContact O-OD1 3.45Å; L177-N180 PolarHBondContact O-N 2.97Å; N180-S183 PolarHBondContact O-N 3.27Å; N180-K184 WeakPolarHBondContact O-CG 3.24Å; N180-K184 PolarHBondContact O-N 2.94Å
181A90.5Very high87.9Confident17 Ų1775.5 Ų75.514%0.1438%0.383CS..Hα-helixtrans-62-45.4177.200000111.5L177 L178 E179 S183 R185 L200L177-A181 WeakPolarHBondContact O-CB 3.43Å; L177-A181 PolarHBondContact O-N 2.71Å; L178-A181 PolarHBondContact O-N 3.19Å; E179-A181 PolarHBondContact O-N 3.41Å; A181-S183 VanDerWaalsContact C-N 3.33Å; A181-S183 PolarHBondContact O-N 3.27Å; A181-R185 VanDerWaalsContact O-CG 3.29Å; A181-R185 WeakPolarHBondContact O-CG 3.43Å; A181-R185 PolarHBondContact O-N 3.49Å; A181-L200 HydrophobicContact CB-CD1 3.77Å; A181-L200 HydrophobicContact CB-CD2 3.83Å; A181-L200 HydrophobicContact CB-CG 4.48Å
182L88.8Confident87.6Confident20 Ų2074.4 Ų74.411%0.10538%0.375CS..Hα-helixtrans-67-32.8176.8-74.1173.4000113.1L28 K163 Y164 L178 E179 K186 L192L28-L182 HydrophobicContact CD1-CD1 3.9Å; L28-L182 HydrophobicContact CD1-CD2 4.11Å; L28-L182 HydrophobicContact CD1-CG 4.1Å; K163-L182 HydrophobicContact CB-CD1 4.13Å; Y164-L182 HydrophobicContact CD1-CD1 3.32Å; Y164-L182 HydrophobicContact CE1-CD1 4.07Å; Y164-L182 HydrophobicContact CG-CD1 3.95Å; L178-L182 WeakPolarHBondContact O-CB 3.19Å; L178-L182 WeakPolarHBondContact O-CG 3.41Å; L178-L182 PolarHBondContact O-N 3.44Å; E179-L182 PolarHBondContact O-N 3.43Å; L182-K186 WeakPolarHBondContact O-CG 3.25Å; L182-K186 PolarHBondContact O-N 3Å; L182-K186 VanDerWaalsContact O-N 3.1Å; L182-L192 HydrophobicContact CD2-CD1 4.39Å
183S89.3Confident87.4Confident43 Ų4368.1 Ų68.130%0.30136%0.359SS..Hα-helixtrans-72-44.4-179.7-58.10000111.5E179 N180 A181 R185 K186 E187E179-S183 WeakPolarHBondContact O-CB 3.47Å; E179-S183 PolarHBondContact O-N 3.27Å; E179-S183 PolarHBondContact O-OG 3.16Å; N180-S183 PolarHBondContact O-N 3.27Å; A181-S183 VanDerWaalsContact C-N 3.33Å; A181-S183 PolarHBondContact O-N 3.27Å; S183-R185 VanDerWaalsContact C-N 3.3Å; S183-R185 PolarHBondContact O-N 3.21Å; S183-K186 WeakPolarHBondContact O-CB 3.37Å; S183-K186 PolarHBondContact O-N 2.91Å; S183-K186 VanDerWaalsContact O-N 3.17Å; S183-E187 PolarHBondContact O-N 3.02Å; S183-E187 VanDerWaalsContact O-N 3.07Å
184K88.7Confident87.3Confident131 Ų13168.6 Ų68.657%0.5736%0.356SS*.Hα-helixtrans-57.4-42.4173-71.7177.9179.1-175.60112.4N180 K186 E187 E188N180-K184 WeakPolarHBondContact O-CG 3.24Å; N180-K184 PolarHBondContact O-N 2.94Å; K184-K186 PolarHBondContact O-N 2.87Å; K184-E187 WeakPolarHBondContact O-CB 3.46Å; K184-E187 PolarHBondContact O-N 2.82Å; K184-E188 WeakPolarHBondContact O-CG 3.17Å; K184-E188 PolarHBondContact O-N 3.19Å
185R84.2Confident87.2Confident67 Ų6777 Ų7725%0.25339%0.392SS..Hα-helixtrans-66.2-36.8177.7-68.5-63.9-172.1-153.19.4113.1A181 S183 E187 E188 A189 S190 L192 E196A181-R185 VanDerWaalsContact O-CG 3.29Å; A181-R185 WeakPolarHBondContact O-CG 3.43Å; A181-R185 PolarHBondContact O-N 3.49Å; S183-R185 VanDerWaalsContact C-N 3.3Å; S183-R185 PolarHBondContact O-N 3.21Å; R185-E187 VanDerWaalsContact C-N 3.33Å; R185-E187 PolarHBondContact O-N 3.41Å; R185-E188 IonicContact CZ-OE2 3.21Å; R185-E188 IonicContact NH1-OE2 3.37Å; R185-E188 PolarHBondContact NH1-OE2 3.13Å; R185-E188 PolarHBondContact O-N 3.4Å; R185-A189 PolarHBondContact O-N 3.05Å; R185-A189 VanDerWaalsContact O-N 3.16Å; R185-S190 WeakPolarHBondContact CD-OG 3.4Å; R185-S190 PolarHBondContact O-N 2.9Å; R185-S190 VanDerWaalsContact O-O 3.13Å; R185-L192 HydrophobicContact CG-CD1 4.37Å; R185-E196 IonicContact CZ-OE1 3.68Å; R185-E196 IonicContact CZ-OE2 3.66Å; R185-E196 IonicContact NE-OE2 3.41Å; R185-E196 PolarHBondContact NE-OE2 3.06Å; R185-E196 IonicContact NH2-OE1 3.96Å; R185-E196 PolarHBondContact NH2-OE1 3.05Å; R185-E196 IonicContact NH2-OE2 2.96Å; R185-E196 PolarHBondContact NH2-OE2 3.04Å
186K83.7Confident87.2Confident138 Ų13877.2 Ų77.260%0.639%0.394SS*.Hα-helixtrans-62-40.4171.6-73.7172.4-177.11760112.1L182 S183 K184 A189L182-K186 WeakPolarHBondContact O-CG 3.25Å; L182-K186 PolarHBondContact O-N 3Å; L182-K186 VanDerWaalsContact O-N 3.1Å; S183-K186 WeakPolarHBondContact O-CB 3.37Å; S183-K186 PolarHBondContact O-N 2.91Å; S183-K186 VanDerWaalsContact O-N 3.17Å; K184-K186 PolarHBondContact O-N 2.87Å; K186-A189 PolarHBondContact O-N 2.97Å
187E81.9Confident87.2Confident165 Ų16572 Ų7277%0.77137%0.37SS*.Hα-helixtrans-66.5-39.6177.1-69.3172.9-175.600112.1S183 K184 R185 A189S183-E187 PolarHBondContact O-N 3.02Å; S183-E187 VanDerWaalsContact O-N 3.07Å; K184-E187 WeakPolarHBondContact O-CB 3.46Å; K184-E187 PolarHBondContact O-N 2.82Å; R185-E187 VanDerWaalsContact C-N 3.33Å; R185-E187 PolarHBondContact O-N 3.41Å; E187-A189 PolarHBondContact O-N 2.96Å
188E81.6Confident87.2Confident113 Ų11372.3 Ų72.353%0.52837%0.37SS..THydrogen-bonded Turntrans-74.7-2.9176.4-69.4171.5-175.800113.6K184 R185 S190K184-E188 WeakPolarHBondContact O-CG 3.17Å; K184-E188 PolarHBondContact O-N 3.19Å; R185-E188 IonicContact CZ-OE2 3.21Å; R185-E188 IonicContact NH1-OE2 3.37Å; R185-E188 PolarHBondContact NH1-OE2 3.13Å; R185-E188 PolarHBondContact O-N 3.4Å; E188-S190 WeakPolarHBondContact CB-OG 3.48Å; E188-S190 PolarHBondContact O-N 3.41Å; E188-S190 PolarHBondContact OE2-OG 3.43Å
189A71.4Confident87.2Confident93 Ų9376.5 Ų76.577%0.76939%0.39SS*.THydrogen-bonded Turntrans49.426.1-16900000113.1R185 K186 E187R185-A189 PolarHBondContact O-N 3.05Å; R185-A189 VanDerWaalsContact O-N 3.16Å; K186-A189 PolarHBondContact O-N 2.97Å; E187-A189 PolarHBondContact O-N 2.96Å
190S76.4Confident87.3Confident42 Ų4274.4 Ų74.429%0.29438%0.38SS..  trans-101.7142.6-177.864.50000109.9R185 E188R185-S190 WeakPolarHBondContact CD-OG 3.4Å; R185-S190 PolarHBondContact O-N 2.9Å; R185-S190 VanDerWaalsContact O-O 3.13Å; E188-S190 WeakPolarHBondContact CB-OG 3.48Å; E188-S190 PolarHBondContact O-N 3.41Å; E188-S190 PolarHBondContact OE2-OG 3.43Å
191T80.3Confident87.3Confident99 Ų9970.9 Ų70.961%0.60736%0.362SS*.  trans-95.1154.7-179.565.60000108.6D31 S193D31-T191 WeakPolarHBondContact OD1-CB 3.35Å; D31-T191 WeakPolarHBondContact OD2-CB 3.43Å; D31-T191 PolarHBondContact OD2-OG1 3.21Å; T191-S193 PolarHBondContact O-N 2.91Å
192L85Confident87.5Confident7 Ų774.5 Ų74.54%0.03737%0.372CS..  trans-87.9114.3-167.5-166.5121.2000109.1L28 F30 D31 L182 R185 A197 L200L28-L192 HydrophobicContact CD2-CD1 4.47Å; L28-L192 HydrophobicContact CD2-CD2 3.79Å; L28-L192 HydrophobicContact CG-CD2 4.32Å; F30-L192 HydrophobicContact CB-CB 4.39Å; F30-L192 HydrophobicContact CB-CD2 3.64Å; F30-L192 WeakPolarHBondContact CB-O 3.36Å; D31-L192 VanDerWaalsContact CG-O 3.28Å; D31-L192 PolarHBondContact N-O 3.42Å; D31-L192 PolarHBondContact OD1-N 3.37Å; D31-L192 PolarHBondContact OD2-N 3.37Å; L182-L192 HydrophobicContact CD2-CD1 4.39Å; R185-L192 HydrophobicContact CG-CD1 4.37Å; L192-A197 HydrophobicContact CD2-CB 3.4Å; L192-A197 VanDerWaalsContact CD2-CB 3.4Å; L192-L200 HydrophobicContact CD1-CD1 3.8Å
193S90.5Very high87.7Confident56 Ų5676.7 Ų76.739%0.39238%0.381SS..  trans-70.9150.1178.1-177.90000111.5T191 K195 E196 A197T191-S193 PolarHBondContact O-N 2.91Å; S193-K195 PolarHBondContact O-N 2.9Å; S193-E196 WeakPolarHBondContact O-CB 3.5Å; S193-E196 PolarHBondContact O-N 3.01Å; S193-A197 PolarHBondContact O-N 3.46Å
194R90.7Very high87.9Confident75 Ų7574.6 Ų74.628%0.28337%0.367SS..Hα-helixtrans-51.8-40.4174.6-179.7172.6168.8177-3.4113.3F30 A197 M198 D225 Y232F30-R194 HydrophobicContact CD2-CB 4.12Å; F30-R194 HydrophobicContact CE2-CB 3.65Å; F30-R194 HydrophobicContact CE2-CG 4.05Å; F30-R194 HydrophobicContact CZ-CB 4.07Å; F30-R194 HydrophobicContact CZ-CG 3.94Å; R194-A197 WeakPolarHBondContact O-CB 3.48Å; R194-A197 PolarHBondContact O-N 2.84Å; R194-M198 HydrophobicContact CG-CE 3.98Å; R194-M198 WeakPolarHBondContact O-CG 3.26Å; R194-M198 PolarHBondContact O-N 2.86Å; R194-D225 IonicContact CZ-OD2 3.97Å; R194-D225 IonicContact NE-OD2 3.14Å; R194-D225 IonicContact NH1-OD2 2.62Å; R194-D225 PolarHBondContact NH1-OD2 2.82Å; R194-Y232 PolarHBondContact NH2-OH 3.24Å
195K91.9Very high88.1Confident176 Ų17669 Ų6977%0.76534%0.343SS*.Hα-helixtrans-65.7-41.2179-71.6-174.5179.4179.50111.7S193 M198 Q199S193-K195 PolarHBondContact O-N 2.9Å; K195-M198 PolarHBondContact O-N 3.16Å; K195-Q199 PolarHBondContact O-N 2.86Å
196E92.4Very high88.6Confident71 Ų7166.4 Ų66.433%0.33233%0.334SS..Hα-helixtrans-69.5-39.3178-59.5-178.6162.900111.1R185 S193 M198 Q199 L200R185-E196 IonicContact CZ-OE1 3.68Å; R185-E196 IonicContact CZ-OE2 3.66Å; R185-E196 IonicContact NE-OE2 3.41Å; R185-E196 PolarHBondContact NE-OE2 3.06Å; R185-E196 IonicContact NH2-OE1 3.96Å; R185-E196 PolarHBondContact NH2-OE1 3.05Å; R185-E196 IonicContact NH2-OE2 2.96Å; R185-E196 PolarHBondContact NH2-OE2 3.04Å; S193-E196 WeakPolarHBondContact O-CB 3.5Å; S193-E196 PolarHBondContact O-N 3.01Å; E196-M198 PolarHBondContact O-N 3.14Å; E196-Q199 PolarHBondContact O-N 3.48Å; E196-L200 WeakPolarHBondContact O-CG 3.25Å; E196-L200 PolarHBondContact O-N 2.84Å
197A93Very high89Confident0 Ų062.4 Ų62.40%032%0.319CS..Hα-helixtrans-56.3-49.5172.300000111.3L28 F30 V35 L192 S193 R194 Q199 L200 M201L28-A197 HydrophobicContact CD2-CB 4.39Å; F30-A197 HydrophobicContact CB-CB 4.17Å; F30-A197 HydrophobicContact CD1-CB 4.34Å; F30-A197 HydrophobicContact CG-CB 4.4Å; V35-A197 HydrophobicContact CG2-CB 3.85Å; L192-A197 HydrophobicContact CD2-CB 3.4Å; L192-A197 VanDerWaalsContact CD2-CB 3.4Å; S193-A197 PolarHBondContact O-N 3.46Å; R194-A197 WeakPolarHBondContact O-CB 3.48Å; R194-A197 PolarHBondContact O-N 2.84Å; A197-Q199 VanDerWaalsContact C-N 3.31Å; A197-Q199 PolarHBondContact O-N 3.44Å; A197-L200 PolarHBondContact O-N 2.86Å; A197-M201 WeakPolarHBondContact O-CB 3.19Å; A197-M201 WeakPolarHBondContact O-CG 3.46Å; A197-M201 PolarHBondContact O-N 2.84Å
198M92.7Very high89.6Confident59 Ų5955.2 Ų55.229%0.29129%0.285SS..Hα-helixtrans-61.5-39.7178.2-73.6-180179.600112.4R194 K195 E196 M201 R202 V223 Y232R194-M198 HydrophobicContact CG-CE 3.98Å; R194-M198 WeakPolarHBondContact O-CG 3.26Å; R194-M198 PolarHBondContact O-N 2.86Å; K195-M198 PolarHBondContact O-N 3.16Å; E196-M198 PolarHBondContact O-N 3.14Å; M198-M201 PolarHBondContact O-N 3.21Å; M198-R202 PolarHBondContact O-N 3.33Å; M198-V223 HydrophobicContact CE-CG2 3.72Å; M198-Y232 HydrophobicContact CE-CE2 3.74Å
199Q93.2Very high90.2Very high88 Ų8853.3 Ų53.341%0.41127%0.274SS..Hα-helixtrans-66.4-45.6178-178.455.833.800111.7K195 E196 A197 M201 R202 E203K195-Q199 PolarHBondContact O-N 2.86Å; E196-Q199 PolarHBondContact O-N 3.48Å; A197-Q199 VanDerWaalsContact C-N 3.31Å; A197-Q199 PolarHBondContact O-N 3.44Å; Q199-M201 VanDerWaalsContact C-N 3.32Å; Q199-M201 PolarHBondContact O-N 3.37Å; Q199-R202 WeakPolarHBondContact O-CB 3.5Å; Q199-R202 PolarHBondContact O-N 3.05Å; Q199-E203 PolarHBondContact NE2-OE1 2.97Å; Q199-E203 WeakPolarHBondContact O-CG 3.41Å; Q199-E203 PolarHBondContact O-N 2.62Å
200L93.6Very high91.1Very high27 Ų2751.2 Ų51.214%0.14125%0.248CC..Hα-helixtrans-60.2-43.1174.2-73.8170.2000111.5L28 A181 L192 E196 A197 R202 E203 C204L28-L200 HydrophobicContact CD2-CB 4.44Å; L28-L200 HydrophobicContact CD2-CD1 4.13Å; A181-L200 HydrophobicContact CB-CD1 3.77Å; A181-L200 HydrophobicContact CB-CD2 3.83Å; A181-L200 HydrophobicContact CB-CG 4.48Å; L192-L200 HydrophobicContact CD1-CD1 3.8Å; E196-L200 WeakPolarHBondContact O-CG 3.25Å; E196-L200 PolarHBondContact O-N 2.84Å; A197-L200 PolarHBondContact O-N 2.86Å; L200-R202 VanDerWaalsContact C-N 3.3Å; L200-R202 PolarHBondContact O-N 3.26Å; L200-E203 PolarHBondContact O-N 3.11Å; L200-C204 PolarHBondContact O-N 3.43Å; L200-C204 PolarHBondContact O-SG 3.45Å
201M93.7Very high91.9Very high2 Ų257.3 Ų57.31%0.0126%0.264CS..Hα-helixtrans-61.5-39176.9-72.1-60.6-58.200112V26 L28 V35 A37 A197 M198 Q199 C204 I205V26-M201 HydrophobicContact CB-CE 3.78Å; V26-M201 HydrophobicContact CG1-CE 3.73Å; V26-M201 HydrophobicContact CG1-SD 3.88Å; V26-M201 WeakPolarHBondContact O-CE 3.47Å; L28-M201 HydrophobicContact CB-SD 3.99Å; V35-M201 HydrophobicContact CB-CG 4.26Å; V35-M201 HydrophobicContact CG1-CG 3.8Å; A37-M201 HydrophobicContact CB-CE 3.33Å; A197-M201 WeakPolarHBondContact O-CB 3.19Å; A197-M201 WeakPolarHBondContact O-CG 3.46Å; A197-M201 PolarHBondContact O-N 2.84Å; M198-M201 PolarHBondContact O-N 3.21Å; Q199-M201 VanDerWaalsContact C-N 3.32Å; Q199-M201 PolarHBondContact O-N 3.37Å; M201-C204 WeakPolarHBondContact O-CB 3.33Å; M201-C204 PolarHBondContact O-N 3.35Å; M201-I205 WeakPolarHBondContact O-CD1 3.43Å; M201-I205 VanDerWaalsContact O-CG1 3.25Å; M201-I205 WeakPolarHBondContact O-CG1 3.35Å; M201-I205 PolarHBondContact O-N 3.17Å; M201-I205 VanDerWaalsContact O-N 3.13Å
202R93.6Very high92.5Very high93 Ų9353 Ų5335%0.35124%0.238SC..Hα-helixtrans-62.8-46.1173.6179.9-177.7169.91788111.7M198 Q199 L200 C204 I205 E206M198-R202 PolarHBondContact O-N 3.33Å; Q199-R202 WeakPolarHBondContact O-CB 3.5Å; Q199-R202 PolarHBondContact O-N 3.05Å; L200-R202 VanDerWaalsContact C-N 3.3Å; L200-R202 PolarHBondContact O-N 3.26Å; R202-C204 VanDerWaalsContact C-N 3.29Å; R202-C204 PolarHBondContact O-N 3.42Å; R202-I205 PolarHBondContact O-N 3.15Å; R202-I205 VanDerWaalsContact O-N 3.15Å; R202-E206 IonicContact CZ-OE1 2.67Å; R202-E206 IonicContact NE-OE1 3.28Å; R202-E206 PolarHBondContact NE-OE1 3.31Å; R202-E206 IonicContact NH2-OE1 3.64Å; R202-E206 PolarHBondContact O-N 3.46Å
203E93.1Very high92.8Very high65 Ų6559.3 Ų59.330%0.30428%0.277SS..Hα-helixtrans-60.7-39177-71.4169.6-161.800112.1L177 Q199 L200 I205 E206 I207L177-E203 HydrophobicContact CD2-CB 4.36Å; Q199-E203 PolarHBondContact NE2-OE1 2.97Å; Q199-E203 WeakPolarHBondContact O-CG 3.41Å; Q199-E203 PolarHBondContact O-N 2.62Å; L200-E203 PolarHBondContact O-N 3.11Å; E203-I205 VanDerWaalsContact C-N 3.33Å; E203-I205 PolarHBondContact O-N 3.06Å; E203-E206 WeakPolarHBondContact O-CB 3.32Å; E203-E206 PolarHBondContact O-N 3.37Å; E203-I207 WeakPolarHBondContact O-CG1 3.44Å; E203-I207 PolarHBondContact O-N 2.97Å; E203-I207 VanDerWaalsContact O-N 3.08Å
204C94.1Very high92.8Very high0 Ų059.1 Ų59.10%027%0.271CS..Hα-helixtrans-59.2-44174.1-67.40000112V174 L178 L200 M201 R202 I207 L208V174-C204 HydrophobicContact CB-CB 4.5Å; V174-C204 HydrophobicContact CG1-CB 3.46Å; V174-C204 VanDerWaalsContact CG1-CB 3.46Å; V174-C204 WeakPolarHBondContact CG1-SG 3.1Å; V174-C204 HydrophobicContact CG2-CB 4.2Å; V174-C204 WeakPolarHBondContact CG2-O 3.19Å; L178-C204 VanDerWaalsContact CD2-SG 3.57Å; L200-C204 PolarHBondContact O-N 3.43Å; L200-C204 PolarHBondContact O-SG 3.45Å; M201-C204 WeakPolarHBondContact O-CB 3.33Å; M201-C204 PolarHBondContact O-N 3.35Å; R202-C204 VanDerWaalsContact C-N 3.29Å; R202-C204 PolarHBondContact O-N 3.42Å; C204-I207 PolarHBondContact O-N 2.71Å; C204-L208 WeakPolarHBondContact O-CG 3.46Å; C204-L208 PolarHBondContact O-N 3.49Å
205I93.7Very high92.8Very high12 Ų1256.4 Ų56.46%0.06227%0.265CS..Hα-helixtrans-73.5-35.3-178.8-62.6165.8000110.8A37 M201 R202 E203 I207 L208 Y209 Y219 V237A37-I205 HydrophobicContact CB-CD1 3.56Å; A37-I205 HydrophobicContact CB-CG1 4.46Å; M201-I205 WeakPolarHBondContact O-CD1 3.43Å; M201-I205 VanDerWaalsContact O-CG1 3.25Å; M201-I205 WeakPolarHBondContact O-CG1 3.35Å; M201-I205 PolarHBondContact O-N 3.17Å; M201-I205 VanDerWaalsContact O-N 3.13Å; R202-I205 PolarHBondContact O-N 3.15Å; R202-I205 VanDerWaalsContact O-N 3.15Å; E203-I205 VanDerWaalsContact C-N 3.33Å; E203-I205 PolarHBondContact O-N 3.06Å; I205-I207 PolarHBondContact O-N 2.9Å; I205-L208 PolarHBondContact O-N 3.08Å; I205-Y209 WeakPolarHBondContact O-CB 3.35Å; I205-Y209 PolarHBondContact O-N 3.49Å; I205-Y219 HydrophobicContact CD1-CD1 4.41Å; I205-Y219 HydrophobicContact CD1-CD2 3.16Å; I205-Y219 HydrophobicContact CD1-CE2 3.44Å; I205-Y219 VanDerWaalsContact CD1-CE2 3.44Å; I205-Y219 HydrophobicContact CD1-CG 3.67Å; I205-Y219 HydrophobicContact CG1-CD2 4.49Å; I205-Y219 HydrophobicContact CG2-CD1 3.96Å; I205-Y219 HydrophobicContact CG2-CE1 4.47Å; I205-Y219 HydrophobicContact CG2-CG 3.98Å; I205-V237 HydrophobicContact CB-CG2 4.35Å; I205-V237 HydrophobicContact CG2-CG2 3.72Å
206E93.2Very high92.9Very high13 Ų1348.9 Ų48.96%0.06123%0.232CC..Hα-helixtrans-54.7-50170.1-83.1172.2-158.300111.4R202 E203 L208 Y209 E210 V237 K240R202-E206 IonicContact CZ-OE1 2.67Å; R202-E206 IonicContact NE-OE1 3.28Å; R202-E206 PolarHBondContact NE-OE1 3.31Å; R202-E206 IonicContact NH2-OE1 3.64Å; R202-E206 PolarHBondContact O-N 3.46Å; E203-E206 WeakPolarHBondContact O-CB 3.32Å; E203-E206 PolarHBondContact O-N 3.37Å; E206-L208 PolarHBondContact O-N 3.07Å; E206-Y209 PolarHBondContact O-N 2.96Å; E206-E210 WeakPolarHBondContact O-CG 3.49Å; E206-E210 PolarHBondContact O-N 3.16Å; E206-V237 HydrophobicContact CB-CG1 4.18Å; E206-V237 HydrophobicContact CG-CB 4.46Å; E206-V237 HydrophobicContact CG-CG1 3.25Å; E206-V237 HydrophobicContact CG-CG2 4.42Å; E206-K240 IonicContact OE2-NZ 3.44Å; E206-K240 PolarHBondContact OE2-NZ 3.03Å
207I93.5Very high92.9Very high55 Ų5549.6 Ų49.628%0.28223%0.233SC..Hα-helixtrans-63.2-42.2177.9-66.3168000111.7L173 L177 E203 C204 I205 E210 R211L173-I207 HydrophobicContact CB-CG2 4.39Å; L177-I207 HydrophobicContact CD2-CD1 3.72Å; E203-I207 WeakPolarHBondContact O-CG1 3.44Å; E203-I207 PolarHBondContact O-N 2.97Å; E203-I207 VanDerWaalsContact O-N 3.08Å; C204-I207 PolarHBondContact O-N 2.71Å; I205-I207 PolarHBondContact O-N 2.9Å; I207-E210 PolarHBondContact O-N 3.27Å; I207-R211 WeakPolarHBondContact O-CB 3.47Å; I207-R211 WeakPolarHBondContact O-CG 3.21Å; I207-R211 PolarHBondContact O-N 3.4Å; I207-R211 VanDerWaalsContact O-N 3.15Å
208L93.8Very high92.9Very high13 Ų1351.6 Ų51.67%0.06824%0.242CC..Hα-helixtrans-62-46.1177.1-75.7172.6000111.4V26 L173 V174 C204 I205 E206 E210 R211 D212V26-L208 HydrophobicContact CG2-CD1 3.89Å; L173-L208 HydrophobicContact CD1-CD2 4.16Å; V174-L208 HydrophobicContact CG2-CD1 4.18Å; V174-L208 HydrophobicContact CG2-CD2 4.06Å; V174-L208 HydrophobicContact CG2-CG 3.74Å; C204-L208 WeakPolarHBondContact O-CG 3.46Å; C204-L208 PolarHBondContact O-N 3.49Å; I205-L208 PolarHBondContact O-N 3.08Å; E206-L208 PolarHBondContact O-N 3.07Å; L208-E210 VanDerWaalsContact C-N 3.29Å; L208-E210 PolarHBondContact O-N 2.9Å; L208-R211 PolarHBondContact O-N 3.01Å; L208-D212 WeakPolarHBondContact O-CA 3.46Å; L208-D212 WeakPolarHBondContact O-CB 3.44Å; L208-D212 PolarHBondContact O-N 2.87Å
209Y93.5Very high93Very high73 Ų7349.3 Ų49.329%0.28623%0.23SC..Hα-helixtrans-61.5-37.6179176.9-110.9000112.5I205 E206 V237I205-Y209 WeakPolarHBondContact O-CB 3.35Å; I205-Y209 PolarHBondContact O-N 3.49Å; E206-Y209 PolarHBondContact O-N 2.96Å; Y209-V237 HydrophobicContact CD1-CG1 4.47Å
210E92.2Very high93.1Very high50 Ų5045.8 Ų45.823%0.23421%0.214CC..Hα-helixtrans-75-26.3-179.9-71.7177.618000113.8E206 I207 L208 K240E206-E210 WeakPolarHBondContact O-CG 3.49Å; E206-E210 PolarHBondContact O-N 3.16Å; I207-E210 PolarHBondContact O-N 3.27Å; L208-E210 VanDerWaalsContact C-N 3.29Å; L208-E210 PolarHBondContact O-N 2.9Å; E210-K240 PolarHBondContact OE1-N 2.89Å
211R92.7Very high93.2Very high169 Ų16945 Ų4564%0.63821%0.21SC*.Hα-helixtrans-117.4-26.2-169.3-60.1-61.7173.3179.3-5.2114.7L173 I207 L208L173-R211 HydrophobicContact CD1-CB 3.83Å; L173-R211 HydrophobicContact CD2-CB 4.48Å; I207-R211 WeakPolarHBondContact O-CB 3.47Å; I207-R211 WeakPolarHBondContact O-CG 3.21Å; I207-R211 PolarHBondContact O-N 3.4Å; I207-R211 VanDerWaalsContact O-N 3.15Å; L208-R211 PolarHBondContact O-N 3.01Å
212D92.7Very high93.3Very high9 Ų944.9 Ų44.95%0.04821%0.209CC..  trans-93.7118.7178.2-173.4-5.1000110.5L169 L208 L214 A215L169-D212 HydrophobicContact CD1-CB 4.3Å; L169-D212 WeakPolarHBondContact CD1-OD1 3.39Å; L208-D212 WeakPolarHBondContact O-CA 3.46Å; L208-D212 WeakPolarHBondContact O-CB 3.44Å; L208-D212 PolarHBondContact O-N 2.87Å; D212-L214 PolarHBondContact O-N 2.89Å; D212-L214 PolarHBondContact OD1-N 2.93Å; D212-A215 HydrophobicContact CB-CB 3.84Å; D212-A215 PolarHBondContact O-N 3.43Å
213T91.2Very high93.3Very high139 Ų13940.4 Ų40.485%0.85319%0.192SC*.THydrogen-bonded Turntrans-69.2-14.6179.558.60000114.2
214L90.5Very high93.4Very high52 Ų5237.3 Ų37.327%0.27218%0.178SC..THydrogen-bonded Turntrans-101.5-3176.9-61.3178.9000112.6L41 D212L41-L214 WeakPolarHBondContact CD2-O 3.36Å; D212-L214 PolarHBondContact O-N 2.89Å; D212-L214 PolarHBondContact OD1-N 2.93Å
215A91.2Very high93.2Very high18 Ų1838 Ų3815%0.14918%0.181CC..  trans-76.5155.5177.500000111.9D39 D212D39-A215 WeakPolarHBondContact OD2-CA 3.12Å; D212-A215 HydrophobicContact CB-CB 3.84Å; D212-A215 PolarHBondContact O-N 3.43Å
216H92.7Very high93Very high18 Ų1842.3 Ų42.38%0.08320%0.2CC..  trans-120.1154.9177-16044.6000111.9D39 L41 E218D39-H216 HydrophobicContact CB-CB 4.27Å; D39-H216 PolarHBondContact OD2-N 2.68Å; L41-H216 HydrophobicContact CB-CB 3.6Å; L41-H216 HydrophobicContact CD2-CB 4.03Å; L41-H216 HydrophobicContact CG-CB 4.39Å; H216-E218 VanDerWaalsContact C-N 3.25Å; H216-E218 PolarHBondContact O-N 3.12Å
217Y92.4Very high92.7Very high87 Ų8750.7 Ų50.734%0.34124%0.239SC..SBendtrans-73.7-20179.868.2-92.6000112.4T236 V237Y217-T236 HydrophobicContact CD2-CG2 4.14Å; Y217-T236 HydrophobicContact CE2-CG2 4.19Å; Y217-T236 CarbonylContact O-C 3.56Å; Y217-T236 WeakPolarHBondContact O-CA 3.46Å; Y217-V237 PolarHBondContact O-N 2.93Å
218E94.2Very high92.5Very high41 Ų4148.7 Ų48.719%0.19223%0.232CC..EExtended strand (participates in β ladder)trans-93.4132174.5-54.9-173.6174.200110.7D39 T40 H216 L235 T236D39-E218 WeakPolarHBondContact CA-O 3.5Å; T40-E218 PolarHBondContact N-O 3.12Å; T40-E218 VanDerWaalsContact N-O 3.12Å; T40-E218 WeakPolarHBondContact OG1-CB 3.38Å; T40-E218 PolarHBondContact OG1-O 3.19Å; H216-E218 VanDerWaalsContact C-N 3.25Å; H216-E218 PolarHBondContact O-N 3.12Å; E218-L235 WeakPolarHBondContact CA-O 3.49Å; E218-T236 HydrophobicContact CG-CG2 4.33Å
219Y94.4Very high92.4Very high12 Ų1248.4 Ų48.45%0.04723%0.231CC..EExtended strand (participates in β ladder)trans-141.4156.6179.868.4-78.9000111.7A38 I205 V221 L235 V237A38-Y219 WeakPolarHBondContact O-CA 3.26Å; A38-Y219 WeakPolarHBondContact O-CB 3.16Å; I205-Y219 HydrophobicContact CD1-CD1 4.41Å; I205-Y219 HydrophobicContact CD1-CD2 3.16Å; I205-Y219 HydrophobicContact CD1-CE2 3.44Å; I205-Y219 VanDerWaalsContact CD1-CE2 3.44Å; I205-Y219 HydrophobicContact CD1-CG 3.67Å; I205-Y219 HydrophobicContact CG1-CD2 4.49Å; I205-Y219 HydrophobicContact CG2-CD1 3.96Å; I205-Y219 HydrophobicContact CG2-CE1 4.47Å; I205-Y219 HydrophobicContact CG2-CG 3.98Å; Y219-V221 HydrophobicContact CD2-CG2 3.62Å; Y219-V221 HydrophobicContact CE2-CG2 3.4Å; Y219-L235 HydrophobicContact CD1-CB 4.07Å; Y219-L235 WeakPolarHBondContact CD1-O 3.32Å; Y219-L235 HydrophobicContact CD2-CB 4.25Å; Y219-L235 HydrophobicContact CE1-CB 3.5Å; Y219-L235 HydrophobicContact CE2-CB 3.78Å; Y219-L235 HydrophobicContact CE2-CD1 3.79Å; Y219-L235 HydrophobicContact CE2-CG 4.41Å; Y219-L235 HydrophobicContact CG-CB 4.42Å; Y219-L235 PolarHBondContact N-O 2.85Å; Y219-L235 PolarHBondContact O-N 2.92Å; Y219-V237 HydrophobicContact CD1-CG2 3.64Å; Y219-V237 HydrophobicContact CE1-CB 4.42Å; Y219-V237 HydrophobicContact CE1-CG2 3.23Å
220E95Very high92.4Very high14 Ų1448 Ų487%0.06524%0.236CC..EExtended strand (participates in β ladder)trans-108.8145.2172-74.5176.3161.400109.8A37 A38 T40 S54 L56 H234A37-E220 VanDerWaalsContact CA-O 3.25Å; A37-E220 WeakPolarHBondContact CA-O 3.43Å; A38-E220 PolarHBondContact N-O 2.86Å; A38-E220 VanDerWaalsContact N-O 3.11Å; A38-E220 PolarHBondContact O-N 2.9Å; T40-E220 HydrophobicContact CG2-CG 3.69Å; S54-E220 WeakPolarHBondContact CA-OE2 3.4Å; S54-E220 WeakPolarHBondContact CB-OE1 3.38Å; S54-E220 VanDerWaalsContact CB-OE2 3.22Å; S54-E220 WeakPolarHBondContact CB-OE2 3.37Å; S54-E220 PolarHBondContact OG-OE1 2.92Å; S54-E220 PolarHBondContact OG-OE2 3.42Å; L56-E220 HydrophobicContact CD1-CB 3.94Å; E220-H234 IonicContact OE1-CD2 2.96Å; E220-H234 PolarHBondContact OE1-CD2 3.19Å; E220-H234 IonicContact OE1-NE2 3.33Å; E220-H234 PolarHBondContact OE1-NE2 2.83Å
221V95.5Very high92.4Very high9 Ų948.9 Ų48.96%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-120.9128.6172.9-178.40000108.2V35 I36 A37 Y219 V223 Y232 L235V35-V221 HydrophobicContact CG1-CG1 3.58Å; I36-V221 CarbonylContact O-C 3.45Å; I36-V221 WeakPolarHBondContact O-CA 3.3Å; A37-V221 HydrophobicContact CB-CG2 4.13Å; Y219-V221 HydrophobicContact CD2-CG2 3.62Å; Y219-V221 HydrophobicContact CE2-CG2 3.4Å; V221-V223 HydrophobicContact CG1-CG2 4.28Å; V221-Y232 HydrophobicContact CB-CD2 4.42Å; V221-Y232 HydrophobicContact CG1-CD2 4.46Å; V221-Y232 WeakPolarHBondContact O-CB 3.41Å; V221-Y232 WeakPolarHBondContact O-CD2 3.17Å; V221-Y232 PolarHBondContact O-N 3.07Å; V221-L235 HydrophobicContact CG2-CD1 3.92Å
222G95Very high92.4Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-111.9139.4169.700000110.9V35 I36 T230V35-G222 CarbonylContact C-O 3.55Å; V35-G222 WeakPolarHBondContact CA-O 3Å; I36-G222 PolarHBondContact N-O 2.77Å; I36-G222 PolarHBondContact O-N 3.24Å; G222-T230 CarbonylContact C-O 3.6Å; G222-T230 WeakPolarHBondContact CA-O 3.42Å
223V95.3Very high92.3Very high0 Ų049 Ų490%026%0.255CS..EExtended strand (participates in β ladder)trans-125.3131.1177.6-179.60000108.4F30 V35 M198 V221 D225 C229 T230 Y232F30-V223 HydrophobicContact CE1-CG1 4.07Å; F30-V223 HydrophobicContact CZ-CG1 3.88Å; V35-V223 HydrophobicContact CG1-CG2 4.21Å; V35-V223 HydrophobicContact CG2-CG2 4.11Å; M198-V223 HydrophobicContact CE-CG2 3.72Å; V221-V223 HydrophobicContact CG1-CG2 4.28Å; V223-D225 VanDerWaalsContact CG1-OD1 3.26Å; V223-D225 WeakPolarHBondContact CG1-OD1 3.33Å; V223-C229 WeakPolarHBondContact O-CA 3.43Å; V223-T230 PolarHBondContact N-O 3.29Å; V223-T230 PolarHBondContact O-N 3.41Å; V223-Y232 HydrophobicContact CB-CE2 4.33Å; V223-Y232 HydrophobicContact CG2-CD2 4.31Å; V223-Y232 HydrophobicContact CG2-CE2 3.73Å
224V94.2Very high92.2Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-117.9109.9174.9-171.30000109.3G33 V34 L64 V141 C229G33-V224 CarbonylContact C-O 3.57Å; G33-V224 WeakPolarHBondContact CA-O 3.28Å; V34-V224 PolarHBondContact N-O 3.43Å; V34-V224 PolarHBondContact O-N 3.37Å; L64-V224 HydrophobicContact CB-CG2 3.4Å; L64-V224 VanDerWaalsContact CB-CG2 3.4Å; L64-V224 HydrophobicContact CD2-CG2 3.86Å; L64-V224 HydrophobicContact CG-CG2 4.28Å; V141-V224 HydrophobicContact CG2-CG1 4.04Å; V224-C229 VanDerWaalsContact CG1-SG 3.53Å; V224-C229 HydrophobicContact CG2-CB 4.12Å
225D91.1Very high92.3Very high14 Ų1447.2 Ų47.28%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-117.7179.8179-65-10.2000110.4F30 R194 V223 E227 G228F30-D225 WeakPolarHBondContact CZ-OD1 3.37Å; R194-D225 IonicContact CZ-OD2 3.97Å; R194-D225 IonicContact NE-OD2 3.14Å; R194-D225 IonicContact NH1-OD2 2.62Å; R194-D225 PolarHBondContact NH1-OD2 2.82Å; V223-D225 VanDerWaalsContact CG1-OD1 3.26Å; V223-D225 WeakPolarHBondContact CG1-OD1 3.33Å; D225-E227 PolarHBondContact O-N 3.06Å; D225-G228 PolarHBondContact N-O 3.4Å; D225-G228 VanDerWaalsContact N-O 3.14Å; D225-G228 PolarHBondContact O-N 3.32Å
226K88.4Confident92.4Very high102 Ų10250.6 Ų50.644%0.44326%0.256SS..THydrogen-bonded Turntrans-54.4-35.8173.1-57.1-179.3176.9141.90112.8D32 N146D32-K226 IonicContact OD1-NZ 2.72Å; D32-K226 PolarHBondContact OD1-NZ 3.45Å; N146-K226 HydrophobicContact CB-CB 4.5Å; N146-K226 HydrophobicContact CB-CD 4.29Å; N146-K226 HydrophobicContact CB-CG 3.78Å
227E87.8Confident92.3Very high190 Ų19050.2 Ų50.289%0.88826%0.255SS*.THydrogen-bonded Turntrans-70.7-32.1178.2-61.7-178.9175.600112.5D225D225-E227 PolarHBondContact O-N 3.06Å
228G89Confident91.8Very high13 Ų1349.9 Ų49.913%0.13427%0.266CS..EExtended strand (participates in β ladder)trans143.6-172.4174.800000114K61 D225K61-G228 CarbonylContact O-C 3.6Å; K61-G228 WeakPolarHBondContact O-CA 3.37Å; D225-G228 PolarHBondContact N-O 3.4Å; D225-G228 VanDerWaalsContact N-O 3.14Å; D225-G228 PolarHBondContact O-N 3.32Å
229C91.4Very high91.1Very high6 Ų648.8 Ų48.84%0.04127%0.265CS..EExtended strand (participates in β ladder)trans-87.6128.3177.3-47.10000111.9K58 N60 K61 K62 T63 V223 V224K58-C229 HydrophobicContact CD-CB 3.89Å; K58-C229 HydrophobicContact CG-CB 4.02Å; K58-C229 PolarHBondContact NZ-O 3.15Å; N60-C229 PolarHBondContact O-SG 3.5Å; K61-C229 PolarHBondContact O-N 3.28Å; K61-C229 PolarHBondContact O-SG 3.49Å; K62-C229 VanDerWaalsContact C-SG 3.51Å; T63-C229 PolarHBondContact N-SG 3.3Å; V223-C229 WeakPolarHBondContact O-CA 3.43Å; V224-C229 VanDerWaalsContact CG1-SG 3.53Å; V224-C229 HydrophobicContact CG2-CB 4.12Å
230T93.1Very high90.6Very high66 Ų6654 Ų5441%0.40529%0.288SS..EExtended strand (participates in β ladder)trans-122134.8170.951.80000109.7G222 V223G222-T230 CarbonylContact C-O 3.6Å; G222-T230 WeakPolarHBondContact CA-O 3.42Å; V223-T230 PolarHBondContact N-O 3.29Å; V223-T230 PolarHBondContact O-N 3.41Å
231I93.4Very high90.2Very high67 Ų6760 Ų6034%0.34431%0.31SS..EExtended strand (participates in β ladder)trans-111121.7171.2-59.8173.1000105.8L56 K58 L64L56-I231 HydrophobicContact CB-CD1 4.49Å; K58-I231 HydrophobicContact CB-CD1 4.3Å; L64-I231 HydrophobicContact CD1-CD1 3.77Å; L64-I231 HydrophobicContact CD1-CG1 3.88Å
232Y92.6Very high89.8Confident80 Ų8066.2 Ų66.231%0.31434%0.343SS..PPolyproline II helixtrans-75.5150.7177.8-73.3-84000110.5R194 M198 V221 V223R194-Y232 PolarHBondContact NH2-OH 3.24Å; M198-Y232 HydrophobicContact CE-CE2 3.74Å; V221-Y232 HydrophobicContact CB-CD2 4.42Å; V221-Y232 HydrophobicContact CG1-CD2 4.46Å; V221-Y232 WeakPolarHBondContact O-CB 3.41Å; V221-Y232 WeakPolarHBondContact O-CD2 3.17Å; V221-Y232 PolarHBondContact O-N 3.07Å; V223-Y232 HydrophobicContact CB-CE2 4.33Å; V223-Y232 HydrophobicContact CG2-CD2 4.31Å; V223-Y232 HydrophobicContact CG2-CE2 3.73Å
233P89.3Confident89.4Confident100 Ų10071.1 Ų71.165%0.64936%0.362SS*.PPolyproline II helixtrans-60.5166.3172.328.7-35.9000110.9L235P233-L235 PolarHBondContact O-N 3.45Å; P233-L235 VanDerWaalsContact O-N 3.12Å
234H90.3Very high89Confident86 Ų8673.8 Ų73.840%0.39839%0.385SS..PPolyproline II helixtrans-53.3121.4-179.8-57.4169.3000110.8E220E220-H234 IonicContact OE1-CD2 2.96Å; E220-H234 PolarHBondContact OE1-CD2 3.19Å; E220-H234 IonicContact OE1-NE2 3.33Å; E220-H234 PolarHBondContact OE1-NE2 2.83Å
235L92.7Very high88.7Confident68 Ų6879 Ų7936%0.35642%0.421SS..EExtended strand (participates in β ladder)trans-98.4152.4171.7-64.6175.5000108.6E218 Y219 V221 P233E218-L235 WeakPolarHBondContact CA-O 3.49Å; Y219-L235 HydrophobicContact CD1-CB 4.07Å; Y219-L235 WeakPolarHBondContact CD1-O 3.32Å; Y219-L235 HydrophobicContact CD2-CB 4.25Å; Y219-L235 HydrophobicContact CE1-CB 3.5Å; Y219-L235 HydrophobicContact CE2-CB 3.78Å; Y219-L235 HydrophobicContact CE2-CD1 3.79Å; Y219-L235 HydrophobicContact CE2-CG 4.41Å; Y219-L235 HydrophobicContact CG-CB 4.42Å; Y219-L235 PolarHBondContact N-O 2.85Å; Y219-L235 PolarHBondContact O-N 2.92Å; V221-L235 HydrophobicContact CG2-CD1 3.92Å; P233-L235 PolarHBondContact O-N 3.45Å; P233-L235 VanDerWaalsContact O-N 3.12Å
236T93.2Very high88.7Confident89 Ų8982.6 Ų82.655%0.54645%0.448SS..EExtended strand (participates in β ladder)trans-112.8145.917855.60000110.5Y217 E218Y217-T236 HydrophobicContact CD2-CG2 4.14Å; Y217-T236 HydrophobicContact CE2-CG2 4.19Å; Y217-T236 CarbonylContact O-C 3.56Å; Y217-T236 WeakPolarHBondContact O-CA 3.46Å; E218-T236 HydrophobicContact CG-CG2 4.33Å
237V89.7Confident88.6Confident10 Ų1083.9 Ų83.96%0.06146%0.458CS..  trans-107.1133.6171.1173.20000110.1I205 E206 Y209 Y217 Y219I205-V237 HydrophobicContact CB-CG2 4.35Å; I205-V237 HydrophobicContact CG2-CG2 3.72Å; E206-V237 HydrophobicContact CB-CG1 4.18Å; E206-V237 HydrophobicContact CG-CB 4.46Å; E206-V237 HydrophobicContact CG-CG1 3.25Å; E206-V237 HydrophobicContact CG-CG2 4.42Å; Y209-V237 HydrophobicContact CD1-CG1 4.47Å; Y217-V237 PolarHBondContact O-N 2.93Å; Y219-V237 HydrophobicContact CD1-CG2 3.64Å; Y219-V237 HydrophobicContact CE1-CB 4.42Å; Y219-V237 HydrophobicContact CE1-CG2 3.23Å
238S82Confident88.1Confident81 Ų8187.2 Ų87.257%0.56647%0.474SS*.  trans-95.7114.6163.657.10000109.2
239G79.7Confident88Confident18 Ų1891 Ų9119%0.18649%0.49CS..  trans-66.4153.7171.400000111.7W241G239-W241 VanDerWaalsContact O-CD1 3.31Å
240K85.1Confident87.8Confident122 Ų12295.4 Ų95.453%0.5351%0.514SS..  trans-92.5114.6177.8-66169.2-172.2156.90108.7E206 E210 Y243E206-K240 IonicContact OE2-NZ 3.44Å; E206-K240 PolarHBondContact OE2-NZ 3.03Å; E210-K240 PolarHBondContact OE1-N 2.89Å; K240-Y243 WeakPolarHBondContact O-CE1 2.97Å; K240-Y243 VanDerWaalsContact O-CZ 3.26Å; K240-Y243 PolarHBondContact O-OH 3.01Å
241W86.2Confident87.5Confident138 Ų13897.1 Ų97.152%0.52352%0.52SS..  trans-124.910.1-173.9-61.9102.6000114.3G239 Y243 A244G239-W241 VanDerWaalsContact O-CD1 3.31Å; W241-Y243 HydrophobicContact CE3-CE2 4.45Å; W241-Y243 PolarHBondContact O-N 2.94Å; W241-Y243 VanDerWaalsContact O-N 3.11Å; W241-A244 VanDerWaalsContact O-CB 3.25Å; W241-A244 WeakPolarHBondContact O-CB 3.25Å; W241-A244 PolarHBondContact O-N 3.11Å
242D87.4Confident87.2Confident141 Ų14198.8 Ų98.875%0.75453%0.531SS*.G310 helixtrans-57-34-174.1-58.7-26.2000112.7A244 S245D242-A244 VanDerWaalsContact C-N 3.25Å; D242-A244 PolarHBondContact O-N 3.18Å; D242-S245 PolarHBondContact O-N 3.33Å; D242-S245 PolarHBondContact O-OG 2.95Å
243Y85.5Confident86.9Confident102 Ų102100 Ų10040%0.454%0.544SS..G310 helixtrans-69.3-16.1178.553.1-95.4000114K240 W241 S245 S246K240-Y243 WeakPolarHBondContact O-CE1 2.97Å; K240-Y243 VanDerWaalsContact O-CZ 3.26Å; K240-Y243 PolarHBondContact O-OH 3.01Å; W241-Y243 HydrophobicContact CE3-CE2 4.45Å; W241-Y243 PolarHBondContact O-N 2.94Å; W241-Y243 VanDerWaalsContact O-N 3.11Å; Y243-S245 PolarHBondContact O-N 3.31Å; Y243-S246 WeakPolarHBondContact O-CB 3.46Å; Y243-S246 PolarHBondContact O-N 2.65Å; Y243-S246 PolarHBondContact O-OG 2.77Å
244A87.3Confident86.7Confident56 Ų56100 Ų10046%0.46354%0.537SS..G310 helixtrans-60.3-28.9177.600000112.1W241 D242 S246W241-A244 VanDerWaalsContact O-CB 3.25Å; W241-A244 WeakPolarHBondContact O-CB 3.25Å; W241-A244 PolarHBondContact O-N 3.11Å; D242-A244 VanDerWaalsContact C-N 3.25Å; D242-A244 PolarHBondContact O-N 3.18Å; A244-S246 PolarHBondContact O-N 3.47Å
245S88.3Confident86.4Confident111 Ų111101 Ų10178%0.77655%0.547SS*.G310 helixtrans-66.9-20.4174.864.30000114.2D242 Y243D242-S245 PolarHBondContact O-N 3.33Å; D242-S245 PolarHBondContact O-OG 2.95Å; Y243-S245 PolarHBondContact O-N 3.31Å
246S90.1Very high86Confident89 Ų89103.5 Ų103.562%0.62256%0.562SS**G310 helixtrans-90.2-7.8-175.770.90000114.4Y243 A244Y243-S246 WeakPolarHBondContact O-CB 3.46Å; Y243-S246 PolarHBondContact O-N 2.65Å; Y243-S246 PolarHBondContact O-OG 2.77Å; A244-S246 PolarHBondContact O-N 3.47Å
247I87Confident85.4Confident128 Ų128104.8 Ų104.866%0.65656%0.563SS**  trans-94.1105.4-176.3-55.7171.1000107.9
248Q76Confident85Confident261 Ų261113.4 Ų113.4100%1.2261%0.609SS**  trans-98.30171-72.3-172.5-26.800111.4

Retrieved 248 of 248 residues in 95.1 ms (Link to these results)

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