A0A087XJM7_POEFO Loading...

Translation initiation factor eIF2B subunit gamma

Acts as a component of the translation initiation factor 2B (eIF2B) complex, which catalyzes the exchange of GDP for GTP on the eukaryotic initiation factor 2 (eIF2) complex gamma subunit. Its guanine nucleotide exchange factor activity is repressed when bound to eIF2 complex phosphorylated on the alpha subunit, thereby limiting the amount of methionyl-initiator methionine tRNA available to the ribosome and consequently global translation is repressed.

AlphaFold DB , UniProt , Accession A0A087XJM7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 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
1M61.8Low82.7Confident141 Ų14134 Ų3470%0.69520%0.197SC*.  0134.70-67.4-165.7-134.700107.9E50 T103M1-E50 HydrophobicContact CE-CB 4.23Å; M1-E50 VanDerWaalsContact CE-OE2 3.3Å; M1-E50 WeakPolarHBondContact CE-OE2 3.37Å; M1-T103 WeakPolarHBondContact O-CG2 3.28Å
2E80.6Confident81.2Confident106 Ų10636.8 Ų36.850%0.49524%0.238SC..  trans-83.2-44.2177.2-174-172.3163.500110.9R126E2-R126 IonicContact OE1-CZ 3.68Å; E2-R126 IonicContact OE1-NE 2.71Å; E2-R126 PolarHBondContact OE1-NE 3.34Å; E2-R126 IonicContact OE1-NH2 3.47Å; E2-R126 IonicContact OE2-CZ 3.96Å; E2-R126 IonicContact OE2-NE 3.76Å; E2-R126 PolarHBondContact OE2-NE 3.03Å; E2-R126 IonicContact OE2-NH2 3.3Å; E2-R126 PolarHBondContact OE2-NH2 2.89Å
3L88.8Confident80.4Confident11 Ų1134.8 Ų34.86%0.05823%0.23CC..EExtended strand (participates in β ladder)trans-125.1140.5-178.9-69.2162.4000110.2F48 D104 V122 F125L3-F48 HydrophobicContact CB-CE1 4.09Å; L3-F48 HydrophobicContact CB-CZ 4.42Å; L3-D104 CarbonylContact C-O 3.6Å; L3-D104 WeakPolarHBondContact CA-O 3.4Å; L3-D104 HydrophobicContact CD2-CB 3.64Å; L3-V122 HydrophobicContact CD1-CG1 3.72Å; L3-V122 HydrophobicContact CD1-CG2 4.29Å; L3-F125 HydrophobicContact CD2-CE1 4.27Å
4Q91.9Very high79.7Confident23 Ų2340 Ų4011%0.10727%0.267CS..EExtended strand (participates in β ladder)trans-105.9124.7170.6-82176.7-39.800109.6T103 D104 I105 L106Q4-T103 WeakPolarHBondContact CG-OG1 3.29Å; Q4-D104 PolarHBondContact N-O 3.38Å; Q4-I105 CarbonylContact O-C 3.54Å; Q4-I105 VanDerWaalsContact O-CA 3.31Å; Q4-I105 WeakPolarHBondContact O-CA 3.41Å; Q4-L106 PolarHBondContact O-N 3Å
5A92.8Very high79.2Confident1 Ų148 Ų481%0.00829%0.289CS..EExtended strand (participates in β ladder)trans-83.8131.2178.100000111.1L43 F48 V51 I52 L106A5-L43 HydrophobicContact CB-CD1 3.88Å; A5-L43 HydrophobicContact CB-CD2 3.79Å; A5-L43 HydrophobicContact CB-CG 4.45Å; A5-F48 HydrophobicContact CB-CD1 3.99Å; A5-F48 HydrophobicContact CB-CE1 4.16Å; A5-F48 HydrophobicContact CB-CG 4.32Å; A5-V51 HydrophobicContact CB-CG1 4.38Å; A5-V51 HydrophobicContact CB-CG2 4.24Å; A5-I52 PolarHBondContact O-N 2.94Å; A5-L106 CarbonylContact C-O 3.6Å; A5-L106 WeakPolarHBondContact CA-O 3.29Å
6V92.8Very high79Confident0 Ų045.4 Ų45.40%027%0.273CS..EExtended strand (participates in β ladder)trans-121117.9177.3-178.20000108.5M8 I52 I54 L94 I97 L106 V107 V108V6-M8 HydrophobicContact CG1-CE 3.75Å; V6-M8 HydrophobicContact CG1-SD 4.4Å; V6-I52 CarbonylContact C-O 3.59Å; V6-I52 WeakPolarHBondContact CA-O 3.38Å; V6-I54 HydrophobicContact CG1-CD1 3.79Å; V6-I54 HydrophobicContact CG1-CG1 4.01Å; V6-L94 HydrophobicContact CG1-CD2 4.29Å; V6-I97 HydrophobicContact CB-CD1 4.36Å; V6-I97 HydrophobicContact CG1-CD1 3.62Å; V6-I97 HydrophobicContact CG2-CD1 3.75Å; V6-L106 PolarHBondContact N-O 3.37Å; V6-V107 WeakPolarHBondContact O-CA 3.5Å; V6-V108 PolarHBondContact O-N 3.09Å
7L91.9Very high78.7Confident0 Ų047.5 Ų47.50%029%0.286CS..EExtended strand (participates in β ladder)trans-96.9121.8175.7-175.165.7000110.6M36 P39 L40 V51 I52 V53 I54 V108L7-M36 HydrophobicContact CD2-SD 3.97Å; L7-P39 HydrophobicContact CD1-CB 3.81Å; L7-P39 HydrophobicContact CD1-CG 3.71Å; L7-L40 HydrophobicContact CD2-CD1 4.17Å; L7-L40 HydrophobicContact CD2-CD2 3.75Å; L7-L40 HydrophobicContact CD2-CG 3.8Å; L7-V51 HydrophobicContact CB-CG1 4.15Å; L7-I52 PolarHBondContact N-O 3.49Å; L7-V53 HydrophobicContact CB-CB 4.49Å; L7-V53 HydrophobicContact CB-CG1 4.25Å; L7-V53 HydrophobicContact CB-CG2 4.19Å; L7-V53 HydrophobicContact CD2-CG1 4.05Å; L7-V53 HydrophobicContact CD2-CG2 4.23Å; L7-V53 HydrophobicContact CG-CG1 4.34Å; L7-I54 PolarHBondContact O-N 3.12Å; L7-V108 WeakPolarHBondContact CA-O 3.36Å; L7-V108 HydrophobicContact CD1-CB 4.19Å; L7-V108 HydrophobicContact CD1-CG1 4.39Å
8M89.3Confident78.6Confident12 Ų1248.3 Ų48.36%0.05929%0.289CS..EExtended strand (participates in β ladder)trans-91.5107.9179.4-63.2-65.2178.400111.1V6 I54 A93 L94 V107 V108 C110V6-M8 HydrophobicContact CG1-CE 3.75Å; V6-M8 HydrophobicContact CG1-SD 4.4Å; M8-I54 HydrophobicContact CE-CD1 3.85Å; M8-I54 HydrophobicContact SD-CB 4.43Å; M8-I54 HydrophobicContact SD-CD1 3.69Å; M8-I54 HydrophobicContact SD-CG1 4.34Å; M8-A93 HydrophobicContact SD-CB 4.1Å; M8-L94 HydrophobicContact CE-CD1 4.28Å; M8-L94 HydrophobicContact CE-CD2 3.2Å; M8-L94 HydrophobicContact CE-CG 3.41Å; M8-L94 VanDerWaalsContact CE-CG 3.41Å; M8-V107 HydrophobicContact CE-CG1 3.75Å; M8-V107 HydrophobicContact CG-CG1 3.71Å; M8-V108 PolarHBondContact N-O 2.87Å; M8-C110 VanDerWaalsContact O-CB 3.29Å; M8-C110 WeakPolarHBondContact O-CB 3.16Å; M8-C110 PolarHBondContact O-N 3.48Å; M8-C110 PolarHBondContact O-SG 2.88Å
9A83Confident78.6Confident1 Ų146 Ų461%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-12419.7179.200000113.4G11 P26 M36 V53 I54 T55 C110A9-G11 VanDerWaalsContact C-N 3.33Å; A9-G11 PolarHBondContact O-N 2.86Å; A9-P26 HydrophobicContact CB-CB 4.11Å; A9-P26 HydrophobicContact CB-CG 3.84Å; A9-P26 WeakPolarHBondContact O-CG 3.29Å; A9-M36 HydrophobicContact CB-SD 3.47Å; A9-M36 WeakPolarHBondContact CB-SD 3.41Å; A9-V53 HydrophobicContact CB-CG1 4.36Å; A9-I54 CarbonylContact C-O 3.57Å; A9-I54 VanDerWaalsContact CA-O 3.27Å; A9-I54 WeakPolarHBondContact CA-O 3.34Å; A9-I54 WeakPolarHBondContact CB-O 3.49Å; A9-I54 PolarHBondContact N-O 3.23Å; A9-T55 HydrophobicContact CB-CG2 4.16Å; A9-C110 HydrophobicContact CB-CB 4.05Å
10A69.9Low78.4Confident37 Ų3744.7 Ų44.731%0.30627%0.267SS..  trans-84.11.5179.700000114.6G12 I54A10-G12 PolarHBondContact O-N 2.9Å; A10-I54 PolarHBondContact N-O 3.11Å
11G67.5Low78.2Confident42 Ų4250.6 Ų50.643%0.43329%0.286SS..  trans-81.6117-174.200000113.5A9 G13A9-G11 VanDerWaalsContact C-N 3.33Å; A9-G11 PolarHBondContact O-N 2.86Å; G11-G13 PolarHBondContact O-N 2.9Å
12G64.7Low78.8Confident67 Ų6748.1 Ų48.169%0.69128%0.275SS*.  trans-68.3-10.1177.500000115.8A10A10-G12 PolarHBondContact O-N 2.9Å
13G70.6Confident78.6Confident12 Ų1244.1 Ų44.112%0.12426%0.258CS..  trans74.243.8173.200000114.7G11 R15 M16G11-G13 PolarHBondContact O-N 2.9Å; G13-R15 PolarHBondContact O-N 3.17Å; G13-M16 CarbonylContact O-C 3.58Å; G13-M16 WeakPolarHBondContact O-CG 3.47Å; G13-M16 PolarHBondContact O-N 3.2Å
14S70.8Confident78.4Confident107 Ų10744.5 Ų44.575%0.74826%0.261SS*.THydrogen-bonded Turntrans-53.3-19.1-177.956.70000116.2
15R72.3Confident78Confident160 Ų16043.9 Ų43.960%0.60426%0.258SS*.THydrogen-bonded Turntrans-92-2.9178.5-63.7-178.6-177.2-172.2-1.2114.2G13 N321G13-R15 PolarHBondContact O-N 3.17Å; R15-N321 VanDerWaalsContact CB-O 3.31Å; R15-N321 WeakPolarHBondContact CB-O 3.35Å
16M75.8Confident77.7Confident6 Ų643.9 Ų43.93%0.0326%0.258CS..  trans-14236.9-177.156168.956.700111.6G13 D18 L19 T20 K25 L28 V320G13-M16 CarbonylContact O-C 3.58Å; G13-M16 WeakPolarHBondContact O-CG 3.47Å; G13-M16 PolarHBondContact O-N 3.2Å; M16-D18 PolarHBondContact O-N 2.93Å; M16-L19 PolarHBondContact O-N 2.96Å; M16-T20 HydrophobicContact CG-CG2 3.72Å; M16-T20 PolarHBondContact O-N 3.03Å; M16-T20 VanDerWaalsContact O-N 3.12Å; M16-T20 PolarHBondContact O-OG1 2.88Å; M16-T20 HydrophobicContact SD-CG2 3.81Å; M16-K25 HydrophobicContact SD-CD 4.05Å; M16-K25 HydrophobicContact SD-CG 3.84Å; M16-L28 HydrophobicContact SD-CD1 3.61Å; M16-V320 HydrophobicContact CE-CG1 4.21Å; M16-V320 WeakPolarHBondContact CE-O 3.23Å
17T74.3Confident77.3Confident82 Ų8244.7 Ų44.750%0.50326%0.262SS..Hα-helixtrans-48.9-35.6-178.345.90000113.1L19 T20 Y21T17-L19 PolarHBondContact O-N 3.18Å; T17-T20 WeakPolarHBondContact CA-OG1 3.28Å; T17-T20 PolarHBondContact O-N 2.69Å; T17-Y21 PolarHBondContact O-N 2.8Å
18D76.7Confident77.1Confident62 Ų6244.7 Ų44.733%0.33226%0.262SS..Hα-helixtrans-61.6-30.2179.5-51.8-27.4000113.2M16 L427M16-D18 PolarHBondContact O-N 2.93Å; D18-L427 HydrophobicContact CB-CD2 3.39Å; D18-L427 HydrophobicContact CB-CG 4.48Å
19L77.3Confident77Confident4 Ų444.5 Ų44.52%0.02126%0.262CS..Hα-helixtrans-93.1-33.4176.8-63.1-178.8000112.3M16 T17 T23 L28 L323 Y326 M395 V410 C412 L427M16-L19 PolarHBondContact O-N 2.96Å; T17-L19 PolarHBondContact O-N 3.18Å; L19-T23 PolarHBondContact O-OG1 3.25Å; L19-L28 HydrophobicContact CB-CD1 4.38Å; L19-L28 HydrophobicContact CB-CD2 4.25Å; L19-L323 HydrophobicContact CD1-CD1 3.66Å; L19-L323 HydrophobicContact CD2-CD1 4.44Å; L19-L323 HydrophobicContact CG-CD1 4.19Å; L19-Y326 HydrophobicContact CD1-CD1 3.87Å; L19-Y326 HydrophobicContact CD1-CE1 4.11Å; L19-Y326 HydrophobicContact CD1-CG 4.19Å; L19-M395 HydrophobicContact CD2-CE 3.78Å; L19-V410 HydrophobicContact CD2-CG1 3.94Å; L19-C412 VanDerWaalsContact CD2-SG 3.59Å; L19-L427 HydrophobicContact CD2-CD1 3.68Å
20T74.8Confident77.2Confident20 Ų2044.4 Ų44.412%0.12326%0.261CS..Hα-helixtrans-89.60.9-167.754.10000114.7M16 T17 N22 T23 K25 L28M16-T20 HydrophobicContact CG-CG2 3.72Å; M16-T20 PolarHBondContact O-N 3.03Å; M16-T20 VanDerWaalsContact O-N 3.12Å; M16-T20 PolarHBondContact O-OG1 2.88Å; M16-T20 HydrophobicContact SD-CG2 3.81Å; T17-T20 WeakPolarHBondContact CA-OG1 3.28Å; T17-T20 PolarHBondContact O-N 2.69Å; T20-N22 PolarHBondContact O-N 3.5Å; T20-T23 CarbonylContact C-O 3.59Å; T20-T23 VanDerWaalsContact CA-O 3.27Å; T20-T23 WeakPolarHBondContact CA-O 3.46Å; T20-K25 HydrophobicContact CG2-CB 3.91Å; T20-K25 HydrophobicContact CG2-CG 4.5Å; T20-L28 HydrophobicContact CG2-CD1 3.98Å
21Y74.1Confident77.9Confident169 Ų16942.8 Ų42.866%0.66325%0.248SC*.THydrogen-bonded Turntrans-58.2-49.7-177.5-176.6-98.6000114T17T17-Y21 PolarHBondContact O-N 2.8Å
22N74.6Confident78.7Confident88 Ų8841.8 Ų41.847%0.47123%0.233SC..THydrogen-bonded Turntrans-105.5-20.4-177-169.235.2000112.9T20 S430T20-N22 PolarHBondContact O-N 3.5Å; N22-S430 PolarHBondContact ND2-OG 2.97Å
23T77.5Confident79.7Confident22 Ų2239.9 Ų39.914%0.13521%0.206CC..SBendtrans-123.6119.4-17946.60000109.1L19 T20 L28L19-T23 PolarHBondContact O-OG1 3.25Å; T20-T23 CarbonylContact C-O 3.59Å; T20-T23 VanDerWaalsContact CA-O 3.27Å; T20-T23 WeakPolarHBondContact CA-O 3.46Å; T23-L28 WeakPolarHBondContact OG1-CD2 3.07Å
24P82.9Confident80.6Confident19 Ų1940 Ų4012%0.12320%0.204CC..  trans-64.9147-178.329.2-35.9000109.7P26 M27 L28 V59P24-P26 VanDerWaalsContact C-N 3.31Å; P24-P26 WeakPolarHBondContact O-CD 3.17Å; P24-P26 VanDerWaalsContact O-N 3.1Å; P24-M27 HydrophobicContact CG-CB 4.12Å; P24-M27 HydrophobicContact CG-CG 3.96Å; P24-M27 PolarHBondContact O-N 3.04Å; P24-L28 PolarHBondContact O-N 3.18Å; P24-V59 HydrophobicContact CB-CG2 3.54Å; P24-V59 HydrophobicContact CG-CG2 3.64Å
25K85.4Confident81.3Confident10 Ų1034.9 Ų34.94%0.04317%0.169CC..G310 helixtrans-45.2-44.4-176.2-173.1-178178.1-156.10114.9M16 T20 M27 L28 L35 D111 V320 N321M16-K25 HydrophobicContact SD-CD 4.05Å; M16-K25 HydrophobicContact SD-CG 3.84Å; T20-K25 HydrophobicContact CG2-CB 3.91Å; T20-K25 HydrophobicContact CG2-CG 4.5Å; K25-M27 PolarHBondContact O-N 3.17Å; K25-L28 HydrophobicContact CG-CD1 4.3Å; K25-L28 WeakPolarHBondContact O-CB 3.4Å; K25-L28 PolarHBondContact O-N 3.38Å; K25-L35 HydrophobicContact CG-CD2 4.36Å; K25-D111 VanDerWaalsContact NZ-CB 3.32Å; K25-D111 IonicContact NZ-OD2 3.44Å; K25-D111 PolarHBondContact NZ-OD2 2.98Å; K25-V320 WeakPolarHBondContact CE-O 3.49Å; K25-V320 PolarHBondContact NZ-O 3.23Å; K25-V320 VanDerWaalsContact NZ-O 3.13Å; K25-N321 PolarHBondContact NZ-OD1 3.19Å
26P85.6Confident82.1Confident1 Ų127.3 Ų27.31%0.00614%0.14CC..G310 helixtrans-65.6-20.7-178.4-16.530.7000113.8A9 P24 L35 M36 V59 C110A9-P26 HydrophobicContact CB-CB 4.11Å; A9-P26 HydrophobicContact CB-CG 3.84Å; A9-P26 WeakPolarHBondContact O-CG 3.29Å; P24-P26 VanDerWaalsContact C-N 3.31Å; P24-P26 WeakPolarHBondContact O-CD 3.17Å; P24-P26 VanDerWaalsContact O-N 3.1Å; P26-L35 PolarHBondContact O-N 3.2Å; P26-M36 HydrophobicContact CB-CE 4.21Å; P26-M36 HydrophobicContact CB-CG 3.25Å; P26-M36 HydrophobicContact CB-SD 3.62Å; P26-M36 WeakPolarHBondContact O-CG 3.41Å; P26-M36 PolarHBondContact O-N 2.92Å; P26-V59 HydrophobicContact CG-CG2 4.18Å; P26-C110 HydrophobicContact CB-CB 4.05Å; P26-C110 HydrophobicContact CG-CB 4.39Å
27M85.1Confident82.7Confident17 Ų1728.2 Ų28.28%0.08414%0.143CC..G310 helixtrans-96.4-1.2179.7-67.6-68.2104.100113.3P24 K25 P34 M36 M62 M63 M69P24-M27 HydrophobicContact CG-CB 4.12Å; P24-M27 HydrophobicContact CG-CG 3.96Å; P24-M27 PolarHBondContact O-N 3.04Å; K25-M27 PolarHBondContact O-N 3.17Å; M27-P34 HydrophobicContact CE-CB 4.34Å; M27-M36 HydrophobicContact CE-CB 4.42Å; M27-M36 HydrophobicContact CE-CE 3.36Å; M27-M36 HydrophobicContact CE-CG 4.17Å; M27-M62 HydrophobicContact CG-CB 4.26Å; M27-M63 HydrophobicContact CE-CG 4.13Å; M27-M69 HydrophobicContact CE-CE 3.75Å
28L87.1Confident83.4Confident0 Ų025.1 Ų25.10%012%0.122CC..  trans-61132.8177.1-71.1174.7000110.2M16 L19 T20 T23 P24 K25 P34 L35 Y326 M395M16-L28 HydrophobicContact SD-CD1 3.61Å; L19-L28 HydrophobicContact CB-CD1 4.38Å; L19-L28 HydrophobicContact CB-CD2 4.25Å; T20-L28 HydrophobicContact CG2-CD1 3.98Å; T23-L28 WeakPolarHBondContact OG1-CD2 3.07Å; P24-L28 PolarHBondContact O-N 3.18Å; K25-L28 HydrophobicContact CG-CD1 4.3Å; K25-L28 WeakPolarHBondContact O-CB 3.4Å; K25-L28 PolarHBondContact O-N 3.38Å; L28-P34 CarbonylContact O-C 3.59Å; L28-L35 PolarHBondContact O-N 2.99Å; L28-Y326 HydrophobicContact CB-CE2 4.23Å; L28-M395 HydrophobicContact CD2-CE 4.22Å
29P86.9Confident84Confident8 Ų822.2 Ų22.25%0.05211%0.107CC..EExtended strand (participates in β ladder)trans-75.7127.7-179.527-30.9000111.5K33 Y326 M395P29-K33 CarbonylContact C-O 3.53Å; P29-K33 WeakPolarHBondContact CA-O 3.28Å; P29-Y326 VanDerWaalsContact O-CE2 3.29Å; P29-Y326 WeakPolarHBondContact O-CE2 3.21Å; P29-Y326 PolarHBondContact O-OH 3.4Å; P29-M395 HydrophobicContact CG-CB 4.38Å; P29-M395 HydrophobicContact CG-CG 3.97Å; P29-M395 HydrophobicContact CG-SD 4.28Å
30V87.8Confident84.6Confident0 Ų022 Ų220%011%0.106CC..EExtended strand (participates in β ladder)trans-119.4117.8163-179.50000107.2N32 K33 L35 Y38 I113 Y326 A329 N330 A333V30-N32 VanDerWaalsContact C-N 3.32Å; V30-N32 PolarHBondContact O-N 2.93Å; V30-K33 PolarHBondContact N-O 3.12Å; V30-K33 PolarHBondContact O-N 3.14Å; V30-L35 HydrophobicContact CG2-CD1 3.71Å; V30-Y38 HydrophobicContact CB-CE2 3.8Å; V30-Y38 HydrophobicContact CG1-CE2 4.26Å; V30-Y38 PolarHBondContact O-OH 2.75Å; V30-I113 HydrophobicContact CB-CD1 4.33Å; V30-I113 HydrophobicContact CG1-CD1 3.91Å; V30-I113 HydrophobicContact CG2-CD1 4.29Å; V30-Y326 HydrophobicContact CG2-CD2 3.99Å; V30-Y326 HydrophobicContact CG2-CE2 3.79Å; V30-A329 HydrophobicContact CG1-CB 4.04Å; V30-N330 WeakPolarHBondContact CA-OD1 3.18Å; V30-A333 HydrophobicContact CG1-CB 4.34Å
31G84.3Confident85.2Confident3 Ų322.4 Ų22.43%0.03111%0.107CC..THydrogen-bonded Turntrans54.645.3-175.100000113.5K33 N330G31-K33 PolarHBondContact O-N 2.75Å; G31-N330 PolarHBondContact N-OD1 3.13Å
32N84.4Confident85.8Confident21 Ų2115 Ų1511%0.1128%0.079CC..THydrogen-bonded Turntrans62.32.6-178.5-64.9-19000117V30 I359 G361 I377 G378V30-N32 VanDerWaalsContact C-N 3.32Å; V30-N32 PolarHBondContact O-N 2.93Å; N32-I359 HydrophobicContact CB-CG2 4.45Å; N32-I359 WeakPolarHBondContact ND2-CG2 3.25Å; N32-G361 WeakPolarHBondContact ND2-CA 3.05Å; N32-G361 PolarHBondContact ND2-N 2.85Å; N32-I377 PolarHBondContact ND2-O 2.86Å; N32-I377 PolarHBondContact OD1-O 3.1Å; N32-G378 VanDerWaalsContact OD1-CA 3.31Å; N32-G378 WeakPolarHBondContact OD1-CA 3.32Å
33K86.1Confident86.5Confident27 Ų2710.9 Ų10.912%0.1176%0.057CC..EExtended strand (participates in β ladder)trans-107141.7168.6-55.4-159.9-169.2-171.80109.9P29 V30 G31 W37 F337 E339P29-K33 CarbonylContact C-O 3.53Å; P29-K33 WeakPolarHBondContact CA-O 3.28Å; V30-K33 PolarHBondContact N-O 3.12Å; V30-K33 PolarHBondContact O-N 3.14Å; G31-K33 PolarHBondContact O-N 2.75Å; K33-W37 HydrophobicContact CB-CB 4.31Å; K33-W37 HydrophobicContact CB-CD2 4.12Å; K33-W37 HydrophobicContact CB-CE3 4.06Å; K33-W37 HydrophobicContact CB-CG 4.23Å; K33-W37 HydrophobicContact CD-CD2 3.55Å; K33-W37 HydrophobicContact CD-CE3 3.69Å; K33-W37 HydrophobicContact CD-CG 4.21Å; K33-W37 HydrophobicContact CD-CH2 3.81Å; K33-W37 HydrophobicContact CD-CZ2 3.67Å; K33-W37 HydrophobicContact CD-CZ3 3.83Å; K33-W37 HydrophobicContact CG-CD2 4.43Å; K33-W37 HydrophobicContact CG-CE3 4.44Å; K33-F337 HydrophobicContact CB-CZ 4.26Å; K33-F337 HydrophobicContact CD-CE1 3.53Å; K33-F337 HydrophobicContact CD-CZ 3.87Å; K33-F337 HydrophobicContact CG-CE1 4.05Å; K33-F337 HydrophobicContact CG-CZ 3.86Å; K33-E339 IonicContact NZ-OE1 2.82Å; K33-E339 PolarHBondContact NZ-OE1 3.46Å; K33-E339 IonicContact NZ-OE2 3.56Å; K33-E339 PolarHBondContact NZ-OE2 3.48Å
34P87.9Confident87Confident14 Ų1412.4 Ų12.49%0.0916%0.062CC..EExtended strand (participates in β ladder)trans-63.2149176.825-34.2000111.4M27 L28 M36 W37 M69M27-P34 HydrophobicContact CE-CB 4.34Å; L28-P34 CarbonylContact O-C 3.59Å; P34-M36 VanDerWaalsContact C-N 3.27Å; P34-M36 PolarHBondContact O-N 3.12Å; P34-W37 HydrophobicContact CG-CB 4.17Å; P34-W37 WeakPolarHBondContact O-CB 3.38Å; P34-W37 PolarHBondContact O-N 2.96Å; P34-M69 HydrophobicContact CB-CE 3.63Å; P34-M69 HydrophobicContact CG-CE 3.06Å; P34-M69 HydrophobicContact CG-CG 4.34Å; P34-M69 HydrophobicContact CG-SD 3.43Å; P34-M69 WeakPolarHBondContact CG-SD 3.43Å
35L87.4Confident87.1Confident0 Ų020 Ų200%09%0.089CC..THydrogen-bonded Turntrans-56-37.3-174.4-165.266.5000113.4K25 P26 L28 V30 W37 Y38 P39 C110 D111 I113 V320K25-L35 HydrophobicContact CG-CD2 4.36Å; P26-L35 PolarHBondContact O-N 3.2Å; L28-L35 PolarHBondContact O-N 2.99Å; V30-L35 HydrophobicContact CG2-CD1 3.71Å; L35-W37 PolarHBondContact O-N 2.99Å; L35-Y38 WeakPolarHBondContact O-CD2 3.22Å; L35-Y38 PolarHBondContact O-N 3.49Å; L35-P39 VanDerWaalsContact O-CD 3.26Å; L35-P39 WeakPolarHBondContact O-CD 3.32Å; L35-C110 CarbonylContact C-O 3.56Å; L35-C110 WeakPolarHBondContact CG-O 3.35Å; L35-D111 HydrophobicContact CD2-CB 3.92Å; L35-I113 HydrophobicContact CD1-CD1 3.87Å; L35-I113 HydrophobicContact CD1-CG1 4.17Å; L35-V320 HydrophobicContact CD1-CB 4Å; L35-V320 HydrophobicContact CD1-CG1 4.27Å; L35-V320 HydrophobicContact CD1-CG2 3.94Å; L35-V320 HydrophobicContact CD2-CB 4.25Å; L35-V320 HydrophobicContact CD2-CG1 4.38Å
36M87.8Confident87.2Confident0 Ų022.9 Ų22.90%011%0.107CC..THydrogen-bonded Turntrans-62.7-22.3175.2-67.2-142.4-74.700114.9L7 A9 P26 M27 P34 Y38 P39 L40 V53 V59 M63 M69 C110L7-M36 HydrophobicContact CD2-SD 3.97Å; A9-M36 HydrophobicContact CB-SD 3.47Å; A9-M36 WeakPolarHBondContact CB-SD 3.41Å; P26-M36 HydrophobicContact CB-CE 4.21Å; P26-M36 HydrophobicContact CB-CG 3.25Å; P26-M36 HydrophobicContact CB-SD 3.62Å; P26-M36 WeakPolarHBondContact O-CG 3.41Å; P26-M36 PolarHBondContact O-N 2.92Å; M27-M36 HydrophobicContact CE-CB 4.42Å; M27-M36 HydrophobicContact CE-CE 3.36Å; M27-M36 HydrophobicContact CE-CG 4.17Å; P34-M36 VanDerWaalsContact C-N 3.27Å; P34-M36 PolarHBondContact O-N 3.12Å; M36-Y38 VanDerWaalsContact C-N 3.26Å; M36-Y38 PolarHBondContact O-N 3.32Å; M36-P39 VanDerWaalsContact O-CD 3.28Å; M36-P39 WeakPolarHBondContact O-CD 3.45Å; M36-P39 WeakPolarHBondContact O-CG 3.44Å; M36-L40 HydrophobicContact CB-CD1 4.32Å; M36-L40 WeakPolarHBondContact O-CB 3.48Å; M36-L40 WeakPolarHBondContact O-CD1 3.3Å; M36-L40 VanDerWaalsContact O-CG 3.23Å; M36-L40 WeakPolarHBondContact O-CG 3.46Å; M36-L40 PolarHBondContact O-N 2.99Å; M36-V53 HydrophobicContact SD-CG1 4.26Å; M36-V59 HydrophobicContact CE-CG1 4.03Å; M36-M63 HydrophobicContact CE-CE 3.74Å; M36-M63 HydrophobicContact CE-CG 4.04Å; M36-M63 HydrophobicContact CE-SD 3.46Å; M36-M63 WeakPolarHBondContact CE-SD 3.46Å; M36-M69 HydrophobicContact CB-CE 3.89Å; M36-C110 HydrophobicContact CG-CB 3.94Å; M36-C110 HydrophobicContact SD-CB 4.31Å
37W88.3Confident87.2Confident25 Ų2525.5 Ų25.510%0.09513%0.134CC..Hα-helixtrans-63.9-35.3-178.5178.687.7000111.6K33 P34 L35 L40 N41 M69 F337K33-W37 HydrophobicContact CB-CB 4.31Å; K33-W37 HydrophobicContact CB-CD2 4.12Å; K33-W37 HydrophobicContact CB-CE3 4.06Å; K33-W37 HydrophobicContact CB-CG 4.23Å; K33-W37 HydrophobicContact CD-CD2 3.55Å; K33-W37 HydrophobicContact CD-CE3 3.69Å; K33-W37 HydrophobicContact CD-CG 4.21Å; K33-W37 HydrophobicContact CD-CH2 3.81Å; K33-W37 HydrophobicContact CD-CZ2 3.67Å; K33-W37 HydrophobicContact CD-CZ3 3.83Å; K33-W37 HydrophobicContact CG-CD2 4.43Å; K33-W37 HydrophobicContact CG-CE3 4.44Å; P34-W37 HydrophobicContact CG-CB 4.17Å; P34-W37 WeakPolarHBondContact O-CB 3.38Å; P34-W37 PolarHBondContact O-N 2.96Å; L35-W37 PolarHBondContact O-N 2.99Å; W37-L40 PolarHBondContact O-N 3.48Å; W37-N41 HydrophobicContact CD2-CB 4.29Å; W37-N41 HydrophobicContact CE3-CB 4.44Å; W37-N41 HydrophobicContact CH2-CB 4.23Å; W37-N41 WeakPolarHBondContact CH2-ND2 3.43Å; W37-N41 HydrophobicContact CZ2-CB 4.07Å; W37-N41 HydrophobicContact CZ3-CB 4.41Å; W37-N41 WeakPolarHBondContact O-CB 3.48Å; W37-N41 PolarHBondContact O-N 3.03Å; W37-M69 HydrophobicContact CB-CE 4.43Å; W37-M69 HydrophobicContact CB-SD 4.33Å; W37-F337 HydrophobicContact CE3-CE1 4.44Å; W37-F337 HydrophobicContact CH2-CD1 4.48Å; W37-F337 AromaticContact CH2-CE1 3.73Å; W37-F337 HydrophobicContact CH2-CE1 3.73Å; W37-F337 AromaticContact CZ3-CE1 3.58Å; W37-F337 HydrophobicContact CZ3-CE1 3.58Å; W37-F337 HydrophobicContact CZ3-CZ 4.07Å
38Y88.4Confident87.4Confident18 Ų1826.2 Ų26.27%0.07114%0.137CC..Hα-helixtrans-61-55.7-179-66.7-89.7000113.6V30 L35 M36 L40 N41 L42 I113 L336 F337V30-Y38 HydrophobicContact CB-CE2 3.8Å; V30-Y38 HydrophobicContact CG1-CE2 4.26Å; V30-Y38 PolarHBondContact O-OH 2.75Å; L35-Y38 WeakPolarHBondContact O-CD2 3.22Å; L35-Y38 PolarHBondContact O-N 3.49Å; M36-Y38 VanDerWaalsContact C-N 3.26Å; M36-Y38 PolarHBondContact O-N 3.32Å; Y38-L40 VanDerWaalsContact C-N 3.29Å; Y38-L40 PolarHBondContact O-N 3.12Å; Y38-N41 PolarHBondContact O-N 2.74Å; Y38-L42 WeakPolarHBondContact O-CB 3.39Å; Y38-L42 PolarHBondContact O-N 2.85Å; Y38-I113 HydrophobicContact CD1-CG1 4.21Å; Y38-I113 HydrophobicContact CD1-CG2 3.92Å; Y38-I113 HydrophobicContact CD2-CD1 4.34Å; Y38-I113 HydrophobicContact CD2-CG1 4.14Å; Y38-I113 HydrophobicContact CE1-CG2 4.22Å; Y38-I113 HydrophobicContact CE2-CD1 4.38Å; Y38-I113 HydrophobicContact CG-CD1 4.48Å; Y38-I113 HydrophobicContact CG-CG1 3.91Å; Y38-I113 HydrophobicContact CG-CG2 4.44Å; Y38-L336 HydrophobicContact CE1-CD1 4.03Å; Y38-F337 HydrophobicContact CE1-CZ 4.14Å; Y38-F337 AromaticContact CZ-CZ 3.93Å; Y38-F337 WeakPolarHBondContact OH-CE2 3.47Å; Y38-F337 VanDerWaalsContact OH-CZ 3.29Å; Y38-F337 WeakPolarHBondContact OH-CZ 3.42Å
39P90Very high87.4Confident1 Ų133.2 Ų33.21%0.00617%0.17CC..Hα-helixtrans-65.7-32.3177.424.9-34.1000112.3L7 L35 M36 L42 L43 V108L7-P39 HydrophobicContact CD1-CB 3.81Å; L7-P39 HydrophobicContact CD1-CG 3.71Å; L35-P39 VanDerWaalsContact O-CD 3.26Å; L35-P39 WeakPolarHBondContact O-CD 3.32Å; M36-P39 VanDerWaalsContact O-CD 3.28Å; M36-P39 WeakPolarHBondContact O-CD 3.45Å; M36-P39 WeakPolarHBondContact O-CG 3.44Å; P39-L42 PolarHBondContact O-N 3.24Å; P39-L43 VanDerWaalsContact O-CG 3.29Å; P39-L43 WeakPolarHBondContact O-CG 3.27Å; P39-L43 PolarHBondContact O-N 2.83Å; P39-V108 HydrophobicContact CB-CG1 3.64Å
40L89.3Confident87.5Confident0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-67.7-47.8176.8-69.3169.4000112.1L7 M36 W37 Y38 L42 L43 E44 V51 I73 M77L7-L40 HydrophobicContact CD2-CD1 4.17Å; L7-L40 HydrophobicContact CD2-CD2 3.75Å; L7-L40 HydrophobicContact CD2-CG 3.8Å; M36-L40 HydrophobicContact CB-CD1 4.32Å; M36-L40 WeakPolarHBondContact O-CB 3.48Å; M36-L40 WeakPolarHBondContact O-CD1 3.3Å; M36-L40 VanDerWaalsContact O-CG 3.23Å; M36-L40 WeakPolarHBondContact O-CG 3.46Å; M36-L40 PolarHBondContact O-N 2.99Å; W37-L40 PolarHBondContact O-N 3.48Å; Y38-L40 VanDerWaalsContact C-N 3.29Å; Y38-L40 PolarHBondContact O-N 3.12Å; L40-L42 PolarHBondContact O-N 2.84Å; L40-L43 PolarHBondContact O-N 2.91Å; L40-L43 VanDerWaalsContact O-N 3.15Å; L40-E44 PolarHBondContact O-N 3.49Å; L40-V51 HydrophobicContact CD2-CB 4.48Å; L40-V51 HydrophobicContact CD2-CG1 4.09Å; L40-I73 HydrophobicContact CB-CD1 3.84Å; L40-I73 HydrophobicContact CD1-CD1 3.59Å; L40-I73 HydrophobicContact CG-CD1 4.32Å; L40-M77 HydrophobicContact CD1-CE 3.47Å; L40-M77 VanDerWaalsContact CD1-CE 3.47Å; L40-M77 HydrophobicContact CD1-SD 4.3Å; L40-M77 HydrophobicContact CD2-CE 4.01Å; L40-M77 HydrophobicContact CG-CE 4.42Å
41N87.8Confident87.6Confident28 Ų2836 Ų3615%0.1518%0.182CC..Hα-helixtrans-59.4-37.6174.7172.843.9000111.3W37 Y38 E44 R45W37-N41 HydrophobicContact CD2-CB 4.29Å; W37-N41 HydrophobicContact CE3-CB 4.44Å; W37-N41 HydrophobicContact CH2-CB 4.23Å; W37-N41 WeakPolarHBondContact CH2-ND2 3.43Å; W37-N41 HydrophobicContact CZ2-CB 4.07Å; W37-N41 HydrophobicContact CZ3-CB 4.41Å; W37-N41 WeakPolarHBondContact O-CB 3.48Å; W37-N41 PolarHBondContact O-N 3.03Å; Y38-N41 PolarHBondContact O-N 2.74Å; N41-E44 WeakPolarHBondContact O-CB 3.37Å; N41-E44 PolarHBondContact O-N 2.9Å; N41-R45 PolarHBondContact ND2-NE 2.85Å; N41-R45 PolarHBondContact ND2-NH2 3.02Å; N41-R45 VanDerWaalsContact O-CG 3.28Å; N41-R45 WeakPolarHBondContact O-CG 3.33Å; N41-R45 PolarHBondContact O-N 2.99Å; N41-R45 PolarHBondContact OD1-NE 2.91Å
42L87.9Confident88Confident14 Ų1436.1 Ų36.17%0.07318%0.182CC..Hα-helixtrans-67.1-40175.6167.3141.9000112.6Y38 P39 L40 E44 V46 T114 L118Y38-L42 WeakPolarHBondContact O-CB 3.39Å; Y38-L42 PolarHBondContact O-N 2.85Å; P39-L42 PolarHBondContact O-N 3.24Å; L40-L42 PolarHBondContact O-N 2.84Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-V46 WeakPolarHBondContact O-CG2 3.29Å; L42-V46 PolarHBondContact O-N 2.84Å; L42-T114 WeakPolarHBondContact CD1-O 3.38Å; L42-T114 WeakPolarHBondContact CD1-OG1 3.38Å; L42-L118 HydrophobicContact CD1-CG 4.26Å; L42-L118 HydrophobicContact CD2-CD1 3.13Å; L42-L118 HydrophobicContact CD2-CD2 3.94Å; L42-L118 HydrophobicContact CD2-CG 3.6Å; L42-L118 HydrophobicContact CG-CD1 3.76Å; L42-L118 HydrophobicContact CG-CG 3.97Å
43L89.1Confident88.2Confident0 Ų035.1 Ų35.10%018%0.177CC..Hα-helixtrans-64.8-36.9171.5-68.8169.6000111.4A5 P39 L40 V46 G47 F48 V51 M75 L106 V108 L118A5-L43 HydrophobicContact CB-CD1 3.88Å; A5-L43 HydrophobicContact CB-CD2 3.79Å; A5-L43 HydrophobicContact CB-CG 4.45Å; P39-L43 VanDerWaalsContact O-CG 3.29Å; P39-L43 WeakPolarHBondContact O-CG 3.27Å; P39-L43 PolarHBondContact O-N 2.83Å; L40-L43 PolarHBondContact O-N 2.91Å; L40-L43 VanDerWaalsContact O-N 3.15Å; L43-V46 PolarHBondContact O-N 3Å; L43-G47 PolarHBondContact O-N 2.79Å; L43-F48 HydrophobicContact CB-CB 4.43Å; L43-F48 HydrophobicContact CB-CD2 4.16Å; L43-F48 HydrophobicContact CD2-CD2 3.64Å; L43-F48 HydrophobicContact CD2-CE2 3.75Å; L43-F48 HydrophobicContact CD2-CG 4.32Å; L43-F48 WeakPolarHBondContact O-CD2 3.41Å; L43-F48 PolarHBondContact O-N 3.4Å; L43-V51 HydrophobicContact CB-CG2 4.42Å; L43-V51 HydrophobicContact CD1-CG1 3.96Å; L43-V51 HydrophobicContact CD1-CG2 3.87Å; L43-M75 HydrophobicContact CB-CE 3.89Å; L43-M75 HydrophobicContact CB-SD 4.42Å; L43-M75 WeakPolarHBondContact O-CE 3.22Å; L43-L106 HydrophobicContact CD2-CD2 3.78Å; L43-V108 HydrophobicContact CD1-CG2 4.33Å; L43-V108 HydrophobicContact CD2-CG2 4.12Å; L43-L118 HydrophobicContact CD2-CD1 4.28Å
44E87.4Confident88.3Confident54 Ų5433.9 Ų33.925%0.25217%0.171SC..Hα-helixtrans-63.2-45.9177-163.4168.9-170.500112.1L40 N41 L42 V46 G47 K74 M75L40-E44 PolarHBondContact O-N 3.49Å; N41-E44 WeakPolarHBondContact O-CB 3.37Å; N41-E44 PolarHBondContact O-N 2.9Å; L42-E44 VanDerWaalsContact C-N 3.31Å; E44-V46 PolarHBondContact O-N 3.31Å; E44-G47 PolarHBondContact O-N 3.12Å; E44-K74 WeakPolarHBondContact OE1-CB 3.31Å; E44-K74 PolarHBondContact OE1-N 3.37Å; E44-M75 HydrophobicContact CB-CE 3.98Å; E44-M75 HydrophobicContact CB-CG 4.03Å; E44-M75 HydrophobicContact CB-SD 3.52Å; E44-M75 VanDerWaalsContact CB-SD 3.52Å; E44-M75 HydrophobicContact CG-CE 4.48Å; E44-M75 HydrophobicContact CG-CG 3.82Å; E44-M75 HydrophobicContact CG-SD 4.02Å; E44-M75 VanDerWaalsContact N-CE 3.27Å
45R85.9Confident88.3Confident179 Ų17933.2 Ų33.268%0.67517%0.167SC*.Hα-helixtrans-61.2-29.9177.1-72.2172.4-177.6-157.5-3.7113.1N41 G47N41-R45 PolarHBondContact ND2-NE 2.85Å; N41-R45 PolarHBondContact ND2-NH2 3.02Å; N41-R45 VanDerWaalsContact O-CG 3.28Å; N41-R45 WeakPolarHBondContact O-CG 3.33Å; N41-R45 PolarHBondContact O-N 2.99Å; N41-R45 PolarHBondContact OD1-NE 2.91Å; R45-G47 VanDerWaalsContact C-N 3.3Å
46V86.2Confident88Confident70 Ų7034.4 Ų34.442%0.42417%0.174SC..Hα-helixtrans-81.4-13.8177.4176.80000112.2L42 L43 E44 F48 L118L42-V46 WeakPolarHBondContact O-CG2 3.29Å; L42-V46 PolarHBondContact O-N 2.84Å; L43-V46 PolarHBondContact O-N 3Å; E44-V46 PolarHBondContact O-N 3.31Å; V46-F48 HydrophobicContact CB-CD2 4.14Å; V46-F48 HydrophobicContact CB-CE2 4.2Å; V46-F48 HydrophobicContact CG1-CD2 4.03Å; V46-F48 HydrophobicContact CG1-CE2 3.69Å; V46-L118 HydrophobicContact CB-CD1 4.42Å; V46-L118 HydrophobicContact CG2-CB 3.83Å; V46-L118 HydrophobicContact CG2-CD1 3.66Å; V46-L118 HydrophobicContact CG2-CG 4.17Å
47G86.4Confident87.5Confident57 Ų5740.1 Ų40.159%0.58820%0.199SC*.THydrogen-bonded Turntrans9125.1176.100000114.4L43 E44 R45L43-G47 PolarHBondContact O-N 2.79Å; E44-G47 PolarHBondContact O-N 3.12Å; R45-G47 VanDerWaalsContact C-N 3.3Å
48F88.6Confident86.9Confident32 Ų3244.4 Ų44.414%0.1422%0.22CC..  trans-66.3142.1167.1-73.2-86.4000109.7L3 A5 L43 V46 M75 L106L3-F48 HydrophobicContact CB-CE1 4.09Å; L3-F48 HydrophobicContact CB-CZ 4.42Å; A5-F48 HydrophobicContact CB-CD1 3.99Å; A5-F48 HydrophobicContact CB-CE1 4.16Å; A5-F48 HydrophobicContact CB-CG 4.32Å; L43-F48 HydrophobicContact CB-CB 4.43Å; L43-F48 HydrophobicContact CB-CD2 4.16Å; L43-F48 HydrophobicContact CD2-CD2 3.64Å; L43-F48 HydrophobicContact CD2-CE2 3.75Å; L43-F48 HydrophobicContact CD2-CG 4.32Å; L43-F48 WeakPolarHBondContact O-CD2 3.41Å; L43-F48 PolarHBondContact O-N 3.4Å; V46-F48 HydrophobicContact CB-CD2 4.14Å; V46-F48 HydrophobicContact CB-CE2 4.2Å; V46-F48 HydrophobicContact CG1-CD2 4.03Å; V46-F48 HydrophobicContact CG1-CE2 3.69Å; F48-M75 VanDerWaalsContact C-CE 3.45Å; F48-M75 HydrophobicContact CB-CE 3.48Å; F48-M75 VanDerWaalsContact CB-CE 3.48Å; F48-M75 WeakPolarHBondContact O-CE 3.29Å; F48-L106 HydrophobicContact CE2-CD2 3.85Å; F48-L106 HydrophobicContact CZ-CD2 3.68Å
49E87.5Confident86.3Confident147 Ų14743.6 Ų43.669%0.68722%0.217SC*.SBendtrans-100.3-28.7177.2-66.1-176.6175.900112.3K76E49-K76 PolarHBondContact O-N 3.11Å
50E89Confident85.5Confident67 Ų6747.4 Ų47.431%0.31324%0.235SC..EExtended strand (participates in β ladder)trans-132136.3-174.7-175.3175.7-160.400110.2M1 K76M1-E50 HydrophobicContact CE-CB 4.23Å; M1-E50 VanDerWaalsContact CE-OE2 3.3Å; M1-E50 WeakPolarHBondContact CE-OE2 3.37Å; E50-K76 WeakPolarHBondContact CA-O 3.16Å
51V90.9Very high84.9Confident0 Ų054.5 Ų54.50%027%0.266CS..EExtended strand (participates in β ladder)trans-133130.9176.6-177.90000109.4A5 L7 L40 L43 V53 M75 K76 E78A5-V51 HydrophobicContact CB-CG1 4.38Å; A5-V51 HydrophobicContact CB-CG2 4.24Å; L7-V51 HydrophobicContact CB-CG1 4.15Å; L40-V51 HydrophobicContact CD2-CB 4.48Å; L40-V51 HydrophobicContact CD2-CG1 4.09Å; L43-V51 HydrophobicContact CB-CG2 4.42Å; L43-V51 HydrophobicContact CD1-CG1 3.96Å; L43-V51 HydrophobicContact CD1-CG2 3.87Å; V51-V53 HydrophobicContact CG1-CG2 4.2Å; V51-M75 HydrophobicContact CG2-CE 4.07Å; V51-M75 HydrophobicContact CG2-SD 4.24Å; V51-K76 PolarHBondContact N-O 3.23Å; V51-E78 PolarHBondContact O-N 2.9Å
52I91.1Very high84.1Confident5 Ų557 Ų573%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-90.4117.3172.9-57.9173.7000107.7A5 V6 L7 E78 V80 K100A5-I52 PolarHBondContact O-N 2.94Å; V6-I52 CarbonylContact C-O 3.59Å; V6-I52 WeakPolarHBondContact CA-O 3.38Å; L7-I52 PolarHBondContact N-O 3.49Å; I52-E78 CarbonylContact C-O 3.52Å; I52-E78 WeakPolarHBondContact CA-O 3.26Å; I52-V80 HydrophobicContact CG2-CG2 3.99Å; I52-K100 HydrophobicContact CD1-CB 4.28Å
53V89.6Confident83.2Confident0 Ų057.3 Ų57.30%028%0.279CS..EExtended strand (participates in β ladder)trans-105120.4178.5-170.20000109.4L7 A9 M36 V51 T55 M77 E78 V79 V80L7-V53 HydrophobicContact CB-CB 4.49Å; L7-V53 HydrophobicContact CB-CG1 4.25Å; L7-V53 HydrophobicContact CB-CG2 4.19Å; L7-V53 HydrophobicContact CD2-CG1 4.05Å; L7-V53 HydrophobicContact CD2-CG2 4.23Å; L7-V53 HydrophobicContact CG-CG1 4.34Å; A9-V53 HydrophobicContact CB-CG1 4.36Å; M36-V53 HydrophobicContact SD-CG1 4.26Å; V51-V53 HydrophobicContact CG1-CG2 4.2Å; V53-T55 HydrophobicContact CB-CG2 4.39Å; V53-T55 HydrophobicContact CG1-CG2 3.52Å; V53-M77 HydrophobicContact CG2-CE 3.65Å; V53-E78 PolarHBondContact N-O 3.45Å; V53-V79 WeakPolarHBondContact O-CA 3.19Å; V53-V80 PolarHBondContact O-N 3.47Å
54I88.8Confident82Confident0 Ų061.2 Ų61.20%031%0.306CS..EExtended strand (participates in β ladder)trans-93.6112175.8-48.8-173.1000108.7V6 L7 M8 A9 A10 V80 V82 A93 I97V6-I54 HydrophobicContact CG1-CD1 3.79Å; V6-I54 HydrophobicContact CG1-CG1 4.01Å; L7-I54 PolarHBondContact O-N 3.12Å; M8-I54 HydrophobicContact CE-CD1 3.85Å; M8-I54 HydrophobicContact SD-CB 4.43Å; M8-I54 HydrophobicContact SD-CD1 3.69Å; M8-I54 HydrophobicContact SD-CG1 4.34Å; A9-I54 CarbonylContact C-O 3.57Å; A9-I54 VanDerWaalsContact CA-O 3.27Å; A9-I54 WeakPolarHBondContact CA-O 3.34Å; A9-I54 WeakPolarHBondContact CB-O 3.49Å; A9-I54 PolarHBondContact N-O 3.23Å; A10-I54 PolarHBondContact N-O 3.11Å; I54-V80 WeakPolarHBondContact CA-O 3.47Å; I54-V82 HydrophobicContact CG2-CB 4.48Å; I54-V82 HydrophobicContact CG2-CG2 3.41Å; I54-V82 VanDerWaalsContact CG2-CG2 3.41Å; I54-A93 HydrophobicContact CD1-CB 4.08Å; I54-A93 WeakPolarHBondContact CD1-O 3.22Å; I54-A93 HydrophobicContact CG2-CB 4.13Å; I54-I97 HydrophobicContact CD1-CD1 3.77Å; I54-I97 HydrophobicContact CD1-CG1 3.99Å; I54-I97 HydrophobicContact CD1-CG2 3.73Å; I54-I97 HydrophobicContact CG1-CD1 4.49Å; I54-I97 HydrophobicContact CG1-CG2 4.01Å
55T86Confident80.8Confident0 Ų064 Ų640%033%0.327CS..EExtended strand (participates in β ladder)trans-125.2162.6-176.169.70000112.2A9 V53 V59 M63 V79 V80 C81 V82A9-T55 HydrophobicContact CB-CG2 4.16Å; V53-T55 HydrophobicContact CB-CG2 4.39Å; V53-T55 HydrophobicContact CG1-CG2 3.52Å; T55-V59 HydrophobicContact CG2-CG1 3.97Å; T55-M63 HydrophobicContact CG2-SD 4.14Å; T55-V79 HydrophobicContact CG2-CG1 4.04Å; T55-V79 WeakPolarHBondContact OG1-CG1 3.23Å; T55-V80 PolarHBondContact N-O 3Å; T55-C81 WeakPolarHBondContact O-CA 3.14Å; T55-V82 PolarHBondContact O-N 3.21Å; T55-V82 VanDerWaalsContact O-N 3.07Å
56T81.9Confident79.7Confident25 Ų2557 Ų5715%0.15330%0.303CS..  trans-81.3168.6162.662.80000111E58 V59 Q60 E84T56-E58 VanDerWaalsContact C-N 3.3Å; T56-E58 PolarHBondContact O-N 3.43Å; T56-V59 PolarHBondContact O-N 3.07Å; T56-V59 WeakPolarHBondContact OG1-CG2 3.44Å; T56-Q60 PolarHBondContact O-N 2.86Å; T56-E84 WeakPolarHBondContact CB-OE1 3.17Å; T56-E84 HydrophobicContact CG2-CG 4.28Å
57K77.5Confident78.3Confident121 Ų12156.7 Ų56.753%0.52630%0.304SS..Hα-helixtrans-66.2-34.8-178.8-71.9177.6-178.1169.70111.7Q60 K61 E84K57-Q60 PolarHBondContact O-N 3.01Å; K57-K61 PolarHBondContact O-N 3.47Å; K57-E84 PolarHBondContact N-OE1 3Å
58E75.1Confident77.1Confident114 Ų11456.9 Ų56.953%0.53329%0.286SS..Hα-helixtrans-63.5-47.4177.9-61.6-174.8157.900112.3T56 Q60 K61 M62T56-E58 VanDerWaalsContact C-N 3.3Å; T56-E58 PolarHBondContact O-N 3.43Å; E58-Q60 VanDerWaalsContact C-N 3.28Å; E58-Q60 PolarHBondContact O-N 2.99Å; E58-K61 PolarHBondContact O-N 2.88Å; E58-M62 PolarHBondContact O-N 3.38Å; E58-M62 VanDerWaalsContact O-N 3.15Å
59V75.6Confident75.7Confident1 Ų155.8 Ų55.81%0.00628%0.282CS..Hα-helixtrans-61.1-40177.5174.50000110.3P24 P26 M36 T55 T56 K61 M62 M63P24-V59 HydrophobicContact CB-CG2 3.54Å; P24-V59 HydrophobicContact CG-CG2 3.64Å; P26-V59 HydrophobicContact CG-CG2 4.18Å; M36-V59 HydrophobicContact CE-CG1 4.03Å; T55-V59 HydrophobicContact CG2-CG1 3.97Å; T56-V59 PolarHBondContact O-N 3.07Å; T56-V59 WeakPolarHBondContact OG1-CG2 3.44Å; V59-K61 VanDerWaalsContact C-N 3.35Å; V59-K61 PolarHBondContact O-N 3.03Å; V59-M62 PolarHBondContact O-N 3.27Å; V59-M63 HydrophobicContact CG1-CG 4.06Å; V59-M63 HydrophobicContact CG1-SD 4.07Å; V59-M63 WeakPolarHBondContact O-CB 3.42Å; V59-M63 VanDerWaalsContact O-CG 3.29Å; V59-M63 WeakPolarHBondContact O-CG 3.17Å; V59-M63 PolarHBondContact O-N 2.89Å
60Q74.3Confident74.3Confident82 Ų8256.3 Ų56.338%0.38328%0.282SS..Hα-helixtrans-60.9-41.8178.5-169-169.623.400112.6T56 K57 E58 M63 S64 V79 C81T56-Q60 PolarHBondContact O-N 2.86Å; K57-Q60 PolarHBondContact O-N 3.01Å; E58-Q60 VanDerWaalsContact C-N 3.28Å; E58-Q60 PolarHBondContact O-N 2.99Å; Q60-M63 PolarHBondContact O-N 2.98Å; Q60-S64 WeakPolarHBondContact O-CB 3.21Å; Q60-S64 PolarHBondContact O-N 2.8Å; Q60-S64 PolarHBondContact O-OG 3.01Å; Q60-V79 HydrophobicContact CG-CG1 4.41Å; Q60-C81 PolarHBondContact OE1-SG 3.36Å
61K75.7Confident72.8Confident149 Ų14962.3 Ų62.365%0.64830%0.302SS*.Hα-helixtrans-61.8-46.3175.8-69174.5-176.4172.90110.6K57 E58 V59 S64 T65K57-K61 PolarHBondContact O-N 3.47Å; E58-K61 PolarHBondContact O-N 2.88Å; V59-K61 VanDerWaalsContact C-N 3.35Å; V59-K61 PolarHBondContact O-N 3.03Å; K61-S64 WeakPolarHBondContact O-CB 3.41Å; K61-S64 PolarHBondContact O-N 2.89Å; K61-T65 PolarHBondContact O-N 3.02Å; K61-T65 VanDerWaalsContact O-N 3.1Å; K61-T65 PolarHBondContact O-OG1 3.12Å; K61-T65 VanDerWaalsContact O-OG1 3.05Å
62M71.4Confident71.5Confident81 Ų8166.4 Ų66.440%0.39932%0.324SS..Hα-helixtrans-64.6-42.8178.8-68.4-66-7800112.2M27 E58 V59 S64 T65 D66M27-M62 HydrophobicContact CG-CB 4.26Å; E58-M62 PolarHBondContact O-N 3.38Å; E58-M62 VanDerWaalsContact O-N 3.15Å; V59-M62 PolarHBondContact O-N 3.27Å; M62-S64 PolarHBondContact O-N 3.26Å; M62-T65 PolarHBondContact O-N 3.41Å; M62-D66 WeakPolarHBondContact O-CB 3.5Å; M62-D66 PolarHBondContact O-N 3.11Å
63M70Confident70.5Confident20 Ų2066.7 Ų66.710%0.09933%0.325CS..Hα-helixtrans-61.1-32.5173.9-73.4-173.583.100112.9M27 M36 T55 V59 Q60 M77M27-M63 HydrophobicContact CE-CG 4.13Å; M36-M63 HydrophobicContact CE-CE 3.74Å; M36-M63 HydrophobicContact CE-CG 4.04Å; M36-M63 HydrophobicContact CE-SD 3.46Å; M36-M63 WeakPolarHBondContact CE-SD 3.46Å; T55-M63 HydrophobicContact CG2-SD 4.14Å; V59-M63 HydrophobicContact CG1-CG 4.06Å; V59-M63 HydrophobicContact CG1-SD 4.07Å; V59-M63 WeakPolarHBondContact O-CB 3.42Å; V59-M63 VanDerWaalsContact O-CG 3.29Å; V59-M63 WeakPolarHBondContact O-CG 3.17Å; V59-M63 PolarHBondContact O-N 2.89Å; Q60-M63 PolarHBondContact O-N 2.98Å; M63-M77 HydrophobicContact CE-CE 3.7Å
64S63.7Low69.8Low81 Ų8175.8 Ų75.857%0.56637%0.365SS*.Hα-helixtrans-72.6-36.2177.9-58.30000111.7Q60 K61 M62Q60-S64 WeakPolarHBondContact O-CB 3.21Å; Q60-S64 PolarHBondContact O-N 2.8Å; Q60-S64 PolarHBondContact O-OG 3.01Å; K61-S64 WeakPolarHBondContact O-CB 3.41Å; K61-S64 PolarHBondContact O-N 2.89Å; M62-S64 PolarHBondContact O-N 3.26Å
65T62.4Low69.3Low113 Ų11376.7 Ų76.769%0.69337%0.369SS*.Hα-helixtrans-72.1-35.5175.2-53.50000111.7K61 M62 S67K61-T65 PolarHBondContact O-N 3.02Å; K61-T65 VanDerWaalsContact O-N 3.1Å; K61-T65 PolarHBondContact O-OG1 3.12Å; K61-T65 VanDerWaalsContact O-OG1 3.05Å; M62-T65 PolarHBondContact O-N 3.41Å; T65-S67 PolarHBondContact O-N 2.81Å
66D63Low69.1Low33 Ų3384.2 Ų84.218%0.17640%0.402CS..  trans-86.482-173.2-142.4-10.4000112.5M62 R68 M69M62-D66 WeakPolarHBondContact O-CB 3.5Å; M62-D66 PolarHBondContact O-N 3.11Å; D66-R68 VanDerWaalsContact CG-NH2 3.3Å; D66-R68 PolarHBondContact O-N 3.11Å; D66-R68 IonicContact OD1-CZ 2.71Å; D66-R68 VanDerWaalsContact OD1-CZ 3.3Å; D66-R68 IonicContact OD1-NE 3.9Å; D66-R68 PolarHBondContact OD1-NE 3.27Å; D66-R68 IonicContact OD1-NH2 3.43Å; D66-R68 PolarHBondContact OD1-NH2 3.1Å; D66-R68 VanDerWaalsContact OD1-NH2 3.11Å; D66-R68 IonicContact OD2-CZ 3.93Å; D66-R68 IonicContact OD2-NE 3.83Å; D66-R68 IonicContact OD2-NH2 2.84Å; D66-R68 PolarHBondContact OD2-NH2 2.71Å; D66-M69 PolarHBondContact O-N 2.93Å
67S56.2Low69.1Low63 Ų6385.8 Ų85.844%0.44141%0.408SS..THydrogen-bonded Turntrans-58-12.5178.462.60000115.1T65T65-S67 PolarHBondContact O-N 2.81Å
68R61.1Low69.5Low60 Ų6083.1 Ų83.123%0.22640%0.398CS..THydrogen-bonded Turntrans-66.2-43178.6-67.4178.9-71.3164.9-5.6112.7D66 K70 R71 D72D66-R68 VanDerWaalsContact CG-NH2 3.3Å; D66-R68 PolarHBondContact O-N 3.11Å; D66-R68 IonicContact OD1-CZ 2.71Å; D66-R68 VanDerWaalsContact OD1-CZ 3.3Å; D66-R68 IonicContact OD1-NE 3.9Å; D66-R68 PolarHBondContact OD1-NE 3.27Å; D66-R68 IonicContact OD1-NH2 3.43Å; D66-R68 PolarHBondContact OD1-NH2 3.1Å; D66-R68 VanDerWaalsContact OD1-NH2 3.11Å; D66-R68 IonicContact OD2-CZ 3.93Å; D66-R68 IonicContact OD2-NE 3.83Å; D66-R68 IonicContact OD2-NH2 2.84Å; D66-R68 PolarHBondContact OD2-NH2 2.71Å; R68-K70 PolarHBondContact O-N 2.84Å; R68-R71 PolarHBondContact O-N 2.75Å; R68-D72 PolarHBondContact O-N 3.13Å
69M60Low69.9Low9 Ų980.2 Ų80.24%0.04439%0.387CS..Hα-helixtrans-59.6-33.9-179.6-71.8-63.6-137.400112.5M27 P34 M36 W37 D66 I73M27-M69 HydrophobicContact CE-CE 3.75Å; P34-M69 HydrophobicContact CB-CE 3.63Å; P34-M69 HydrophobicContact CG-CE 3.06Å; P34-M69 HydrophobicContact CG-CG 4.34Å; P34-M69 HydrophobicContact CG-SD 3.43Å; P34-M69 WeakPolarHBondContact CG-SD 3.43Å; M36-M69 HydrophobicContact CB-CE 3.89Å; W37-M69 HydrophobicContact CB-CE 4.43Å; W37-M69 HydrophobicContact CB-SD 4.33Å; D66-M69 PolarHBondContact O-N 2.93Å; M69-I73 WeakPolarHBondContact O-CB 3.48Å; M69-I73 PolarHBondContact O-N 3.42Å; M69-I73 HydrophobicContact SD-CD1 4.25Å
70K56.5Low70.3Confident158 Ų15881.2 Ų81.269%0.68739%0.393SS*.Hα-helixtrans-78.5-18178.6-65.1-178.5-179.2175.80113.7R68R68-K70 PolarHBondContact O-N 2.84Å
71R58.6Low70.6Confident194 Ų19479.3 Ų79.373%0.73239%0.389SS*.Hα-helixtrans-86.2-37.7179.2-73.5-179.3-174.5178.51.9111.8R68R68-R71 PolarHBondContact O-N 2.75Å
72D64.1Low70.7Confident86 Ų8672.7 Ų72.746%0.4636%0.361SS..Hα-helixtrans-87.9-27.3-173.1-63.6-14.1000112.7R68R68-D72 PolarHBondContact O-N 3.13Å
73I69.9Low70.7Confident11 Ų1171.1 Ų71.16%0.05636%0.357CS..  trans-105.7119.3-175.3-58.2167.7000109.6L40 M69 M75 M77L40-I73 HydrophobicContact CB-CD1 3.84Å; L40-I73 HydrophobicContact CD1-CD1 3.59Å; L40-I73 HydrophobicContact CG-CD1 4.32Å; M69-I73 WeakPolarHBondContact O-CB 3.48Å; M69-I73 PolarHBondContact O-N 3.42Å; M69-I73 HydrophobicContact SD-CD1 4.25Å; I73-M75 HydrophobicContact CG2-CB 3.89Å; I73-M75 HydrophobicContact CG2-CG 4.04Å; I73-M75 HydrophobicContact CG2-SD 4.35Å; I73-M77 HydrophobicContact CD1-SD 4.5Å; I73-M77 HydrophobicContact CG2-SD 4.45Å
74K73.8Confident70.3Confident190 Ų19074.8 Ų74.883%0.82637%0.374SS*.  trans-87.8-6.8178.8-62.2174.3-177.8170.10113.6E44E44-K74 WeakPolarHBondContact OE1-CB 3.31Å; E44-K74 PolarHBondContact OE1-N 3.37Å
75M78.9Confident69.8Low19 Ų1977.5 Ų77.59%0.09438%0.382CS..SBendtrans-75152-176.4-52.8173.5105.600112.7L43 E44 F48 V51 I73 M77L43-M75 HydrophobicContact CB-CE 3.89Å; L43-M75 HydrophobicContact CB-SD 4.42Å; L43-M75 WeakPolarHBondContact O-CE 3.22Å; E44-M75 HydrophobicContact CB-CE 3.98Å; E44-M75 HydrophobicContact CB-CG 4.03Å; E44-M75 HydrophobicContact CB-SD 3.52Å; E44-M75 VanDerWaalsContact CB-SD 3.52Å; E44-M75 HydrophobicContact CG-CE 4.48Å; E44-M75 HydrophobicContact CG-CG 3.82Å; E44-M75 HydrophobicContact CG-SD 4.02Å; E44-M75 VanDerWaalsContact N-CE 3.27Å; F48-M75 VanDerWaalsContact C-CE 3.45Å; F48-M75 HydrophobicContact CB-CE 3.48Å; F48-M75 VanDerWaalsContact CB-CE 3.48Å; F48-M75 WeakPolarHBondContact O-CE 3.29Å; V51-M75 HydrophobicContact CG2-CE 4.07Å; V51-M75 HydrophobicContact CG2-SD 4.24Å; I73-M75 HydrophobicContact CG2-CB 3.89Å; I73-M75 HydrophobicContact CG2-CG 4.04Å; I73-M75 HydrophobicContact CG2-SD 4.35Å; M75-M77 PolarHBondContact O-N 3.13Å
76K81.9Confident69.5Low158 Ų15875 Ų7569%0.68738%0.378SS*.EExtended strand (participates in β ladder)trans-77.9118.3172.4-67.1177.4-1771700109.5E49 E50 V51E49-K76 PolarHBondContact O-N 3.11Å; E50-K76 WeakPolarHBondContact CA-O 3.16Å; V51-K76 PolarHBondContact N-O 3.23Å
77M82.6Confident69.5Low58 Ų5881.9 Ų81.929%0.28642%0.415SS..EExtended strand (participates in β ladder)trans-104.2116178.5-60178.972.100110L40 V53 M63 I73 M75L40-M77 HydrophobicContact CD1-CE 3.47Å; L40-M77 VanDerWaalsContact CD1-CE 3.47Å; L40-M77 HydrophobicContact CD1-SD 4.3Å; L40-M77 HydrophobicContact CD2-CE 4.01Å; L40-M77 HydrophobicContact CG-CE 4.42Å; V53-M77 HydrophobicContact CG2-CE 3.65Å; M63-M77 HydrophobicContact CE-CE 3.7Å; I73-M77 HydrophobicContact CD1-SD 4.5Å; I73-M77 HydrophobicContact CG2-SD 4.45Å; M75-M77 PolarHBondContact O-N 3.13Å
78E84.8Confident70.2Confident66 Ų6681.5 Ų81.531%0.30841%0.407SS..EExtended strand (participates in β ladder)trans-94.7105.7169.8-167.4-176.2-170.500109.1V51 I52 V53 K100V51-E78 PolarHBondContact O-N 2.9Å; I52-E78 CarbonylContact C-O 3.52Å; I52-E78 WeakPolarHBondContact CA-O 3.26Å; V53-E78 PolarHBondContact N-O 3.45Å; E78-K100 WeakPolarHBondContact OE1-CE 3.16Å; E78-K100 IonicContact OE1-NZ 3.85Å; E78-K100 PolarHBondContact OE1-NZ 3.37Å; E78-K100 IonicContact OE2-NZ 2.71Å
79V83.1Confident71.1Confident52 Ų5279.5 Ų79.532%0.31541%0.405SS..EExtended strand (participates in β ladder)trans-87.3121-179.4-176.50000109.7V53 T55 Q60V53-V79 WeakPolarHBondContact O-CA 3.19Å; T55-V79 HydrophobicContact CG2-CG1 4.04Å; T55-V79 WeakPolarHBondContact OG1-CG1 3.23Å; Q60-V79 HydrophobicContact CG-CG1 4.41Å
80V84.8Confident72.3Confident22 Ų2280.8 Ų80.813%0.13341%0.413CS..EExtended strand (participates in β ladder)trans-110.6119.8173.7-174.60000109I52 V53 I54 T55 I97 K100I52-V80 HydrophobicContact CG2-CG2 3.99Å; V53-V80 PolarHBondContact O-N 3.47Å; I54-V80 WeakPolarHBondContact CA-O 3.47Å; T55-V80 PolarHBondContact N-O 3Å; V80-I97 HydrophobicContact CB-CG2 4.25Å; V80-I97 HydrophobicContact CG1-CG2 4.05Å; V80-I97 HydrophobicContact CG2-CG2 4.38Å; V80-K100 HydrophobicContact CG2-CD 4.05Å
81C80.1Confident73.7Confident43 Ų4373.3 Ų73.329%0.29138%0.381SS..EExtended strand (participates in β ladder)trans-91.3123.3177.9-640000110T55 Q60T55-C81 WeakPolarHBondContact O-CA 3.14Å; Q60-C81 PolarHBondContact OE1-SG 3.36Å
82V78.9Confident75.1Confident9 Ų965.8 Ų65.86%0.05536%0.355CS..PPolyproline II helixtrans-92.9136.4171.3179.30000107.4I54 T55 M88 H96I54-V82 HydrophobicContact CG2-CB 4.48Å; I54-V82 HydrophobicContact CG2-CG2 3.41Å; I54-V82 VanDerWaalsContact CG2-CG2 3.41Å; T55-V82 PolarHBondContact O-N 3.21Å; T55-V82 VanDerWaalsContact O-N 3.07Å; V82-M88 HydrophobicContact CG1-CE 3.59Å; V82-M88 HydrophobicContact CG1-SD 3.59Å; V82-M88 VanDerWaalsContact CG1-SD 3.59Å; V82-H96 HydrophobicContact CG2-CB 4.31Å
83P69.9Low76.1Confident49 Ų4961.9 Ų61.932%0.31834%0.335SS..PPolyproline II helixtrans-60.4154.2173.823.9-30.6000110.5D85 M88P83-D85 PolarHBondContact O-N 3.49Å; P83-M88 HydrophobicContact CG-CE 4.2Å; P83-M88 WeakPolarHBondContact O-CE 3.39Å
84E62.1Low77Confident96 Ų9661.4 Ų61.445%0.44933%0.332SS..  trans-91.233.4179.9-72.7162.7-16100111.4T56 K57 G86T56-E84 WeakPolarHBondContact CB-OE1 3.17Å; T56-E84 HydrophobicContact CG2-CG 4.28Å; K57-E84 PolarHBondContact N-OE1 3Å; E84-G86 VanDerWaalsContact C-N 3.33Å; E84-G86 PolarHBondContact O-N 3.46Å
85D52.5Low77.7Confident139 Ų13954 Ų5474%0.74330%0.3SS*.  trans-8281.2-177.5-63.5-31.4000109.4P83P83-D85 PolarHBondContact O-N 3.49Å
86G57.3Low78.1Confident59 Ų5958 Ų5861%0.60832%0.318SS*.SBendtrans91.4176.8174.900000115.9E84 M88E84-G86 VanDerWaalsContact C-N 3.33Å; E84-G86 PolarHBondContact O-N 3.46Å; G86-M88 PolarHBondContact O-N 3.46Å
87D63.1Low78.3Confident178 Ų17850.6 Ų50.695%0.95229%0.285SS*.  trans-66.770.5175.1-76.2-31.9000111.1G89D87-G89 PolarHBondContact O-N 3.26Å
88M71.4Confident78.5Confident56 Ų5650.4 Ų50.428%0.27628%0.284SS..  trans-69.9122.6175.2-86.2-167.4-95.400110.5V82 P83 G86 D92 H96V82-M88 HydrophobicContact CG1-CE 3.59Å; V82-M88 HydrophobicContact CG1-SD 3.59Å; V82-M88 VanDerWaalsContact CG1-SD 3.59Å; P83-M88 HydrophobicContact CG-CE 4.2Å; P83-M88 WeakPolarHBondContact O-CE 3.39Å; G86-M88 PolarHBondContact O-N 3.46Å; M88-D92 HydrophobicContact CB-CB 4.15Å; M88-D92 HydrophobicContact CG-CB 4.13Å; M88-D92 HydrophobicContact SD-CB 4.44Å; M88-H96 PolarHBondContact SD-NE2 2.95Å; M88-H96 VanDerWaalsContact SD-NE2 3.44Å
89G78.7Confident78.6Confident18 Ų1856.2 Ų56.219%0.18631%0.311CS..  trans-79170.8179.300000112.8D87 A91 D92 A93 S226D87-G89 PolarHBondContact O-N 3.26Å; G89-A91 PolarHBondContact O-N 3.43Å; G89-D92 PolarHBondContact N-OD2 3.07Å; G89-D92 WeakPolarHBondContact O-CB 3.43Å; G89-D92 PolarHBondContact O-N 2.84Å; G89-D92 VanDerWaalsContact O-N 3.11Å; G89-A93 PolarHBondContact O-N 2.89Å; G89-A93 VanDerWaalsContact O-N 3.09Å; G89-S226 CarbonylContact C-O 3.54Å; G89-S226 VanDerWaalsContact C-O 3.25Å; G89-S226 WeakPolarHBondContact CA-O 3.37Å
90T84.8Confident78.8Confident36 Ų3657.5 Ų57.522%0.22131%0.312CS..Hα-helixtrans-57-31176.151.80000113.8L94 S226 I228T90-L94 PolarHBondContact O-N 3.19Å; T90-S226 PolarHBondContact N-O 3.39Å; T90-I228 PolarHBondContact OG1-N 2.91Å
91A86.3Confident78.9Confident0 Ų056.6 Ų56.60%031%0.307CS..Hα-helixtrans-77.7-35177.700000111.6G89 A93 L94 R95 L219 I225 S226 I228G89-A91 PolarHBondContact O-N 3.43Å; A91-A93 VanDerWaalsContact C-N 3.33Å; A91-L94 WeakPolarHBondContact O-CB 3.22Å; A91-L94 PolarHBondContact O-N 3.32Å; A91-R95 WeakPolarHBondContact O-CG 3.24Å; A91-R95 PolarHBondContact O-N 3.29Å; A91-R95 VanDerWaalsContact O-N 3.07Å; A91-L219 HydrophobicContact CB-CD2 4.14Å; A91-I225 HydrophobicContact CB-CG2 4.04Å; A91-I225 WeakPolarHBondContact CB-O 3.3Å; A91-S226 VanDerWaalsContact CB-O 3.26Å; A91-S226 WeakPolarHBondContact CB-O 3.28Å; A91-S226 PolarHBondContact N-O 3.04Å; A91-I228 HydrophobicContact CB-CG1 4.27Å
92D87.3Confident79.3Confident36 Ų3662.4 Ų62.419%0.19333%0.327CS..Hα-helixtrans-61.6-43.1172.9-64.6-59.8000111.4M88 G89 L94 R95 H96M88-D92 HydrophobicContact CB-CB 4.15Å; M88-D92 HydrophobicContact CG-CB 4.13Å; M88-D92 HydrophobicContact SD-CB 4.44Å; G89-D92 PolarHBondContact N-OD2 3.07Å; G89-D92 WeakPolarHBondContact O-CB 3.43Å; G89-D92 PolarHBondContact O-N 2.84Å; G89-D92 VanDerWaalsContact O-N 3.11Å; D92-L94 VanDerWaalsContact C-N 3.27Å; D92-L94 PolarHBondContact O-N 2.79Å; D92-R95 WeakPolarHBondContact O-CB 3.35Å; D92-R95 PolarHBondContact O-N 2.83Å; D92-R95 IonicContact OD1-CZ 3.87Å; D92-R95 IonicContact OD1-NH1 2.92Å; D92-R95 PolarHBondContact OD1-NH1 2.96Å; D92-H96 PolarHBondContact O-CD2 3.05Å; D92-H96 PolarHBondContact O-N 2.92Å; D92-H96 VanDerWaalsContact O-N 3.16Å
93A87.1Confident79.9Confident5 Ų563.8 Ų63.84%0.04134%0.336CS..Hα-helixtrans-55.4-42173.400000112.2M8 I54 G89 A91 H96M8-A93 HydrophobicContact SD-CB 4.1Å; I54-A93 HydrophobicContact CD1-CB 4.08Å; I54-A93 WeakPolarHBondContact CD1-O 3.22Å; I54-A93 HydrophobicContact CG2-CB 4.13Å; G89-A93 PolarHBondContact O-N 2.89Å; G89-A93 VanDerWaalsContact O-N 3.09Å; A91-A93 VanDerWaalsContact C-N 3.33Å; A93-H96 PolarHBondContact O-N 3.4Å
94L88.2Confident80.9Confident0 Ų063.6 Ų63.60%033%0.332CS..Hα-helixtrans-65.7-36.4174.7-75179000113.2V6 M8 T90 A91 D92 H96 I97 Q98 I105 V107 L211 L219 I228V6-L94 HydrophobicContact CG1-CD2 4.29Å; M8-L94 HydrophobicContact CE-CD1 4.28Å; M8-L94 HydrophobicContact CE-CD2 3.2Å; M8-L94 HydrophobicContact CE-CG 3.41Å; M8-L94 VanDerWaalsContact CE-CG 3.41Å; T90-L94 PolarHBondContact O-N 3.19Å; A91-L94 WeakPolarHBondContact O-CB 3.22Å; A91-L94 PolarHBondContact O-N 3.32Å; D92-L94 VanDerWaalsContact C-N 3.27Å; D92-L94 PolarHBondContact O-N 2.79Å; L94-H96 VanDerWaalsContact C-N 3.31Å; L94-H96 PolarHBondContact O-N 3.16Å; L94-I97 HydrophobicContact CD2-CD1 4.01Å; L94-I97 HydrophobicContact CD2-CG1 4.39Å; L94-I97 VanDerWaalsContact O-CG1 3.24Å; L94-I97 WeakPolarHBondContact O-CG1 3.32Å; L94-I97 PolarHBondContact O-N 3.14Å; L94-Q98 PolarHBondContact O-N 3.44Å; L94-I105 HydrophobicContact CD1-CD1 4.3Å; L94-I105 HydrophobicContact CD2-CD1 3.91Å; L94-V107 HydrophobicContact CD1-CG2 4.28Å; L94-V107 HydrophobicContact CD2-CG2 4.08Å; L94-L211 HydrophobicContact CD1-CD1 4.46Å; L94-L219 HydrophobicContact CB-CD1 4.28Å; L94-L219 HydrophobicContact CD1-CD1 3.92Å; L94-I228 HydrophobicContact CD1-CD1 3.45Å; L94-I228 VanDerWaalsContact CD1-CD1 3.45Å; L94-I228 HydrophobicContact CD1-CG1 4.19Å; L94-I228 HydrophobicContact CG-CD1 4.23Å
95R87.9Confident82.4Confident36 Ų3659 Ų5914%0.13631%0.31CS..Hα-helixtrans-61.4-41.1177.2-68.2175.6-178.811418.3111.5A91 D92 I97 Q98 L219 N222 I225A91-R95 WeakPolarHBondContact O-CG 3.24Å; A91-R95 PolarHBondContact O-N 3.29Å; A91-R95 VanDerWaalsContact O-N 3.07Å; D92-R95 WeakPolarHBondContact O-CB 3.35Å; D92-R95 PolarHBondContact O-N 2.83Å; D92-R95 IonicContact OD1-CZ 3.87Å; D92-R95 IonicContact OD1-NH1 2.92Å; D92-R95 PolarHBondContact OD1-NH1 2.96Å; R95-I97 PolarHBondContact O-N 3.01Å; R95-Q98 WeakPolarHBondContact O-CB 3.19Å; R95-Q98 PolarHBondContact O-N 2.93Å; R95-L219 HydrophobicContact CG-CB 4.44Å; R95-L219 PolarHBondContact NE-O 3.04Å; R95-L219 PolarHBondContact NH2-O 3.4Å; R95-N222 PolarHBondContact NH2-O 2.6Å; R95-I225 PolarHBondContact NH1-O 3.24Å; R95-I225 PolarHBondContact NH2-O 3.26Å
96H86.8Confident84.3Confident102 Ų10252.4 Ų52.447%0.47228%0.275SS..Hα-helixtrans-62.2-30.3179.1-78-68.7000113.4V82 M88 D92 A93 L94V82-H96 HydrophobicContact CG2-CB 4.31Å; M88-H96 PolarHBondContact SD-NE2 2.95Å; M88-H96 VanDerWaalsContact SD-NE2 3.44Å; D92-H96 PolarHBondContact O-CD2 3.05Å; D92-H96 PolarHBondContact O-N 2.92Å; D92-H96 VanDerWaalsContact O-N 3.16Å; A93-H96 PolarHBondContact O-N 3.4Å; L94-H96 VanDerWaalsContact C-N 3.31Å; L94-H96 PolarHBondContact O-N 3.16Å
97I87.8Confident86.1Confident2 Ų249.6 Ų49.61%0.0125%0.246CC..THydrogen-bonded Turntrans-95.64.1-17864.1155.6000114.2V6 I54 V80 L94 R95 Q99 K100 I101V6-I97 HydrophobicContact CB-CD1 4.36Å; V6-I97 HydrophobicContact CG1-CD1 3.62Å; V6-I97 HydrophobicContact CG2-CD1 3.75Å; I54-I97 HydrophobicContact CD1-CD1 3.77Å; I54-I97 HydrophobicContact CD1-CG1 3.99Å; I54-I97 HydrophobicContact CD1-CG2 3.73Å; I54-I97 HydrophobicContact CG1-CD1 4.49Å; I54-I97 HydrophobicContact CG1-CG2 4.01Å; V80-I97 HydrophobicContact CB-CG2 4.25Å; V80-I97 HydrophobicContact CG1-CG2 4.05Å; V80-I97 HydrophobicContact CG2-CG2 4.38Å; L94-I97 HydrophobicContact CD2-CD1 4.01Å; L94-I97 HydrophobicContact CD2-CG1 4.39Å; L94-I97 VanDerWaalsContact O-CG1 3.24Å; L94-I97 WeakPolarHBondContact O-CG1 3.32Å; L94-I97 PolarHBondContact O-N 3.14Å; R95-I97 PolarHBondContact O-N 3.01Å; I97-Q99 PolarHBondContact O-N 2.91Å; I97-Q99 VanDerWaalsContact O-N 3.1Å; I97-K100 PolarHBondContact O-N 3.19Å; I97-I101 HydrophobicContact CD1-CD1 3.59Å; I97-I101 HydrophobicContact CD1-CG1 4Å; I97-I101 HydrophobicContact CG1-CD1 3.71Å; I97-I101 HydrophobicContact CG1-CG1 4.3Å; I97-I101 PolarHBondContact O-N 3.02Å
98Q85.6Confident87.5Confident55 Ų5541.1 Ų41.126%0.25720%0.201SC..THydrogen-bonded Turntrans-51.4-41.4-175.6-173.7-163.76.900112.9L94 R95 K100 I101 V216 D217 T220L94-Q98 PolarHBondContact O-N 3.44Å; R95-Q98 WeakPolarHBondContact O-CB 3.19Å; R95-Q98 PolarHBondContact O-N 2.93Å; Q98-K100 PolarHBondContact O-N 2.87Å; Q98-I101 PolarHBondContact O-N 2.77Å; Q98-V216 HydrophobicContact CG-CG1 4.31Å; Q98-D217 PolarHBondContact NE2-OD1 3.19Å; Q98-D217 VanDerWaalsContact NE2-OD1 3.07Å; Q98-T220 PolarHBondContact NE2-OG1 2.84Å; Q98-T220 PolarHBondContact OE1-OG1 2.92Å
99Q86.4Confident88.3Confident188 Ų18838.6 Ų38.688%0.87919%0.189SC*.THydrogen-bonded Turntrans-63.2-25-177.6-64.2-175.5-6.600113.3I97I97-Q99 PolarHBondContact O-N 2.91Å; I97-Q99 VanDerWaalsContact O-N 3.1Å
100K87.6Confident88.8Confident78 Ų7838 Ų3834%0.33918%0.181SC..THydrogen-bonded Turntrans-91-23.9-179.7-59.3-168.7179.7-165.80112.7I52 E78 V80 I97 Q98 K102I52-K100 HydrophobicContact CD1-CB 4.28Å; E78-K100 WeakPolarHBondContact OE1-CE 3.16Å; E78-K100 IonicContact OE1-NZ 3.85Å; E78-K100 PolarHBondContact OE1-NZ 3.37Å; E78-K100 IonicContact OE2-NZ 2.71Å; V80-K100 HydrophobicContact CG2-CD 4.05Å; I97-K100 PolarHBondContact O-N 3.19Å; Q98-K100 PolarHBondContact O-N 2.87Å; K100-K102 PolarHBondContact O-N 3.07Å
101I87.8Confident88.9Confident4 Ų436.5 Ų36.52%0.02117%0.172CC..  trans-74.1116.6179.4-65167.6000109.1I97 Q98 T103 I105 K213 V216I97-I101 HydrophobicContact CD1-CD1 3.59Å; I97-I101 HydrophobicContact CD1-CG1 4Å; I97-I101 HydrophobicContact CG1-CD1 3.71Å; I97-I101 HydrophobicContact CG1-CG1 4.3Å; I97-I101 PolarHBondContact O-N 3.02Å; Q98-I101 PolarHBondContact O-N 2.77Å; I101-T103 WeakPolarHBondContact CG2-O 3.33Å; I101-I105 HydrophobicContact CB-CG2 4.36Å; I101-I105 HydrophobicContact CD1-CG2 4.07Å; I101-I105 HydrophobicContact CG1-CG2 4.04Å; I101-I105 HydrophobicContact CG2-CG2 3.39Å; I101-K213 HydrophobicContact CG2-CD 4.24Å; I101-K213 HydrophobicContact CG2-CG 4.4Å; I101-K213 WeakPolarHBondContact O-CE 3.34Å; I101-K213 PolarHBondContact O-NZ 3.38Å; I101-V216 HydrophobicContact CD1-CG1 3.73Å; I101-V216 HydrophobicContact CD1-CG2 4.25Å
102K88.4Confident89.1Confident164 Ų16436.5 Ų36.571%0.71317%0.172SC*.  trans-109.7-28.8177.1-68-179.9-177173.90112.9K100 K213K100-K102 PolarHBondContact O-N 3.07Å; K102-K213 WeakPolarHBondContact O-CD 3.41Å
103T90.4Very high89.1Confident38 Ų3834.9 Ų34.923%0.23316%0.163CC..SBendtrans-122.2-174.7-174.862.30000110.5M1 Q4 I101M1-T103 WeakPolarHBondContact O-CG2 3.28Å; Q4-T103 WeakPolarHBondContact CG-OG1 3.29Å; I101-T103 WeakPolarHBondContact CG2-O 3.33Å
104D91.8Very high89Confident45 Ų4535.4 Ų35.424%0.24117%0.166CC..EExtended strand (participates in β ladder)trans-60.5152170.4-69.2-18.4000110.4L3 Q4 F125 K212 K213L3-D104 CarbonylContact C-O 3.6Å; L3-D104 WeakPolarHBondContact CA-O 3.4Å; L3-D104 HydrophobicContact CD2-CB 3.64Å; Q4-D104 PolarHBondContact N-O 3.38Å; D104-F125 HydrophobicContact CB-CE1 4.4Å; D104-F125 HydrophobicContact CB-CZ 4.36Å; D104-K212 VanDerWaalsContact OD1-CA 3.29Å; D104-K212 WeakPolarHBondContact OD1-CA 3.34Å; D104-K213 PolarHBondContact OD1-N 2.71Å
105I93.2Very high88.7Confident0 Ų039.5 Ų39.50%019%0.188CC..EExtended strand (participates in β ladder)trans-117.5142.4-170.366.2169.4000112Q4 L94 I101 V107 C210 L211 V216Q4-I105 CarbonylContact O-C 3.54Å; Q4-I105 VanDerWaalsContact O-CA 3.31Å; Q4-I105 WeakPolarHBondContact O-CA 3.41Å; L94-I105 HydrophobicContact CD1-CD1 4.3Å; L94-I105 HydrophobicContact CD2-CD1 3.91Å; I101-I105 HydrophobicContact CB-CG2 4.36Å; I101-I105 HydrophobicContact CD1-CG2 4.07Å; I101-I105 HydrophobicContact CG1-CG2 4.04Å; I101-I105 HydrophobicContact CG2-CG2 3.39Å; I105-V107 HydrophobicContact CD1-CG2 3.67Å; I105-V107 HydrophobicContact CG1-CG2 4.18Å; I105-C210 WeakPolarHBondContact O-CA 3.3Å; I105-L211 HydrophobicContact CD1-CB 4.18Å; I105-L211 HydrophobicContact CD1-CD1 3.93Å; I105-L211 HydrophobicContact CG1-CB 3.7Å; I105-L211 HydrophobicContact CG1-CD1 4.22Å; I105-L211 PolarHBondContact N-O 3.04Å; I105-L211 PolarHBondContact O-N 2.8Å; I105-V216 HydrophobicContact CD1-CG2 3.42Å; I105-V216 VanDerWaalsContact CD1-CG2 3.42Å; I105-V216 HydrophobicContact CG1-CG2 4.1Å
106L93.6Very high88.2Confident1 Ų138.3 Ų38.31%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-109.1106.2167.6179.769.2000108.1Q4 A5 V6 L43 F48 V108 L118 L208 Y209 C210Q4-L106 PolarHBondContact O-N 3Å; A5-L106 CarbonylContact C-O 3.6Å; A5-L106 WeakPolarHBondContact CA-O 3.29Å; V6-L106 PolarHBondContact N-O 3.37Å; L43-L106 HydrophobicContact CD2-CD2 3.78Å; F48-L106 HydrophobicContact CE2-CD2 3.85Å; F48-L106 HydrophobicContact CZ-CD2 3.68Å; L106-V108 HydrophobicContact CD2-CG2 4.36Å; L106-V108 HydrophobicContact CG-CG2 4.13Å; L106-L118 HydrophobicContact CD2-CD1 4.44Å; L106-L208 HydrophobicContact CD1-CD1 3.99Å; L106-L208 HydrophobicContact CD1-CG 4.41Å; L106-L208 HydrophobicContact CG-CD1 4.43Å; L106-Y209 CarbonylContact C-O 3.34Å; L106-Y209 WeakPolarHBondContact CA-O 3.05Å; L106-C210 WeakPolarHBondContact CD1-SG 3.48Å
107V93.1Very high87.7Confident0 Ų035.3 Ų35.30%018%0.178CC..EExtended strand (participates in β ladder)trans-89.6121.5177.5-177.40000108.9V6 M8 L94 I105 L208 Y209 L211 I228V6-V107 WeakPolarHBondContact O-CA 3.5Å; M8-V107 HydrophobicContact CE-CG1 3.75Å; M8-V107 HydrophobicContact CG-CG1 3.71Å; L94-V107 HydrophobicContact CD1-CG2 4.28Å; L94-V107 HydrophobicContact CD2-CG2 4.08Å; I105-V107 HydrophobicContact CD1-CG2 3.67Å; I105-V107 HydrophobicContact CG1-CG2 4.18Å; V107-L208 WeakPolarHBondContact O-CA 3.5Å; V107-Y209 PolarHBondContact N-O 3.16Å; V107-Y209 PolarHBondContact O-N 3.38Å; V107-L211 HydrophobicContact CG2-CD1 3.84Å; V107-I228 HydrophobicContact CG1-CD1 4.35Å
108V92.5Very high87.6Confident0 Ų035.5 Ų35.50%018%0.179CC..EExtended strand (participates in β ladder)trans-120.6143.9176-165.30000108.5V6 L7 M8 P39 L43 L106 L112 L208V6-V108 PolarHBondContact O-N 3.09Å; L7-V108 WeakPolarHBondContact CA-O 3.36Å; L7-V108 HydrophobicContact CD1-CB 4.19Å; L7-V108 HydrophobicContact CD1-CG1 4.39Å; M8-V108 PolarHBondContact N-O 2.87Å; P39-V108 HydrophobicContact CB-CG1 3.64Å; L43-V108 HydrophobicContact CD1-CG2 4.33Å; L43-V108 HydrophobicContact CD2-CG2 4.12Å; L106-V108 HydrophobicContact CD2-CG2 4.36Å; L106-V108 HydrophobicContact CG-CG2 4.13Å; V108-L112 HydrophobicContact CG1-CD2 4.18Å; V108-L208 HydrophobicContact CB-CD1 4.3Å; V108-L208 HydrophobicContact CG1-CD1 4.17Å; V108-L208 HydrophobicContact CG2-CD1 3.7Å
109S90.1Very high87.6Confident2 Ų237.6 Ų37.61%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-90.8150.3173.572.90000112.7D111 H207S109-D111 WeakPolarHBondContact CB-OD1 3.46Å; S109-D111 PolarHBondContact O-N 3.48Å; S109-D111 PolarHBondContact OG-OD1 2.7Å; S109-H207 WeakPolarHBondContact CB-ND1 3.49Å
110C87.8Confident87.7Confident5 Ų532.7 Ų32.73%0.03417%0.165CC..THydrogen-bonded Turntrans-64.1-21.5174.758.80000113.8M8 A9 P26 L35 M36M8-C110 VanDerWaalsContact O-CB 3.29Å; M8-C110 WeakPolarHBondContact O-CB 3.16Å; M8-C110 PolarHBondContact O-N 3.48Å; M8-C110 PolarHBondContact O-SG 2.88Å; A9-C110 HydrophobicContact CB-CB 4.05Å; P26-C110 HydrophobicContact CB-CB 4.05Å; P26-C110 HydrophobicContact CG-CB 4.39Å; L35-C110 CarbonylContact C-O 3.56Å; L35-C110 WeakPolarHBondContact CG-O 3.35Å; M36-C110 HydrophobicContact CG-CB 3.94Å; M36-C110 HydrophobicContact SD-CB 4.31Å
111D88Confident87.8Confident5 Ų529 Ų293%0.02715%0.149CC..THydrogen-bonded Turntrans-989.4-173.167.6-25.7000114.5K25 L35 S109 R319 V320 N321K25-D111 VanDerWaalsContact NZ-CB 3.32Å; K25-D111 IonicContact NZ-OD2 3.44Å; K25-D111 PolarHBondContact NZ-OD2 2.98Å; L35-D111 HydrophobicContact CD2-CB 3.92Å; S109-D111 WeakPolarHBondContact CB-OD1 3.46Å; S109-D111 PolarHBondContact O-N 3.48Å; S109-D111 PolarHBondContact OG-OD1 2.7Å; D111-R319 WeakPolarHBondContact OD2-CG 3.33Å; D111-R319 IonicContact OD2-NE 3.92Å; D111-V320 HydrophobicContact CB-CB 4.48Å; D111-V320 PolarHBondContact O-N 3.42Å; D111-N321 PolarHBondContact OD2-ND2 3.27Å; D111-N321 PolarHBondContact OD2-OD1 3.08Å
112L89.1Confident87.9Confident1 Ų129.2 Ų29.21%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-89.5121.7-179.3-175.459.7000111.1V108 T114 A206 L208V108-L112 HydrophobicContact CG1-CD2 4.18Å; L112-T114 HydrophobicContact CD1-CG2 3.37Å; L112-T114 HydrophobicContact CD2-CG2 4.02Å; L112-T114 HydrophobicContact CG-CG2 3.61Å; L112-A206 HydrophobicContact CD1-CB 3.89Å; L112-A206 VanDerWaalsContact CD1-O 3.3Å; L112-A206 WeakPolarHBondContact CD1-O 3.21Å; L112-L208 HydrophobicContact CD2-CB 4.17Å
113I88.9Confident88Confident1 Ų124.7 Ų24.71%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-115.7112170-60175.4000107.6V30 L35 Y38 C317 Y318 V320 A329 L336V30-I113 HydrophobicContact CB-CD1 4.33Å; V30-I113 HydrophobicContact CG1-CD1 3.91Å; V30-I113 HydrophobicContact CG2-CD1 4.29Å; L35-I113 HydrophobicContact CD1-CD1 3.87Å; L35-I113 HydrophobicContact CD1-CG1 4.17Å; Y38-I113 HydrophobicContact CD1-CG1 4.21Å; Y38-I113 HydrophobicContact CD1-CG2 3.92Å; Y38-I113 HydrophobicContact CD2-CD1 4.34Å; Y38-I113 HydrophobicContact CD2-CG1 4.14Å; Y38-I113 HydrophobicContact CE1-CG2 4.22Å; Y38-I113 HydrophobicContact CE2-CD1 4.38Å; Y38-I113 HydrophobicContact CG-CD1 4.48Å; Y38-I113 HydrophobicContact CG-CG1 3.91Å; Y38-I113 HydrophobicContact CG-CG2 4.44Å; I113-C317 CarbonylContact O-C 3.57Å; I113-C317 WeakPolarHBondContact O-CA 3.09Å; I113-Y318 PolarHBondContact N-O 3.4Å; I113-Y318 PolarHBondContact O-N 3.31Å; I113-V320 HydrophobicContact CD1-CG2 3.66Å; I113-V320 HydrophobicContact CG1-CG2 4.24Å; I113-A329 HydrophobicContact CD1-CB 3.75Å; I113-L336 HydrophobicContact CG2-CD1 3.52Å
114T85.1Confident87.8Confident17 Ų1723.4 Ų23.410%0.10413%0.126CC..EExtended strand (participates in β ladder)trans-142.3134.2-17138.10000112.3L42 L112 V116 L316 C317L42-T114 WeakPolarHBondContact CD1-O 3.38Å; L42-T114 WeakPolarHBondContact CD1-OG1 3.38Å; L112-T114 HydrophobicContact CD1-CG2 3.37Å; L112-T114 HydrophobicContact CD2-CG2 4.02Å; L112-T114 HydrophobicContact CG-CG2 3.61Å; T114-V116 VanDerWaalsContact C-N 3.28Å; T114-V116 HydrophobicContact CG2-CG2 3.64Å; T114-L316 WeakPolarHBondContact CA-O 3.49Å; T114-C317 HydrophobicContact CG2-CB 3.84Å; T114-C317 WeakPolarHBondContact CG2-SG 3.49Å
115D81.9Confident87.7Confident86 Ų8621.7 Ų21.746%0.4612%0.117SC..  trans-92.77.3167.2-69.4-25.6000112.9L316 L336D115-L316 PolarHBondContact N-O 3.02Å; D115-L316 WeakPolarHBondContact OD2-CB 3.2Å; D115-L316 WeakPolarHBondContact OD2-CD1 3.44Å; D115-L336 VanDerWaalsContact CG-CD2 3.41Å; D115-L336 WeakPolarHBondContact OD1-CD2 3.43Å; D115-L336 WeakPolarHBondContact OD2-CD2 3.16Å
116V76Confident87.4Confident11 Ų1127.4 Ų27.47%0.06714%0.138CC..  trans-70.9134.8-170.6-171.60000109.7T114 L118 L135 M312 C317T114-V116 VanDerWaalsContact C-N 3.28Å; T114-V116 HydrophobicContact CG2-CG2 3.64Å; V116-L118 PolarHBondContact O-N 3.12Å; V116-L135 HydrophobicContact CB-CD2 4.33Å; V116-L135 HydrophobicContact CG1-CD1 4.24Å; V116-L135 HydrophobicContact CG1-CD2 4.09Å; V116-L135 HydrophobicContact CG2-CD2 4.23Å; V116-M312 HydrophobicContact CB-CE 3.86Å; V116-M312 HydrophobicContact CB-SD 3.74Å; V116-M312 HydrophobicContact CG1-CE 3.56Å; V116-M312 HydrophobicContact CG1-CG 4.38Å; V116-M312 HydrophobicContact CG1-SD 3.36Å; V116-M312 WeakPolarHBondContact CG1-SD 3.16Å; V116-M312 HydrophobicContact CG2-CE 3.34Å; V116-M312 HydrophobicContact CG2-SD 3.01Å; V116-M312 WeakPolarHBondContact CG2-SD 2.99Å; V116-C317 HydrophobicContact CG2-CB 4.36Å
117A76.5Confident86.9Confident39 Ų3930.5 Ų30.532%0.32216%0.164SC..  trans-73.998.917300000109.2H119 E120A117-H119 WeakPolarHBondContact CB-CE1 3.48Å; A117-H119 VanDerWaalsContact CB-ND1 3.33Å; A117-H119 WeakPolarHBondContact CB-ND1 3.34Å; A117-H119 PolarHBondContact O-N 2.89Å; A117-E120 PolarHBondContact O-N 3.4Å
118L85.1Confident86.2Confident5 Ų531.8 Ų31.83%0.02617%0.17CC..THydrogen-bonded Turntrans-51.2-27.8-178.9-79.3-177.4000113.9L42 L43 V46 L106 V116 E120 V121 V122 L208L42-L118 HydrophobicContact CD1-CG 4.26Å; L42-L118 HydrophobicContact CD2-CD1 3.13Å; L42-L118 HydrophobicContact CD2-CD2 3.94Å; L42-L118 HydrophobicContact CD2-CG 3.6Å; L42-L118 HydrophobicContact CG-CD1 3.76Å; L42-L118 HydrophobicContact CG-CG 3.97Å; L43-L118 HydrophobicContact CD2-CD1 4.28Å; V46-L118 HydrophobicContact CB-CD1 4.42Å; V46-L118 HydrophobicContact CG2-CB 3.83Å; V46-L118 HydrophobicContact CG2-CD1 3.66Å; V46-L118 HydrophobicContact CG2-CG 4.17Å; L106-L118 HydrophobicContact CD2-CD1 4.44Å; V116-L118 PolarHBondContact O-N 3.12Å; L118-E120 PolarHBondContact O-N 2.99Å; L118-V121 PolarHBondContact O-N 2.92Å; L118-V121 VanDerWaalsContact O-N 3.14Å; L118-V122 WeakPolarHBondContact O-CG2 3.39Å; L118-V122 PolarHBondContact O-N 3.22Å; L118-V122 VanDerWaalsContact O-N 3.15Å; L118-L208 HydrophobicContact CD2-CD1 3.76Å; L118-L208 HydrophobicContact CD2-CD2 3.25Å; L118-L208 HydrophobicContact CD2-CG 4.13Å
119H87Confident85.6Confident100 Ų10034 Ų3446%0.46318%0.182SC..Hα-helixtrans-57.3-33.6179.767.4-99000111.8A117 V121 V122 D123A117-H119 WeakPolarHBondContact CB-CE1 3.48Å; A117-H119 VanDerWaalsContact CB-ND1 3.33Å; A117-H119 WeakPolarHBondContact CB-ND1 3.34Å; A117-H119 PolarHBondContact O-N 2.89Å; H119-V121 VanDerWaalsContact C-N 3.29Å; H119-V121 PolarHBondContact O-N 3.02Å; H119-V122 CarbonylContact O-C 3.58Å; H119-V122 PolarHBondContact O-N 3.4Å; H119-D123 IonicContact CD2-OD2 3.52Å; H119-D123 WeakPolarHBondContact O-CB 3.31Å; H119-D123 PolarHBondContact O-N 3.32Å
120E88.3Confident85.3Confident84 Ų8433.9 Ų33.939%0.39318%0.181SC..Hα-helixtrans-63-36.9179.5-61.7-176.3171.600112.5A117 L118 L124 H310A117-E120 PolarHBondContact O-N 3.4Å; L118-E120 PolarHBondContact O-N 2.99Å; E120-L124 VanDerWaalsContact O-CG 3.27Å; E120-L124 WeakPolarHBondContact O-CG 3.29Å; E120-L124 PolarHBondContact O-N 3.26Å; E120-H310 IonicContact OE2-CE1 2.75Å; E120-H310 PolarHBondContact OE2-CE1 3.19Å; E120-H310 IonicContact OE2-ND1 4Å; E120-H310 IonicContact OE2-NE2 3.27Å; E120-H310 PolarHBondContact OE2-NE2 2.79Å
121V89Confident85.3Confident1 Ų134 Ų341%0.00618%0.181CC..Hα-helixtrans-73.3-41.9177.3-173.40000110.3L118 H119 L124 F125 A133 L135 L208 H310L118-V121 PolarHBondContact O-N 2.92Å; L118-V121 VanDerWaalsContact O-N 3.14Å; H119-V121 VanDerWaalsContact C-N 3.29Å; H119-V121 PolarHBondContact O-N 3.02Å; V121-L124 PolarHBondContact O-N 2.82Å; V121-F125 PolarHBondContact O-N 2.9Å; V121-A133 HydrophobicContact CG1-CB 4.25Å; V121-L135 HydrophobicContact CG2-CB 4.23Å; V121-L135 HydrophobicContact CG2-CD1 3.87Å; V121-L135 HydrophobicContact CG2-CG 4.5Å; V121-L208 HydrophobicContact CG2-CD2 4.18Å; V121-H310 HydrophobicContact CG2-CB 4.01Å
122V90.2Very high85.4Confident8 Ų833.8 Ų33.85%0.04818%0.18CC..Hα-helixtrans-67.3-37.4178176.30000111.3L3 L118 H119 F125 R126L3-V122 HydrophobicContact CD1-CG1 3.72Å; L3-V122 HydrophobicContact CD1-CG2 4.29Å; L118-V122 WeakPolarHBondContact O-CG2 3.39Å; L118-V122 PolarHBondContact O-N 3.22Å; L118-V122 VanDerWaalsContact O-N 3.15Å; H119-V122 CarbonylContact O-C 3.58Å; H119-V122 PolarHBondContact O-N 3.4Å; V122-F125 WeakPolarHBondContact O-CA 3.41Å; V122-F125 WeakPolarHBondContact O-CB 3.4Å; V122-F125 PolarHBondContact O-N 3Å; V122-F125 VanDerWaalsContact O-N 3.14Å; V122-R126 HydrophobicContact CG1-CG 4.36Å; V122-R126 WeakPolarHBondContact O-CB 3.19Å; V122-R126 WeakPolarHBondContact O-CG 3.34Å; V122-R126 PolarHBondContact O-N 2.95Å
123D89.6Confident85.6Confident70 Ų7033.8 Ų33.837%0.37418%0.181SC..Hα-helixtrans-69-36.6178.5-69.3-18.4000110.8H119 F125 R126 A127H119-D123 IonicContact CD2-OD2 3.52Å; H119-D123 WeakPolarHBondContact O-CB 3.31Å; H119-D123 PolarHBondContact O-N 3.32Å; D123-F125 VanDerWaalsContact C-N 3.33Å; D123-R126 PolarHBondContact O-N 2.83Å; D123-R126 IonicContact OD1-NH1 3.2Å; D123-A127 WeakPolarHBondContact O-CB 3.44Å; D123-A127 PolarHBondContact O-N 2.78Å
124L87Confident85.7Confident11 Ų1133.8 Ų33.86%0.05818%0.181CC..Hα-helixtrans-63.7-39.9169.6-72.8171.4000112E120 V121 H128 K169 H310E120-L124 VanDerWaalsContact O-CG 3.27Å; E120-L124 WeakPolarHBondContact O-CG 3.29Å; E120-L124 PolarHBondContact O-N 3.26Å; V121-L124 PolarHBondContact O-N 2.82Å; L124-H128 PolarHBondContact O-N 2.97Å; L124-K169 HydrophobicContact CD2-CD 3.64Å; L124-K169 HydrophobicContact CD2-CG 4.23Å; L124-H310 HydrophobicContact CD1-CB 3.73Å
125F89.1Confident86Confident8 Ų833 Ų334%0.03518%0.176CC..Hα-helixtrans-62.7-45.1176.1-178-97.9000111.5L3 D104 V121 V122 D123 N129 A130 A133 C210 K212L3-F125 HydrophobicContact CD2-CE1 4.27Å; D104-F125 HydrophobicContact CB-CE1 4.4Å; D104-F125 HydrophobicContact CB-CZ 4.36Å; V121-F125 PolarHBondContact O-N 2.9Å; V122-F125 WeakPolarHBondContact O-CA 3.41Å; V122-F125 WeakPolarHBondContact O-CB 3.4Å; V122-F125 PolarHBondContact O-N 3Å; V122-F125 VanDerWaalsContact O-N 3.14Å; D123-F125 VanDerWaalsContact C-N 3.33Å; F125-N129 CarbonylContact O-C 3.58Å; F125-N129 VanDerWaalsContact O-CA 3.25Å; F125-N129 WeakPolarHBondContact O-CA 3.26Å; F125-N129 PolarHBondContact O-N 3.19Å; F125-N129 VanDerWaalsContact O-N 3.08Å; F125-A130 HydrophobicContact CD2-CB 3.89Å; F125-A130 HydrophobicContact CE2-CB 4.47Å; F125-A130 WeakPolarHBondContact CE2-O 3.33Å; F125-A130 PolarHBondContact O-N 2.99Å; F125-A133 HydrophobicContact CB-CB 3.93Å; F125-A133 HydrophobicContact CD2-CB 4.06Å; F125-A133 HydrophobicContact CG-CB 4.5Å; F125-C210 HydrophobicContact CB-CB 4.13Å; F125-C210 HydrophobicContact CD1-CB 4.46Å; F125-C210 HydrophobicContact CD2-CB 3.57Å; F125-C210 HydrophobicContact CE2-CB 4.04Å; F125-C210 HydrophobicContact CG-CB 3.81Å; F125-K212 HydrophobicContact CE2-CG 4.18Å; F125-K212 HydrophobicContact CZ-CG 3.77Å
126R86.9Confident86.4Confident120 Ų12028.9 Ų28.945%0.45315%0.154SC..Hα-helixtrans-68.2-52.7178.1-72.1169.6172.2159.8-3.7112.6E2 V122 D123 H128 N129E2-R126 IonicContact OE1-CZ 3.68Å; E2-R126 IonicContact OE1-NE 2.71Å; E2-R126 PolarHBondContact OE1-NE 3.34Å; E2-R126 IonicContact OE1-NH2 3.47Å; E2-R126 IonicContact OE2-CZ 3.96Å; E2-R126 IonicContact OE2-NE 3.76Å; E2-R126 PolarHBondContact OE2-NE 3.03Å; E2-R126 IonicContact OE2-NH2 3.3Å; E2-R126 PolarHBondContact OE2-NH2 2.89Å; V122-R126 HydrophobicContact CG1-CG 4.36Å; V122-R126 WeakPolarHBondContact O-CB 3.19Å; V122-R126 WeakPolarHBondContact O-CG 3.34Å; V122-R126 PolarHBondContact O-N 2.95Å; D123-R126 PolarHBondContact O-N 2.83Å; D123-R126 IonicContact OD1-NH1 3.2Å; R126-H128 VanDerWaalsContact C-N 3.29Å; R126-H128 PolarHBondContact O-N 3.2Å; R126-N129 PolarHBondContact O-N 3.21Å
127A83.9Confident86.9Confident67 Ų6728.7 Ų28.755%0.55415%0.153SC*.Hα-helixtrans-60.9-37.7-173.900000112.5D123D123-A127 WeakPolarHBondContact O-CB 3.44Å; D123-A127 PolarHBondContact O-N 2.78Å
128H79.3Confident87.3Confident27 Ų2731.4 Ų31.413%0.12516%0.158CC..THydrogen-bonded Turntrans-102.74.4-179.3-62.7-78000113.9L124 R126 A130 D291 R306 Y308L124-H128 PolarHBondContact O-N 2.97Å; R126-H128 VanDerWaalsContact C-N 3.29Å; R126-H128 PolarHBondContact O-N 3.2Å; H128-A130 PolarHBondContact O-N 2.91Å; H128-D291 IonicContact CE1-OD1 3.97Å; H128-D291 IonicContact CE1-OD2 3.63Å; H128-D291 IonicContact ND1-OD2 3.11Å; H128-D291 PolarHBondContact ND1-OD2 3.42Å; H128-R306 PolarHBondContact O-NH1 3.2Å; H128-Y308 HydrophobicContact CB-CD2 4.03Å; H128-Y308 HydrophobicContact CB-CE1 4.09Å; H128-Y308 HydrophobicContact CB-CE2 3.32Å; H128-Y308 AromaticContact CD2-CE1 3.82Å; H128-Y308 AromaticContact CG-CE1 3.71Å; H128-Y308 AromaticContact CG-CE2 3.9Å; H128-Y308 AromaticContact CG-CZ 3.43Å; H128-Y308 VanDerWaalsContact CG-CZ 3.43Å; H128-Y308 AromaticContact ND1-CE1 3.97Å; H128-Y308 AromaticContact ND1-CZ 3.72Å; H128-Y308 PolarHBondContact ND1-OH 3.11Å
129N79.6Confident86.6Confident46 Ų4632.9 Ų32.925%0.24617%0.171CC..THydrogen-bonded Turntrans43.751-173.6-172.412.7000111.1F125 R126 K212 R306F125-N129 CarbonylContact O-C 3.58Å; F125-N129 VanDerWaalsContact O-CA 3.25Å; F125-N129 WeakPolarHBondContact O-CA 3.26Å; F125-N129 PolarHBondContact O-N 3.19Å; F125-N129 VanDerWaalsContact O-N 3.08Å; R126-N129 PolarHBondContact O-N 3.21Å; N129-K212 WeakPolarHBondContact OD1-CE 3.14Å; N129-K212 PolarHBondContact OD1-NZ 3.45Å; N129-R306 PolarHBondContact O-NE 3.41Å; N129-R306 PolarHBondContact O-NH1 3.29Å; N129-R306 PolarHBondContact O-NH2 3.24Å
130A83.6Confident85.6Confident0 Ų031.5 Ų31.50%016%0.164CC..  trans-66.3150-169.400000111.8F125 H128 K212 Y308F125-A130 HydrophobicContact CD2-CB 3.89Å; F125-A130 HydrophobicContact CE2-CB 4.47Å; F125-A130 WeakPolarHBondContact CE2-O 3.33Å; F125-A130 PolarHBondContact O-N 2.99Å; H128-A130 PolarHBondContact O-N 2.91Å; A130-K212 VanDerWaalsContact O-CE 3.23Å; A130-K212 WeakPolarHBondContact O-CE 3.39Å; A130-K212 WeakPolarHBondContact O-CG 3.45Å; A130-Y308 HydrophobicContact CB-CD2 3.57Å; A130-Y308 HydrophobicContact CB-CE2 4.17Å
131T87.8Confident84.3Confident6 Ų636 Ų364%0.03719%0.185CC..SBendtrans-76.8-38.1168.4-49.30000110.7K212 V215 I272 L305 R306T131-K212 PolarHBondContact O-N 2.94Å; T131-K212 VanDerWaalsContact O-N 3.14Å; T131-V215 HydrophobicContact CG2-CG2 3.47Å; T131-V215 VanDerWaalsContact CG2-CG2 3.47Å; T131-I272 HydrophobicContact CG2-CG2 4.4Å; T131-L305 HydrophobicContact CG2-CD2 3.97Å; T131-R306 WeakPolarHBondContact CA-O 3.35Å; T131-R306 WeakPolarHBondContact CB-O 3.37Å; T131-R306 PolarHBondContact N-O 3.28Å; T131-R306 PolarHBondContact OG1-N 3.2Å
132L90.6Very high82.9Confident1 Ų139.6 Ų39.61%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-139.4130.5178.6173.273.3000108.6Y209 C210 L211 V233 L236 R306 C307 Y308L132-Y209 HydrophobicContact CD1-CD1 4.09Å; L132-Y209 HydrophobicContact CD1-CG 4.45Å; L132-C210 CarbonylContact C-O 3.25Å; L132-C210 WeakPolarHBondContact CA-O 3.47Å; L132-L211 HydrophobicContact CD1-CD2 3.45Å; L132-L211 VanDerWaalsContact CD1-CD2 3.45Å; L132-L211 HydrophobicContact CD1-CG 4Å; L132-V233 HydrophobicContact CD2-CB 4.32Å; L132-V233 HydrophobicContact CD2-CG1 3.99Å; L132-V233 HydrophobicContact CD2-CG2 3.82Å; L132-L236 HydrophobicContact CB-CD1 4.37Å; L132-L236 HydrophobicContact CD2-CD1 4.27Å; L132-R306 PolarHBondContact N-O 3.46Å; L132-R306 VanDerWaalsContact N-O 3.07Å; L132-C307 HydrophobicContact CD2-CB 4.46Å; L132-C307 CarbonylContact O-C 3.59Å; L132-C307 WeakPolarHBondContact O-CA 3.47Å; L132-Y308 PolarHBondContact O-N 2.85Å
133A91.9Very high81.2Confident2 Ų244.1 Ų44.12%0.01723%0.228CC..EExtended strand (participates in β ladder)trans-122.1136.316200000109.2V121 F125 Y209 C210 Y308V121-A133 HydrophobicContact CG1-CB 4.25Å; F125-A133 HydrophobicContact CB-CB 3.93Å; F125-A133 HydrophobicContact CD2-CB 4.06Å; F125-A133 HydrophobicContact CG-CB 4.5Å; A133-Y209 CarbonylContact O-C 3.58Å; A133-Y209 WeakPolarHBondContact O-CA 3.45Å; A133-C210 HydrophobicContact CB-CB 4.12Å; A133-C210 PolarHBondContact N-O 3.17Å; A133-C210 PolarHBondContact O-N 2.64Å; A133-Y308 WeakPolarHBondContact CA-O 3.08Å
134M92.4Very high79.7Confident0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-132.6155.2-17973.6-177.1-76.100112.4M136 L171 M174 D205 L208 Y209 V233 Y308 V309 H310M134-M136 HydrophobicContact CE-CE 4.33Å; M134-M136 HydrophobicContact CE-CG 3.8Å; M134-M136 HydrophobicContact CE-SD 3.88Å; M134-L171 HydrophobicContact SD-CD2 3.88Å; M134-M174 HydrophobicContact CE-CE 4.47Å; M134-M174 HydrophobicContact CE-SD 4.43Å; M134-D205 HydrophobicContact CE-CB 3.97Å; M134-L208 WeakPolarHBondContact CA-O 3.45Å; M134-Y209 HydrophobicContact CB-CD1 3.5Å; M134-Y209 HydrophobicContact CB-CE1 3.69Å; M134-Y209 HydrophobicContact CE-CE1 4Å; M134-Y209 HydrophobicContact SD-CE1 4.42Å; M134-V233 HydrophobicContact SD-CG1 4.01Å; M134-Y308 PolarHBondContact N-O 2.98Å; M134-V309 HydrophobicContact CG-CB 4.1Å; M134-V309 HydrophobicContact CG-CG2 3.81Å; M134-V309 CarbonylContact O-C 3.54Å; M134-V309 WeakPolarHBondContact O-CA 3.2Å; M134-V309 HydrophobicContact SD-CG2 4.49Å; M134-H310 PolarHBondContact O-N 2.92Å
135L91.6Very high78.4Confident0 Ų048.3 Ų48.30%025%0.252CS..EExtended strand (participates in β ladder)trans-104.1132176.1-176.964.9000111.5V116 V121 A206 L208 H310 M312V116-L135 HydrophobicContact CB-CD2 4.33Å; V116-L135 HydrophobicContact CG1-CD1 4.24Å; V116-L135 HydrophobicContact CG1-CD2 4.09Å; V116-L135 HydrophobicContact CG2-CD2 4.23Å; V121-L135 HydrophobicContact CG2-CB 4.23Å; V121-L135 HydrophobicContact CG2-CD1 3.87Å; V121-L135 HydrophobicContact CG2-CG 4.5Å; L135-A206 HydrophobicContact CB-CB 4.11Å; L135-A206 HydrophobicContact CD2-CB 3.96Å; L135-A206 HydrophobicContact CG-CB 3.96Å; L135-A206 WeakPolarHBondContact O-CB 3.46Å; L135-A206 PolarHBondContact O-N 2.71Å; L135-A206 VanDerWaalsContact O-N 3.11Å; L135-L208 HydrophobicContact CB-CB 3.97Å; L135-L208 HydrophobicContact CB-CD2 3.86Å; L135-L208 HydrophobicContact CB-CG 4.45Å; L135-L208 HydrophobicContact CD2-CB 4.4Å; L135-L208 HydrophobicContact CD2-CD2 3.68Å; L135-L208 HydrophobicContact CG-CD2 4.39Å; L135-L208 PolarHBondContact N-O 3.2Å; L135-H310 HydrophobicContact CD1-CB 4.13Å; L135-M312 HydrophobicContact CD1-CG 3.57Å; L135-M312 HydrophobicContact CD1-SD 3.84Å; L135-M312 HydrophobicContact CD2-SD 4.33Å; L135-M312 HydrophobicContact CG-SD 4.4Å
136M89.7Confident77.1Confident0 Ų049.4 Ų49.40%026%0.259CS..EExtended strand (participates in β ladder)trans-127.6140.1172-58.8-168.685.400110.4M134 V162 L203 V204 D205 V309 H310 I311 M312M134-M136 HydrophobicContact CE-CE 4.33Å; M134-M136 HydrophobicContact CE-CG 3.8Å; M134-M136 HydrophobicContact CE-SD 3.88Å; M136-V162 HydrophobicContact CE-CG2 3.42Å; M136-V162 VanDerWaalsContact CE-CG2 3.42Å; M136-V162 HydrophobicContact SD-CB 4.42Å; M136-V162 HydrophobicContact SD-CG1 3.86Å; M136-V162 HydrophobicContact SD-CG2 3.75Å; M136-L203 HydrophobicContact CB-CB 4.48Å; M136-L203 HydrophobicContact CE-CB 3.91Å; M136-L203 HydrophobicContact SD-CD1 4.38Å; M136-V204 WeakPolarHBondContact CA-O 3.29Å; M136-D205 HydrophobicContact CE-CB 3.89Å; M136-D205 HydrophobicContact CG-CB 4.47Å; M136-V309 HydrophobicContact CB-CG2 4.13Å; M136-V309 HydrophobicContact CG-CG2 3.53Å; M136-V309 HydrophobicContact SD-CG2 3.63Å; M136-H310 PolarHBondContact N-O 3.1Å; M136-I311 WeakPolarHBondContact O-CA 2.81Å; M136-M312 PolarHBondContact O-N 3.19Å
137S87.1Confident75.8Confident7 Ų743.9 Ų43.95%0.04924%0.239CC..EExtended strand (participates in β ladder)trans-113.1161.7174.465.70000110.7L203 V204S137-L203 CarbonylContact O-C 3.5Å; S137-L203 VanDerWaalsContact O-CA 3.3Å; S137-L203 WeakPolarHBondContact O-CA 3.15Å; S137-V204 PolarHBondContact N-O 2.83Å; S137-V204 PolarHBondContact O-N 2.81Å
138K83Confident74.5Confident97 Ų9741.7 Ų41.742%0.42222%0.223SC..EExtended strand (participates in β ladder)trans-72136.1168.8-67.3175.6-175.9170.30109.2H140 L203K138-H140 PolarHBondContact O-N 2.88Å; K138-H140 PolarHBondContact O-ND1 3.12Å; K138-L203 HydrophobicContact CG-CD2 4.17Å
139A71.6Confident73.6Confident36 Ų3646 Ų4630%0.29824%0.243SC..PPolyproline II helixtrans-56.2128.3171.800000109.2G202 V204A139-G202 WeakPolarHBondContact CB-O 3.36Å; A139-G202 PolarHBondContact N-O 3.48Å; A139-V204 HydrophobicContact CB-CG2 3.74Å
140H65.8Low71.8Confident70 Ų7051.7 Ų51.732%0.32427%0.266SS..PPolyproline II helixtrans-82.4133.4172.4-84.262.9000109.1K138 F142 Y318 E328K138-H140 PolarHBondContact O-N 2.88Å; K138-H140 PolarHBondContact O-ND1 3.12Å; H140-F142 PolarHBondContact O-N 2.9Å; H140-Y318 HydrophobicContact CB-CE1 4.07Å; H140-Y318 AromaticContact CD2-CZ 3.99Å; H140-Y318 PolarHBondContact CD2-OH 2.99Å; H140-Y318 AromaticContact CG-CE1 3.89Å; H140-E328 IonicContact CD2-OE1 3.77Å
141E59.9Low69.9Low180 Ų18055.5 Ų55.584%0.84131%0.305SS*.  trans-73.6110172.1-67.3-172.3163.400108.8T143E141-T143 PolarHBondContact O-N 2.89Å; E141-T143 VanDerWaalsContact O-N 3.13Å
142F61.5Low67.5Low76 Ų7664 Ų6433%0.33334%0.342SS..  trans-63115177.9-57-77.3000110.1H140 E144 E157 A324 A325 E328H140-F142 PolarHBondContact O-N 2.9Å; F142-E144 VanDerWaalsContact C-N 3.35Å; F142-E144 PolarHBondContact O-N 2.84Å; F142-E157 VanDerWaalsContact CE2-OE1 3.26Å; F142-E157 WeakPolarHBondContact CE2-OE1 3.35Å; F142-A324 HydrophobicContact CD1-CB 3.89Å; F142-A324 HydrophobicContact CE1-CB 4.11Å; F142-A324 HydrophobicContact CG-CB 4.18Å; F142-A325 HydrophobicContact CE1-CB 4.24Å; F142-E328 WeakPolarHBondContact CD1-OE2 3.34Å; F142-E328 WeakPolarHBondContact CE1-OE2 3.37Å
143T54Low65.1Low102 Ų10273.7 Ų73.763%0.62638%0.384SS*.  trans-79.1-10.9-175.150.90000114.6E141 R331E141-T143 PolarHBondContact O-N 2.89Å; E141-T143 VanDerWaalsContact O-N 3.13Å; T143-R331 PolarHBondContact OG1-NH1 2.82Å
144E57.9Low62.7Low78 Ų7882.9 Ų82.936%0.36442%0.418SS..SBendtrans-127154-168.6-71.3-178.7-162.200114.5F142 V146 R331 N391F142-E144 VanDerWaalsContact C-N 3.35Å; F142-E144 PolarHBondContact O-N 2.84Å; E144-V146 PolarHBondContact O-N 2.82Å; E144-R331 IonicContact OE1-NH1 3.69Å; E144-R331 PolarHBondContact OE1-NH1 2.85Å; E144-N391 VanDerWaalsContact CD-ND2 3.33Å; E144-N391 PolarHBondContact OE1-ND2 3.03Å; E144-N391 PolarHBondContact OE2-ND2 3.33Å
145T58.6Low60.2Low91 Ų9189 Ų8956%0.55846%0.455SS*.PPolyproline II helixtrans-70.6121.9175.248.10000110.2
146V63.2Low58.1Low31 Ų3191.6 Ų91.619%0.18848%0.477CS..PPolyproline II helixtrans-66.6129.8175-173.10000109.2E144 G148 Q149 L323 A324E144-V146 PolarHBondContact O-N 2.82Å; V146-G148 PolarHBondContact O-N 3.02Å; V146-Q149 PolarHBondContact O-N 3.35Å; V146-L323 HydrophobicContact CG1-CB 4.11Å; V146-L323 HydrophobicContact CG1-CD2 3.57Å; V146-L323 HydrophobicContact CG1-CG 3.88Å; V146-A324 HydrophobicContact CG2-CB 3.71Å
147P59.1Low56.4Low4 Ų496.3 Ų96.33%0.02650%0.499CS..THydrogen-bonded Turntrans-49.8136.4173.1-3138.9000112.1Q149 I327 G408 Y425P147-Q149 PolarHBondContact O-N 2.91Å; P147-I327 HydrophobicContact CG-CD1 3.88Å; P147-G408 VanDerWaalsContact CG-O 3.3Å; P147-G408 WeakPolarHBondContact CG-O 3.33Å; P147-Y425 VanDerWaalsContact CA-O 3.24Å; P147-Y425 WeakPolarHBondContact CA-O 3.46Å; P147-Y425 VanDerWaalsContact CB-O 3.32Å; P147-Y425 WeakPolarHBondContact CB-O 3.43Å
148G57.4Low55.3Low22 Ų22100.5 Ų100.523%0.22752%0.518CS..THydrogen-bonded Turntrans84-6.3173.700000117.4V146 Y425V146-G148 PolarHBondContact O-N 3.02Å; G148-Y425 PolarHBondContact N-O 3.28Å
149Q60.3Low54.9Low118 Ų118101.1 Ų101.155%0.55152%0.517SS*.  trans-101.996.7177-70.7-169.5-4.600112V146 P147 G151V146-Q149 PolarHBondContact O-N 3.35Å; P147-Q149 PolarHBondContact O-N 2.91Å; Q149-G151 PolarHBondContact O-N 2.91Å
150K42Very low55.4Low165 Ų16599.7 Ų99.772%0.71751%0.505SS*.  trans-67.6101.9164.8-77.8-176.7-179.6172.80109.7K152 N442K150-K152 PolarHBondContact O-N 3.49Å; K150-K152 VanDerWaalsContact O-N 3.07Å; K150-N442 HydrophobicContact CG-CB 4.44Å
151G43.4Very low56.5Low80 Ų8098.7 Ų98.783%0.82550%0.5SS*.SBendtrans71.28.2145.500000119.6Q149 K153Q149-G151 PolarHBondContact O-N 2.91Å; G151-K153 PolarHBondContact O-N 2.79Å
152K37.6Very low57.9Low185 Ų18590.1 Ų90.180%0.80446%0.46SS*.  trans-92.195.6165.4-93.2-175.8177.6177.70110.6K150 R154K150-K152 PolarHBondContact O-N 3.49Å; K150-K152 VanDerWaalsContact O-N 3.07Å; K152-R154 PolarHBondContact O-N 2.87Å
153K39.7Very low59.3Low204 Ų20486.5 Ų86.589%0.88744%0.444SS*.  trans-47.6121.2159-81.3177.1173176.40108.9G151G151-K153 PolarHBondContact O-N 2.79Å
154R41.4Very low61Low194 Ų19481.7 Ų81.773%0.73241%0.414SS*.  trans54.296.3165.6-74.5177.3143.6166.6-1.1115.5K152 A156 R159K152-R154 PolarHBondContact O-N 2.87Å; R154-A156 PolarHBondContact O-N 2.97Å; R154-A156 VanDerWaalsContact O-N 3.11Å; R154-R159 VanDerWaalsContact NH2-NH2 3.15Å
155T40.3Very low62.4Low128 Ų12879.2 Ų79.279%0.78540%0.404SS*.  -65.4102.2128.9-30.80000103.9E157T155-E157 PolarHBondContact O-N 3.28Å
156A46.6Very low63.5Low55 Ų5580 Ų8046%0.45540%0.401SS..  trans-47.7117.3179.400000107.4R154 Q158R154-A156 PolarHBondContact O-N 2.97Å; R154-A156 VanDerWaalsContact O-N 3.11Å; A156-Q158 PolarHBondContact O-N 3.25Å
157E54.3Low64.4Low100 Ų10081.3 Ų81.347%0.46741%0.411SS..  trans-49.6115.8160.3-65.2-176.2130.200105F142 T155 R159F142-E157 VanDerWaalsContact CE2-OE1 3.26Å; F142-E157 WeakPolarHBondContact CE2-OE1 3.35Å; T155-E157 PolarHBondContact O-N 3.28Å; E157-R159 WeakPolarHBondContact O-CG 3.33Å; E157-R159 PolarHBondContact O-N 3.12Å
158Q64Low65.4Low95 Ų9582.1 Ų82.144%0.44442%0.421SS..  trans-48.9110.7175.6-64.4172.9-23.800106.3A156 N176 A178A156-Q158 PolarHBondContact O-N 3.25Å; Q158-N176 WeakPolarHBondContact CB-OD1 3.01Å; Q158-N176 PolarHBondContact OE1-ND2 2.94Å; Q158-A178 HydrophobicContact CG-CB 4.29Å
159R74.4Confident66.7Low109 Ų10985.9 Ų85.941%0.41143%0.431SS..  trans-78.2131.7-171.9-66.5-177.3178.7175.62.6108.6R154 E157 E177R154-R159 VanDerWaalsContact NH2-NH2 3.15Å; E157-R159 WeakPolarHBondContact O-CG 3.33Å; E157-R159 PolarHBondContact O-N 3.12Å; R159-E177 WeakPolarHBondContact CB-OE2 3.35Å; R159-E177 PolarHBondContact N-OE2 3.48Å; R159-E177 WeakPolarHBondContact O-CB 3.33Å; R159-E177 PolarHBondContact O-N 3.16Å
160D82.9Confident68Low7 Ų781.3 Ų81.34%0.03741%0.408CS..EExtended strand (participates in β ladder)trans-82.7131.9169-58.3-42.4000109.6V162 R229D160-V162 HydrophobicContact CB-CG2 4.25Å; D160-R229 IonicContact OD1-CZ 3.4Å; D160-R229 IonicContact OD1-NH2 4Å; D160-R229 PolarHBondContact OD1-NH2 2.78Å; D160-R229 IonicContact OD2-CZ 2.89Å; D160-R229 IonicContact OD2-NH1 2.94Å; D160-R229 IonicContact OD2-NH2 3.66Å; D160-R229 PolarHBondContact OD2-NH2 2.59Å
161F88.3Confident70.2Confident48 Ų4873.4 Ų73.421%0.21137%0.374CS..EExtended strand (participates in β ladder)trans-96.9111.5167.7-63.2-83000108.8F173 M174 A175 E177 L180 L184 I199 T201F161-F173 HydrophobicContact CB-CE1 4.45Å; F161-M174 WeakPolarHBondContact O-CA 3.26Å; F161-A175 PolarHBondContact N-O 3.32Å; F161-A175 PolarHBondContact O-N 3.46Å; F161-A175 VanDerWaalsContact O-N 3.08Å; F161-E177 HydrophobicContact CE2-CB 4.16Å; F161-L180 HydrophobicContact CD2-CD1 3.62Å; F161-L180 HydrophobicContact CE2-CD1 3.67Å; F161-L184 HydrophobicContact CB-CD1 4.11Å; F161-L184 HydrophobicContact CD2-CD1 4.33Å; F161-L184 HydrophobicContact CG-CD1 4.17Å; F161-I199 HydrophobicContact CD1-CG2 4.47Å; F161-T201 HydrophobicContact CD1-CG2 3.58Å; F161-T201 HydrophobicContact CE1-CG2 3.64Å
162V89.9Confident72.3Confident0 Ų069.6 Ų69.60%034%0.335CS..EExtended strand (participates in β ladder)trans-114114.5-177.8-173.40000109.2M136 D160 V164 L171 I199 K200 L203M136-V162 HydrophobicContact CE-CG2 3.42Å; M136-V162 VanDerWaalsContact CE-CG2 3.42Å; M136-V162 HydrophobicContact SD-CB 4.42Å; M136-V162 HydrophobicContact SD-CG1 3.86Å; M136-V162 HydrophobicContact SD-CG2 3.75Å; D160-V162 HydrophobicContact CB-CG2 4.25Å; V162-V164 HydrophobicContact CG1-CG1 4.09Å; V162-L171 HydrophobicContact CG1-CD1 3.57Å; V162-I199 WeakPolarHBondContact O-CA 3.32Å; V162-K200 PolarHBondContact N-O 3.04Å; V162-K200 PolarHBondContact O-N 3.34Å; V162-L203 HydrophobicContact CB-CD1 4.07Å; V162-L203 HydrophobicContact CG1-CD1 4.31Å; V162-L203 HydrophobicContact CG2-CB 4.36Å; V162-L203 HydrophobicContact CG2-CD1 4.21Å
163G89.9Confident74.7Confident0 Ų062 Ų620%030%0.302CS..EExtended strand (participates in β ladder)trans-93.7116.2173.700000110.8L172 F173 H198G163-L172 PolarHBondContact O-N 2.85Å; G163-F173 PolarHBondContact N-O 3.21Å; G163-F173 PolarHBondContact O-N 2.84Å; G163-H198 WeakPolarHBondContact CA-O 3.44Å
164V89.7Confident77Confident1 Ų152.8 Ų52.81%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-112.7154.6175.7-62.10000112V162 R170 M197 H198 V309 I311V162-V164 HydrophobicContact CG1-CG1 4.09Å; V164-R170 WeakPolarHBondContact CA-O 3.33Å; V164-M197 WeakPolarHBondContact O-CA 3.45Å; V164-H198 HydrophobicContact CG2-CB 4Å; V164-H198 PolarHBondContact N-O 3.45Å; V164-H198 PolarHBondContact O-N 3.15Å; V164-V309 HydrophobicContact CG1-CG1 3.58Å; V164-I311 HydrophobicContact CG1-CD1 3.83Å; V164-I311 HydrophobicContact CG2-CD1 4.42Å
165D87.3Confident79.1Confident27 Ų2744.1 Ų44.114%0.14423%0.232CC..EExtended strand (participates in β ladder)trans-65.3170.7173.6-176.855.3000112.5S167 G168 R170 L172 H194D165-S167 PolarHBondContact O-N 2.79Å; D165-S167 PolarHBondContact OD2-N 3.23Å; D165-S167 PolarHBondContact OD2-OG 2.97Å; D165-G168 PolarHBondContact O-N 2.88Å; D165-R170 HydrophobicContact CB-CB 3.9Å; D165-R170 PolarHBondContact N-O 2.97Å; D165-L172 HydrophobicContact CB-CD1 4.12Å; D165-L172 HydrophobicContact CB-CG 4.35Å; D165-H194 IonicContact OD1-CE1 3.81Å; D165-H194 IonicContact OD1-CG 2.85Å; D165-H194 IonicContact OD1-ND1 3.68Å; D165-H194 PolarHBondContact OD1-ND1 2.86Å
166Q82.4Confident81.2Confident107 Ų10739.4 Ų39.450%0.520%0.202SC..THydrogen-bonded Turntrans-55.3-33174.9-175.7178-7.500112.8G168 R196Q166-G168 PolarHBondContact O-N 3.39Å; Q166-R196 HydrophobicContact CB-CB 4.38Å
167S81.3Confident82.9Confident58 Ų5840.6 Ų40.641%0.40620%0.198SC..THydrogen-bonded Turntrans-74.6-9.6177.7-49.50000113.4D165 K169 R293D165-S167 PolarHBondContact O-N 2.79Å; D165-S167 PolarHBondContact OD2-N 3.23Å; D165-S167 PolarHBondContact OD2-OG 2.97Å; S167-K169 PolarHBondContact O-N 3.2Å; S167-K169 VanDerWaalsContact O-N 3.12Å; S167-R293 PolarHBondContact OG-NH2 2.83Å
168G80.2Confident84Confident22 Ų2238.7 Ų38.723%0.22720%0.199CC..SBendtrans73.4-5.6-179.700000115.7D165 Q166D165-G168 PolarHBondContact O-N 2.88Å; Q166-G168 PolarHBondContact O-N 3.39Å
169K85Confident84.6Confident100 Ų10039.4 Ų39.444%0.43521%0.206SC..  trans-100.1-30.2-174.4-67.4176.1171.9-169.70114.4L124 S167 Y308 V309L124-K169 HydrophobicContact CD2-CD 3.64Å; L124-K169 HydrophobicContact CD2-CG 4.23Å; S167-K169 PolarHBondContact O-N 3.2Å; S167-K169 VanDerWaalsContact O-N 3.12Å; K169-Y308 HydrophobicContact CB-CD1 4.25Å; K169-Y308 CarbonylContact O-C 3.53Å; K169-Y308 VanDerWaalsContact O-CA 3.3Å; K169-Y308 WeakPolarHBondContact O-CA 3.28Å; K169-Y308 WeakPolarHBondContact O-CD1 3.13Å; K169-V309 WeakPolarHBondContact CA-O 3.44Å; K169-V309 PolarHBondContact O-N 2.94Å; K169-V309 VanDerWaalsContact O-O 3.13Å
170R87.2Confident84.8Confident22 Ų2236.4 Ų36.48%0.08320%0.198CC..BIsolated β-bridgetrans-92.2129.5-176.8-172174-178.9163.1-0.5110.4V164 D165 L172 Q240 Y308V164-R170 WeakPolarHBondContact CA-O 3.33Å; D165-R170 HydrophobicContact CB-CB 3.9Å; D165-R170 PolarHBondContact N-O 2.97Å; R170-L172 HydrophobicContact CG-CD2 4.21Å; R170-Q240 VanDerWaalsContact NE-NE2 3.11Å; R170-Y308 HydrophobicContact CB-CD1 4.31Å; R170-Y308 HydrophobicContact CB-CE1 4.12Å; R170-Y308 HydrophobicContact CG-CE1 4.45Å
171L89.1Confident84.4Confident0 Ų044.9 Ų44.90%024%0.237CC..EExtended strand (participates in β ladder)trans-84.8121.1177.7-174.164.6000109.3M134 V162 V233 V237 Q240 C307 V309M134-L171 HydrophobicContact SD-CD2 3.88Å; V162-L171 HydrophobicContact CG1-CD1 3.57Å; L171-V233 HydrophobicContact CD2-CG1 3.98Å; L171-V237 HydrophobicContact CD2-CG2 3.51Å; L171-V237 HydrophobicContact CG-CG2 3.86Å; L171-Q240 PolarHBondContact O-OE1 3.31Å; L171-C307 HydrophobicContact CB-CB 4.22Å; L171-C307 PolarHBondContact N-O 3.26Å; L171-C307 VanDerWaalsContact N-O 3.1Å; L171-V309 HydrophobicContact CB-CB 4.43Å; L171-V309 HydrophobicContact CB-CG1 4.43Å
172L87.8Confident83.7Confident0 Ų050.7 Ų50.70%027%0.27CS..EExtended strand (participates in β ladder)trans-107-32.3-178.6-58.6-177.9000112.1G163 D165 R170 I190 H194 M197 V237 F241G163-L172 PolarHBondContact O-N 2.85Å; D165-L172 HydrophobicContact CB-CD1 4.12Å; D165-L172 HydrophobicContact CB-CG 4.35Å; R170-L172 HydrophobicContact CG-CD2 4.21Å; L172-I190 HydrophobicContact CB-CG2 4.19Å; L172-H194 HydrophobicContact CD1-CB 3.65Å; L172-H194 HydrophobicContact CD2-CB 4.34Å; L172-M197 HydrophobicContact CB-SD 4.18Å; L172-M197 HydrophobicContact CD1-CB 4.17Å; L172-M197 HydrophobicContact CD1-CG 4.01Å; L172-M197 HydrophobicContact CD1-SD 4.37Å; L172-V237 VanDerWaalsContact C-CG1 3.45Å; L172-V237 WeakPolarHBondContact O-CG1 3.39Å; L172-F241 HydrophobicContact CD2-CE1 4.17Å; L172-F241 HydrophobicContact CD2-CE2 4.29Å; L172-F241 HydrophobicContact CD2-CZ 3.46Å; L172-F241 VanDerWaalsContact CD2-CZ 3.46Å
173F88.1Confident83.2Confident25 Ų2552.9 Ų52.911%0.1129%0.294CS..EExtended strand (participates in β ladder)trans-152.6139.4-174.4-178.7-91.4000110.5F161 G163 A175 L184 V186 M197F161-F173 HydrophobicContact CB-CE1 4.45Å; G163-F173 PolarHBondContact N-O 3.21Å; G163-F173 PolarHBondContact O-N 2.84Å; F173-A175 HydrophobicContact CE1-CB 3.51Å; F173-A175 HydrophobicContact CZ-CB 3.51Å; F173-L184 HydrophobicContact CD1-CD2 4.48Å; F173-L184 HydrophobicContact CE1-CD1 3.39Å; F173-L184 HydrophobicContact CE1-CD2 3.94Å; F173-L184 HydrophobicContact CE1-CG 3.8Å; F173-L184 HydrophobicContact CZ-CD1 3.52Å; F173-L184 HydrophobicContact CZ-CD2 4.37Å; F173-L184 HydrophobicContact CZ-CG 3.8Å; F173-V186 HydrophobicContact CD2-CG2 4.39Å; F173-V186 HydrophobicContact CE2-CG2 4.39Å; F173-M197 HydrophobicContact CB-SD 4.26Å
174M87.8Confident82.8Confident11 Ų1156 Ų565%0.05431%0.31CS..EExtended strand (participates in β ladder)trans-143.4127.5171.2-173.8175.8179.700108.4M134 F161 R229 V233M134-M174 HydrophobicContact CE-CE 4.47Å; M134-M174 HydrophobicContact CE-SD 4.43Å; F161-M174 WeakPolarHBondContact O-CA 3.26Å; M174-R229 HydrophobicContact CE-CG 4.4Å; M174-V233 HydrophobicContact SD-CB 4.34Å; M174-V233 HydrophobicContact SD-CG1 3.61Å
175A85.4Confident82.5Confident11 Ų1160.6 Ų60.69%0.09134%0.342CS..EExtended strand (participates in β ladder)trans-144.3144.5172.300000110.1F161 F173 L180 L184F161-A175 PolarHBondContact N-O 3.32Å; F161-A175 PolarHBondContact O-N 3.46Å; F161-A175 VanDerWaalsContact O-N 3.08Å; F173-A175 HydrophobicContact CE1-CB 3.51Å; F173-A175 HydrophobicContact CZ-CB 3.51Å; A175-L180 HydrophobicContact CB-CD1 4.27Å; A175-L180 HydrophobicContact CB-CD2 4.47Å; A175-L184 HydrophobicContact CB-CD1 4.2Å
176N83.9Confident82.4Confident30 Ų3061.2 Ų61.216%0.1635%0.347CS..EExtended strand (participates in β ladder)trans-91.2144.6172.9-1670.2000109.4Q158 A178 D179 L180Q158-N176 WeakPolarHBondContact CB-OD1 3.01Å; Q158-N176 PolarHBondContact OE1-ND2 2.94Å; N176-A178 PolarHBondContact O-N 3.4Å; N176-D179 PolarHBondContact O-N 3.25Å; N176-D179 VanDerWaalsContact O-N 3.14Å; N176-L180 WeakPolarHBondContact O-CG 3.36Å
177E82.6Confident82.5Confident80 Ų8062.6 Ų62.637%0.37435%0.347SS..G310 helixtrans-56.3-33.2173-175.2172.7-159.300112.4R159 F161 D179 L180R159-E177 WeakPolarHBondContact CB-OE2 3.35Å; R159-E177 PolarHBondContact N-OE2 3.48Å; R159-E177 WeakPolarHBondContact O-CB 3.33Å; R159-E177 PolarHBondContact O-N 3.16Å; F161-E177 HydrophobicContact CE2-CB 4.16Å; E177-D179 PolarHBondContact O-N 2.94Å; E177-L180 PolarHBondContact O-N 2.97Å
178A77.5Confident82.7Confident59 Ų5967.8 Ų67.849%0.48836%0.363SS..G310 helixtrans-66-23.5178.900000114.3Q158 N176Q158-A178 HydrophobicContact CG-CB 4.29Å; N176-A178 PolarHBondContact O-N 3.4Å
179D76.4Confident82.7Confident111 Ų11169 Ų6959%0.59437%0.368SS*.G310 helixtrans-94.90.8-178.8-56.1-28.4000112.1N176 E177N176-D179 PolarHBondContact O-N 3.25Å; N176-D179 VanDerWaalsContact O-N 3.14Å; E177-D179 PolarHBondContact O-N 2.94Å
180L78.3Confident82.7Confident45 Ų4564.8 Ų64.824%0.23635%0.35CS..  trans-107.9120.8-174.1-67.2167.9000110F161 A175 N176 E177 G183 L184F161-L180 HydrophobicContact CD2-CD1 3.62Å; F161-L180 HydrophobicContact CE2-CD1 3.67Å; A175-L180 HydrophobicContact CB-CD1 4.27Å; A175-L180 HydrophobicContact CB-CD2 4.47Å; N176-L180 WeakPolarHBondContact O-CG 3.36Å; E177-L180 PolarHBondContact O-N 2.97Å; L180-G183 WeakPolarHBondContact CD2-O 3.42Å; L180-L184 HydrophobicContact CD1-CD1 3.8Å; L180-L184 HydrophobicContact CD2-CD1 4.17Å
181E74.6Confident82.5Confident185 Ų18567.8 Ų67.886%0.86437%0.367SS*.SBendtrans-88.2-70.4175.3-64.4176.3174.900110.6
182D72.7Confident82.3Confident170 Ų17078.1 Ų78.191%0.90941%0.406SS*.SBendtrans-111.1-6.7-169.6-69.3-34.8000115.1
183G80Confident81.9Confident47 Ų4783.7 Ų83.749%0.48543%0.43SS..  trans160.3172.3176.700000116.5L180 S185L180-G183 WeakPolarHBondContact CD2-O 3.42Å; G183-S185 PolarHBondContact O-N 3.22Å
184L82.6Confident81.6Confident64 Ų6483.6 Ų83.634%0.33543%0.429SS..  trans-80.3107.8-177.8-158.774.5000111.7F161 F173 A175 L180 V186 I199F161-L184 HydrophobicContact CB-CD1 4.11Å; F161-L184 HydrophobicContact CD2-CD1 4.33Å; F161-L184 HydrophobicContact CG-CD1 4.17Å; F173-L184 HydrophobicContact CD1-CD2 4.48Å; F173-L184 HydrophobicContact CE1-CD1 3.39Å; F173-L184 HydrophobicContact CE1-CD2 3.94Å; F173-L184 HydrophobicContact CE1-CG 3.8Å; F173-L184 HydrophobicContact CZ-CD1 3.52Å; F173-L184 HydrophobicContact CZ-CD2 4.37Å; F173-L184 HydrophobicContact CZ-CG 3.8Å; A175-L184 HydrophobicContact CB-CD1 4.2Å; L180-L184 HydrophobicContact CD1-CD1 3.8Å; L180-L184 HydrophobicContact CD2-CD1 4.17Å; L184-V186 HydrophobicContact CD2-CG2 4.22Å; L184-V186 HydrophobicContact CG-CG2 4.39Å; L184-I199 HydrophobicContact CD2-CD1 3.77Å
185S83.4Confident81.3Confident98 Ų9888.3 Ų88.369%0.68546%0.461SS*.  trans-89.8108177.162.90000112.1G183G183-S185 PolarHBondContact O-N 3.22Å
186V85.1Confident81.4Confident40 Ų4095.2 Ų95.224%0.24249%0.485CS..  trans-104.3128.1175.5-176.20000110.1F173 L184 K188 I191 M197F173-V186 HydrophobicContact CD2-CG2 4.39Å; F173-V186 HydrophobicContact CE2-CG2 4.39Å; L184-V186 HydrophobicContact CD2-CG2 4.22Å; L184-V186 HydrophobicContact CG-CG2 4.39Å; V186-K188 PolarHBondContact O-N 2.98Å; V186-I191 HydrophobicContact CB-CD1 4.5Å; V186-I191 HydrophobicContact CG1-CD1 4.02Å; V186-I191 HydrophobicContact CG1-CG1 4.05Å; V186-M197 HydrophobicContact CG1-CE 4.06Å; V186-M197 HydrophobicContact CG2-CE 4.19Å
187R84.1Confident81.6Confident136 Ų13696.2 Ų96.251%0.51349%0.489SS..  trans-67.8131.4179.1-69.2-177.8176.3-176.1-3110.9S189 I190R187-S189 PolarHBondContact O-N 3.18Å; R187-S189 VanDerWaalsContact O-N 3.08Å; R187-I190 HydrophobicContact CB-CD1 4.1Å; R187-I190 HydrophobicContact CB-CG1 4.15Å; R187-I190 WeakPolarHBondContact O-CB 3.48Å; R187-I190 PolarHBondContact O-N 2.98Å
188K84.3Confident82Confident168 Ų16896.9 Ų96.973%0.7349%0.492SS*.Hα-helixtrans-55.8-28175.4-66.5-179.5-179.5177.60113.2V186 I190 I191 R192V186-K188 PolarHBondContact O-N 2.98Å; K188-I190 VanDerWaalsContact C-N 3.32Å; K188-I190 PolarHBondContact O-N 3.24Å; K188-I191 PolarHBondContact O-N 3.06Å; K188-R192 WeakPolarHBondContact O-CG 3.45Å; K188-R192 PolarHBondContact O-N 3.2Å
189S81.8Confident82.6Confident48 Ų4897.8 Ų97.834%0.33649%0.488SS..Hα-helixtrans-64.6-33.7176.655.30000113.3R187 K193R187-S189 PolarHBondContact O-N 3.18Å; R187-S189 VanDerWaalsContact O-N 3.08Å; S189-K193 PolarHBondContact O-N 2.71Å
190I83.9Confident83.2Confident10 Ų1095.7 Ų95.75%0.05147%0.473CS..Hα-helixtrans-69-49.3177.6-57.6173.1000108.6L172 R187 K188 R192 K193 H194 F241L172-I190 HydrophobicContact CB-CG2 4.19Å; R187-I190 HydrophobicContact CB-CD1 4.1Å; R187-I190 HydrophobicContact CB-CG1 4.15Å; R187-I190 WeakPolarHBondContact O-CB 3.48Å; R187-I190 PolarHBondContact O-N 2.98Å; K188-I190 VanDerWaalsContact C-N 3.32Å; K188-I190 PolarHBondContact O-N 3.24Å; I190-R192 VanDerWaalsContact C-N 3.29Å; I190-R192 PolarHBondContact O-N 3.3Å; I190-K193 PolarHBondContact O-N 2.98Å; I190-K193 VanDerWaalsContact O-N 3.08Å; I190-H194 PolarHBondContact O-N 3.14Å; I190-F241 HydrophobicContact CD1-CD2 4.09Å; I190-F241 HydrophobicContact CG1-CB 3.91Å; I190-F241 HydrophobicContact CG1-CD2 3.77Å; I190-F241 HydrophobicContact CG1-CE2 4.49Å; I190-F241 HydrophobicContact CG1-CG 3.81Å; I190-F241 HydrophobicContact CG2-CD2 4.47Å; I190-F241 HydrophobicContact CG2-CE2 4.43Å
191I84.3Confident83.5Confident86 Ų8697.6 Ų97.644%0.44149%0.487SS..Hα-helixtrans-62.5-35.4-180-61.3169.7000111.7V186 K188 K193 H194 P195V186-I191 HydrophobicContact CB-CD1 4.5Å; V186-I191 HydrophobicContact CG1-CD1 4.02Å; V186-I191 HydrophobicContact CG1-CG1 4.05Å; K188-I191 PolarHBondContact O-N 3.06Å; I191-K193 VanDerWaalsContact C-N 3.32Å; I191-K193 PolarHBondContact O-N 3.15Å; I191-H194 CarbonylContact O-C 3.54Å; I191-H194 VanDerWaalsContact O-C 3.28Å; I191-P195 WeakPolarHBondContact O-CA 3.33Å
192R83.9Confident83.9Confident217 Ų21790.5 Ų90.582%0.81946%0.463SS*.Hα-helixtrans-64.3-34.3175.1-77.7179.2-176.2-172.61.2113.2K188 I190K188-R192 WeakPolarHBondContact O-CG 3.45Å; K188-R192 PolarHBondContact O-N 3.2Å; I190-R192 VanDerWaalsContact C-N 3.29Å; I190-R192 PolarHBondContact O-N 3.3Å
193K78.4Confident84.5Confident117 Ų11782.9 Ų82.951%0.50942%0.422SS..Hα-helixtrans-85.4-40.3179.2-72.7-177.4172.6-168.50112S189 I190 I191 F241S189-K193 PolarHBondContact O-N 2.71Å; I190-K193 PolarHBondContact O-N 2.98Å; I190-K193 VanDerWaalsContact O-N 3.08Å; I191-K193 VanDerWaalsContact C-N 3.32Å; I191-K193 PolarHBondContact O-N 3.15Å; K193-F241 HydrophobicContact CD-CD1 4.06Å
194H82.2Confident84.7Confident22 Ų2282.7 Ų82.710%0.10241%0.412CS..  trans-121.790.7178.7-69-85.6000108.9D165 L172 I190 I191 R196 F241D165-H194 IonicContact OD1-CE1 3.81Å; D165-H194 IonicContact OD1-CG 2.85Å; D165-H194 IonicContact OD1-ND1 3.68Å; D165-H194 PolarHBondContact OD1-ND1 2.86Å; L172-H194 HydrophobicContact CD1-CB 3.65Å; L172-H194 HydrophobicContact CD2-CB 4.34Å; I190-H194 PolarHBondContact O-N 3.14Å; I191-H194 CarbonylContact O-C 3.54Å; I191-H194 VanDerWaalsContact O-C 3.28Å; H194-R196 PolarHBondContact O-N 2.98Å; H194-F241 AromaticContact CD2-CE1 3.81Å
195P82.8Confident85Confident110 Ų11079.6 Ų79.671%0.71440%0.396SS*.SBendtrans-69.2-20.6-175.827.1-34.6000113I191I191-P195 WeakPolarHBondContact O-CA 3.33Å
196R85.9Confident85.2Confident157 Ų15775 Ų7559%0.59236%0.363SS*.  trans-114.7109.8178.5-67.2-179.8174.6-171.1-1.9109.5Q166 H194Q166-R196 HydrophobicContact CB-CB 4.38Å; H194-R196 PolarHBondContact O-N 2.98Å
197M88.6Confident85.4Confident50 Ų5073.6 Ų73.625%0.24635%0.354CS..EExtended strand (participates in β ladder)trans-124.3129.7177.1179.7176.668.400109.5V164 L172 F173 V186 I199V164-M197 WeakPolarHBondContact O-CA 3.45Å; L172-M197 HydrophobicContact CB-SD 4.18Å; L172-M197 HydrophobicContact CD1-CB 4.17Å; L172-M197 HydrophobicContact CD1-CG 4.01Å; L172-M197 HydrophobicContact CD1-SD 4.37Å; F173-M197 HydrophobicContact CB-SD 4.26Å; V186-M197 HydrophobicContact CG1-CE 4.06Å; V186-M197 HydrophobicContact CG2-CE 4.19Å; M197-I199 HydrophobicContact CE-CD1 3.93Å; M197-I199 HydrophobicContact CE-CG1 3.97Å
198H90.5Very high85.8Confident95 Ų9567.2 Ų67.244%0.4433%0.33SS..EExtended strand (participates in β ladder)trans-99.6118.2173.7-61.593.7000109.1G163 V164G163-H198 WeakPolarHBondContact CA-O 3.44Å; V164-H198 HydrophobicContact CG2-CB 4Å; V164-H198 PolarHBondContact N-O 3.45Å; V164-H198 PolarHBondContact O-N 3.15Å
199I90.2Very high86.2Confident78 Ų7859.2 Ų59.240%0.430%0.295SS..EExtended strand (participates in β ladder)trans-93.1118.2172.9-59.1174.1000107.6F161 V162 L184 M197F161-I199 HydrophobicContact CD1-CG2 4.47Å; V162-I199 WeakPolarHBondContact O-CA 3.32Å; L184-I199 HydrophobicContact CD2-CD1 3.77Å; M197-I199 HydrophobicContact CE-CD1 3.93Å; M197-I199 HydrophobicContact CE-CG1 3.97Å
200K88.9Confident86.8Confident67 Ų6756.9 Ų56.929%0.29128%0.279SS..EExtended strand (participates in β ladder)trans-103.6130.2174.3-68.5-179.2177-1760109V162 L203 I311V162-K200 PolarHBondContact N-O 3.04Å; V162-K200 PolarHBondContact O-N 3.34Å; K200-L203 HydrophobicContact CB-CD1 3.81Å; K200-L203 HydrophobicContact CB-CG 4.13Å; K200-L203 HydrophobicContact CD-CD1 4.13Å; K200-I311 HydrophobicContact CD-CD1 3.9Å
201T85.2Confident87.2Confident85 Ų8556.5 Ų56.552%0.52128%0.277SS..EExtended strand (participates in β ladder)trans-107.7145.9170.353.40000108.5F161F161-T201 HydrophobicContact CD1-CG2 3.58Å; F161-T201 HydrophobicContact CE1-CG2 3.64Å
202G82.6Confident87.4Confident35 Ų3553.4 Ų53.436%0.36126%0.26SS..EExtended strand (participates in β ladder)trans8523.8-176.800000114.3A139A139-G202 WeakPolarHBondContact CB-O 3.36Å; A139-G202 PolarHBondContact N-O 3.48Å
203L86.6Confident87.6Confident11 Ų1145.5 Ų45.56%0.05823%0.232CC..EExtended strand (participates in β ladder)trans-90.5141.1162.7-63.5179000109.1M136 S137 K138 V162 K200 I311M136-L203 HydrophobicContact CB-CB 4.48Å; M136-L203 HydrophobicContact CE-CB 3.91Å; M136-L203 HydrophobicContact SD-CD1 4.38Å; S137-L203 CarbonylContact O-C 3.5Å; S137-L203 VanDerWaalsContact O-CA 3.3Å; S137-L203 WeakPolarHBondContact O-CA 3.15Å; K138-L203 HydrophobicContact CG-CD2 4.17Å; V162-L203 HydrophobicContact CB-CD1 4.07Å; V162-L203 HydrophobicContact CG1-CD1 4.31Å; V162-L203 HydrophobicContact CG2-CB 4.36Å; V162-L203 HydrophobicContact CG2-CD1 4.21Å; K200-L203 HydrophobicContact CB-CD1 3.81Å; K200-L203 HydrophobicContact CB-CG 4.13Å; K200-L203 HydrophobicContact CD-CD1 4.13Å; L203-I311 HydrophobicContact CD1-CD1 3.82Å; L203-I311 HydrophobicContact CD1-CG1 4.12Å; L203-I311 HydrophobicContact CD1-CG2 4.36Å; L203-I311 HydrophobicContact CD2-CG2 3.78Å
204V84.4Confident88Confident42 Ų4240.1 Ų40.126%0.25521%0.21SC..EExtended strand (participates in β ladder)trans-111.4128172.1178.80000107.4M136 S137 A139 A206M136-V204 WeakPolarHBondContact CA-O 3.29Å; S137-V204 PolarHBondContact N-O 2.83Å; S137-V204 PolarHBondContact O-N 2.81Å; A139-V204 HydrophobicContact CB-CG2 3.74Å; V204-A206 PolarHBondContact O-N 3.41Å
205D88.3Confident88.3Confident0 Ų039.1 Ų39.10%021%0.205CC..EExtended strand (participates in β ladder)trans-74.3126.5172.5142.969.2000111.1M134 M136 H207 Y209 R229 R319M134-D205 HydrophobicContact CE-CB 3.97Å; M136-D205 HydrophobicContact CE-CB 3.89Å; M136-D205 HydrophobicContact CG-CB 4.47Å; D205-H207 PolarHBondContact O-N 3.18Å; D205-H207 PolarHBondContact OD1-N 3.39Å; D205-Y209 VanDerWaalsContact CG-OH 3.24Å; D205-Y209 PolarHBondContact OD1-OH 3.21Å; D205-Y209 PolarHBondContact OD2-OH 2.89Å; D205-R229 VanDerWaalsContact CB-NH1 3.25Å; D205-R229 VanDerWaalsContact OD2-CD 3.28Å; D205-R229 WeakPolarHBondContact OD2-CD 3.44Å; D205-R229 WeakPolarHBondContact OD2-CG 3.35Å; D205-R229 IonicContact OD2-CZ 3.87Å; D205-R229 IonicContact OD2-NE 2.65Å; D205-R229 IonicContact OD2-NH1 2.79Å; D205-R229 PolarHBondContact OD2-NH1 3.32Å; D205-R319 WeakPolarHBondContact O-CD 3.45Å; D205-R319 PolarHBondContact O-NH1 3.37Å; D205-R319 IonicContact OD2-NH1 3.71Å; D205-R319 PolarHBondContact OD2-NH1 2.91Å
206A86.8Confident88.5Confident0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-77.2-6.9-177.200000113.1L112 L135 V204 L208L112-A206 HydrophobicContact CD1-CB 3.89Å; L112-A206 VanDerWaalsContact CD1-O 3.3Å; L112-A206 WeakPolarHBondContact CD1-O 3.21Å; L135-A206 HydrophobicContact CB-CB 4.11Å; L135-A206 HydrophobicContact CD2-CB 3.96Å; L135-A206 HydrophobicContact CG-CB 3.96Å; L135-A206 WeakPolarHBondContact O-CB 3.46Å; L135-A206 PolarHBondContact O-N 2.71Å; L135-A206 VanDerWaalsContact O-N 3.11Å; V204-A206 PolarHBondContact O-N 3.41Å; A206-L208 PolarHBondContact O-N 3.11Å
207H89.5Confident88.6Confident12 Ų1228.6 Ų28.66%0.05615%0.154CC..EExtended strand (participates in β ladder)trans60.732.2-176.3-144.4-142.5000114.2S109 D205 Y209 R319S109-H207 WeakPolarHBondContact CB-ND1 3.49Å; D205-H207 PolarHBondContact O-N 3.18Å; D205-H207 PolarHBondContact OD1-N 3.39Å; H207-Y209 AromaticContact CD2-CE2 3.29Å; H207-Y209 WeakPolarHBondContact CD2-CE2 3.45Å; H207-Y209 AromaticContact CD2-CZ 3.83Å; H207-Y209 AromaticContact NE2-CE2 3.83Å; H207-R319 PolarHBondContact CD2-NH2 3.45Å; H207-R319 VanDerWaalsContact CD2-NH2 3.31Å; H207-R319 PolarHBondContact ND1-NH2 2.89Å
208L91.9Very high88.5Confident1 Ų126.3 Ų26.31%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-108116.7170.7-179.278.5000108.1L106 V107 V108 L112 L118 V121 M134 L135 A206L106-L208 HydrophobicContact CD1-CD1 3.99Å; L106-L208 HydrophobicContact CD1-CG 4.41Å; L106-L208 HydrophobicContact CG-CD1 4.43Å; V107-L208 WeakPolarHBondContact O-CA 3.5Å; V108-L208 HydrophobicContact CB-CD1 4.3Å; V108-L208 HydrophobicContact CG1-CD1 4.17Å; V108-L208 HydrophobicContact CG2-CD1 3.7Å; L112-L208 HydrophobicContact CD2-CB 4.17Å; L118-L208 HydrophobicContact CD2-CD1 3.76Å; L118-L208 HydrophobicContact CD2-CD2 3.25Å; L118-L208 HydrophobicContact CD2-CG 4.13Å; V121-L208 HydrophobicContact CG2-CD2 4.18Å; M134-L208 WeakPolarHBondContact CA-O 3.45Å; L135-L208 HydrophobicContact CB-CB 3.97Å; L135-L208 HydrophobicContact CB-CD2 3.86Å; L135-L208 HydrophobicContact CB-CG 4.45Å; L135-L208 HydrophobicContact CD2-CB 4.4Å; L135-L208 HydrophobicContact CD2-CD2 3.68Å; L135-L208 HydrophobicContact CG-CD2 4.39Å; L135-L208 PolarHBondContact N-O 3.2Å; A206-L208 PolarHBondContact O-N 3.11Å
209Y93.8Very high88.3Confident0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-129128.5-178.5-53.8-66.1000112L106 V107 L132 A133 M134 D205 H207 I228 V233L106-Y209 CarbonylContact C-O 3.34Å; L106-Y209 WeakPolarHBondContact CA-O 3.05Å; V107-Y209 PolarHBondContact N-O 3.16Å; V107-Y209 PolarHBondContact O-N 3.38Å; L132-Y209 HydrophobicContact CD1-CD1 4.09Å; L132-Y209 HydrophobicContact CD1-CG 4.45Å; A133-Y209 CarbonylContact O-C 3.58Å; A133-Y209 WeakPolarHBondContact O-CA 3.45Å; M134-Y209 HydrophobicContact CB-CD1 3.5Å; M134-Y209 HydrophobicContact CB-CE1 3.69Å; M134-Y209 HydrophobicContact CE-CE1 4Å; M134-Y209 HydrophobicContact SD-CE1 4.42Å; D205-Y209 VanDerWaalsContact CG-OH 3.24Å; D205-Y209 PolarHBondContact OD1-OH 3.21Å; D205-Y209 PolarHBondContact OD2-OH 2.89Å; H207-Y209 AromaticContact CD2-CE2 3.29Å; H207-Y209 WeakPolarHBondContact CD2-CE2 3.45Å; H207-Y209 AromaticContact CD2-CZ 3.83Å; H207-Y209 AromaticContact NE2-CE2 3.83Å; Y209-I228 HydrophobicContact CD2-CG2 3.65Å; Y209-I228 HydrophobicContact CE2-CB 4.3Å; Y209-I228 HydrophobicContact CE2-CG2 3.47Å; Y209-I228 VanDerWaalsContact CE2-CG2 3.47Å; Y209-I228 HydrophobicContact CG-CG2 4.31Å; Y209-V233 HydrophobicContact CE1-CG2 4.11Å
210C93.3Very high88.2Confident0 Ų020.4 Ų20.40%012%0.118CC..EExtended strand (participates in β ladder)trans-93.9121.2161-53.10000108.1I105 L106 F125 L132 A133I105-C210 WeakPolarHBondContact O-CA 3.3Å; L106-C210 WeakPolarHBondContact CD1-SG 3.48Å; F125-C210 HydrophobicContact CB-CB 4.13Å; F125-C210 HydrophobicContact CD1-CB 4.46Å; F125-C210 HydrophobicContact CD2-CB 3.57Å; F125-C210 HydrophobicContact CE2-CB 4.04Å; F125-C210 HydrophobicContact CG-CB 3.81Å; L132-C210 CarbonylContact C-O 3.25Å; L132-C210 WeakPolarHBondContact CA-O 3.47Å; A133-C210 HydrophobicContact CB-CB 4.12Å; A133-C210 PolarHBondContact N-O 3.17Å; A133-C210 PolarHBondContact O-N 2.64Å
211L92.4Very high88Confident1 Ų120.8 Ų20.81%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-124.2140.2-178.6-67.4150.9000109.7L94 I105 V107 L132 V215 L232L94-L211 HydrophobicContact CD1-CD1 4.46Å; I105-L211 HydrophobicContact CD1-CB 4.18Å; I105-L211 HydrophobicContact CD1-CD1 3.93Å; I105-L211 HydrophobicContact CG1-CB 3.7Å; I105-L211 HydrophobicContact CG1-CD1 4.22Å; I105-L211 PolarHBondContact N-O 3.04Å; I105-L211 PolarHBondContact O-N 2.8Å; V107-L211 HydrophobicContact CG2-CD1 3.84Å; L132-L211 HydrophobicContact CD1-CD2 3.45Å; L132-L211 VanDerWaalsContact CD1-CD2 3.45Å; L132-L211 HydrophobicContact CD1-CG 4Å; L211-V215 HydrophobicContact CD2-CB 4.21Å; L211-V215 HydrophobicContact CD2-CG1 3.83Å; L211-V215 HydrophobicContact CD2-CG2 4.42Å; L211-L232 HydrophobicContact CD2-CD2 4.37Å
212K89.8Confident88Confident22 Ų2218.2 Ų18.210%0.09610%0.103CC..  trans-67.3148.6166.4-77-169.6170.6-168.90111.6D104 F125 N129 A130 T131 A214 V215D104-K212 VanDerWaalsContact OD1-CA 3.29Å; D104-K212 WeakPolarHBondContact OD1-CA 3.34Å; F125-K212 HydrophobicContact CE2-CG 4.18Å; F125-K212 HydrophobicContact CZ-CG 3.77Å; N129-K212 WeakPolarHBondContact OD1-CE 3.14Å; N129-K212 PolarHBondContact OD1-NZ 3.45Å; A130-K212 VanDerWaalsContact O-CE 3.23Å; A130-K212 WeakPolarHBondContact O-CE 3.39Å; A130-K212 WeakPolarHBondContact O-CG 3.45Å; T131-K212 PolarHBondContact O-N 2.94Å; T131-K212 VanDerWaalsContact O-N 3.14Å; K212-A214 PolarHBondContact O-N 3.3Å; K212-V215 HydrophobicContact CB-CG2 4.37Å; K212-V215 WeakPolarHBondContact O-CB 3.4Å; K212-V215 PolarHBondContact O-N 2.87Å
213K88.7Confident88Confident50 Ų5024.9 Ų24.922%0.21712%0.122CC..Hα-helixtrans-55-36.1175.5-179.8157.8169.760.20113.4I101 K102 D104 V215 V216 D217I101-K213 HydrophobicContact CG2-CD 4.24Å; I101-K213 HydrophobicContact CG2-CG 4.4Å; I101-K213 WeakPolarHBondContact O-CE 3.34Å; I101-K213 PolarHBondContact O-NZ 3.38Å; K102-K213 WeakPolarHBondContact O-CD 3.41Å; D104-K213 PolarHBondContact OD1-N 2.71Å; K213-V215 PolarHBondContact O-N 2.84Å; K213-V215 VanDerWaalsContact O-N 3.14Å; K213-V216 WeakPolarHBondContact O-CA 3.48Å; K213-V216 WeakPolarHBondContact O-CB 3.14Å; K213-V216 PolarHBondContact O-N 3.19Å; K213-D217 IonicContact NZ-OD1 2.96Å; K213-D217 PolarHBondContact O-N 3.3Å; K213-D217 VanDerWaalsContact O-N 3.14Å
214A85.8Confident87.9Confident5 Ų529.1 Ų29.14%0.04115%0.153CC..Hα-helixtrans-58.3-27.8177.100000113.4K212 F218 I272K212-A214 PolarHBondContact O-N 3.3Å; A214-F218 WeakPolarHBondContact O-CB 3.47Å; A214-F218 PolarHBondContact O-N 2.78Å; A214-I272 HydrophobicContact CB-CG2 4.43Å; A214-I272 WeakPolarHBondContact CB-O 3.38Å
215V88Confident88Confident1 Ų127.6 Ų27.61%0.00614%0.143CC..Hα-helixtrans-71.4-34.8175.6-1730000111.1T131 L211 K212 K213 F218 L219 L232 L236T131-V215 HydrophobicContact CG2-CG2 3.47Å; T131-V215 VanDerWaalsContact CG2-CG2 3.47Å; L211-V215 HydrophobicContact CD2-CB 4.21Å; L211-V215 HydrophobicContact CD2-CG1 3.83Å; L211-V215 HydrophobicContact CD2-CG2 4.42Å; K212-V215 HydrophobicContact CB-CG2 4.37Å; K212-V215 WeakPolarHBondContact O-CB 3.4Å; K212-V215 PolarHBondContact O-N 2.87Å; K213-V215 PolarHBondContact O-N 2.84Å; K213-V215 VanDerWaalsContact O-N 3.14Å; V215-F218 WeakPolarHBondContact O-CB 3.46Å; V215-F218 PolarHBondContact O-N 3.17Å; V215-L219 WeakPolarHBondContact O-CG 3.45Å; V215-L219 PolarHBondContact O-N 2.9Å; V215-L232 HydrophobicContact CG1-CD1 4.21Å; V215-L232 HydrophobicContact CG1-CD2 4.05Å; V215-L236 HydrophobicContact CG1-CD1 4.18Å
216V87.6Confident87.9Confident1 Ų129.7 Ų29.71%0.00616%0.158CC..Hα-helixtrans-67.8-43.1175.5-1750000110.4Q98 I101 I105 K213 F218 L219 T220Q98-V216 HydrophobicContact CG-CG1 4.31Å; I101-V216 HydrophobicContact CD1-CG1 3.73Å; I101-V216 HydrophobicContact CD1-CG2 4.25Å; I105-V216 HydrophobicContact CD1-CG2 3.42Å; I105-V216 VanDerWaalsContact CD1-CG2 3.42Å; I105-V216 HydrophobicContact CG1-CG2 4.1Å; K213-V216 WeakPolarHBondContact O-CA 3.48Å; K213-V216 WeakPolarHBondContact O-CB 3.14Å; K213-V216 PolarHBondContact O-N 3.19Å; V216-F218 VanDerWaalsContact C-N 3.27Å; V216-F218 PolarHBondContact O-N 3.37Å; V216-L219 WeakPolarHBondContact O-CB 3.32Å; V216-L219 PolarHBondContact O-N 2.9Å; V216-L219 VanDerWaalsContact O-N 3.07Å; V216-T220 PolarHBondContact O-N 3.27Å; V216-T220 VanDerWaalsContact O-N 3.14Å
217D87.7Confident87.9Confident44 Ų4431.5 Ų31.524%0.23517%0.171CC..Hα-helixtrans-62.6-38.5177-63.9-35000110.9Q98 K213 L219 T220 E221 L271Q98-D217 PolarHBondContact NE2-OD1 3.19Å; Q98-D217 VanDerWaalsContact NE2-OD1 3.07Å; K213-D217 IonicContact NZ-OD1 2.96Å; K213-D217 PolarHBondContact O-N 3.3Å; K213-D217 VanDerWaalsContact O-N 3.14Å; D217-L219 PolarHBondContact O-N 2.96Å; D217-T220 WeakPolarHBondContact O-CB 3.48Å; D217-T220 PolarHBondContact O-N 3.11Å; D217-E221 PolarHBondContact O-N 3.05Å; D217-L271 HydrophobicContact CB-CD2 4.13Å
218F86.6Confident87.9Confident2 Ų231 Ų311%0.00917%0.168CC..Hα-helixtrans-62.4-36.4171.5171.9-93.6000113.9A214 V215 V216 T220 E221 N222 I225 L232 Y235 I272A214-F218 WeakPolarHBondContact O-CB 3.47Å; A214-F218 PolarHBondContact O-N 2.78Å; V215-F218 WeakPolarHBondContact O-CB 3.46Å; V215-F218 PolarHBondContact O-N 3.17Å; V216-F218 VanDerWaalsContact C-N 3.27Å; V216-F218 PolarHBondContact O-N 3.37Å; F218-T220 VanDerWaalsContact C-N 3.31Å; F218-E221 PolarHBondContact O-N 3.49Å; F218-N222 WeakPolarHBondContact CD2-ND2 3.42Å; F218-N222 WeakPolarHBondContact CE2-ND2 3.47Å; F218-N222 HydrophobicContact CZ-CB 4.39Å; F218-N222 WeakPolarHBondContact CZ-ND2 3.2Å; F218-N222 PolarHBondContact O-N 3.35Å; F218-N222 VanDerWaalsContact O-N 3.11Å; F218-N222 PolarHBondContact O-ND2 3.19Å; F218-I225 HydrophobicContact CE1-CD1 3.76Å; F218-I225 HydrophobicContact CZ-CD1 4.44Å; F218-L232 HydrophobicContact CD1-CD1 4.48Å; F218-L232 HydrophobicContact CE1-CD1 4.37Å; F218-Y235 HydrophobicContact CE1-CD1 4.15Å; F218-Y235 AromaticContact CE1-CE1 3.76Å; F218-Y235 HydrophobicContact CE1-CE1 3.76Å; F218-Y235 HydrophobicContact CE2-CE1 4.11Å; F218-Y235 HydrophobicContact CZ-CD1 4.09Å; F218-Y235 AromaticContact CZ-CE1 3.26Å; F218-Y235 HydrophobicContact CZ-CE1 3.26Å; F218-Y235 AromaticContact CZ-CZ 3.62Å; F218-I272 HydrophobicContact CB-CD1 4.32Å; F218-I272 HydrophobicContact CB-CG1 3.85Å; F218-I272 HydrophobicContact CD1-CD1 4.47Å; F218-I272 HydrophobicContact CD2-CD1 3.59Å; F218-I272 HydrophobicContact CD2-CG1 3.73Å; F218-I272 HydrophobicContact CE2-CD1 3.98Å; F218-I272 HydrophobicContact CG-CD1 3.86Å; F218-I272 HydrophobicContact CG-CG1 3.92Å
219L87.4Confident87.7Confident1 Ų133.5 Ų33.51%0.00518%0.177CC..Hα-helixtrans-65.4-35.7175.4-75.5174.7000111.7A91 L94 R95 V215 V216 D217 E221 N222 I225 L232A91-L219 HydrophobicContact CB-CD2 4.14Å; L94-L219 HydrophobicContact CB-CD1 4.28Å; L94-L219 HydrophobicContact CD1-CD1 3.92Å; R95-L219 HydrophobicContact CG-CB 4.44Å; R95-L219 PolarHBondContact NE-O 3.04Å; R95-L219 PolarHBondContact NH2-O 3.4Å; V215-L219 WeakPolarHBondContact O-CG 3.45Å; V215-L219 PolarHBondContact O-N 2.9Å; V216-L219 WeakPolarHBondContact O-CB 3.32Å; V216-L219 PolarHBondContact O-N 2.9Å; V216-L219 VanDerWaalsContact O-N 3.07Å; D217-L219 PolarHBondContact O-N 2.96Å; L219-E221 VanDerWaalsContact C-N 3.33Å; L219-N222 CarbonylContact O-C 3.57Å; L219-N222 PolarHBondContact O-N 2.9Å; L219-N222 VanDerWaalsContact O-O 3.12Å; L219-I225 HydrophobicContact CD2-CB 4.2Å; L219-I225 HydrophobicContact CD2-CD1 4.2Å; L219-I225 HydrophobicContact CD2-CG2 3.97Å; L219-L232 HydrophobicContact CD1-CD2 4.09Å; L219-L232 HydrophobicContact CD2-CD1 3.86Å; L219-L232 HydrophobicContact CD2-CD2 4.14Å; L219-L232 HydrophobicContact CD2-CG 4.49Å; L219-L232 HydrophobicContact CG-CD1 4.49Å; L219-L232 HydrophobicContact CG-CD2 4.39Å
220T86.2Confident87.1Confident49 Ų4935.2 Ų35.230%0.30120%0.195SC..Hα-helixtrans-64.3-39.2176.3-63.70000111.9Q98 V216 D217 F218Q98-T220 PolarHBondContact NE2-OG1 2.84Å; Q98-T220 PolarHBondContact OE1-OG1 2.92Å; V216-T220 PolarHBondContact O-N 3.27Å; V216-T220 VanDerWaalsContact O-N 3.14Å; D217-T220 WeakPolarHBondContact O-CB 3.48Å; D217-T220 PolarHBondContact O-N 3.11Å; F218-T220 VanDerWaalsContact C-N 3.31Å
221E85.9Confident86.8Confident75 Ų7539 Ų3935%0.3521%0.213SC..Hα-helixtrans-70.3-39178.1-63.3-167.3162.300112.6D217 F218 L219 H268 L271D217-E221 PolarHBondContact O-N 3.05Å; F218-E221 PolarHBondContact O-N 3.49Å; L219-E221 VanDerWaalsContact C-N 3.33Å; E221-H268 IonicContact OE2-CE1 3.99Å; E221-H268 IonicContact OE2-ND1 3.16Å; E221-H268 PolarHBondContact OE2-ND1 2.91Å; E221-H268 VanDerWaalsContact OE2-ND1 3.16Å; E221-L271 HydrophobicContact CG-CD2 4.35Å; E221-L271 WeakPolarHBondContact OE1-CD1 3.36Å; E221-L271 WeakPolarHBondContact OE1-CD2 3.45Å
222N84.8Confident86.7Confident30 Ų3038.9 Ų38.916%0.1621%0.212CC..  trans-102.794.4-174.3-65.6-73.8000111.1R95 F218 L219 S224 I225R95-N222 PolarHBondContact NH2-O 2.6Å; F218-N222 WeakPolarHBondContact CD2-ND2 3.42Å; F218-N222 WeakPolarHBondContact CE2-ND2 3.47Å; F218-N222 HydrophobicContact CZ-CB 4.39Å; F218-N222 WeakPolarHBondContact CZ-ND2 3.2Å; F218-N222 PolarHBondContact O-N 3.35Å; F218-N222 VanDerWaalsContact O-N 3.11Å; F218-N222 PolarHBondContact O-ND2 3.19Å; L219-N222 CarbonylContact O-C 3.57Å; L219-N222 PolarHBondContact O-N 2.9Å; L219-N222 VanDerWaalsContact O-O 3.12Å; N222-S224 PolarHBondContact O-N 3.13Å; N222-I225 HydrophobicContact CB-CD1 4.43Å
223K81.9Confident86.6Confident176 Ų17637.9 Ų37.977%0.76521%0.208SC*.THydrogen-bonded Turntrans-73.3-7.8179.3-63-175.9-179.1-178.10114.9I225K223-I225 VanDerWaalsContact C-N 3.28Å; K223-I225 PolarHBondContact O-N 2.86Å
224S85.8Confident86.6Confident99 Ų9936 Ų3669%0.69220%0.201SC*.THydrogen-bonded Turntrans-73.4-19.4-178.652.90000113.9N222N222-S224 PolarHBondContact O-N 3.13Å
225I86.9Confident86.6Confident10 Ų1039.2 Ų39.25%0.05121%0.213CC..  trans-88.4112.8-174.3-59.5171.8000109.8A91 R95 F218 L219 N222 K223 E231 L232A91-I225 HydrophobicContact CB-CG2 4.04Å; A91-I225 WeakPolarHBondContact CB-O 3.3Å; R95-I225 PolarHBondContact NH1-O 3.24Å; R95-I225 PolarHBondContact NH2-O 3.26Å; F218-I225 HydrophobicContact CE1-CD1 3.76Å; F218-I225 HydrophobicContact CZ-CD1 4.44Å; L219-I225 HydrophobicContact CD2-CB 4.2Å; L219-I225 HydrophobicContact CD2-CD1 4.2Å; L219-I225 HydrophobicContact CD2-CG2 3.97Å; N222-I225 HydrophobicContact CB-CD1 4.43Å; K223-I225 VanDerWaalsContact C-N 3.28Å; K223-I225 PolarHBondContact O-N 2.86Å; I225-E231 WeakPolarHBondContact CA-OE2 3.34Å; I225-E231 HydrophobicContact CG2-CB 4.01Å; I225-L232 HydrophobicContact CD1-CD1 4.19Å; I225-L232 HydrophobicContact CG2-CB 4.09Å
226S85.8Confident86.5Confident44 Ų4439.2 Ų39.231%0.30821%0.212SC..  trans-94.1-40.9176.965.50000112G89 T90 A91 E231G89-S226 CarbonylContact C-O 3.54Å; G89-S226 VanDerWaalsContact C-O 3.25Å; G89-S226 WeakPolarHBondContact CA-O 3.37Å; T90-S226 PolarHBondContact N-O 3.39Å; A91-S226 VanDerWaalsContact CB-O 3.26Å; A91-S226 WeakPolarHBondContact CB-O 3.28Å; A91-S226 PolarHBondContact N-O 3.04Å; S226-E231 PolarHBondContact N-OE2 3.01Å; S226-E231 PolarHBondContact OG-OE1 3.12Å; S226-E231 PolarHBondContact OG-OE2 3.28Å
227S87.1Confident86.5Confident39 Ų3939.4 Ų39.427%0.27321%0.213SC..  trans-114.2127.7-171.4-175.90000112.6G230 E231 L232S227-G230 PolarHBondContact OG-N 2.89Å; S227-E231 PolarHBondContact N-OE2 3.3Å; S227-E231 WeakPolarHBondContact O-CB 3.29Å; S227-E231 PolarHBondContact O-N 2.91Å; S227-L232 PolarHBondContact O-N 3.18Å; S227-L232 VanDerWaalsContact O-N 3.16Å
228I88.5Confident86.3Confident0 Ų043.6 Ų43.60%023%0.226CC..Iπ-helixtrans-62-52.5175.1-64.5169.7000109.6T90 A91 L94 V107 Y209 L232 V233T90-I228 PolarHBondContact OG1-N 2.91Å; A91-I228 HydrophobicContact CB-CG1 4.27Å; L94-I228 HydrophobicContact CD1-CD1 3.45Å; L94-I228 VanDerWaalsContact CD1-CD1 3.45Å; L94-I228 HydrophobicContact CD1-CG1 4.19Å; L94-I228 HydrophobicContact CG-CD1 4.23Å; V107-I228 HydrophobicContact CG1-CD1 4.35Å; Y209-I228 HydrophobicContact CD2-CG2 3.65Å; Y209-I228 HydrophobicContact CE2-CB 4.3Å; Y209-I228 HydrophobicContact CE2-CG2 3.47Å; Y209-I228 VanDerWaalsContact CE2-CG2 3.47Å; Y209-I228 HydrophobicContact CG-CG2 4.31Å; I228-L232 HydrophobicContact CG1-CD2 4.47Å; I228-L232 HydrophobicContact CG2-CD2 4.19Å; I228-L232 WeakPolarHBondContact O-CB 3.22Å; I228-L232 PolarHBondContact O-N 2.85Å; I228-V233 HydrophobicContact CG2-CG2 4.44Å; I228-V233 WeakPolarHBondContact O-CG2 3.15Å; I228-V233 PolarHBondContact O-N 2.9Å
229R87.1Confident86Confident54 Ų5446.5 Ų46.520%0.20424%0.239CC..Iπ-helixtrans-64.5-49-178.2178.8-167.7165.9115.8-6.5112.2D160 M174 D205 P234D160-R229 IonicContact OD1-CZ 3.4Å; D160-R229 IonicContact OD1-NH2 4Å; D160-R229 PolarHBondContact OD1-NH2 2.78Å; D160-R229 IonicContact OD2-CZ 2.89Å; D160-R229 IonicContact OD2-NH1 2.94Å; D160-R229 IonicContact OD2-NH2 3.66Å; D160-R229 PolarHBondContact OD2-NH2 2.59Å; M174-R229 HydrophobicContact CE-CG 4.4Å; D205-R229 VanDerWaalsContact CB-NH1 3.25Å; D205-R229 VanDerWaalsContact OD2-CD 3.28Å; D205-R229 WeakPolarHBondContact OD2-CD 3.44Å; D205-R229 WeakPolarHBondContact OD2-CG 3.35Å; D205-R229 IonicContact OD2-CZ 3.87Å; D205-R229 IonicContact OD2-NE 2.65Å; D205-R229 IonicContact OD2-NH1 2.79Å; D205-R229 PolarHBondContact OD2-NH1 3.32Å; R229-P234 WeakPolarHBondContact O-CD 3.28Å
230G82.6Confident85.5Confident36 Ų3647 Ų4737%0.37124%0.241SC..Iπ-helixtrans-77-35.6-170.400000113.7S227 P234S227-G230 PolarHBondContact OG-N 2.89Å; G230-P234 WeakPolarHBondContact O-CG 3.19Å
231E86.9Confident85Confident79 Ų7945 Ų4537%0.36923%0.228SC..Iπ-helixtrans-120.8-48.5-168.2-66.1168.6-179.800111.9I225 S226 S227 Y235I225-E231 WeakPolarHBondContact CA-OE2 3.34Å; I225-E231 HydrophobicContact CG2-CB 4.01Å; S226-E231 PolarHBondContact N-OE2 3.01Å; S226-E231 PolarHBondContact OG-OE1 3.12Å; S226-E231 PolarHBondContact OG-OE2 3.28Å; S227-E231 PolarHBondContact N-OE2 3.3Å; S227-E231 WeakPolarHBondContact O-CB 3.29Å; S227-E231 PolarHBondContact O-N 2.91Å; E231-Y235 WeakPolarHBondContact O-CB 3.26Å; E231-Y235 PolarHBondContact O-N 3.06Å
232L88.8Confident84.3Confident0 Ų043.9 Ų43.90%023%0.229CC..Iπ-helixtrans-65.3-49.9-176-175.363.8000112.3L211 V215 F218 L219 I225 S227 I228 Y235 L236L211-L232 HydrophobicContact CD2-CD2 4.37Å; V215-L232 HydrophobicContact CG1-CD1 4.21Å; V215-L232 HydrophobicContact CG1-CD2 4.05Å; F218-L232 HydrophobicContact CD1-CD1 4.48Å; F218-L232 HydrophobicContact CE1-CD1 4.37Å; L219-L232 HydrophobicContact CD1-CD2 4.09Å; L219-L232 HydrophobicContact CD2-CD1 3.86Å; L219-L232 HydrophobicContact CD2-CD2 4.14Å; L219-L232 HydrophobicContact CD2-CG 4.49Å; L219-L232 HydrophobicContact CG-CD1 4.49Å; L219-L232 HydrophobicContact CG-CD2 4.39Å; I225-L232 HydrophobicContact CD1-CD1 4.19Å; I225-L232 HydrophobicContact CG2-CB 4.09Å; S227-L232 PolarHBondContact O-N 3.18Å; S227-L232 VanDerWaalsContact O-N 3.16Å; I228-L232 HydrophobicContact CG1-CD2 4.47Å; I228-L232 HydrophobicContact CG2-CD2 4.19Å; I228-L232 WeakPolarHBondContact O-CB 3.22Å; I228-L232 PolarHBondContact O-N 2.85Å; L232-Y235 WeakPolarHBondContact O-CB 3.35Å; L232-Y235 PolarHBondContact O-N 3.2Å; L232-L236 HydrophobicContact CD1-CD1 4.14Å; L232-L236 HydrophobicContact CD1-CG 4.17Å; L232-L236 HydrophobicContact CG-CD1 3.98Å; L232-L236 HydrophobicContact CG-CG 4.38Å; L232-L236 WeakPolarHBondContact O-CG 3.32Å; L232-L236 PolarHBondContact O-N 2.84Å
233V89.3Confident83.1Confident1 Ų151.7 Ų51.71%0.00626%0.261CS..Hα-helixtrans-62.2-51.6-177.9176.30000111L132 M134 L171 M174 Y209 I228 Y235 L236 V237L132-V233 HydrophobicContact CD2-CB 4.32Å; L132-V233 HydrophobicContact CD2-CG1 3.99Å; L132-V233 HydrophobicContact CD2-CG2 3.82Å; M134-V233 HydrophobicContact SD-CG1 4.01Å; L171-V233 HydrophobicContact CD2-CG1 3.98Å; M174-V233 HydrophobicContact SD-CB 4.34Å; M174-V233 HydrophobicContact SD-CG1 3.61Å; Y209-V233 HydrophobicContact CE1-CG2 4.11Å; I228-V233 HydrophobicContact CG2-CG2 4.44Å; I228-V233 WeakPolarHBondContact O-CG2 3.15Å; I228-V233 PolarHBondContact O-N 2.9Å; V233-Y235 VanDerWaalsContact C-N 3.28Å; V233-Y235 PolarHBondContact O-N 3.32Å; V233-L236 PolarHBondContact O-N 3.25Å; V233-V237 HydrophobicContact CG1-CG2 4.4Å; V233-V237 VanDerWaalsContact O-CG2 3.28Å; V233-V237 WeakPolarHBondContact O-CG2 3.3Å; V233-V237 PolarHBondContact O-N 3.08Å
234P87.6Confident81.4Confident10 Ų1046.8 Ų46.87%0.06525%0.246CC..Hα-helixtrans-61.7-34.3175.7-26.738.5000113.2R229 G230 R238R229-P234 WeakPolarHBondContact O-CD 3.28Å; G230-P234 WeakPolarHBondContact O-CG 3.19Å; P234-R238 WeakPolarHBondContact O-CB 3.43Å; P234-R238 WeakPolarHBondContact O-CG 3.27Å; P234-R238 PolarHBondContact O-N 3.24Å
235Y86.9Confident79Confident73 Ų7346.3 Ų46.329%0.28625%0.248SC..Hα-helixtrans-62.5-49.6175.4178.3-90.1000112F218 E231 L232 V233 V237 R238 K239F218-Y235 HydrophobicContact CE1-CD1 4.15Å; F218-Y235 AromaticContact CE1-CE1 3.76Å; F218-Y235 HydrophobicContact CE1-CE1 3.76Å; F218-Y235 HydrophobicContact CE2-CE1 4.11Å; F218-Y235 HydrophobicContact CZ-CD1 4.09Å; F218-Y235 AromaticContact CZ-CE1 3.26Å; F218-Y235 HydrophobicContact CZ-CE1 3.26Å; F218-Y235 AromaticContact CZ-CZ 3.62Å; E231-Y235 WeakPolarHBondContact O-CB 3.26Å; E231-Y235 PolarHBondContact O-N 3.06Å; L232-Y235 WeakPolarHBondContact O-CB 3.35Å; L232-Y235 PolarHBondContact O-N 3.2Å; V233-Y235 VanDerWaalsContact C-N 3.28Å; V233-Y235 PolarHBondContact O-N 3.32Å; Y235-V237 VanDerWaalsContact C-N 3.35Å; Y235-V237 PolarHBondContact O-N 3Å; Y235-R238 PolarHBondContact O-N 3.09Å; Y235-K239 HydrophobicContact CD1-CG 4.4Å; Y235-K239 HydrophobicContact CE1-CG 3.92Å; Y235-K239 HydrophobicContact CE2-CG 4.38Å; Y235-K239 PolarHBondContact O-N 2.95Å; Y235-K239 WeakPolarHBondContact OH-CE 3.47Å
236L85.9Confident76.5Confident0 Ų051.8 Ų51.80%028%0.278CS..Hα-helixtrans-62.4-42179-70174.3000111.6L132 V215 L232 V233 K239 Q240L132-L236 HydrophobicContact CB-CD1 4.37Å; L132-L236 HydrophobicContact CD2-CD1 4.27Å; V215-L236 HydrophobicContact CG1-CD1 4.18Å; L232-L236 HydrophobicContact CD1-CD1 4.14Å; L232-L236 HydrophobicContact CD1-CG 4.17Å; L232-L236 HydrophobicContact CG-CD1 3.98Å; L232-L236 HydrophobicContact CG-CG 4.38Å; L232-L236 WeakPolarHBondContact O-CG 3.32Å; L232-L236 PolarHBondContact O-N 2.84Å; V233-L236 PolarHBondContact O-N 3.25Å; L236-K239 PolarHBondContact O-N 3.27Å; L236-Q240 PolarHBondContact O-N 3.29Å
237V86.6Confident74Confident5 Ų554.7 Ų54.73%0.0330%0.298CS..Hα-helixtrans-64.6-41.6176.8175.10000111.3L171 L172 V233 Y235 K239 Q240 F241 C307L171-V237 HydrophobicContact CD2-CG2 3.51Å; L171-V237 HydrophobicContact CG-CG2 3.86Å; L172-V237 VanDerWaalsContact C-CG1 3.45Å; L172-V237 WeakPolarHBondContact O-CG1 3.39Å; V233-V237 HydrophobicContact CG1-CG2 4.4Å; V233-V237 VanDerWaalsContact O-CG2 3.28Å; V233-V237 WeakPolarHBondContact O-CG2 3.3Å; V233-V237 PolarHBondContact O-N 3.08Å; Y235-V237 VanDerWaalsContact C-N 3.35Å; Y235-V237 PolarHBondContact O-N 3Å; V237-K239 PolarHBondContact O-N 3.45Å; V237-Q240 WeakPolarHBondContact O-CB 3.38Å; V237-Q240 PolarHBondContact O-N 3Å; V237-F241 WeakPolarHBondContact O-CD2 3.3Å; V237-C307 HydrophobicContact CG2-CB 4.12Å
238R83.1Confident71.4Confident132 Ų13260.5 Ų60.550%0.49832%0.32SS..Hα-helixtrans-64.3-40.4175.7-74170.2-170.7135.5-1111.9P234 Y235P234-R238 WeakPolarHBondContact O-CB 3.43Å; P234-R238 WeakPolarHBondContact O-CG 3.27Å; P234-R238 PolarHBondContact O-N 3.24Å; Y235-R238 PolarHBondContact O-N 3.09Å
239K81.6Confident68.6Low64 Ų6468.6 Ų68.628%0.27836%0.356SS..Hα-helixtrans-72.9-27.4179.7-78.4-70.6-165.2171.50113Y235 L236 V237 F241 S242 E269 L305Y235-K239 HydrophobicContact CD1-CG 4.4Å; Y235-K239 HydrophobicContact CE1-CG 3.92Å; Y235-K239 HydrophobicContact CE2-CG 4.38Å; Y235-K239 PolarHBondContact O-N 2.95Å; Y235-K239 WeakPolarHBondContact OH-CE 3.47Å; L236-K239 PolarHBondContact O-N 3.27Å; V237-K239 PolarHBondContact O-N 3.45Å; K239-F241 PolarHBondContact O-N 2.72Å; K239-F241 VanDerWaalsContact O-N 3.11Å; K239-S242 PolarHBondContact O-N 3.26Å; K239-S242 VanDerWaalsContact O-N 3.15Å; K239-E269 IonicContact NZ-OE1 2.58Å; K239-E269 PolarHBondContact NZ-OE1 3.14Å; K239-L305 HydrophobicContact CB-CD1 3.66Å
240Q76.9Confident66Low10 Ų1071 Ų715%0.04738%0.377CS..Hα-helixtrans-53.7-31.7174.6176.7170.424.500113.8R170 L171 L236 V237 L305R170-Q240 VanDerWaalsContact NE-NE2 3.11Å; L171-Q240 PolarHBondContact O-OE1 3.31Å; L236-Q240 PolarHBondContact O-N 3.29Å; V237-Q240 WeakPolarHBondContact O-CB 3.38Å; V237-Q240 PolarHBondContact O-N 3Å; Q240-L305 HydrophobicContact CB-CB 4.45Å; Q240-L305 WeakPolarHBondContact CG-O 3.44Å; Q240-L305 PolarHBondContact NE2-O 3.24Å
241F75.1Confident63.3Low8 Ų878.8 Ų78.84%0.03540%0.4CS..THydrogen-bonded Turntrans-110.52.7-177.7-53.9-74.8000114L172 I190 K193 H194 V237 K239L172-F241 HydrophobicContact CD2-CE1 4.17Å; L172-F241 HydrophobicContact CD2-CE2 4.29Å; L172-F241 HydrophobicContact CD2-CZ 3.46Å; L172-F241 VanDerWaalsContact CD2-CZ 3.46Å; I190-F241 HydrophobicContact CD1-CD2 4.09Å; I190-F241 HydrophobicContact CG1-CB 3.91Å; I190-F241 HydrophobicContact CG1-CD2 3.77Å; I190-F241 HydrophobicContact CG1-CE2 4.49Å; I190-F241 HydrophobicContact CG1-CG 3.81Å; I190-F241 HydrophobicContact CG2-CD2 4.47Å; I190-F241 HydrophobicContact CG2-CE2 4.43Å; K193-F241 HydrophobicContact CD-CD1 4.06Å; H194-F241 AromaticContact CD2-CE1 3.81Å; V237-F241 WeakPolarHBondContact O-CD2 3.3Å; K239-F241 PolarHBondContact O-N 2.72Å; K239-F241 VanDerWaalsContact O-N 3.11Å
242S70.7Confident60.5Low52 Ų5283.4 Ų83.436%0.36442%0.422SS..SBendtrans-72.2136.5170.4-164.90000108.9K239 T244K239-S242 PolarHBondContact O-N 3.26Å; K239-S242 VanDerWaalsContact O-N 3.15Å; S242-T244 PolarHBondContact O-N 3.17Å
243K59.2Low57.5Low194 Ų19489.7 Ų89.784%0.84346%0.455SS*.PPolyproline II helixtrans-68.7118.4166.5-66.1-175178-173.20106.4A245K243-A245 PolarHBondContact O-N 2.89Å
244T47.8Very low54.6Low72 Ų7296.6 Ų96.644%0.44249%0.491SS..PPolyproline II helixtrans-55.6129.1160.726.10000107.4S242 N246S242-T244 PolarHBondContact O-N 3.17Å; T244-N246 PolarHBondContact O-N 3.28Å
245A35.6Very low51.8Low89 Ų89105 Ų10574%0.73653%0.53SS*.PPolyproline II helixtrans-57123.516700000107.5K243 S247K243-A245 PolarHBondContact O-N 2.89Å; A245-S247 PolarHBondContact O-N 3.42Å
246N32.9Very low48.9Very low126 Ų126107.9 Ų107.967%0.67455%0.55SS**PPolyproline II helixtrans-58.9125.7-174.1-105.75.4000111.3T244 Q248T244-N246 PolarHBondContact O-N 3.28Å; N246-Q248 PolarHBondContact O-N 2.78Å
247S34.8Very low46.1Very low105 Ų105116 Ų11673%0.73459%0.588SS**THydrogen-bonded Turntrans-76.151.1168.6-162.10000111.4A245A245-S247 PolarHBondContact O-N 3.42Å
248Q30.7Very low43.3Very low160 Ų160122.1 Ų122.175%0.74863%0.626SS**THydrogen-bonded Turntrans-121.2-3.8177.5-86.5-176.3-25.500114.1N246N246-Q248 PolarHBondContact O-N 2.78Å
249K29.6Very low40.7Very low170 Ų170124.4 Ų124.474%0.73964%0.642SS**SBendtrans-92.6-9.8173.6-80.5-171169.8-168.10115.1K251K249-K251 VanDerWaalsContact C-N 3.29Å; K249-K251 PolarHBondContact O-N 2.82Å
250V33Very low38Very low106 Ų106131.6 Ų131.664%0.64267%0.673SS**THydrogen-bonded Turntrans-82.5-1.5-172.1-174.30000113.5
251K27.5Very low35.4Very low198 Ų198140.3 Ų140.386%0.86171%0.711SS**THydrogen-bonded Turntrans-94.3-12.5176.5-86.9-173.1175.6-177.50115.1K249K249-K251 VanDerWaalsContact C-N 3.29Å; K249-K251 PolarHBondContact O-N 2.82Å
252E26.2Very low33.1Very low177 Ų177146.7 Ų146.783%0.82775%0.745SS**THydrogen-bonded Turntrans-102.2-17.2179.4-74.7-179.1161.700113.6L254E252-L254 PolarHBondContact O-N 3.41Å
253D26.7Very low30.8Very low132 Ų132151.6 Ų151.671%0.70677%0.768SS**  trans-98.627-174.8-64.8-27.6000114.2
254L29Very low29.1Very low146 Ų146147.4 Ų147.476%0.76476%0.761SS**SBendtrans-91.94-178-100.8156.1000115E252E252-L254 PolarHBondContact O-N 3.41Å
255E28Very low28.2Very low186 Ų186148.4 Ų148.487%0.86977%0.771SS**SBendtrans-111.6-5.1-179.7-72.7-166.9161.800116.1
256D26.1Very low27.9Very low134 Ų134149.4 Ų149.472%0.71777%0.768SS**SBendtrans-124.7108.7-178.2-90.8-45.5000115
257Q28.3Very low27.7Very low169 Ų169148.3 Ų148.379%0.7976%0.763SS**  trans87.796.8142.8-59.8175.834.200118.8
258T27.7Very low27.8Very low135 Ų135146.5 Ų146.583%0.82874%0.743SS**  trans-30.3132.3140140000114.9
259Q27.7Very low28.2Very low179 Ų179143.1 Ų143.184%0.83673%0.727SS**  trans78.195.3159-59.9-178.5-5.300119.2
260K24Very low28.5Very low216 Ų216140.6 Ų140.694%0.93972%0.721SS**  -170.3143116.4-101.4164.9-174.3176.40111.6
261K24.1Very low28.7Very low192 Ų192139 Ų13984%0.83571%0.708SS**  trans-74.3156-171.6-88.2175.3170.9176.10114.1
262N25.3Very low29.4Very low142 Ų142130.9 Ų130.976%0.75967%0.674SS**  trans82.896.2153.7-66.3-2.2000118.6
263D22.2Very low30.1Very low156 Ų156125.4 Ų125.483%0.83466%0.655SS**  -165.5108.5121.5-93.3-22.1000109.8
264C25.1Very low30.8Very low105 Ų105121.2 Ų121.271%0.70964%0.636SS**  trans-104.186.6-177.9-171.40000109.3
265S28.4Very low31.4Very low93 Ų93126.2 Ų126.265%0.6565%0.645SS**  trans-139.3-5.117659.70000114.2
266T29.2Very low32.3Very low110 Ų110120.8 Ų120.868%0.67562%0.622SS**SBendtrans-98.6-8.3-175.735.50000114.7
267N28.8Very low33.5Very low103 Ų103120 Ų12055%0.55161%0.614SS**G310 helixtrans-81.1-13.5-177.6-71.5-25.8000114.5E269N267-E269 VanDerWaalsContact C-N 3.34Å; N267-E269 PolarHBondContact O-N 2.84Å
268H36.8Very low34.9Very low68 Ų68116.5 Ų116.532%0.31561%0.606SS.*G310 helixtrans-75.8-14.2-174-67.6-62.8000115.1E221E221-H268 IonicContact OE2-CE1 3.99Å; E221-H268 IonicContact OE2-ND1 3.16Å; E221-H268 PolarHBondContact OE2-ND1 2.91Å; E221-H268 VanDerWaalsContact OE2-ND1 3.16Å
269E37.7Very low36.1Very low89 Ų89115.8 Ų115.842%0.41660%0.596SS.*G310 helixtrans-82-18.6-179.2-62.9-164.5153.400113.4K239 N267K239-E269 IonicContact NZ-OE1 2.58Å; K239-E269 PolarHBondContact NZ-OE1 3.14Å; N267-E269 VanDerWaalsContact C-N 3.34Å; N267-E269 PolarHBondContact O-N 2.84Å
270L36.5Very low37.6Very low117 Ų117111.8 Ų111.861%0.61358%0.58SS**SBendtrans-86-9.2-176.6-81.7160000113.9S273L270-S273 PolarHBondContact O-OG 3.35Å
271L37.8Very low39.3Very low72 Ų72107 Ų10738%0.37756%0.561SS.*SBendtrans-92.5-22.4-174.7-130.9103.4000114.4D217 E221 S273D217-L271 HydrophobicContact CB-CD2 4.13Å; E221-L271 HydrophobicContact CG-CD2 4.35Å; E221-L271 WeakPolarHBondContact OE1-CD1 3.36Å; E221-L271 WeakPolarHBondContact OE1-CD2 3.45Å; L271-S273 VanDerWaalsContact C-N 3.26Å
272I41.9Very low40.9Very low27 Ų27102.4 Ų102.414%0.13855%0.545CS..SBendtrans-77.3-17.5175.3-50.3172000111.2T131 A214 F218 S274 L305T131-I272 HydrophobicContact CG2-CG2 4.4Å; A214-I272 HydrophobicContact CB-CG2 4.43Å; A214-I272 WeakPolarHBondContact CB-O 3.38Å; F218-I272 HydrophobicContact CB-CD1 4.32Å; F218-I272 HydrophobicContact CB-CG1 3.85Å; F218-I272 HydrophobicContact CD1-CD1 4.47Å; F218-I272 HydrophobicContact CD2-CD1 3.59Å; F218-I272 HydrophobicContact CD2-CG1 3.73Å; F218-I272 HydrophobicContact CE2-CD1 3.98Å; F218-I272 HydrophobicContact CG-CD1 3.86Å; F218-I272 HydrophobicContact CG-CG1 3.92Å; I272-S274 VanDerWaalsContact C-N 3.31Å; I272-S274 PolarHBondContact O-N 3.05Å; I272-L305 HydrophobicContact CB-CD2 4.31Å; I272-L305 HydrophobicContact CD1-CD2 4.38Å; I272-L305 HydrophobicContact CG2-CD2 3.5Å
273S40.6Very low42.5Very low62 Ų6297.9 Ų97.943%0.43453%0.528SS..SBendtrans-7295.2156.1410000107.6L270 L271L270-S273 PolarHBondContact O-OG 3.35Å; L271-S273 VanDerWaalsContact C-N 3.26Å
274S41.3Very low44.3Very low44 Ų4492.7 Ų92.731%0.30850%0.498SS..  trans-48.8153.9156.943.50000109.2I272 D276I272-S274 VanDerWaalsContact C-N 3.31Å; I272-S274 PolarHBondContact O-N 3.05Å; S274-D276 PolarHBondContact O-N 2.89Å; S274-D276 PolarHBondContact OG-OD1 3.13Å
275R43Very low45.9Very low252 Ų25294.1 Ų94.195%0.95150%0.495SS*.  trans-54.261.4170.1-61.2164172.1-178.2-3.6111.6E277R275-E277 PolarHBondContact O-N 2.68Å
276D45Very low47.4Very low72 Ų7299.2 Ų99.239%0.38550%0.499SS..  trans-78.3111.4179.8-71.1-0.1000105.5S274S274-D276 PolarHBondContact O-N 2.89Å; S274-D276 PolarHBondContact OG-OD1 3.13Å
277E52.6Low48.8Very low118 Ų11896.7 Ų96.755%0.55149%0.486SS*.  trans-49.5145.1179.3-73.7-139.4154.400111.4R275 L279 L280 Q281R275-E277 PolarHBondContact O-N 2.68Å; E277-L279 HydrophobicContact CB-CB 4.45Å; E277-L279 PolarHBondContact O-N 3.33Å; E277-L280 PolarHBondContact O-N 3.43Å; E277-Q281 PolarHBondContact O-N 3.27Å
278P56.5Low49.9Very low95 Ų9598.2 Ų98.262%0.61750%0.504SS*.Hα-helixtrans-53.8-26175.823.1-33.9000112.4L282P278-L282 WeakPolarHBondContact O-CB 3.47Å; P278-L282 PolarHBondContact O-N 3.06Å
279L53.1Low50.4Low120 Ų120106.5 Ų106.563%0.62853%0.532SS*.Hα-helixtrans-67-39.1175.4-83.9161.7000114.2E277 L282 A283E277-L279 HydrophobicContact CB-CB 4.45Å; E277-L279 PolarHBondContact O-N 3.33Å; L279-L282 PolarHBondContact O-N 3.42Å; L279-A283 VanDerWaalsContact O-CB 3.27Å; L279-A283 WeakPolarHBondContact O-CB 3.42Å; L279-A283 PolarHBondContact O-N 3.19Å
280L59.3Low51.2Low94 Ų94103.4 Ų103.449%0.49252%0.518SS..Hα-helixtrans-71.7-35.1178.6-98.2157.7000111.2E277 A283 Q284E277-L280 PolarHBondContact O-N 3.43Å; L280-A283 PolarHBondContact O-N 3.24Å; L280-Q284 WeakPolarHBondContact O-CB 3.35Å; L280-Q284 VanDerWaalsContact O-CG 3.23Å; L280-Q284 WeakPolarHBondContact O-CG 3.4Å; L280-Q284 PolarHBondContact O-N 2.87Å
281Q59.7Low52Low115 Ų115100.8 Ų100.854%0.53751%0.505SS..Hα-helixtrans-67.7-44.2173.6-157.4169.26.200110.8E277 A283 Q284 E285E277-Q281 PolarHBondContact O-N 3.27Å; Q281-A283 VanDerWaalsContact C-N 3.34Å; Q281-A283 PolarHBondContact O-N 2.99Å; Q281-Q284 PolarHBondContact O-N 2.81Å; Q281-E285 WeakPolarHBondContact O-CG 2.85Å; Q281-E285 PolarHBondContact O-N 2.54Å
282L57.8Low52.6Low97 Ų97100.6 Ų100.651%0.50850%0.502SS..Hα-helixtrans-59.8-42.9171.5-12298000112.2P278 L279 Q284 E285 R286P278-L282 WeakPolarHBondContact O-CB 3.47Å; P278-L282 PolarHBondContact O-N 3.06Å; L279-L282 PolarHBondContact O-N 3.42Å; L282-Q284 VanDerWaalsContact C-N 3.32Å; L282-Q284 PolarHBondContact O-N 2.91Å; L282-E285 PolarHBondContact O-N 2.87Å; L282-R286 VanDerWaalsContact O-CB 3.32Å; L282-R286 WeakPolarHBondContact O-CB 3.48Å; L282-R286 WeakPolarHBondContact O-CG 3.41Å; L282-R286 PolarHBondContact O-N 2.84Å
283A59.7Low53.2Low47 Ų47107.9 Ų107.939%0.38853%0.528SS..Hα-helixtrans-64.6-37.6178.800000111.4L279 L280 Q281 R286 S287L279-A283 VanDerWaalsContact O-CB 3.27Å; L279-A283 WeakPolarHBondContact O-CB 3.42Å; L279-A283 PolarHBondContact O-N 3.19Å; L280-A283 PolarHBondContact O-N 3.24Å; Q281-A283 VanDerWaalsContact C-N 3.34Å; Q281-A283 PolarHBondContact O-N 2.99Å; A283-R286 PolarHBondContact O-N 3.18Å; A283-S287 WeakPolarHBondContact O-CB 3.27Å; A283-S287 PolarHBondContact O-N 2.88Å; A283-S287 PolarHBondContact O-OG 3.27Å
284Q60.4Low53.8Low46 Ų46108.1 Ų108.122%0.21554%0.54CS..Hα-helixtrans-66.6-43175-74.4169.925.200112L280 Q281 L282 R286 N290L280-Q284 WeakPolarHBondContact O-CB 3.35Å; L280-Q284 VanDerWaalsContact O-CG 3.23Å; L280-Q284 WeakPolarHBondContact O-CG 3.4Å; L280-Q284 PolarHBondContact O-N 2.87Å; Q281-Q284 PolarHBondContact O-N 2.81Å; L282-Q284 VanDerWaalsContact C-N 3.32Å; L282-Q284 PolarHBondContact O-N 2.91Å; Q284-R286 VanDerWaalsContact C-N 3.31Å; Q284-R286 PolarHBondContact O-N 2.94Å; Q284-N290 PolarHBondContact O-ND2 2.85Å
285E58.6Low54.5Low136 Ų136110.3 Ų110.364%0.63655%0.549SS*.Hα-helixtrans-66.9-31.9177.2-72.1173.4-172.500113Q281 L282Q281-E285 WeakPolarHBondContact O-CG 2.85Å; Q281-E285 PolarHBondContact O-N 2.54Å; L282-E285 PolarHBondContact O-N 2.87Å
286R59.1Low55Low199 Ų199107.7 Ų107.775%0.75155%0.549SS*.Hα-helixtrans-92.8-12.5-177.5-62.3-67-179.4177.8-1113.9L282 A283 Q284 C288L282-R286 VanDerWaalsContact O-CB 3.32Å; L282-R286 WeakPolarHBondContact O-CB 3.48Å; L282-R286 WeakPolarHBondContact O-CG 3.41Å; L282-R286 PolarHBondContact O-N 2.84Å; A283-R286 PolarHBondContact O-N 3.18Å; Q284-R286 VanDerWaalsContact C-N 3.31Å; Q284-R286 PolarHBondContact O-N 2.94Å; R286-C288 PolarHBondContact O-N 3.1Å
287S58.8Low55.5Low57 Ų57105.9 Ų105.940%0.39954%0.543SS..  trans-78.9118.6179.4-70.70000111.2A283 W289A283-S287 WeakPolarHBondContact O-CB 3.27Å; A283-S287 PolarHBondContact O-N 2.88Å; A283-S287 PolarHBondContact O-OG 3.27Å; S287-W289 PolarHBondContact O-N 2.94Å
288C51.2Low55.6Low136 Ų136107.3 Ų107.392%0.91955%0.549SS*.SBendtrans-70.2-10.9173.2-60.90000113R286 N290R286-C288 PolarHBondContact O-N 3.1Å; C288-N290 PolarHBondContact O-N 3.02Å
289W47.5Very low55.4Low241 Ų241103.9 Ų103.991%0.91353%0.529SS*.  trans-97.351.7-178.7-157-74.5000111.6S287S287-W289 PolarHBondContact O-N 2.94Å
290N54.5Low55.5Low24 Ų2499.3 Ų99.313%0.12850%0.503CS..SBendtrans-116.6165.7169.5-76.4-31.6000108.9Q284 C288 H292 A299 Y300Q284-N290 PolarHBondContact O-ND2 2.85Å; C288-N290 PolarHBondContact O-N 3.02Å; N290-H292 VanDerWaalsContact CB-CD2 3.46Å; N290-H292 WeakPolarHBondContact CB-CD2 3.41Å; N290-H292 PolarHBondContact O-N 3.33Å; N290-A299 HydrophobicContact CB-CB 4.08Å; N290-A299 WeakPolarHBondContact ND2-CB 3.49Å; N290-Y300 HydrophobicContact CB-CE2 4.42Å; N290-Y300 WeakPolarHBondContact OD1-CE2 3.37Å; N290-Y300 PolarHBondContact OD1-OH 3.35Å
291D54.1Low55.4Low62 Ų6299 Ų9933%0.33250%0.499SS..SBendtrans-58.614.6-173.9-1340.4000115.4H128 R293H128-D291 IonicContact CE1-OD1 3.97Å; H128-D291 IonicContact CE1-OD2 3.63Å; H128-D291 IonicContact ND1-OD2 3.11Å; H128-D291 PolarHBondContact ND1-OD2 3.42Å; D291-R293 PolarHBondContact O-N 3.08Å
292H50.9Low55.2Low68 Ų6895.7 Ų95.732%0.31550%0.495SS..  trans-68.2111.9175.2-56.6-87.4000109.8N290 G294 S297 E298 A299N290-H292 VanDerWaalsContact CB-CD2 3.46Å; N290-H292 WeakPolarHBondContact CB-CD2 3.41Å; N290-H292 PolarHBondContact O-N 3.33Å; H292-G294 PolarHBondContact O-N 3.31Å; H292-G294 VanDerWaalsContact O-N 3.13Å; H292-S297 PolarHBondContact CE1-O 3.23Å; H292-S297 PolarHBondContact ND1-O 3.33Å; H292-E298 PolarHBondContact CE1-O 3.49Å; H292-A299 WeakPolarHBondContact CE1-CA 3.31Å; H292-A299 PolarHBondContact CE1-N 3.45Å; H292-A299 WeakPolarHBondContact NE2-CA 3.38Å; H292-A299 WeakPolarHBondContact NE2-CB 3.43Å; H292-A299 PolarHBondContact NE2-N 3.39Å
293R53.9Low55.4Low180 Ų18091.8 Ų91.868%0.67948%0.479SS*.SBendtrans-83.131.7169.6-62.4-169.7179.5-164.94.1112.4S167 D291S167-R293 PolarHBondContact OG-NH2 2.83Å; D291-R293 PolarHBondContact O-N 3.08Å
294G52.5Low55.7Low67 Ų6796.8 Ų96.869%0.69149%0.492SS*.SBendtrans80.914.4-174.200000114.4H292 M296H292-G294 PolarHBondContact O-N 3.31Å; H292-G294 VanDerWaalsContact O-N 3.13Å; G294-M296 VanDerWaalsContact C-N 3.27Å; G294-M296 PolarHBondContact O-N 2.91Å
295D55.3Low56.5Low91 Ų9195.9 Ų95.949%0.48749%0.488SS..  trans-817.3-166.9-53.6-19.9000114.9S297D295-S297 PolarHBondContact O-N 2.99Å
296M54Low57.6Low196 Ų19690.1 Ų90.197%0.96646%0.461SS*.  trans52.44.3-171.6-72.3-85.1-15300115.1G294G294-M296 VanDerWaalsContact C-N 3.27Å; G294-M296 PolarHBondContact O-N 2.91Å
297S55.8Low58.9Low35 Ų3580.7 Ų80.725%0.24543%0.425CS..PPolyproline II helixtrans-74155.5175.258.50000110.5H292 D295H292-S297 PolarHBondContact CE1-O 3.23Å; H292-S297 PolarHBondContact ND1-O 3.33Å; D295-S297 PolarHBondContact O-N 2.99Å
298E54.3Low60.4Low148 Ų14878.3 Ų78.369%0.69241%0.407SS*.PPolyproline II helixtrans-62158.5173.5-69177.4179.800112H292 Y300 H301H292-E298 PolarHBondContact CE1-O 3.49Å; E298-Y300 PolarHBondContact O-N 2.99Å; E298-H301 WeakPolarHBondContact O-CA 3.33Å; E298-H301 PolarHBondContact O-N 3.14Å
299A53.5Low62.3Low22 Ų2271.9 Ų71.918%0.18236%0.364CS..G310 helixtrans-53131.7179.500000109.6N290 H292 H301 G302N290-A299 HydrophobicContact CB-CB 4.08Å; N290-A299 WeakPolarHBondContact ND2-CB 3.49Å; H292-A299 WeakPolarHBondContact CE1-CA 3.31Å; H292-A299 PolarHBondContact CE1-N 3.45Å; H292-A299 WeakPolarHBondContact NE2-CA 3.38Å; H292-A299 WeakPolarHBondContact NE2-CB 3.43Å; H292-A299 PolarHBondContact NE2-N 3.39Å; A299-H301 PolarHBondContact O-N 3.44Å; A299-H301 VanDerWaalsContact O-N 3.14Å; A299-G302 PolarHBondContact O-N 3.45Å
300Y55Low64.4Low25 Ų2562 Ų6210%0.09833%0.328CS..G310 helixtrans59.422.4-177.3-50.3-81.4000114.9N290 E298 G302 G303N290-Y300 HydrophobicContact CB-CE2 4.42Å; N290-Y300 WeakPolarHBondContact OD1-CE2 3.37Å; N290-Y300 PolarHBondContact OD1-OH 3.35Å; E298-Y300 PolarHBondContact O-N 2.99Å; Y300-G302 VanDerWaalsContact C-N 3.27Å; Y300-G302 PolarHBondContact O-N 3.08Å; Y300-G303 PolarHBondContact O-N 3.45Å
301H56.9Low66Low88 Ų8861.9 Ų61.941%0.40733%0.327SS..G310 helixtrans59.631.7-179.4-56.867.3000113.8E298 A299 G303E298-H301 WeakPolarHBondContact O-CA 3.33Å; E298-H301 PolarHBondContact O-N 3.14Å; A299-H301 PolarHBondContact O-N 3.44Å; A299-H301 VanDerWaalsContact O-N 3.14Å; H301-G303 PolarHBondContact O-N 2.97Å
302G55.6Low67.4Low44 Ų4459.7 Ų59.745%0.45432%0.315SS..G310 helixtrans68.913.317800000114.7A299 Y300 K304A299-G302 PolarHBondContact O-N 3.45Å; Y300-G302 VanDerWaalsContact C-N 3.27Å; Y300-G302 PolarHBondContact O-N 3.08Å; G302-K304 PolarHBondContact O-N 3.4Å
303G61.6Low68.5Low16 Ų1662.9 Ų62.917%0.16533%0.33CS..  trans-83.9108-179.200000112.5Y300 H301 L305Y300-G303 PolarHBondContact O-N 3.45Å; H301-G303 PolarHBondContact O-N 2.97Å; G303-L305 VanDerWaalsContact C-N 3.33Å; G303-L305 PolarHBondContact O-N 2.94Å
304K66.1Low69.5Low152 Ų15262.6 Ų62.666%0.66134%0.336SS*.SBendtrans-63-38.3174.5-66.7-175.9177.9-175.40112.7G302G302-K304 PolarHBondContact O-N 3.4Å
305L76.3Confident70.5Confident26 Ų2661.8 Ų61.814%0.13633%0.328CS..SBendtrans-99.7132.4177.3-62.2173.8000110.8T131 K239 Q240 I272 G303T131-L305 HydrophobicContact CG2-CD2 3.97Å; K239-L305 HydrophobicContact CB-CD1 3.66Å; Q240-L305 HydrophobicContact CB-CB 4.45Å; Q240-L305 WeakPolarHBondContact CG-O 3.44Å; Q240-L305 PolarHBondContact NE2-O 3.24Å; I272-L305 HydrophobicContact CB-CD2 4.31Å; I272-L305 HydrophobicContact CD1-CD2 4.38Å; I272-L305 HydrophobicContact CG2-CD2 3.5Å; G303-L305 VanDerWaalsContact C-N 3.33Å; G303-L305 PolarHBondContact O-N 2.94Å
306R82.8Confident71.6Confident16 Ų1659.1 Ų59.16%0.0631%0.314CS..  trans-134111.7-173.6-72.5174.7-78.8-172.2-11.3110.4H128 N129 T131 L132 Y308H128-R306 PolarHBondContact O-NH1 3.2Å; N129-R306 PolarHBondContact O-NE 3.41Å; N129-R306 PolarHBondContact O-NH1 3.29Å; N129-R306 PolarHBondContact O-NH2 3.24Å; T131-R306 WeakPolarHBondContact CA-O 3.35Å; T131-R306 WeakPolarHBondContact CB-O 3.37Å; T131-R306 PolarHBondContact N-O 3.28Å; T131-R306 PolarHBondContact OG1-N 3.2Å; L132-R306 PolarHBondContact N-O 3.46Å; L132-R306 VanDerWaalsContact N-O 3.07Å; R306-Y308 HydrophobicContact CB-CD2 4.5Å; R306-Y308 HydrophobicContact CB-CE2 4.01Å
307C87.2Confident73Confident0 Ų050.1 Ų50.10%027%0.27CS..EExtended strand (participates in β ladder)trans-109.3124.8175.9-57.30000110.2L132 L171 V237L132-C307 HydrophobicContact CD2-CB 4.46Å; L132-C307 CarbonylContact O-C 3.59Å; L132-C307 WeakPolarHBondContact O-CA 3.47Å; L171-C307 HydrophobicContact CB-CB 4.22Å; L171-C307 PolarHBondContact N-O 3.26Å; L171-C307 VanDerWaalsContact N-O 3.1Å; V237-C307 HydrophobicContact CG2-CB 4.12Å
308Y90.1Very high74.3Confident7 Ų748.9 Ų48.93%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-120.2151176.1-71.7-90.7000110.8H128 A130 L132 A133 M134 K169 R170 R306H128-Y308 HydrophobicContact CB-CD2 4.03Å; H128-Y308 HydrophobicContact CB-CE1 4.09Å; H128-Y308 HydrophobicContact CB-CE2 3.32Å; H128-Y308 AromaticContact CD2-CE1 3.82Å; H128-Y308 AromaticContact CG-CE1 3.71Å; H128-Y308 AromaticContact CG-CE2 3.9Å; H128-Y308 AromaticContact CG-CZ 3.43Å; H128-Y308 VanDerWaalsContact CG-CZ 3.43Å; H128-Y308 AromaticContact ND1-CE1 3.97Å; H128-Y308 AromaticContact ND1-CZ 3.72Å; H128-Y308 PolarHBondContact ND1-OH 3.11Å; A130-Y308 HydrophobicContact CB-CD2 3.57Å; A130-Y308 HydrophobicContact CB-CE2 4.17Å; L132-Y308 PolarHBondContact O-N 2.85Å; A133-Y308 WeakPolarHBondContact CA-O 3.08Å; M134-Y308 PolarHBondContact N-O 2.98Å; K169-Y308 HydrophobicContact CB-CD1 4.25Å; K169-Y308 CarbonylContact O-C 3.53Å; K169-Y308 VanDerWaalsContact O-CA 3.3Å; K169-Y308 WeakPolarHBondContact O-CA 3.28Å; K169-Y308 WeakPolarHBondContact O-CD1 3.13Å; R170-Y308 HydrophobicContact CB-CD1 4.31Å; R170-Y308 HydrophobicContact CB-CE1 4.12Å; R170-Y308 HydrophobicContact CG-CE1 4.45Å; R306-Y308 HydrophobicContact CB-CD2 4.5Å; R306-Y308 HydrophobicContact CB-CE2 4.01Å
309V90.8Very high75.8Confident1 Ų143.8 Ų43.81%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-128.4129.7177.167.60000108.3M134 M136 V164 K169 L171 I311M134-V309 HydrophobicContact CG-CB 4.1Å; M134-V309 HydrophobicContact CG-CG2 3.81Å; M134-V309 CarbonylContact O-C 3.54Å; M134-V309 WeakPolarHBondContact O-CA 3.2Å; M134-V309 HydrophobicContact SD-CG2 4.49Å; M136-V309 HydrophobicContact CB-CG2 4.13Å; M136-V309 HydrophobicContact CG-CG2 3.53Å; M136-V309 HydrophobicContact SD-CG2 3.63Å; V164-V309 HydrophobicContact CG1-CG1 3.58Å; K169-V309 WeakPolarHBondContact CA-O 3.44Å; K169-V309 PolarHBondContact O-N 2.94Å; K169-V309 VanDerWaalsContact O-O 3.13Å; L171-V309 HydrophobicContact CB-CB 4.43Å; L171-V309 HydrophobicContact CB-CG1 4.43Å; V309-I311 HydrophobicContact CG1-CD1 4.38Å; V309-I311 HydrophobicContact CG1-CG1 4.24Å; V309-I311 HydrophobicContact CG2-CG1 4.12Å
310H90.6Very high77.3Confident33 Ų3342.7 Ų42.715%0.15323%0.226CC..EExtended strand (participates in β ladder)trans-94.2116.8164.7-174.989.8000107.8E120 V121 L124 M134 L135 M136E120-H310 IonicContact OE2-CE1 2.75Å; E120-H310 PolarHBondContact OE2-CE1 3.19Å; E120-H310 IonicContact OE2-ND1 4Å; E120-H310 IonicContact OE2-NE2 3.27Å; E120-H310 PolarHBondContact OE2-NE2 2.79Å; V121-H310 HydrophobicContact CG2-CB 4.01Å; L124-H310 HydrophobicContact CD1-CB 3.73Å; M134-H310 PolarHBondContact O-N 2.92Å; L135-H310 HydrophobicContact CD1-CB 4.13Å; M136-H310 PolarHBondContact N-O 3.1Å
311I88.6Confident78.6Confident22 Ų2243.3 Ų43.311%0.11323%0.231CC..EExtended strand (participates in β ladder)trans-100.6118.9176-60.5170.4000108.3M136 V164 K200 L203 V309M136-I311 WeakPolarHBondContact O-CA 2.81Å; V164-I311 HydrophobicContact CG1-CD1 3.83Å; V164-I311 HydrophobicContact CG2-CD1 4.42Å; K200-I311 HydrophobicContact CD-CD1 3.9Å; L203-I311 HydrophobicContact CD1-CD1 3.82Å; L203-I311 HydrophobicContact CD1-CG1 4.12Å; L203-I311 HydrophobicContact CD1-CG2 4.36Å; L203-I311 HydrophobicContact CD2-CG2 3.78Å; V309-I311 HydrophobicContact CG1-CD1 4.38Å; V309-I311 HydrophobicContact CG1-CG1 4.24Å; V309-I311 HydrophobicContact CG2-CG1 4.12Å
312M83.6Confident79.8Confident16 Ų1641.1 Ų41.18%0.07922%0.223CC..PPolyproline II helixtrans-80.9132.7176.6-63.9-165.169.100112.4V116 L135 M136 Q314 C317V116-M312 HydrophobicContact CB-CE 3.86Å; V116-M312 HydrophobicContact CB-SD 3.74Å; V116-M312 HydrophobicContact CG1-CE 3.56Å; V116-M312 HydrophobicContact CG1-CG 4.38Å; V116-M312 HydrophobicContact CG1-SD 3.36Å; V116-M312 WeakPolarHBondContact CG1-SD 3.16Å; V116-M312 HydrophobicContact CG2-CE 3.34Å; V116-M312 HydrophobicContact CG2-SD 3.01Å; V116-M312 WeakPolarHBondContact CG2-SD 2.99Å; L135-M312 HydrophobicContact CD1-CG 3.57Å; L135-M312 HydrophobicContact CD1-SD 3.84Å; L135-M312 HydrophobicContact CD2-SD 4.33Å; L135-M312 HydrophobicContact CG-SD 4.4Å; M136-M312 PolarHBondContact O-N 3.19Å; M312-Q314 WeakPolarHBondContact CE-O 3.44Å; M312-C317 HydrophobicContact SD-CB 4.49Å
313E74.6Confident81.1Confident136 Ų13640.1 Ų40.164%0.63621%0.207SC*.SBendtrans-101.5-29.8175.1-58.7-161.815600113.3
314Q73.4Confident82.1Confident173 Ų17340.2 Ų40.281%0.80821%0.207SC*.SBendtrans-136.8143.8-178-61-177.8-2.500109.6M312M312-Q314 WeakPolarHBondContact CE-O 3.44Å
315G73.6Confident83Confident50 Ų5033.2 Ų33.252%0.51518%0.178SC..SBendtrans120.2159.7-179.600000113.1
316L78.4Confident83.5Confident35 Ų3532 Ų3218%0.18317%0.171CC..  trans-86.8122.6177.2-61.7165.5000108.5T114 D115 Y318 Q332 L336T114-L316 WeakPolarHBondContact CA-O 3.49Å; D115-L316 PolarHBondContact N-O 3.02Å; D115-L316 WeakPolarHBondContact OD2-CB 3.2Å; D115-L316 WeakPolarHBondContact OD2-CD1 3.44Å; L316-Y318 HydrophobicContact CB-CE2 4.2Å; L316-Y318 HydrophobicContact CD2-CE2 3.72Å; L316-Q332 HydrophobicContact CD2-CG 4.4Å; L316-L336 HydrophobicContact CD1-CD2 4.07Å
317C83.6Confident83.6Confident7 Ų732.6 Ų32.65%0.04718%0.175CC..EExtended strand (participates in β ladder)trans-143.997.4174.6176.10000108.4I113 T114 V116 M312I113-C317 CarbonylContact O-C 3.57Å; I113-C317 WeakPolarHBondContact O-CA 3.09Å; T114-C317 HydrophobicContact CG2-CB 3.84Å; T114-C317 WeakPolarHBondContact CG2-SG 3.49Å; V116-C317 HydrophobicContact CG2-CB 4.36Å; M312-C317 HydrophobicContact SD-CB 4.49Å
318Y84.4Confident83.5Confident10 Ų1033.3 Ų33.34%0.03918%0.178CC..EExtended strand (participates in β ladder)trans-109.9132.3178.4-64.8-74.5000110.3I113 H140 L316 E328 Q332I113-Y318 PolarHBondContact N-O 3.4Å; I113-Y318 PolarHBondContact O-N 3.31Å; H140-Y318 HydrophobicContact CB-CE1 4.07Å; H140-Y318 AromaticContact CD2-CZ 3.99Å; H140-Y318 PolarHBondContact CD2-OH 2.99Å; H140-Y318 AromaticContact CG-CE1 3.89Å; L316-Y318 HydrophobicContact CB-CE2 4.2Å; L316-Y318 HydrophobicContact CD2-CE2 3.72Å; Y318-E328 HydrophobicContact CE1-CG 3.81Å; Y318-E328 VanDerWaalsContact CE1-OE1 3.29Å; Y318-E328 WeakPolarHBondContact CE1-OE1 3.32Å; Y318-E328 PolarHBondContact OH-OE1 3.44Å; Y318-Q332 HydrophobicContact CE2-CB 4.27Å; Y318-Q332 HydrophobicContact CE2-CG 3.8Å
319R85.9Confident83.3Confident40 Ų4033 Ų3315%0.15118%0.177CC..EExtended strand (participates in β ladder)trans-104.6107.4169.5-169.8175.7-177.1171.7-2.4108.7D111 D205 H207 N321 A325D111-R319 WeakPolarHBondContact OD2-CG 3.33Å; D111-R319 IonicContact OD2-NE 3.92Å; D205-R319 WeakPolarHBondContact O-CD 3.45Å; D205-R319 PolarHBondContact O-NH1 3.37Å; D205-R319 IonicContact OD2-NH1 3.71Å; D205-R319 PolarHBondContact OD2-NH1 2.91Å; H207-R319 PolarHBondContact CD2-NH2 3.45Å; H207-R319 VanDerWaalsContact CD2-NH2 3.31Å; H207-R319 PolarHBondContact ND1-NH2 2.89Å; R319-N321 WeakPolarHBondContact CD-ND2 3.49Å; R319-N321 WeakPolarHBondContact CG-ND2 3.33Å; R319-N321 PolarHBondContact NE-ND2 2.8Å; R319-N321 PolarHBondContact O-N 2.84Å; R319-A325 WeakPolarHBondContact O-CB 3.39Å
320V85.3Confident83.1Confident0 Ų033.1 Ų33.10%018%0.178CC..  trans-80.973.5-172-175.50000110M16 K25 L35 D111 I113 Y326 A329M16-V320 HydrophobicContact CE-CG1 4.21Å; M16-V320 WeakPolarHBondContact CE-O 3.23Å; K25-V320 WeakPolarHBondContact CE-O 3.49Å; K25-V320 PolarHBondContact NZ-O 3.23Å; K25-V320 VanDerWaalsContact NZ-O 3.13Å; L35-V320 HydrophobicContact CD1-CB 4Å; L35-V320 HydrophobicContact CD1-CG1 4.27Å; L35-V320 HydrophobicContact CD1-CG2 3.94Å; L35-V320 HydrophobicContact CD2-CB 4.25Å; L35-V320 HydrophobicContact CD2-CG1 4.38Å; D111-V320 HydrophobicContact CB-CB 4.48Å; D111-V320 PolarHBondContact O-N 3.42Å; I113-V320 HydrophobicContact CD1-CG2 3.66Å; I113-V320 HydrophobicContact CG1-CG2 4.24Å; V320-Y326 HydrophobicContact CG1-CD2 3.86Å; V320-Y326 HydrophobicContact CG1-CG 4.32Å; V320-A329 HydrophobicContact CG2-CB 3.86Å
321N81.2Confident82.8Confident38 Ų3835.5 Ų35.520%0.20319%0.185CC..  trans-107-21.7177.4-90-38.2000113.6R15 K25 D111 R319R15-N321 VanDerWaalsContact CB-O 3.31Å; R15-N321 WeakPolarHBondContact CB-O 3.35Å; K25-N321 PolarHBondContact NZ-OD1 3.19Å; D111-N321 PolarHBondContact OD2-ND2 3.27Å; D111-N321 PolarHBondContact OD2-OD1 3.08Å; R319-N321 WeakPolarHBondContact CD-ND2 3.49Å; R319-N321 WeakPolarHBondContact CG-ND2 3.33Å; R319-N321 PolarHBondContact NE-ND2 2.8Å; R319-N321 PolarHBondContact O-N 2.84Å
322T82.9Confident82.4Confident41 Ų4135.3 Ų35.325%0.25218%0.184SC..SBendtrans-118.9156.8-177.859.70000109.7A324 A325 Y326T322-A324 PolarHBondContact O-N 3.24Å; T322-A325 PolarHBondContact O-N 2.79Å; T322-A325 WeakPolarHBondContact OG1-CB 3.39Å; T322-A325 PolarHBondContact OG1-N 2.8Å; T322-Y326 PolarHBondContact O-N 2.87Å
323L82Confident82.3Confident23 Ų2334.5 Ų34.512%0.1218%0.18CC..Hα-helixtrans-58-37.7174-177.563000111.5L19 V146 Y326 I327 L427L19-L323 HydrophobicContact CD1-CD1 3.66Å; L19-L323 HydrophobicContact CD2-CD1 4.44Å; L19-L323 HydrophobicContact CG-CD1 4.19Å; V146-L323 HydrophobicContact CG1-CB 4.11Å; V146-L323 HydrophobicContact CG1-CD2 3.57Å; V146-L323 HydrophobicContact CG1-CG 3.88Å; L323-Y326 HydrophobicContact CD1-CD1 4.46Å; L323-Y326 WeakPolarHBondContact O-CB 3.46Å; L323-Y326 PolarHBondContact O-N 3.21Å; L323-I327 HydrophobicContact CD1-CD1 4.43Å; L323-I327 HydrophobicContact CG-CD1 4.13Å; L323-I327 WeakPolarHBondContact O-CG1 3.47Å; L323-I327 PolarHBondContact O-N 3.37Å; L323-L427 HydrophobicContact CD2-CD2 4.14Å
324A83.5Confident82.3Confident19 Ų1929.8 Ų29.816%0.15716%0.161CC..Hα-helixtrans-59.5-49.4175.100000112.1F142 V146 T322 Y326 I327 E328F142-A324 HydrophobicContact CD1-CB 3.89Å; F142-A324 HydrophobicContact CE1-CB 4.11Å; F142-A324 HydrophobicContact CG-CB 4.18Å; V146-A324 HydrophobicContact CG2-CB 3.71Å; T322-A324 PolarHBondContact O-N 3.24Å; A324-Y326 VanDerWaalsContact C-N 3.29Å; A324-Y326 PolarHBondContact O-N 2.99Å; A324-I327 PolarHBondContact O-N 2.76Å; A324-E328 PolarHBondContact O-N 2.87Å
325A83.8Confident82.4Confident5 Ų529 Ų294%0.04116%0.155CC..Hα-helixtrans-64.1-34.8177.600000112.2F142 R319 T322 A329F142-A325 HydrophobicContact CE1-CB 4.24Å; R319-A325 WeakPolarHBondContact O-CB 3.39Å; T322-A325 PolarHBondContact O-N 2.79Å; T322-A325 WeakPolarHBondContact OG1-CB 3.39Å; T322-A325 PolarHBondContact OG1-N 2.8Å; A325-A329 WeakPolarHBondContact O-CB 3.38Å; A325-A329 PolarHBondContact O-N 3.22Å
326Y87.1Confident82.3Confident0 Ų027.9 Ų27.90%014%0.137CC..Hα-helixtrans-65-41.6175.1176.8-101.8000112.7L19 L28 P29 V30 V320 T322 L323 A324 N330 I393 V410L19-Y326 HydrophobicContact CD1-CD1 3.87Å; L19-Y326 HydrophobicContact CD1-CE1 4.11Å; L19-Y326 HydrophobicContact CD1-CG 4.19Å; L28-Y326 HydrophobicContact CB-CE2 4.23Å; P29-Y326 VanDerWaalsContact O-CE2 3.29Å; P29-Y326 WeakPolarHBondContact O-CE2 3.21Å; P29-Y326 PolarHBondContact O-OH 3.4Å; V30-Y326 HydrophobicContact CG2-CD2 3.99Å; V30-Y326 HydrophobicContact CG2-CE2 3.79Å; V320-Y326 HydrophobicContact CG1-CD2 3.86Å; V320-Y326 HydrophobicContact CG1-CG 4.32Å; T322-Y326 PolarHBondContact O-N 2.87Å; L323-Y326 HydrophobicContact CD1-CD1 4.46Å; L323-Y326 WeakPolarHBondContact O-CB 3.46Å; L323-Y326 PolarHBondContact O-N 3.21Å; A324-Y326 VanDerWaalsContact C-N 3.29Å; A324-Y326 PolarHBondContact O-N 2.99Å; Y326-N330 WeakPolarHBondContact CE2-ND2 3.39Å; Y326-N330 VanDerWaalsContact CZ-ND2 3.34Å; Y326-N330 PolarHBondContact O-N 3.47Å; Y326-N330 VanDerWaalsContact O-N 3.12Å; Y326-N330 PolarHBondContact O-ND2 3.05Å; Y326-I393 HydrophobicContact CD1-CD1 4.33Å; Y326-I393 HydrophobicContact CE1-CD1 4.08Å; Y326-I393 HydrophobicContact CE1-CG2 4.2Å; Y326-V410 HydrophobicContact CE1-CG1 4.24Å
327I85.5Confident81.7Confident28 Ų2827.5 Ų27.514%0.14413%0.134CC..Hα-helixtrans-67.4-46.5177.3-66.6165.2000110.5P147 L323 A324 A329 N330 R331 I393 V410P147-I327 HydrophobicContact CG-CD1 3.88Å; L323-I327 HydrophobicContact CD1-CD1 4.43Å; L323-I327 HydrophobicContact CG-CD1 4.13Å; L323-I327 WeakPolarHBondContact O-CG1 3.47Å; L323-I327 PolarHBondContact O-N 3.37Å; A324-I327 PolarHBondContact O-N 2.76Å; I327-A329 PolarHBondContact O-N 3.41Å; I327-N330 PolarHBondContact O-N 3.15Å; I327-R331 PolarHBondContact O-N 3.24Å; I327-I393 HydrophobicContact CB-CD1 4.31Å; I327-I393 HydrophobicContact CG1-CD1 4.04Å; I327-I393 HydrophobicContact CG2-CD1 4.45Å; I327-V410 HydrophobicContact CD1-CG2 4.08Å; I327-V410 HydrophobicContact CG1-CG2 3.95Å
328E84.2Confident80.5Confident15 Ų1536.9 Ų36.97%0.0718%0.177CC..Hα-helixtrans-64.4-41.6179.3-169.7176.3177.800112H140 F142 Y318 A324 N330 R331 Q332H140-E328 IonicContact CD2-OE1 3.77Å; F142-E328 WeakPolarHBondContact CD1-OE2 3.34Å; F142-E328 WeakPolarHBondContact CE1-OE2 3.37Å; Y318-E328 HydrophobicContact CE1-CG 3.81Å; Y318-E328 VanDerWaalsContact CE1-OE1 3.29Å; Y318-E328 WeakPolarHBondContact CE1-OE1 3.32Å; Y318-E328 PolarHBondContact OH-OE1 3.44Å; A324-E328 PolarHBondContact O-N 2.87Å; E328-N330 VanDerWaalsContact C-N 3.32Å; E328-N330 PolarHBondContact O-N 2.81Å; E328-R331 WeakPolarHBondContact O-CB 3.04Å; E328-R331 PolarHBondContact O-N 3.23Å; E328-R331 VanDerWaalsContact O-N 3.11Å; E328-R331 IonicContact OE1-NH2 3.63Å; E328-Q332 WeakPolarHBondContact O-CG 3.29Å; E328-Q332 PolarHBondContact O-N 3.14Å
329A86.4Confident79.4Confident0 Ų041.8 Ų41.80%020%0.201CC..Hα-helixtrans-57.8-44.6174.600000111.8V30 I113 V320 A325 I327 R331 Q332 A333V30-A329 HydrophobicContact CG1-CB 4.04Å; I113-A329 HydrophobicContact CD1-CB 3.75Å; V320-A329 HydrophobicContact CG2-CB 3.86Å; A325-A329 WeakPolarHBondContact O-CB 3.38Å; A325-A329 PolarHBondContact O-N 3.22Å; I327-A329 PolarHBondContact O-N 3.41Å; A329-R331 VanDerWaalsContact C-N 3.3Å; A329-R331 PolarHBondContact O-N 2.79Å; A329-Q332 PolarHBondContact O-N 3.26Å; A329-A333 PolarHBondContact O-N 3.37Å
330N87.4Confident78.2Confident4 Ų444.5 Ų44.52%0.02122%0.223CC..Hα-helixtrans-64.5-33.4175.9-89.2-70.6000113.1V30 G31 Y326 I327 E328 A333 I393V30-N330 WeakPolarHBondContact CA-OD1 3.18Å; G31-N330 PolarHBondContact N-OD1 3.13Å; Y326-N330 WeakPolarHBondContact CE2-ND2 3.39Å; Y326-N330 VanDerWaalsContact CZ-ND2 3.34Å; Y326-N330 PolarHBondContact O-N 3.47Å; Y326-N330 VanDerWaalsContact O-N 3.12Å; Y326-N330 PolarHBondContact O-ND2 3.05Å; I327-N330 PolarHBondContact O-N 3.15Å; E328-N330 VanDerWaalsContact C-N 3.32Å; E328-N330 PolarHBondContact O-N 2.81Å; N330-A333 WeakPolarHBondContact O-CB 3.47Å; N330-A333 PolarHBondContact O-N 3.07Å; N330-I393 HydrophobicContact CB-CD1 3.53Å; N330-I393 HydrophobicContact CB-CG1 3.91Å
331R82.9Confident77.4Confident83 Ų8347.1 Ų47.131%0.31324%0.24SC..Hα-helixtrans-68.8-35.6175.4-171.4-176.571174.2-1.1112.5T143 E144 I327 E328 A329 P334T143-R331 PolarHBondContact OG1-NH1 2.82Å; E144-R331 IonicContact OE1-NH1 3.69Å; E144-R331 PolarHBondContact OE1-NH1 2.85Å; I327-R331 PolarHBondContact O-N 3.24Å; E328-R331 WeakPolarHBondContact O-CB 3.04Å; E328-R331 PolarHBondContact O-N 3.23Å; E328-R331 VanDerWaalsContact O-N 3.11Å; E328-R331 IonicContact OE1-NH2 3.63Å; A329-R331 VanDerWaalsContact C-N 3.3Å; A329-R331 PolarHBondContact O-N 2.79Å; R331-P334 WeakPolarHBondContact O-CD 3.47Å
332Q81.9Confident77.2Confident18 Ų1847.5 Ų47.58%0.08424%0.244CC..Hα-helixtrans-84.5-15.5177.7-57.5-67.1-4.600112.4L316 Y318 E328 A329 P334 K335 L336L316-Q332 HydrophobicContact CD2-CG 4.4Å; Y318-Q332 HydrophobicContact CE2-CB 4.27Å; Y318-Q332 HydrophobicContact CE2-CG 3.8Å; E328-Q332 WeakPolarHBondContact O-CG 3.29Å; E328-Q332 PolarHBondContact O-N 3.14Å; A329-Q332 PolarHBondContact O-N 3.26Å; Q332-P334 VanDerWaalsContact C-CD 3.41Å; Q332-P334 VanDerWaalsContact C-N 3.33Å; Q332-K335 WeakPolarHBondContact O-CB 3.29Å; Q332-K335 PolarHBondContact O-N 2.8Å; Q332-L336 PolarHBondContact O-N 3.4Å
333A79.6Confident77Confident0 Ų048.7 Ų48.70%025%0.247CC..Hα-helixtrans-49.2-43.6179.600000114.1V30 A329 N330 K335 L336 F337 I359V30-A333 HydrophobicContact CG1-CB 4.34Å; A329-A333 PolarHBondContact O-N 3.37Å; N330-A333 WeakPolarHBondContact O-CB 3.47Å; N330-A333 PolarHBondContact O-N 3.07Å; A333-K335 PolarHBondContact O-N 2.92Å; A333-K335 VanDerWaalsContact O-N 3.12Å; A333-L336 WeakPolarHBondContact O-CB 3.28Å; A333-L336 PolarHBondContact O-N 2.87Å; A333-F337 HydrophobicContact CB-CD2 4.32Å; A333-F337 HydrophobicContact CB-CE2 4.05Å; A333-F337 WeakPolarHBondContact O-CD2 3.45Å; A333-F337 PolarHBondContact O-N 3.42Å; A333-F337 VanDerWaalsContact O-N 3.14Å; A333-I359 HydrophobicContact CB-CD1 4.01Å
334P76.2Confident76.6Confident37 Ų3753.2 Ų53.224%0.2428%0.277CS..Hα-helixtrans-59.2-24.8176.1-21.831.3000114.5R331 Q332 D357 I359R331-P334 WeakPolarHBondContact O-CD 3.47Å; Q332-P334 VanDerWaalsContact C-CD 3.41Å; Q332-P334 VanDerWaalsContact C-N 3.33Å; P334-D357 WeakPolarHBondContact CG-O 3.18Å; P334-I359 HydrophobicContact CB-CD1 4.49Å; P334-I359 HydrophobicContact CG-CD1 3.89Å; P334-I359 HydrophobicContact CG-CG1 4.03Å
335K75.6Confident76.4Confident155 Ų15554.6 Ų54.667%0.67429%0.286SS*.Hα-helixtrans-81.3-25.6175.3-59.8-177.9-173.71640112.8Q332 A333Q332-K335 WeakPolarHBondContact O-CB 3.29Å; Q332-K335 PolarHBondContact O-N 2.8Å; A333-K335 PolarHBondContact O-N 2.92Å; A333-K335 VanDerWaalsContact O-N 3.12Å
336L70.6Confident76.2Confident28 Ų2855.1 Ų55.115%0.14729%0.29CS..Hα-helixtrans-78.7-26.5178.1-61.1173.6000111.5Y38 I113 D115 L316 Q332 A333Y38-L336 HydrophobicContact CE1-CD1 4.03Å; I113-L336 HydrophobicContact CG2-CD1 3.52Å; D115-L336 VanDerWaalsContact CG-CD2 3.41Å; D115-L336 WeakPolarHBondContact OD1-CD2 3.43Å; D115-L336 WeakPolarHBondContact OD2-CD2 3.16Å; L316-L336 HydrophobicContact CD1-CD2 4.07Å; Q332-L336 PolarHBondContact O-N 3.4Å; A333-L336 WeakPolarHBondContact O-CB 3.28Å; A333-L336 PolarHBondContact O-N 2.87Å
337F65.6Low75.9Confident27 Ų2759.8 Ų59.812%0.11832%0.318CS..  trans-95114.5178.7-66.1-63.3000111.1K33 W37 Y38 A333 E339 I359K33-F337 HydrophobicContact CB-CZ 4.26Å; K33-F337 HydrophobicContact CD-CE1 3.53Å; K33-F337 HydrophobicContact CD-CZ 3.87Å; K33-F337 HydrophobicContact CG-CE1 4.05Å; K33-F337 HydrophobicContact CG-CZ 3.86Å; W37-F337 HydrophobicContact CE3-CE1 4.44Å; W37-F337 HydrophobicContact CH2-CD1 4.48Å; W37-F337 AromaticContact CH2-CE1 3.73Å; W37-F337 HydrophobicContact CH2-CE1 3.73Å; W37-F337 AromaticContact CZ3-CE1 3.58Å; W37-F337 HydrophobicContact CZ3-CE1 3.58Å; W37-F337 HydrophobicContact CZ3-CZ 4.07Å; Y38-F337 HydrophobicContact CE1-CZ 4.14Å; Y38-F337 AromaticContact CZ-CZ 3.93Å; Y38-F337 WeakPolarHBondContact OH-CE2 3.47Å; Y38-F337 VanDerWaalsContact OH-CZ 3.29Å; Y38-F337 WeakPolarHBondContact OH-CZ 3.42Å; A333-F337 HydrophobicContact CB-CD2 4.32Å; A333-F337 HydrophobicContact CB-CE2 4.05Å; A333-F337 WeakPolarHBondContact O-CD2 3.45Å; A333-F337 PolarHBondContact O-N 3.42Å; A333-F337 VanDerWaalsContact O-N 3.14Å; F337-E339 PolarHBondContact O-N 3.5Å; F337-I359 HydrophobicContact CD2-CD1 4.17Å
338E58.4Low75.7Confident203 Ų20361.4 Ų61.495%0.94933%0.327SS*.  trans-76.2-3.7164.2-64.6-179.8169.400112
339E60.7Low75.6Confident114 Ų11462 Ų6253%0.53333%0.333SS..SBendtrans-78.1152.7178.1-75.4172.3-176.200111.5K33 F337K33-E339 IonicContact NZ-OE1 2.82Å; K33-E339 PolarHBondContact NZ-OE1 3.46Å; K33-E339 IonicContact NZ-OE2 3.56Å; K33-E339 PolarHBondContact NZ-OE2 3.48Å; F337-E339 PolarHBondContact O-N 3.5Å
340P62.3Low74.8Confident96 Ų9670.1 Ų70.162%0.62338%0.376SS*.  trans-58.2135.5178.323.8-33.4000110.5V342P340-V342 PolarHBondContact O-N 2.94Å
341P68.1Low74.5Confident55 Ų5578 Ų7836%0.35741%0.405SS..SBendtrans-59.3-20.2-178.917.8-28.8000113.3S358 I359 I360P341-S358 WeakPolarHBondContact CB-O 3.35Å; P341-I359 CarbonylContact O-C 3.59Å; P341-I359 VanDerWaalsContact O-CA 3.29Å; P341-I359 WeakPolarHBondContact O-CA 3.19Å; P341-I360 PolarHBondContact O-N 2.95Å
342V77.2Confident74.5Confident46 Ų4675.2 Ų75.228%0.27940%0.398SS..BIsolated β-bridgetrans-113.7121.4-178.2-177.20000109.6P340 A346 I348 V354 I360P340-V342 PolarHBondContact O-N 2.94Å; V342-A346 HydrophobicContact CG1-CB 4.47Å; V342-I348 HydrophobicContact CG1-CD1 3.47Å; V342-I348 VanDerWaalsContact CG1-CD1 3.47Å; V342-V354 HydrophobicContact CG2-CG1 4.41Å; V342-I360 HydrophobicContact CG1-CB 4.47Å; V342-I360 HydrophobicContact CG1-CD1 4.4Å; V342-I360 HydrophobicContact CG2-CD1 4.05Å
343H77.3Confident74.6Confident67 Ų6780.6 Ų80.631%0.3142%0.423SS..  trans-70.2135.9174.3-166.8-86.9000111.3S345 A346 I360 E362H343-S345 PolarHBondContact CE1-OG 3.28Å; H343-S345 PolarHBondContact ND1-N 3.46Å; H343-S345 VanDerWaalsContact ND1-N 3.19Å; H343-S345 PolarHBondContact ND1-OG 2.95Å; H343-S345 PolarHBondContact O-N 3.41Å; H343-S345 VanDerWaalsContact O-N 3.07Å; H343-A346 WeakPolarHBondContact O-CB 3.31Å; H343-A346 PolarHBondContact O-N 3.48Å; H343-I360 PolarHBondContact N-O 3.46Å; H343-E362 IonicContact CE1-OE1 3.82Å; H343-E362 IonicContact NE2-OE1 3.49Å
344P73.5Confident74.8Confident117 Ų11782.9 Ų82.976%0.7644%0.437SS*.THydrogen-bonded Turntrans-63.8-16.6-175.423.8-35.8000115.1A346P344-A346 VanDerWaalsContact C-N 3.33Å
345S79.3Confident75.1Confident48 Ų4882.2 Ų82.234%0.33644%0.437SS..THydrogen-bonded Turntrans-85.8-1.8175.871.60000114.2H343 E362 R363H343-S345 PolarHBondContact CE1-OG 3.28Å; H343-S345 PolarHBondContact ND1-N 3.46Å; H343-S345 VanDerWaalsContact ND1-N 3.19Å; H343-S345 PolarHBondContact ND1-OG 2.95Å; H343-S345 PolarHBondContact O-N 3.41Å; H343-S345 VanDerWaalsContact O-N 3.07Å; S345-E362 WeakPolarHBondContact OG-CA 3.35Å; S345-E362 WeakPolarHBondContact OG-CB 3.43Å; S345-R363 PolarHBondContact OG-N 3.03Å; S345-R363 VanDerWaalsContact OG-N 3.16Å
346A79.8Confident75.3Confident16 Ų1679.3 Ų79.313%0.13244%0.437CS..  trans-75.6133.3176.100000110.4V342 H343 P344 I348 I360 C364V342-A346 HydrophobicContact CG1-CB 4.47Å; H343-A346 WeakPolarHBondContact O-CB 3.31Å; H343-A346 PolarHBondContact O-N 3.48Å; P344-A346 VanDerWaalsContact C-N 3.33Å; A346-I348 HydrophobicContact CB-CG1 4.3Å; A346-I360 HydrophobicContact CB-CG2 3.84Å; A346-C364 HydrophobicContact CB-CB 4.43Å
347V82.2Confident75.9Confident98 Ų9881.7 Ų81.759%0.59445%0.449SS*.EExtended strand (participates in β ladder)trans-92.3106.2175.6-179.10000107.6C364 L366V347-C364 PolarHBondContact N-O 3.32Å; V347-L366 PolarHBondContact O-N 3.27Å
348I81.2Confident76.9Confident62 Ų6280.4 Ų80.432%0.31844%0.444SS..EExtended strand (participates in β ladder)trans-111127.7-179-50.7-176.7000108.5V342 A346 C352 I360 L366V342-I348 HydrophobicContact CG1-CD1 3.47Å; V342-I348 VanDerWaalsContact CG1-CD1 3.47Å; A346-I348 HydrophobicContact CB-CG1 4.3Å; I348-C352 HydrophobicContact CG2-CB 3.6Å; I348-I360 HydrophobicContact CD1-CD1 4.15Å; I348-L366 HydrophobicContact CD1-CD1 4.5Å; I348-L366 HydrophobicContact CG1-CD1 4.23Å
349S81.2Confident78.3Confident28 Ų2871.4 Ų71.420%0.19640%0.402CS..  trans-76148.1173.156.70000112.3R351 C352 L366 A367 E368S349-R351 PolarHBondContact O-N 3.24Å; S349-C352 VanDerWaalsContact O-CB 3.28Å; S349-C352 WeakPolarHBondContact O-CB 3.47Å; S349-C352 PolarHBondContact O-N 3.26Å; S349-L366 PolarHBondContact N-O 2.95Å; S349-L366 PolarHBondContact OG-O 3.28Å; S349-A367 PolarHBondContact OG-O 2.98Å; S349-A367 VanDerWaalsContact OG-O 3.12Å; S349-E368 WeakPolarHBondContact OG-CA 3.45Å; S349-E368 PolarHBondContact OG-N 3.05Å
350D70.5Confident79.6Confident171 Ų17166.1 Ų66.191%0.91438%0.378SS*.THydrogen-bonded Turntrans-59.5-20-171.3-66.8-24000115.2
351R80.4Confident80.6Confident169 Ų16961.7 Ų61.764%0.63835%0.349SS*.THydrogen-bonded Turntrans-100.612179.5-61.4-172.2-164.5-142.87114.1S349S349-R351 PolarHBondContact O-N 3.24Å
352C82.3Confident81.5Confident24 Ų2462.2 Ų62.216%0.16235%0.347CS..  trans-78.8136.7178.1-174.50000111.3I348 S349 T370I348-C352 HydrophobicContact CG2-CB 3.6Å; S349-C352 VanDerWaalsContact O-CB 3.28Å; S349-C352 WeakPolarHBondContact O-CB 3.47Å; S349-C352 PolarHBondContact O-N 3.26Å; C352-T370 PolarHBondContact SG-OG1 3.36Å
353Q84.5Confident82Confident131 Ų13168.1 Ų68.161%0.61236%0.364SS*.EExtended strand (participates in β ladder)trans-104.8106172.6-66.6-176.9-0.800109.8T370 S371 I372Q353-T370 PolarHBondContact N-O 3.16Å; Q353-S371 WeakPolarHBondContact O-CA 3.47Å; Q353-I372 PolarHBondContact O-N 3.14Å
354V84.9Confident82.5Confident48 Ų4864.9 Ų64.929%0.29135%0.349SS..EExtended strand (participates in β ladder)trans-107.3123.7175.5-174.60000109V342 I360 L366V342-V354 HydrophobicContact CG2-CG1 4.41Å; V354-I360 HydrophobicContact CB-CD1 4.39Å; V354-I360 HydrophobicContact CG1-CD1 3.65Å; V354-I360 HydrophobicContact CG1-CG1 4.5Å; V354-I360 HydrophobicContact CG2-CD1 3.8Å; V354-L366 HydrophobicContact CG2-CD1 4.47Å
355G81.9Confident83.3Confident23 Ų2364.4 Ų64.424%0.23734%0.337CS..  trans-71.6149.9172.600000112.2D357 S358 I372G355-D357 PolarHBondContact O-N 2.94Å; G355-S358 WeakPolarHBondContact O-CB 3.46Å; G355-S358 PolarHBondContact O-N 3.48Å; G355-S358 VanDerWaalsContact O-N 3.14Å; G355-I372 PolarHBondContact N-O 3.47Å
356S80.2Confident83.8Confident95 Ų9562.5 Ų62.566%0.66432%0.323SS*.THydrogen-bonded Turntrans-56.9-29.1177.452.10000114S358S356-S358 VanDerWaalsContact C-N 3.29Å; S356-S358 PolarHBondContact O-N 2.63Å
357D82.6Confident84.3Confident77 Ų7763.1 Ų63.141%0.41233%0.328SS..THydrogen-bonded Turntrans-90.97.6-174.9-49.5-16.7000112.4P334 G355 R374P334-D357 WeakPolarHBondContact CG-O 3.18Å; G355-D357 PolarHBondContact O-N 2.94Å; D357-R374 HydrophobicContact CB-CG 3.95Å; D357-R374 IonicContact OD2-NE 2.86Å
358S86.2Confident84.6Confident0 Ų062.3 Ų62.30%032%0.318CS..  trans-102.3138.2-177.7-59.90000110.5P341 G355 S356 I372 R374 S375P341-S358 WeakPolarHBondContact CB-O 3.35Å; G355-S358 WeakPolarHBondContact O-CB 3.46Å; G355-S358 PolarHBondContact O-N 3.48Å; G355-S358 VanDerWaalsContact O-N 3.14Å; S356-S358 VanDerWaalsContact C-N 3.29Å; S356-S358 PolarHBondContact O-N 2.63Å; S358-I372 PolarHBondContact OG-O 2.96Å; S358-R374 PolarHBondContact OG-N 3.46Å; S358-S375 CarbonylContact C-O 3.59Å; S358-S375 WeakPolarHBondContact CA-O 3.22Å; S358-S375 VanDerWaalsContact CB-O 3.29Å; S358-S375 WeakPolarHBondContact CB-O 3.37Å; S358-S375 PolarHBondContact OG-N 3.47Å
359I87.8Confident84.9Confident15 Ų1565 Ų658%0.07733%0.327CS..EExtended strand (participates in β ladder)trans-106.7128.5178.4-56.8172.9000109.1N32 A333 P334 F337 P341 S375 T376 I377N32-I359 HydrophobicContact CB-CG2 4.45Å; N32-I359 WeakPolarHBondContact ND2-CG2 3.25Å; A333-I359 HydrophobicContact CB-CD1 4.01Å; P334-I359 HydrophobicContact CB-CD1 4.49Å; P334-I359 HydrophobicContact CG-CD1 3.89Å; P334-I359 HydrophobicContact CG-CG1 4.03Å; F337-I359 HydrophobicContact CD2-CD1 4.17Å; P341-I359 CarbonylContact O-C 3.59Å; P341-I359 VanDerWaalsContact O-CA 3.29Å; P341-I359 WeakPolarHBondContact O-CA 3.19Å; I359-S375 PolarHBondContact N-O 3.39Å; I359-T376 HydrophobicContact CB-CG2 4.28Å; I359-T376 WeakPolarHBondContact O-CA 3.48Å; I359-I377 PolarHBondContact O-N 3.25Å
360I88.4Confident85.3Confident3 Ų363.7 Ų63.72%0.01532%0.318CS..EExtended strand (participates in β ladder)trans-115.2127.1177.7-60.8168000110.1P341 V342 H343 A346 I348 V354 C364 L366P341-I360 PolarHBondContact O-N 2.95Å; V342-I360 HydrophobicContact CG1-CB 4.47Å; V342-I360 HydrophobicContact CG1-CD1 4.4Å; V342-I360 HydrophobicContact CG2-CD1 4.05Å; H343-I360 PolarHBondContact N-O 3.46Å; A346-I360 HydrophobicContact CB-CG2 3.84Å; I348-I360 HydrophobicContact CD1-CD1 4.15Å; V354-I360 HydrophobicContact CB-CD1 4.39Å; V354-I360 HydrophobicContact CG1-CD1 3.65Å; V354-I360 HydrophobicContact CG1-CG1 4.5Å; V354-I360 HydrophobicContact CG2-CD1 3.8Å; I360-C364 HydrophobicContact CG2-CB 3.77Å; I360-L366 HydrophobicContact CD1-CD1 3.58Å; I360-L366 HydrophobicContact CG1-CD1 4.41Å
361G84.3Confident86.3Confident3 Ų356.5 Ų56.53%0.03128%0.281CS..  trans-77.2170.9-178.400000114N32 C364 I377N32-G361 WeakPolarHBondContact ND2-CA 3.05Å; N32-G361 PolarHBondContact ND2-N 2.85Å; G361-C364 PolarHBondContact O-SG 3.01Å; G361-I377 WeakPolarHBondContact CA-O 3.23Å; G361-I377 PolarHBondContact N-O 2.85Å
362E86.1Confident86.8Confident65 Ų6548.5 Ų48.530%0.30425%0.251SS..THydrogen-bonded Turntrans-60.6147.6176.6-48.8-169.6177.700112.2H343 S345 C364 I379 S380H343-E362 IonicContact CE1-OE1 3.82Å; H343-E362 IonicContact NE2-OE1 3.49Å; S345-E362 WeakPolarHBondContact OG-CA 3.35Å; S345-E362 WeakPolarHBondContact OG-CB 3.43Å; E362-C364 PolarHBondContact O-N 2.88Å; E362-I379 HydrophobicContact CB-CG1 4.12Å; E362-I379 HydrophobicContact CB-CG2 4.16Å; E362-I379 HydrophobicContact CG-CG1 4.3Å; E362-I379 WeakPolarHBondContact O-CA 3.48Å; E362-I379 WeakPolarHBondContact O-CG2 3.46Å; E362-S380 PolarHBondContact O-N 2.71Å
363R87.1Confident87.1Confident170 Ų17052.9 Ų52.964%0.64227%0.267SS*.THydrogen-bonded Turntrans5519.8173.7-55179.9-175.7152.62.2114.7S345S345-R363 PolarHBondContact OG-N 3.03Å; S345-R363 VanDerWaalsContact OG-N 3.16Å
364C88.3Confident87.3Confident0 Ų054.5 Ų54.50%027%0.268CS..  trans-68.9142.2172-710000110.2A346 V347 I360 G361 E362 G378 S381A346-C364 HydrophobicContact CB-CB 4.43Å; V347-C364 PolarHBondContact N-O 3.32Å; I360-C364 HydrophobicContact CG2-CB 3.77Å; G361-C364 PolarHBondContact O-SG 3.01Å; E362-C364 PolarHBondContact O-N 2.88Å; C364-G378 PolarHBondContact SG-O 3.45Å; C364-S381 WeakPolarHBondContact CA-O 3.44Å
365Q90.3Very high87.5Confident107 Ų10752.3 Ų52.350%0.525%0.254SS..EExtended strand (participates in β ladder)trans-112.5115.6174.8-65.9179.9-000108.5S381 N382 V383Q365-S381 PolarHBondContact N-O 2.92Å; Q365-N382 PolarHBondContact OE1-ND2 2.98Å; Q365-V383 PolarHBondContact O-N 3.24Å
366L90.4Very high87.9Confident7 Ų751.6 Ų51.64%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-113.7109.3179.1-62.2-178.1000110.5V347 I348 S349 V354 I360 I372 I377 V383V347-L366 PolarHBondContact O-N 3.27Å; I348-L366 HydrophobicContact CD1-CD1 4.5Å; I348-L366 HydrophobicContact CG1-CD1 4.23Å; S349-L366 PolarHBondContact N-O 2.95Å; S349-L366 PolarHBondContact OG-O 3.28Å; V354-L366 HydrophobicContact CG2-CD1 4.47Å; I360-L366 HydrophobicContact CD1-CD1 3.58Å; I360-L366 HydrophobicContact CG1-CD1 4.41Å; L366-I372 HydrophobicContact CD1-CD1 3.66Å; L366-I372 HydrophobicContact CD2-CD1 3.77Å; L366-I372 HydrophobicContact CG-CD1 4.37Å; L366-I377 HydrophobicContact CD2-CD1 4.16Å; L366-V383 HydrophobicContact CD2-CB 3.63Å; L366-V383 HydrophobicContact CD2-CG1 4.4Å; L366-V383 HydrophobicContact CD2-CG2 3.58Å
367A88.9Confident88.4Confident29 Ų2947.1 Ų47.124%0.2421%0.214CC..  trans-75.1174.2178.300000113S349 T370 V383 E385S349-A367 PolarHBondContact OG-O 2.98Å; S349-A367 VanDerWaalsContact OG-O 3.12Å; A367-T370 WeakPolarHBondContact O-CG2 3.43Å; A367-T370 PolarHBondContact O-OG1 3.48Å; A367-V383 VanDerWaalsContact CB-O 3.32Å; A367-V383 WeakPolarHBondContact CB-O 3.42Å; A367-V383 PolarHBondContact N-O 3.15Å; A367-E385 HydrophobicContact CB-CG 3.9Å
368E88.7Confident88.7Confident82 Ų8243.4 Ų43.438%0.38319%0.194SC..THydrogen-bonded Turntrans-65.9155.3-172.9-65.5-165.7178.700113.6S349 T370 E385 K386S349-E368 WeakPolarHBondContact OG-CA 3.45Å; S349-E368 PolarHBondContact OG-N 3.05Å; E368-T370 PolarHBondContact O-N 3.09Å; E368-E385 WeakPolarHBondContact O-CA 3.45Å; E368-K386 PolarHBondContact O-N 2.83Å
369K87.7Confident88.8Confident117 Ų11744.4 Ų44.451%0.50920%0.199SC..THydrogen-bonded Turntrans59.425.6175.2-56.1172.5-176.7165.20113.7K386K369-K386 HydrophobicContact CB-CG 4.41Å; K369-K386 HydrophobicContact CD-CG 4.43Å
370T89.9Confident88.9Confident2 Ų246.2 Ų46.21%0.01221%0.213CC..  trans-88142.4175.149.60000110.4C352 Q353 A367 E368 V383 K384 V387C352-T370 PolarHBondContact SG-OG1 3.36Å; Q353-T370 PolarHBondContact N-O 3.16Å; A367-T370 WeakPolarHBondContact O-CG2 3.43Å; A367-T370 PolarHBondContact O-OG1 3.48Å; E368-T370 PolarHBondContact O-N 3.09Å; T370-V383 HydrophobicContact CG2-CG1 4.08Å; T370-K384 WeakPolarHBondContact CG2-O 3.29Å; T370-V387 VanDerWaalsContact CA-O 3.29Å; T370-V387 WeakPolarHBondContact CA-O 3.34Å; T370-V387 HydrophobicContact CG2-CB 4.14Å
371S90.9Very high89Confident20 Ų2046.1 Ų46.114%0.1421%0.213CC..EExtended strand (participates in β ladder)trans-127.1116178.1163.40000109.8Q353 V387 K388 V389Q353-S371 WeakPolarHBondContact O-CA 3.47Å; S371-V387 PolarHBondContact N-O 2.97Å; S371-K388 WeakPolarHBondContact O-CA 3.45Å; S371-V389 PolarHBondContact O-N 3.03Å
372I91.1Very high89.5Confident1 Ų148.4 Ų48.41%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-119.7115.1-178.1-59156.3000109.1Q353 G355 S358 L366 I377 V389Q353-I372 PolarHBondContact O-N 3.14Å; G355-I372 PolarHBondContact N-O 3.47Å; S358-I372 PolarHBondContact OG-O 2.96Å; L366-I372 HydrophobicContact CD1-CD1 3.66Å; L366-I372 HydrophobicContact CD2-CD1 3.77Å; L366-I372 HydrophobicContact CG-CD1 4.37Å; I372-I377 HydrophobicContact CD1-CD1 3.39Å; I372-I377 HydrophobicContact CG1-CD1 3.96Å; I372-I377 HydrophobicContact CG2-CD1 4.01Å; I372-V389 WeakPolarHBondContact CA-O 3.39Å; I372-V389 HydrophobicContact CG1-CB 4.45Å
373K89.6Confident89.8Confident115 Ų11545.4 Ų45.450%0.521%0.21SC..EExtended strand (participates in β ladder)trans-126.5128.3-178.9-61.5-178.1-178.1-179.40111.1S375 V389 T390 N391K373-S375 PolarHBondContact O-N 3.18Å; K373-S375 PolarHBondContact O-OG 3.31Å; K373-V389 PolarHBondContact N-O 2.96Å; K373-T390 HydrophobicContact CB-CG2 4.46Å; K373-T390 WeakPolarHBondContact O-CA 3.4Å; K373-N391 PolarHBondContact O-N 3.18Å
374R87.4Confident90.1Very high166 Ų16639.8 Ų39.863%0.62619%0.191SC*.SBendtrans49.841178-62.9179.1176.7163.10.4112.7D357 S358 N391D357-R374 HydrophobicContact CB-CG 3.95Å; D357-R374 IonicContact OD2-NE 2.86Å; S358-R374 PolarHBondContact OG-N 3.46Å; R374-N391 VanDerWaalsContact O-CA 3.28Å; R374-N391 WeakPolarHBondContact O-CA 3.42Å
375S90.2Very high90.2Very high1 Ų143.6 Ų43.61%0.00721%0.209CC..  trans-129.4146.9-172.4-60.10000110.9S358 I359 K373 N391 S392S358-S375 CarbonylContact C-O 3.59Å; S358-S375 WeakPolarHBondContact CA-O 3.22Å; S358-S375 VanDerWaalsContact CB-O 3.29Å; S358-S375 WeakPolarHBondContact CB-O 3.37Å; S358-S375 PolarHBondContact OG-N 3.47Å; I359-S375 PolarHBondContact N-O 3.39Å; K373-S375 PolarHBondContact O-N 3.18Å; K373-S375 PolarHBondContact O-OG 3.31Å; S375-N391 PolarHBondContact OG-N 3.43Å; S375-N391 VanDerWaalsContact OG-N 3.12Å; S375-S392 WeakPolarHBondContact CA-O 3.38Å; S375-S392 WeakPolarHBondContact CB-O 3.41Å; S375-S392 PolarHBondContact OG-N 3.07Å; S375-S392 VanDerWaalsContact OG-N 3.1Å
376T90.1Very high90.3Very high8 Ų844.6 Ų44.65%0.04921%0.211CC..EExtended strand (participates in β ladder)trans-105123.5177.4-58.40000108.2I359 S392 V394I359-T376 HydrophobicContact CB-CG2 4.28Å; I359-T376 WeakPolarHBondContact O-CA 3.48Å; T376-S392 PolarHBondContact N-O 2.76Å; T376-S392 VanDerWaalsContact N-O 3.1Å; T376-V394 PolarHBondContact O-N 3.4Å
377I91.1Very high90.4Very high1 Ų144.3 Ų44.31%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-111.6118.2176.4-58.4-179.3000109N32 I359 G361 L366 I372 V383N32-I377 PolarHBondContact ND2-O 2.86Å; N32-I377 PolarHBondContact OD1-O 3.1Å; I359-I377 PolarHBondContact O-N 3.25Å; G361-I377 WeakPolarHBondContact CA-O 3.23Å; G361-I377 PolarHBondContact N-O 2.85Å; L366-I377 HydrophobicContact CD2-CD1 4.16Å; I372-I377 HydrophobicContact CD1-CD1 3.39Å; I372-I377 HydrophobicContact CG1-CD1 3.96Å; I372-I377 HydrophobicContact CG2-CD1 4.01Å; I377-V383 HydrophobicContact CD1-CG2 4.47Å
378G87.6Confident90.6Very high0 Ų048.8 Ų48.80%022%0.224CC..  trans-75.4166.317800000113.7N32 C364 S381 V394 M395N32-G378 VanDerWaalsContact OD1-CA 3.31Å; N32-G378 WeakPolarHBondContact OD1-CA 3.32Å; C364-G378 PolarHBondContact SG-O 3.45Å; G378-S381 VanDerWaalsContact O-CB 3.29Å; G378-S381 WeakPolarHBondContact O-CB 3.39Å; G378-S381 PolarHBondContact O-OG 3.11Å; G378-V394 PolarHBondContact N-O 3.45Å; G378-M395 CarbonylContact C-O 3.53Å; G378-M395 WeakPolarHBondContact CA-O 3.47Å; G378-M395 PolarHBondContact N-O 3.22Å
379I88.4Confident90.8Very high21 Ų2145 Ų4511%0.10821%0.206CC..THydrogen-bonded Turntrans-63148.5-168.4-65.5151.8000112.5E362 S381 S397E362-I379 HydrophobicContact CB-CG1 4.12Å; E362-I379 HydrophobicContact CB-CG2 4.16Å; E362-I379 HydrophobicContact CG-CG1 4.3Å; E362-I379 WeakPolarHBondContact O-CA 3.48Å; E362-I379 WeakPolarHBondContact O-CG2 3.46Å; I379-S381 PolarHBondContact O-N 2.9Å; I379-S381 VanDerWaalsContact O-N 3.09Å; I379-S397 PolarHBondContact O-N 3.42Å
380S89.4Confident91Very high53 Ų5341.2 Ų41.237%0.37119%0.193SC..THydrogen-bonded Turntrans56.521.8178.5-570000113.9E362E362-S380 PolarHBondContact O-N 2.71Å
381S92.1Very high91Very high1 Ų143 Ų431%0.00720%0.202CC..  trans-79.4141.1175.4-600000110.9C364 Q365 G378 I379 M395 V398C364-S381 WeakPolarHBondContact CA-O 3.44Å; Q365-S381 PolarHBondContact N-O 2.92Å; G378-S381 VanDerWaalsContact O-CB 3.29Å; G378-S381 WeakPolarHBondContact O-CB 3.39Å; G378-S381 PolarHBondContact O-OG 3.11Å; I379-S381 PolarHBondContact O-N 2.9Å; I379-S381 VanDerWaalsContact O-N 3.09Å; S381-M395 PolarHBondContact OG-O 3.2Å; S381-V398 CarbonylContact C-O 3.28Å; S381-V398 VanDerWaalsContact CA-O 3.26Å; S381-V398 WeakPolarHBondContact CA-O 3.33Å; S381-V398 WeakPolarHBondContact CB-O 3.32Å; S381-V398 PolarHBondContact OG-N 3.21Å
382N93.4Very high91.1Very high51 Ų5142.1 Ų42.127%0.27320%0.196SC..EExtended strand (participates in β ladder)trans-112.2118.5179.3-168.3-16.7000109.5Q365 V398 T399 I400Q365-N382 PolarHBondContact OE1-ND2 2.98Å; N382-V398 PolarHBondContact N-O 3.09Å; N382-T399 WeakPolarHBondContact O-CA 3.27Å; N382-I400 PolarHBondContact O-N 3.46Å
383V93.2Very high91.1Very high1 Ų142.6 Ų42.61%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-115.8114.1178.7-1730000108.7Q365 L366 A367 T370 I377 V387 I400Q365-V383 PolarHBondContact O-N 3.24Å; L366-V383 HydrophobicContact CD2-CB 3.63Å; L366-V383 HydrophobicContact CD2-CG1 4.4Å; L366-V383 HydrophobicContact CD2-CG2 3.58Å; A367-V383 VanDerWaalsContact CB-O 3.32Å; A367-V383 WeakPolarHBondContact CB-O 3.42Å; A367-V383 PolarHBondContact N-O 3.15Å; T370-V383 HydrophobicContact CG2-CG1 4.08Å; I377-V383 HydrophobicContact CD1-CG2 4.47Å; V383-V387 HydrophobicContact CG1-CB 3.71Å; V383-V387 HydrophobicContact CG1-CG1 3.8Å; V383-V387 HydrophobicContact CG1-CG2 3.98Å; V383-I400 HydrophobicContact CG1-CB 4.46Å; V383-I400 HydrophobicContact CG2-CD1 4.16Å
384K92.7Very high91.2Very high52 Ų5237.2 Ų37.223%0.22618%0.175CC..  trans-79.7-177.5-179.4-62.2-163.7-173.81780113T370 V387 I400 E401 E402T370-K384 WeakPolarHBondContact CG2-O 3.29Å; K384-V387 VanDerWaalsContact O-CG2 3.27Å; K384-V387 WeakPolarHBondContact O-CG2 3.42Å; K384-I400 WeakPolarHBondContact CB-O 3.33Å; K384-I400 WeakPolarHBondContact CG-O 3.29Å; K384-I400 PolarHBondContact N-O 3.11Å; K384-E401 WeakPolarHBondContact CD-OE2 3.43Å; K384-E401 VanDerWaalsContact CE-OE1 3.22Å; K384-E401 WeakPolarHBondContact CE-OE1 3.45Å; K384-E401 WeakPolarHBondContact CE-OE2 3.37Å; K384-E401 IonicContact NZ-OE1 2.89Å; K384-E401 PolarHBondContact NZ-OE1 3.33Å; K384-E401 IonicContact NZ-OE2 3.86Å; K384-E401 PolarHBondContact NZ-OE2 2.65Å; K384-E402 HydrophobicContact CB-CG 3.7Å; K384-E402 HydrophobicContact CD-CG 4.1Å
385E91.8Very high91.4Very high81 Ų8129.3 Ų29.338%0.37915%0.146SC..THydrogen-bonded Turntrans-64.6152.2-171.4-63.4-174.5-171.400113.4A367 E368 V387 E402 G403A367-E385 HydrophobicContact CB-CG 3.9Å; E368-E385 WeakPolarHBondContact O-CA 3.45Å; E385-V387 PolarHBondContact O-N 3.32Å; E385-E402 HydrophobicContact CB-CG 4.4Å; E385-E402 WeakPolarHBondContact O-CA 3.46Å; E385-G403 PolarHBondContact O-N 2.93Å
386K90.9Very high91.4Very high127 Ų12731 Ų3155%0.55215%0.153SC*.THydrogen-bonded Turntrans59.923.5173.5-55.3174.8-175.4167.10114.9E368 K369E368-K386 PolarHBondContact O-N 2.83Å; K369-K386 HydrophobicContact CB-CG 4.41Å; K369-K386 HydrophobicContact CD-CG 4.43Å
387V93.3Very high91.4Very high1 Ų133.1 Ų33.11%0.00617%0.169CC..  trans-83.5137.9177.3177.30000111.3T370 S371 V383 K384 E385 V389 I400 E401 C404T370-V387 VanDerWaalsContact CA-O 3.29Å; T370-V387 WeakPolarHBondContact CA-O 3.34Å; T370-V387 HydrophobicContact CG2-CB 4.14Å; S371-V387 PolarHBondContact N-O 2.97Å; V383-V387 HydrophobicContact CG1-CB 3.71Å; V383-V387 HydrophobicContact CG1-CG1 3.8Å; V383-V387 HydrophobicContact CG1-CG2 3.98Å; K384-V387 VanDerWaalsContact O-CG2 3.27Å; K384-V387 WeakPolarHBondContact O-CG2 3.42Å; E385-V387 PolarHBondContact O-N 3.32Å; V387-V389 HydrophobicContact CG1-CG2 3.71Å; V387-I400 HydrophobicContact CG1-CG2 3.82Å; V387-I400 HydrophobicContact CG2-CG2 3.97Å; V387-E401 VanDerWaalsContact CG2-O 3.22Å; V387-E401 WeakPolarHBondContact CG2-O 3.36Å; V387-C404 WeakPolarHBondContact CA-O 3.35Å; V387-C404 HydrophobicContact CG1-CB 4.33Å; V387-C404 HydrophobicContact CG2-CB 4.32Å
388K93.6Very high91.5Very high124 Ų12433 Ų3354%0.53917%0.168SC..EExtended strand (participates in β ladder)trans-115.8120.5172.2-65.2177.5-175.2171.90109.5S371 C404 I406S371-K388 WeakPolarHBondContact O-CA 3.45Å; K388-C404 PolarHBondContact N-O 2.91Å; K388-I406 PolarHBondContact O-N 3.2Å
389V93.3Very high91.8Very high1 Ų135 Ų351%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-121.4122.5177-169.30000108.9S371 I372 K373 V387 I406S371-V389 PolarHBondContact O-N 3.03Å; I372-V389 WeakPolarHBondContact CA-O 3.39Å; I372-V389 HydrophobicContact CG1-CB 4.45Å; K373-V389 PolarHBondContact N-O 2.96Å; V387-V389 HydrophobicContact CG1-CG2 3.71Å; V389-I406 WeakPolarHBondContact CA-O 3.28Å; V389-I406 HydrophobicContact CG2-CD1 4.45Å
390T92Very high92.1Very high39 Ų3934.1 Ų34.124%0.23918%0.176CC..EExtended strand (participates in β ladder)trans-133.3131-177.957.50000110.9K373 S392 I406 Q407 G408K373-T390 HydrophobicContact CB-CG2 4.46Å; K373-T390 WeakPolarHBondContact O-CA 3.4Å; T390-S392 PolarHBondContact O-N 3.49Å; T390-S392 PolarHBondContact O-OG 2.69Å; T390-I406 PolarHBondContact N-O 3.1Å; T390-I406 PolarHBondContact OG1-O 3.06Å; T390-Q407 WeakPolarHBondContact O-CA 3.19Å; T390-Q407 WeakPolarHBondContact OG1-CB 3.4Å; T390-Q407 WeakPolarHBondContact OG1-CG 3.35Å; T390-G408 PolarHBondContact O-N 3.14Å
391N89.4Confident92.3Very high38 Ų3833.1 Ų33.120%0.20317%0.165CC..SBendtrans46.538.7176.8-153.543.4000114.3E144 K373 R374 S375 G408E144-N391 VanDerWaalsContact CD-ND2 3.33Å; E144-N391 PolarHBondContact OE1-ND2 3.03Å; E144-N391 PolarHBondContact OE2-ND2 3.33Å; K373-N391 PolarHBondContact O-N 3.18Å; R374-N391 VanDerWaalsContact O-CA 3.28Å; R374-N391 WeakPolarHBondContact O-CA 3.42Å; S375-N391 PolarHBondContact OG-N 3.43Å; S375-N391 VanDerWaalsContact OG-N 3.12Å; N391-G408 WeakPolarHBondContact O-CA 3.47Å; N391-G408 PolarHBondContact O-N 3.07Å
392S91.5Very high92.4Very high2 Ų236.9 Ų36.91%0.01418%0.183CC..  trans-123.3152.3-170.6-61.90000111.2S375 T376 T390 G408 S409S375-S392 WeakPolarHBondContact CA-O 3.38Å; S375-S392 WeakPolarHBondContact CB-O 3.41Å; S375-S392 PolarHBondContact OG-N 3.07Å; S375-S392 VanDerWaalsContact OG-N 3.1Å; T376-S392 PolarHBondContact N-O 2.76Å; T376-S392 VanDerWaalsContact N-O 3.1Å; T390-S392 PolarHBondContact O-N 3.49Å; T390-S392 PolarHBondContact O-OG 2.69Å; S392-G408 PolarHBondContact OG-N 3.39Å; S392-G408 VanDerWaalsContact OG-N 3.12Å; S392-S409 CarbonylContact C-O 3.58Å; S392-S409 VanDerWaalsContact CA-O 3.26Å; S392-S409 WeakPolarHBondContact CA-O 3.33Å; S392-S409 VanDerWaalsContact CB-O 3.23Å; S392-S409 WeakPolarHBondContact CB-O 3.44Å; S392-S409 PolarHBondContact OG-N 3.35Å; S392-S409 VanDerWaalsContact OG-N 3.13Å
393I91.9Very high92.2Very high11 Ų1136.2 Ų36.26%0.05619%0.188CC..EExtended strand (participates in β ladder)trans-113.9114.8179.7-61.3159.9000107.6Y326 I327 N330 S409 V410 I411Y326-I393 HydrophobicContact CD1-CD1 4.33Å; Y326-I393 HydrophobicContact CE1-CD1 4.08Å; Y326-I393 HydrophobicContact CE1-CG2 4.2Å; I327-I393 HydrophobicContact CB-CD1 4.31Å; I327-I393 HydrophobicContact CG1-CD1 4.04Å; I327-I393 HydrophobicContact CG2-CD1 4.45Å; N330-I393 HydrophobicContact CB-CD1 3.53Å; N330-I393 HydrophobicContact CB-CG1 3.91Å; I393-S409 PolarHBondContact N-O 3.32Å; I393-V410 HydrophobicContact CB-CG1 4.47Å; I393-V410 HydrophobicContact CB-CG2 4.39Å; I393-V410 HydrophobicContact CD1-CG2 4.25Å; I393-V410 WeakPolarHBondContact O-CA 3.34Å; I393-I411 PolarHBondContact O-N 3.29Å
394V92.3Very high92.2Very high2 Ų236.2 Ų36.21%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-107.8120.8176.1-178.30000107.4T376 G378 V398 I400 I411T376-V394 PolarHBondContact O-N 3.4Å; G378-V394 PolarHBondContact N-O 3.45Å; V394-V398 HydrophobicContact CG1-CB 3.54Å; V394-V398 HydrophobicContact CG1-CG1 3.79Å; V394-V398 HydrophobicContact CG1-CG2 3.69Å; V394-I400 HydrophobicContact CG2-CD1 4.3Å; V394-I411 HydrophobicContact CG2-CD1 3.98Å
395M90.8Very high92.3Very high1 Ų136 Ų361%0.00519%0.19CC..  trans-78.1-151.4177.8-63.2-167.4-171.700111.7L19 L28 P29 G378 S381 I411 C412 S413L19-M395 HydrophobicContact CD2-CE 3.78Å; L28-M395 HydrophobicContact CD2-CE 4.22Å; P29-M395 HydrophobicContact CG-CB 4.38Å; P29-M395 HydrophobicContact CG-CG 3.97Å; P29-M395 HydrophobicContact CG-SD 4.28Å; G378-M395 CarbonylContact C-O 3.53Å; G378-M395 WeakPolarHBondContact CA-O 3.47Å; G378-M395 PolarHBondContact N-O 3.22Å; S381-M395 PolarHBondContact OG-O 3.2Å; M395-I411 WeakPolarHBondContact CB-O 3.3Å; M395-I411 WeakPolarHBondContact CG-O 3.32Å; M395-I411 PolarHBondContact N-O 3.45Å; M395-C412 HydrophobicContact SD-CB 4.2Å; M395-S413 WeakPolarHBondContact CB-OG 3.16Å
396H90Very high92.3Very high35 Ų3532.2 Ų32.216%0.16217%0.172CC..THydrogen-bonded Turntrans-88.3147.4-170.6-56.482.7000112V398 S413 N414H396-V398 PolarHBondContact O-N 2.82Å; H396-S413 WeakPolarHBondContact O-CA 3.06Å; H396-S413 WeakPolarHBondContact O-CB 3.2Å; H396-N414 PolarHBondContact O-N 3.03Å
397S90.5Very high92.4Very high53 Ų5329.6 Ų29.637%0.37116%0.162SC..THydrogen-bonded Turntrans55.835.4172.8-54.70000113.6I379 N414I379-S397 PolarHBondContact O-N 3.42Å; S397-N414 WeakPolarHBondContact CB-OD1 3.27Å; S397-N414 WeakPolarHBondContact O-CA 3.44Å
398V92.8Very high92.1Very high0 Ų029.9 Ų29.90%017%0.165CC..  trans-86.7137178.3178.10000109.5S381 N382 V394 H396 I400 I411 C412 A415S381-V398 CarbonylContact C-O 3.28Å; S381-V398 VanDerWaalsContact CA-O 3.26Å; S381-V398 WeakPolarHBondContact CA-O 3.33Å; S381-V398 WeakPolarHBondContact CB-O 3.32Å; S381-V398 PolarHBondContact OG-N 3.21Å; N382-V398 PolarHBondContact N-O 3.09Å; V394-V398 HydrophobicContact CG1-CB 3.54Å; V394-V398 HydrophobicContact CG1-CG1 3.79Å; V394-V398 HydrophobicContact CG1-CG2 3.69Å; H396-V398 PolarHBondContact O-N 2.82Å; V398-I400 HydrophobicContact CG1-CG1 4Å; V398-I411 HydrophobicContact CG1-CG2 3.68Å; V398-I411 HydrophobicContact CG2-CG2 4.04Å; V398-C412 WeakPolarHBondContact CG2-O 3.49Å; V398-A415 WeakPolarHBondContact CA-O 3.32Å; V398-A415 WeakPolarHBondContact CG1-O 3.43Å
399T94Very high92Very high42 Ų4224 Ų2426%0.25814%0.14SC..EExtended strand (participates in β ladder)trans-109.1117.8173.5-56.80000109.9N382 A415 I416 I417N382-T399 WeakPolarHBondContact O-CA 3.27Å; T399-A415 PolarHBondContact N-O 3.35Å; T399-I416 WeakPolarHBondContact O-CA 3.1Å; T399-I417 PolarHBondContact O-N 2.98Å
400I94.4Very high91.8Very high1 Ų124.1 Ų24.11%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-109.4113.4177-48.4-178.7000108.3N382 V383 K384 V387 V394 V398 C404 I406 I417N382-I400 PolarHBondContact O-N 3.46Å; V383-I400 HydrophobicContact CG1-CB 4.46Å; V383-I400 HydrophobicContact CG2-CD1 4.16Å; K384-I400 WeakPolarHBondContact CB-O 3.33Å; K384-I400 WeakPolarHBondContact CG-O 3.29Å; K384-I400 PolarHBondContact N-O 3.11Å; V387-I400 HydrophobicContact CG1-CG2 3.82Å; V387-I400 HydrophobicContact CG2-CG2 3.97Å; V394-I400 HydrophobicContact CG2-CD1 4.3Å; V398-I400 HydrophobicContact CG1-CG1 4Å; I400-C404 HydrophobicContact CG2-CB 3.77Å; I400-I406 HydrophobicContact CD1-CD1 3.84Å; I400-I406 HydrophobicContact CG2-CD1 3.95Å; I400-I417 HydrophobicContact CG1-CD1 4.15Å; I400-I417 HydrophobicContact CG2-CB 4.39Å; I400-I417 HydrophobicContact CG2-CD1 4.47Å
401E94.3Very high91.8Very high32 Ų3222.2 Ų22.215%0.1513%0.129CC..  trans-73.8174.9179.7-69.7-74145.600113.1K384 V387 C404 I417 R419K384-E401 WeakPolarHBondContact CD-OE2 3.43Å; K384-E401 VanDerWaalsContact CE-OE1 3.22Å; K384-E401 WeakPolarHBondContact CE-OE1 3.45Å; K384-E401 WeakPolarHBondContact CE-OE2 3.37Å; K384-E401 IonicContact NZ-OE1 2.89Å; K384-E401 PolarHBondContact NZ-OE1 3.33Å; K384-E401 IonicContact NZ-OE2 3.86Å; K384-E401 PolarHBondContact NZ-OE2 2.65Å; V387-E401 VanDerWaalsContact CG2-O 3.22Å; V387-E401 WeakPolarHBondContact CG2-O 3.36Å; E401-C404 PolarHBondContact O-SG 2.94Å; E401-I417 WeakPolarHBondContact CB-O 3.44Å; E401-I417 WeakPolarHBondContact CG-O 3.45Å; E401-I417 PolarHBondContact N-O 3.42Å; E401-I417 VanDerWaalsContact N-O 3.11Å; E401-R419 HydrophobicContact CB-CB 4.34Å; E401-R419 HydrophobicContact CB-CG 3.62Å; E401-R419 HydrophobicContact CG-CG 4.19Å; E401-R419 IonicContact OE2-NE 2.59Å; E401-R419 PolarHBondContact OE2-NE 2.71Å; E401-R419 IonicContact OE2-NH2 2.69Å
402E93.4Very high91.8Very high80 Ų8020.6 Ų20.637%0.37412%0.12SC..THydrogen-bonded Turntrans-62.8142.8-173.4-66.1168.3-155.300113.1K384 E385 C404 R419 G420K384-E402 HydrophobicContact CB-CG 3.7Å; K384-E402 HydrophobicContact CD-CG 4.1Å; E385-E402 HydrophobicContact CB-CG 4.4Å; E385-E402 WeakPolarHBondContact O-CA 3.46Å; E402-C404 VanDerWaalsContact C-N 3.32Å; E402-C404 PolarHBondContact O-N 2.7Å; E402-R419 WeakPolarHBondContact O-CA 3.46Å; E402-G420 PolarHBondContact O-N 3.42Å
403G90.7Very high91.7Very high38 Ų3821.1 Ų21.139%0.39212%0.124SC..THydrogen-bonded Turntrans73.713.8170.600000116.1E385E385-G403 PolarHBondContact O-N 2.93Å
404C93.1Very high91.5Very high1 Ų124.5 Ų24.51%0.00714%0.142CC..  trans-73.5144.6178.8-59.10000112.5V387 K388 I400 E401 E402 I406 I417 G418 A421V387-C404 WeakPolarHBondContact CA-O 3.35Å; V387-C404 HydrophobicContact CG1-CB 4.33Å; V387-C404 HydrophobicContact CG2-CB 4.32Å; K388-C404 PolarHBondContact N-O 2.91Å; I400-C404 HydrophobicContact CG2-CB 3.77Å; E401-C404 PolarHBondContact O-SG 2.94Å; E402-C404 VanDerWaalsContact C-N 3.32Å; E402-C404 PolarHBondContact O-N 2.7Å; C404-I406 HydrophobicContact CB-CG1 4.47Å; C404-I417 HydrophobicContact CB-CG2 4.46Å; C404-G418 PolarHBondContact SG-O 3.3Å; C404-A421 CarbonylContact C-O 3.55Å; C404-A421 VanDerWaalsContact CA-O 3.3Å; C404-A421 WeakPolarHBondContact CA-O 3.46Å
405N93.8Very high91.5Very high48 Ų4824.4 Ų24.426%0.25714%0.142SC..EExtended strand (participates in β ladder)trans-119.1120.7170.1-17749.5000109.7A421 D422 L423N405-A421 PolarHBondContact N-O 3.21Å; N405-D422 WeakPolarHBondContact CB-OD1 3.47Å; N405-D422 PolarHBondContact ND2-OD1 2.94Å; N405-D422 CarbonylContact O-C 3.59Å; N405-D422 WeakPolarHBondContact O-CA 3.39Å; N405-L423 PolarHBondContact O-N 3.03Å
406I93Very high91.5Very high0 Ų027.6 Ų27.60%016%0.158CC..EExtended strand (participates in β ladder)trans-128.4121.8-173.4-53.8169.6000108.4K388 V389 T390 I400 C404 I411 I417 L423K388-I406 PolarHBondContact O-N 3.2Å; V389-I406 WeakPolarHBondContact CA-O 3.28Å; V389-I406 HydrophobicContact CG2-CD1 4.45Å; T390-I406 PolarHBondContact N-O 3.1Å; T390-I406 PolarHBondContact OG1-O 3.06Å; I400-I406 HydrophobicContact CD1-CD1 3.84Å; I400-I406 HydrophobicContact CG2-CD1 3.95Å; C404-I406 HydrophobicContact CB-CG1 4.47Å; I406-I411 HydrophobicContact CD1-CD1 3.92Å; I406-I411 HydrophobicContact CG2-CD1 3.89Å; I406-I417 HydrophobicContact CD1-CD1 3.59Å; I406-L423 WeakPolarHBondContact CA-O 3.37Å; I406-L423 HydrophobicContact CG1-CD1 4.43Å; I406-L423 HydrophobicContact CG2-CB 4.46Å
407Q91.7Very high91.7Very high72 Ų7225.9 Ų25.934%0.33615%0.15SC..EExtended strand (participates in β ladder)trans-132.3130.5-179.1-176.3175.3-0.400111.1T390 S409 L423 K424 Y425T390-Q407 WeakPolarHBondContact O-CA 3.19Å; T390-Q407 WeakPolarHBondContact OG1-CB 3.4Å; T390-Q407 WeakPolarHBondContact OG1-CG 3.35Å; Q407-S409 PolarHBondContact O-N 3.14Å; Q407-S409 PolarHBondContact O-OG 3.06Å; Q407-L423 PolarHBondContact N-O 2.93Å; Q407-K424 HydrophobicContact CB-CG 4.36Å; Q407-K424 WeakPolarHBondContact O-CA 3.24Å; Q407-Y425 PolarHBondContact O-N 3.14Å
408G87.8Confident91.7Very high8 Ų823.7 Ų23.78%0.08214%0.136CC..SBendtrans59.620171.500000114.6P147 T390 N391 S392 Y425P147-G408 VanDerWaalsContact CG-O 3.3Å; P147-G408 WeakPolarHBondContact CG-O 3.33Å; T390-G408 PolarHBondContact O-N 3.14Å; N391-G408 WeakPolarHBondContact O-CA 3.47Å; N391-G408 PolarHBondContact O-N 3.07Å; S392-G408 PolarHBondContact OG-N 3.39Å; S392-G408 VanDerWaalsContact OG-N 3.12Å; G408-Y425 WeakPolarHBondContact O-CA 3.25Å
409S90.5Very high91.8Very high1 Ų130 Ų301%0.00716%0.16CC..  trans-107.9149.8-167.5-620000111.4S392 I393 Q407 Y425 C426S392-S409 CarbonylContact C-O 3.58Å; S392-S409 VanDerWaalsContact CA-O 3.26Å; S392-S409 WeakPolarHBondContact CA-O 3.33Å; S392-S409 VanDerWaalsContact CB-O 3.23Å; S392-S409 WeakPolarHBondContact CB-O 3.44Å; S392-S409 PolarHBondContact OG-N 3.35Å; S392-S409 VanDerWaalsContact OG-N 3.13Å; I393-S409 PolarHBondContact N-O 3.32Å; Q407-S409 PolarHBondContact O-N 3.14Å; Q407-S409 PolarHBondContact O-OG 3.06Å; S409-Y425 PolarHBondContact OG-N 3.22Å; S409-C426 CarbonylContact C-O 3.56Å; S409-C426 WeakPolarHBondContact CA-O 3.4Å; S409-C426 VanDerWaalsContact CB-O 3.22Å; S409-C426 WeakPolarHBondContact CB-O 3.26Å; S409-C426 PolarHBondContact OG-N 3.18Å
410V90.8Very high91.6Very high2 Ų229.7 Ų29.71%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-111.4120.6175.5-179.30000108.3L19 Y326 I327 I393 C426 L427 V428L19-V410 HydrophobicContact CD2-CG1 3.94Å; Y326-V410 HydrophobicContact CE1-CG1 4.24Å; I327-V410 HydrophobicContact CD1-CG2 4.08Å; I327-V410 HydrophobicContact CG1-CG2 3.95Å; I393-V410 HydrophobicContact CB-CG1 4.47Å; I393-V410 HydrophobicContact CB-CG2 4.39Å; I393-V410 HydrophobicContact CD1-CG2 4.25Å; I393-V410 WeakPolarHBondContact O-CA 3.34Å; V410-C426 PolarHBondContact N-O 3.44Å; V410-L427 HydrophobicContact CB-CD1 3.65Å; V410-L427 HydrophobicContact CG1-CD1 3.81Å; V410-L427 WeakPolarHBondContact O-CA 3.37Å; V410-V428 PolarHBondContact O-N 2.66Å
411I91.3Very high91.5Very high0 Ų029.7 Ų29.70%017%0.165CC..EExtended strand (participates in β ladder)trans-115.7113.9-176.3-61.7151.4000108.5I393 V394 M395 V398 I406 A415 I417 V428I393-I411 PolarHBondContact O-N 3.29Å; V394-I411 HydrophobicContact CG2-CD1 3.98Å; M395-I411 WeakPolarHBondContact CB-O 3.3Å; M395-I411 WeakPolarHBondContact CG-O 3.32Å; M395-I411 PolarHBondContact N-O 3.45Å; V398-I411 HydrophobicContact CG1-CG2 3.68Å; V398-I411 HydrophobicContact CG2-CG2 4.04Å; I406-I411 HydrophobicContact CD1-CD1 3.92Å; I406-I411 HydrophobicContact CG2-CD1 3.89Å; I411-A415 HydrophobicContact CG2-CB 3.61Å; I411-I417 HydrophobicContact CD1-CD1 3.48Å; I411-I417 VanDerWaalsContact CD1-CD1 3.48Å; I411-I417 HydrophobicContact CG1-CD1 4.1Å; I411-I417 HydrophobicContact CG2-CD1 4.36Å; I411-V428 HydrophobicContact CG1-CB 4.41Å; I411-V428 HydrophobicContact CG1-CG2 4.17Å; I411-V428 HydrophobicContact CG2-CB 4.43Å
412C89.9Confident91.4Very high4 Ų429.7 Ų29.73%0.02717%0.165CC..  trans-73168.9-178.9-67.80000112.9L19 M395 V398 A415 V428L19-C412 VanDerWaalsContact CD2-SG 3.59Å; M395-C412 HydrophobicContact SD-CB 4.2Å; V398-C412 WeakPolarHBondContact CG2-O 3.49Å; C412-A415 WeakPolarHBondContact O-CB 3.49Å; C412-A415 PolarHBondContact O-N 3.24Å; C412-V428 WeakPolarHBondContact CB-O 3.48Å; C412-V428 PolarHBondContact N-O 3.38Å; C412-V428 PolarHBondContact SG-O 3.28Å
413S88.4Confident91.3Very high12 Ų1225.9 Ų25.98%0.08415%0.148CC..THydrogen-bonded Turntrans-61.3148.4-174.3-54.80000112.6M395 H396 A415 S430 G431M395-S413 WeakPolarHBondContact CB-OG 3.16Å; H396-S413 WeakPolarHBondContact O-CA 3.06Å; H396-S413 WeakPolarHBondContact O-CB 3.2Å; S413-A415 PolarHBondContact O-N 3.44Å; S413-A415 VanDerWaalsContact O-N 3.16Å; S413-S430 WeakPolarHBondContact O-CA 2.8Å; S413-S430 PolarHBondContact O-OG 3.07Å; S413-G431 PolarHBondContact O-N 2.96Å; S413-G431 VanDerWaalsContact O-N 3.12Å
414N88.9Confident91.2Very high83 Ų8327.4 Ų27.444%0.44414%0.144SC..THydrogen-bonded Turntrans60.915.1-179.9-53.4-32.9000115.4H396 S397 G431H396-N414 PolarHBondContact O-N 3.03Å; S397-N414 WeakPolarHBondContact CB-OD1 3.27Å; S397-N414 WeakPolarHBondContact O-CA 3.44Å; N414-G431 WeakPolarHBondContact O-CA 3.44Å
415A90.6Very high91Very high0 Ų030.5 Ų30.50%016%0.156CC..  trans-73.3147.717500000111.7V398 T399 I411 C412 S413 V428 Q432V398-A415 WeakPolarHBondContact CA-O 3.32Å; V398-A415 WeakPolarHBondContact CG1-O 3.43Å; T399-A415 PolarHBondContact N-O 3.35Å; I411-A415 HydrophobicContact CG2-CB 3.61Å; C412-A415 WeakPolarHBondContact O-CB 3.49Å; C412-A415 PolarHBondContact O-N 3.24Å; S413-A415 PolarHBondContact O-N 3.44Å; S413-A415 VanDerWaalsContact O-N 3.16Å; A415-V428 HydrophobicContact CB-CG1 4.06Å; A415-Q432 WeakPolarHBondContact CA-O 3.23Å
416I92.8Very high90.7Very high67 Ų6728.2 Ų28.234%0.34414%0.143SC..EExtended strand (participates in β ladder)trans-122.2117.8177.1-57.8174.3000108.6T399 Q432 R433 I434T399-I416 WeakPolarHBondContact O-CA 3.1Å; I416-Q432 PolarHBondContact N-O 3.16Å; I416-R433 HydrophobicContact CB-CG 4.22Å; I416-R433 HydrophobicContact CG2-CG 4.33Å; I416-R433 CarbonylContact O-C 3.53Å; I416-R433 WeakPolarHBondContact O-CA 3.2Å; I416-I434 PolarHBondContact O-N 3.42Å
417I92.9Very high90.5Very high0 Ų028.2 Ų28.20%014%0.143CC..EExtended strand (participates in β ladder)trans-98.2120.8178.8-54-178.1000108.6T399 I400 E401 C404 I406 I411 A421 L423 I434T399-I417 PolarHBondContact O-N 2.98Å; I400-I417 HydrophobicContact CG1-CD1 4.15Å; I400-I417 HydrophobicContact CG2-CB 4.39Å; I400-I417 HydrophobicContact CG2-CD1 4.47Å; E401-I417 WeakPolarHBondContact CB-O 3.44Å; E401-I417 WeakPolarHBondContact CG-O 3.45Å; E401-I417 PolarHBondContact N-O 3.42Å; E401-I417 VanDerWaalsContact N-O 3.11Å; C404-I417 HydrophobicContact CB-CG2 4.46Å; I406-I417 HydrophobicContact CD1-CD1 3.59Å; I411-I417 HydrophobicContact CD1-CD1 3.48Å; I411-I417 VanDerWaalsContact CD1-CD1 3.48Å; I411-I417 HydrophobicContact CG1-CD1 4.1Å; I411-I417 HydrophobicContact CG2-CD1 4.36Å; I417-A421 HydrophobicContact CG2-CB 3.72Å; I417-L423 HydrophobicContact CD1-CD1 3.91Å; I417-L423 HydrophobicContact CG2-CD1 4.24Å; I417-I434 HydrophobicContact CG1-CD1 4.24Å
418G91.9Very high90.4Very high7 Ų724.8 Ų24.87%0.07213%0.127CC..PPolyproline II helixtrans-65160.317900000113.7C404 G420 A421 I434C404-G418 PolarHBondContact SG-O 3.3Å; G418-G420 PolarHBondContact O-N 2.78Å; G418-A421 WeakPolarHBondContact O-CB 3.39Å; G418-A421 PolarHBondContact O-N 3.45Å; G418-I434 WeakPolarHBondContact CA-O 3.34Å; G418-I434 PolarHBondContact N-O 3.01Å; G418-I434 VanDerWaalsContact N-O 3.11Å
419R93.1Very high90.2Very high133 Ų13324.5 Ų24.550%0.50212%0.124SC..THydrogen-bonded Turntrans-58.5136-178.1-70.3175.9-178.7-154.1-1111.1E401 E402 A421 P436 E437E401-R419 HydrophobicContact CB-CB 4.34Å; E401-R419 HydrophobicContact CB-CG 3.62Å; E401-R419 HydrophobicContact CG-CG 4.19Å; E401-R419 IonicContact OE2-NE 2.59Å; E401-R419 PolarHBondContact OE2-NE 2.71Å; E401-R419 IonicContact OE2-NH2 2.69Å; E402-R419 WeakPolarHBondContact O-CA 3.46Å; R419-A421 VanDerWaalsContact C-N 3.26Å; R419-A421 PolarHBondContact O-N 3.46Å; R419-P436 CarbonylContact O-C 3.53Å; R419-P436 WeakPolarHBondContact O-CA 3.33Å; R419-E437 PolarHBondContact O-N 3.39Å
420G90.8Very high89.9Confident35 Ų3526 Ų2636%0.36114%0.135SC..THydrogen-bonded Turntrans68.515.7175.100000115.7E402 G418E402-G420 PolarHBondContact O-N 3.42Å; G418-G420 PolarHBondContact O-N 2.78Å
421A91.6Very high89.6Confident1 Ų128.3 Ų28.31%0.00816%0.158CC..  trans-70.2138178.400000112C404 N405 I417 G418 R419 I434 A438C404-A421 CarbonylContact C-O 3.55Å; C404-A421 VanDerWaalsContact CA-O 3.3Å; C404-A421 WeakPolarHBondContact CA-O 3.46Å; N405-A421 PolarHBondContact N-O 3.21Å; I417-A421 HydrophobicContact CG2-CB 3.72Å; G418-A421 WeakPolarHBondContact O-CB 3.39Å; G418-A421 PolarHBondContact O-N 3.45Å; R419-A421 VanDerWaalsContact C-N 3.26Å; R419-A421 PolarHBondContact O-N 3.46Å; A421-I434 HydrophobicContact CB-CG2 4.4Å; A421-A438 WeakPolarHBondContact CA-O 3.48Å
422D92.5Very high89.3Confident31 Ų3130.9 Ų30.917%0.16617%0.17CC..EExtended strand (participates in β ladder)trans-111.9110.7172.2-169.118.5000109.6N405 K424 A438 E439 R440N405-D422 WeakPolarHBondContact CB-OD1 3.47Å; N405-D422 PolarHBondContact ND2-OD1 2.94Å; N405-D422 CarbonylContact O-C 3.59Å; N405-D422 WeakPolarHBondContact O-CA 3.39Å; D422-K424 IonicContact OD1-NZ 3.41Å; D422-K424 VanDerWaalsContact OD2-CE 3.28Å; D422-K424 WeakPolarHBondContact OD2-CE 3.47Å; D422-K424 IonicContact OD2-NZ 3.66Å; D422-K424 PolarHBondContact OD2-NZ 3.11Å; D422-A438 PolarHBondContact N-O 3.37Å; D422-E439 HydrophobicContact CB-CG 4.35Å; D422-R440 PolarHBondContact O-N 3.16Å
423L90.8Very high89.3Confident0 Ų039.2 Ų39.20%020%0.202CC..EExtended strand (participates in β ladder)trans-114.9117.8-177.1-58.1179.1000110.1N405 I406 Q407 I417 V428 I434 R440N405-L423 PolarHBondContact O-N 3.03Å; I406-L423 WeakPolarHBondContact CA-O 3.37Å; I406-L423 HydrophobicContact CG1-CD1 4.43Å; I406-L423 HydrophobicContact CG2-CB 4.46Å; Q407-L423 PolarHBondContact N-O 2.93Å; I417-L423 HydrophobicContact CD1-CD1 3.91Å; I417-L423 HydrophobicContact CG2-CD1 4.24Å; L423-V428 HydrophobicContact CD1-CG2 4.4Å; L423-I434 HydrophobicContact CD1-CD1 3.57Å; L423-I434 HydrophobicContact CD2-CD1 3.94Å; L423-I434 HydrophobicContact CG-CD1 4.38Å; L423-R440 HydrophobicContact CD2-CB 3.77Å; L423-R440 HydrophobicContact CD2-CG 4.13Å
424K90.3Very high89.3Confident71 Ų7139 Ų3931%0.30920%0.199SC..EExtended strand (participates in β ladder)trans-123116176.6-61.7177.8-177.1133.30110.5Q407 D422 C426 R440 T441 N442Q407-K424 HydrophobicContact CB-CG 4.36Å; Q407-K424 WeakPolarHBondContact O-CA 3.24Å; D422-K424 IonicContact OD1-NZ 3.41Å; D422-K424 VanDerWaalsContact OD2-CE 3.28Å; D422-K424 WeakPolarHBondContact OD2-CE 3.47Å; D422-K424 IonicContact OD2-NZ 3.66Å; D422-K424 PolarHBondContact OD2-NZ 3.11Å; K424-C426 VanDerWaalsContact C-N 3.28Å; K424-C426 PolarHBondContact O-N 2.79Å; K424-R440 PolarHBondContact N-O 3.44Å; K424-T441 HydrophobicContact CB-CG2 4.19Å; K424-T441 CarbonylContact O-C 3.56Å; K424-T441 VanDerWaalsContact O-CA 3.31Å; K424-T441 WeakPolarHBondContact O-CA 3.19Å; K424-N442 PolarHBondContact O-N 3.24Å
425Y88.3Confident89.2Confident66 Ų6641.2 Ų41.226%0.25921%0.207SC..SBendtrans53.544.1179.8-54.6-76.6000113P147 G148 Q407 G408 S409 N442P147-Y425 VanDerWaalsContact CA-O 3.24Å; P147-Y425 WeakPolarHBondContact CA-O 3.46Å; P147-Y425 VanDerWaalsContact CB-O 3.32Å; P147-Y425 WeakPolarHBondContact CB-O 3.43Å; G148-Y425 PolarHBondContact N-O 3.28Å; Q407-Y425 PolarHBondContact O-N 3.14Å; G408-Y425 WeakPolarHBondContact O-CA 3.25Å; S409-Y425 PolarHBondContact OG-N 3.22Å; Y425-N442 WeakPolarHBondContact CB-OD1 3.09Å; Y425-N442 WeakPolarHBondContact O-CA 3.42Å
426C87.6Confident89.2Confident0 Ų044.7 Ų44.70%023%0.23CC..  trans-100.6148.8178.1-71.90000111.4S409 V410 K424 R440 E443S409-C426 CarbonylContact C-O 3.56Å; S409-C426 WeakPolarHBondContact CA-O 3.4Å; S409-C426 VanDerWaalsContact CB-O 3.22Å; S409-C426 WeakPolarHBondContact CB-O 3.26Å; S409-C426 PolarHBondContact OG-N 3.18Å; V410-C426 PolarHBondContact N-O 3.44Å; K424-C426 VanDerWaalsContact C-N 3.28Å; K424-C426 PolarHBondContact O-N 2.79Å; C426-R440 VanDerWaalsContact SG-C 3.56Å; C426-R440 PolarHBondContact SG-O 3.33Å; C426-R440 VanDerWaalsContact SG-O 3.4Å; C426-E443 VanDerWaalsContact CA-O 3.28Å; C426-E443 WeakPolarHBondContact CA-O 3.48Å
427L88.4Confident88.9Confident0 Ų049.4 Ų49.40%025%0.25CC..EExtended strand (participates in β ladder)trans-109.8117.4169.1179.963.3000108.1D18 L19 L323 V410 E443 V444 I445D18-L427 HydrophobicContact CB-CD2 3.39Å; D18-L427 HydrophobicContact CB-CG 4.48Å; L19-L427 HydrophobicContact CD2-CD1 3.68Å; L323-L427 HydrophobicContact CD2-CD2 4.14Å; V410-L427 HydrophobicContact CB-CD1 3.65Å; V410-L427 HydrophobicContact CG1-CD1 3.81Å; V410-L427 WeakPolarHBondContact O-CA 3.37Å; L427-E443 PolarHBondContact N-O 3.3Å; L427-V444 HydrophobicContact CB-CG1 4.33Å; L427-V444 HydrophobicContact CB-CG2 4.34Å; L427-V444 HydrophobicContact CD2-CG1 3.94Å; L427-V444 HydrophobicContact CG-CG1 4.4Å; L427-I445 PolarHBondContact O-N 2.64Å
428V88.5Confident88.6Confident0 Ų050.1 Ų50.10%026%0.256CS..EExtended strand (participates in β ladder)trans-107.6119.2-177.8-1750000108.8V410 I411 C412 A415 L423 Q432 I434V410-V428 PolarHBondContact O-N 2.66Å; I411-V428 HydrophobicContact CG1-CB 4.41Å; I411-V428 HydrophobicContact CG1-CG2 4.17Å; I411-V428 HydrophobicContact CG2-CB 4.43Å; C412-V428 WeakPolarHBondContact CB-O 3.48Å; C412-V428 PolarHBondContact N-O 3.38Å; C412-V428 PolarHBondContact SG-O 3.28Å; A415-V428 HydrophobicContact CB-CG1 4.06Å; L423-V428 HydrophobicContact CD1-CG2 4.4Å; V428-Q432 HydrophobicContact CG1-CB 4.11Å; V428-I434 HydrophobicContact CG1-CD1 4.05Å; V428-I434 HydrophobicContact CG1-CG1 4.36Å; V428-I434 HydrophobicContact CG2-CD1 3.72Å
429G84.9Confident88.4Confident1 Ų157.4 Ų57.41%0.0129%0.288CS..  trans-66.4162.8-179.600000113.8G431 Q432 I445G429-G431 PolarHBondContact O-N 3.26Å; G429-Q432 PolarHBondContact O-N 2.58Å; G429-I445 PolarHBondContact N-O 2.78Å
430S84Confident88Confident34 Ų3455.9 Ų55.924%0.23828%0.283CS..THydrogen-bonded Turntrans-61.6134.7-179.8178.10000111.2N22 S413 Q432N22-S430 PolarHBondContact ND2-OG 2.97Å; S413-S430 WeakPolarHBondContact O-CA 2.8Å; S413-S430 PolarHBondContact O-OG 3.07Å; S430-Q432 PolarHBondContact O-N 2.65Å
431G83.3Confident87.8Confident49 Ų4957.6 Ų57.651%0.50529%0.286SS..THydrogen-bonded Turntrans70.17.7176.700000115.6S413 N414 G429S413-G431 PolarHBondContact O-N 2.96Å; S413-G431 VanDerWaalsContact O-N 3.12Å; N414-G431 WeakPolarHBondContact O-CA 3.44Å; G429-G431 PolarHBondContact O-N 3.26Å
432Q86.6Confident87.3Confident54 Ų5460.1 Ų60.125%0.25230%0.299SS..  trans-78.3144.1179.1-65.9-56.7-45.400111.8A415 I416 V428 G429 S430A415-Q432 WeakPolarHBondContact CA-O 3.23Å; I416-Q432 PolarHBondContact N-O 3.16Å; V428-Q432 HydrophobicContact CG1-CB 4.11Å; G429-Q432 PolarHBondContact O-N 2.58Å; S430-Q432 PolarHBondContact O-N 2.65Å
433R88.6Confident86.8Confident180 Ų18062 Ų6268%0.67931%0.307SS*.EExtended strand (participates in β ladder)trans-109.4126172.9-172.7176.3-174.9-1660109.5I416I416-R433 HydrophobicContact CB-CG 4.22Å; I416-R433 HydrophobicContact CG2-CG 4.33Å; I416-R433 CarbonylContact O-C 3.53Å; I416-R433 WeakPolarHBondContact O-CA 3.2Å
434I89Confident86.4Confident7 Ų764.9 Ų64.94%0.03633%0.325CS..EExtended strand (participates in β ladder)trans-92.2133.8174.5-56.5178000108.4I416 I417 G418 A421 L423 V428 A438 I445I416-I434 PolarHBondContact O-N 3.42Å; I417-I434 HydrophobicContact CG1-CD1 4.24Å; G418-I434 WeakPolarHBondContact CA-O 3.34Å; G418-I434 PolarHBondContact N-O 3.01Å; G418-I434 VanDerWaalsContact N-O 3.11Å; A421-I434 HydrophobicContact CB-CG2 4.4Å; L423-I434 HydrophobicContact CD1-CD1 3.57Å; L423-I434 HydrophobicContact CD2-CD1 3.94Å; L423-I434 HydrophobicContact CG-CD1 4.38Å; V428-I434 HydrophobicContact CG1-CD1 4.05Å; V428-I434 HydrophobicContact CG1-CG1 4.36Å; V428-I434 HydrophobicContact CG2-CD1 3.72Å; I434-A438 HydrophobicContact CG2-CB 3.98Å; I434-I445 HydrophobicContact CD1-CD1 4.48Å
435E87.6Confident85.9Confident130 Ų13063.3 Ų63.361%0.60732%0.319SS*.PPolyproline II helixtrans-58.9147.4176.3-65.4-57.8148.800111.7A438E435-A438 HydrophobicContact CB-CB 4.37Å; E435-A438 WeakPolarHBondContact O-CB 3.21Å; E435-A438 PolarHBondContact O-N 2.75Å
436P89.3Confident85.2Confident73 Ų7362 Ų6247%0.47432%0.318SS..THydrogen-bonded Turntrans-62.3145.7173.928.6-33.5000110.7R419 A438R419-P436 CarbonylContact O-C 3.53Å; R419-P436 WeakPolarHBondContact O-CA 3.33Å; P436-A438 PolarHBondContact O-N 2.77Å; P436-A438 VanDerWaalsContact O-N 3.11Å
437E86.8Confident83.8Confident165 Ų16562.5 Ų62.577%0.77132%0.323SS*.THydrogen-bonded Turntrans58.519.1179.8-57.4-179.5172.900114.6R419 E439R419-E437 PolarHBondContact O-N 3.39Å; E437-E439 PolarHBondContact O-N 3.07Å
438A86.1Confident81.9Confident15 Ų1569 Ų6912%0.12436%0.363CS..  trans-74.1127.7176.200000111.5A421 D422 I434 E435 P436 R440A421-A438 WeakPolarHBondContact CA-O 3.48Å; D422-A438 PolarHBondContact N-O 3.37Å; I434-A438 HydrophobicContact CG2-CB 3.98Å; E435-A438 HydrophobicContact CB-CB 4.37Å; E435-A438 WeakPolarHBondContact O-CB 3.21Å; E435-A438 PolarHBondContact O-N 2.75Å; P436-A438 PolarHBondContact O-N 2.77Å; P436-A438 VanDerWaalsContact O-N 3.11Å; A438-R440 HydrophobicContact CB-CG 4.46Å
439E87.6Confident79.9Confident161 Ų16176 Ų7675%0.75240%0.401SS*.EExtended strand (participates in β ladder)trans-98.6117.4168.5-63.5-172.2170.100109.5D422 E437D422-E439 HydrophobicContact CB-CG 4.35Å; E437-E439 PolarHBondContact O-N 3.07Å
440R85.3Confident78.2Confident101 Ų10179.6 Ų79.638%0.38142%0.417SS..EExtended strand (participates in β ladder)trans-130.3131.9-177.8-58.4-72.4-178.7171.6-3110.2D422 L423 K424 C426 A438 E443 I445D422-R440 PolarHBondContact O-N 3.16Å; L423-R440 HydrophobicContact CD2-CB 3.77Å; L423-R440 HydrophobicContact CD2-CG 4.13Å; K424-R440 PolarHBondContact N-O 3.44Å; C426-R440 VanDerWaalsContact SG-C 3.56Å; C426-R440 PolarHBondContact SG-O 3.33Å; C426-R440 VanDerWaalsContact SG-O 3.4Å; A438-R440 HydrophobicContact CB-CG 4.46Å; R440-E443 WeakPolarHBondContact CD-OE2 2.94Å; R440-E443 IonicContact CZ-OE2 3.62Å; R440-E443 IonicContact NE-OE2 3.84Å; R440-E443 IonicContact NH1-OE1 2.72Å; R440-E443 IonicContact NH1-OE2 3.47Å; R440-E443 PolarHBondContact NH1-OE2 3.37Å; R440-I445 HydrophobicContact CB-CD1 4.42Å; R440-I445 HydrophobicContact CG-CD1 4.12Å
441T86.1Confident76.2Confident71 Ų7185.5 Ų85.544%0.43645%0.445SS..EExtended strand (participates in β ladder)trans-135.7125.2-17965.80000111.5K424 E443K424-T441 HydrophobicContact CB-CG2 4.19Å; K424-T441 CarbonylContact O-C 3.56Å; K424-T441 VanDerWaalsContact O-CA 3.31Å; K424-T441 WeakPolarHBondContact O-CA 3.19Å; T441-E443 VanDerWaalsContact C-N 3.31Å; T441-E443 PolarHBondContact O-N 3.3Å
442N81.6Confident73.8Confident53 Ų5391.6 Ų91.628%0.28346%0.462SS..SBendtrans54.642.1178.9-65.2-53.1000113.8K150 K424 Y425K150-N442 HydrophobicContact CG-CB 4.44Å; K424-N442 PolarHBondContact O-N 3.24Å; Y425-N442 WeakPolarHBondContact CB-OD1 3.09Å; Y425-N442 WeakPolarHBondContact O-CA 3.42Å
443E82.5Confident71.3Confident70 Ų7098.3 Ų98.333%0.32749%0.494SS..  trans-115.7142.9179-71.3-176.1-176.600111.5C426 L427 R440 T441 I445C426-E443 VanDerWaalsContact CA-O 3.28Å; C426-E443 WeakPolarHBondContact CA-O 3.48Å; L427-E443 PolarHBondContact N-O 3.3Å; R440-E443 WeakPolarHBondContact CD-OE2 2.94Å; R440-E443 IonicContact CZ-OE2 3.62Å; R440-E443 IonicContact NE-OE2 3.84Å; R440-E443 IonicContact NH1-OE1 2.72Å; R440-E443 IonicContact NH1-OE2 3.47Å; R440-E443 PolarHBondContact NH1-OE2 3.37Å; T441-E443 VanDerWaalsContact C-N 3.31Å; T441-E443 PolarHBondContact O-N 3.3Å; E443-I445 HydrophobicContact CB-CG1 4.31Å
444V82.6Confident68.7Low62 Ų62100.7 Ų100.738%0.37652%0.518SS..EExtended strand (participates in β ladder)trans-100.6102172.1-1770000105.9L427 V446L427-V444 HydrophobicContact CB-CG1 4.33Å; L427-V444 HydrophobicContact CB-CG2 4.34Å; L427-V444 HydrophobicContact CD2-CG1 3.94Å; L427-V444 HydrophobicContact CG-CG1 4.4Å; V444-V446 HydrophobicContact CB-CG2 4.35Å; V444-V446 HydrophobicContact CG1-CG2 3.21Å
445I79.4Confident67.7Low37 Ų37105.4 Ų105.419%0.1954%0.542CS..EExtended strand (participates in β ladder)trans-97.293.4-175.9-55.6171.6000106.7L427 G429 I434 R440 E443L427-I445 PolarHBondContact O-N 2.64Å; G429-I445 PolarHBondContact N-O 2.78Å; I434-I445 HydrophobicContact CD1-CD1 4.48Å; R440-I445 HydrophobicContact CB-CD1 4.42Å; R440-I445 HydrophobicContact CG-CD1 4.12Å; E443-I445 HydrophobicContact CB-CG1 4.31Å
446V73.5Confident66.7Low40 Ų40104.1 Ų104.124%0.24254%0.538CS..  trans-125.9137.7-179.3-142.20000106.2V444 Q450V444-V446 HydrophobicContact CB-CG2 4.35Å; V444-V446 HydrophobicContact CG1-CG2 3.21Å; V446-Q450 VanDerWaalsContact CA-OE1 3.29Å
447G58.5Low65.4Low10 Ų10105.8 Ų105.810%0.10354%0.542CS..  trans-57.2149.2-165.400000114.1D449 Q450G447-D449 PolarHBondContact O-N 3.38Å; G447-Q450 WeakPolarHBondContact O-CB 3.48Å; G447-Q450 WeakPolarHBondContact O-CG 3.19Å; G447-Q450 PolarHBondContact O-N 2.94Å; G447-Q450 PolarHBondContact O-OE1 3.47Å
448T48.5Very low64.1Low137 Ų137102.4 Ų102.484%0.8453%0.529SS*.G310 helixtrans-58.7-12.3-175.438.50000116.2Q450T448-Q450 PolarHBondContact O-N 3.31Å; T448-Q450 VanDerWaalsContact O-N 3.09Å
449D46.2Very low62.8Low147 Ų147107.8 Ų107.879%0.78655%0.554SS**G310 helixtrans-723.5175.8-65.5-19.6000113.3G447G447-D449 PolarHBondContact O-N 3.38Å
450Q49.8Very low61.1Low76 Ų76104.3 Ų104.336%0.35554%0.541SS..G310 helixtrans-109.57.8-163.5-64.5169.6-12.800115.5V446 G447 T448V446-Q450 VanDerWaalsContact CA-OE1 3.29Å; G447-Q450 WeakPolarHBondContact O-CB 3.48Å; G447-Q450 WeakPolarHBondContact O-CG 3.19Å; G447-Q450 PolarHBondContact O-N 2.94Å; G447-Q450 PolarHBondContact O-OE1 3.47Å; T448-Q450 PolarHBondContact O-N 3.31Å; T448-Q450 VanDerWaalsContact O-N 3.09Å
451L42.2Very low59.4Low157 Ų157104.5 Ų104.582%0.82255%0.552SS**SBendtrans-100.80.3174.1-82.2163.6000113.9
452M32.1Very low57.3Low177 Ų177107.1 Ų107.187%0.87256%0.561SS**SBendtrans-103.82.2-172-85-152.6-73.200117.1
453E33.5Very low55.3Low196 Ų196111.6 Ų111.692%0.91658%0.584SS**  trans-122.981.3171.3-70.3-175.1171.700110.4
454I34.8Very low52.8Low230 Ų230115.4 Ų115.4100%1.17961%0.607SS**  trans-123.40155.3-61.4179.5000107.5

Retrieved 454 of 454 residues in 771.2 ms (Link to these results)

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