A0A096LVZ1_POEFO Loading...

Dolichol-phosphate mannosyltransferase subunit 1

Transfers mannose from GDP-mannose to dolichol monophosphate to form dolichol phosphate mannose (Dol-P-Man) which is the mannosyl donor in pathways leading to N-glycosylation, glycosyl phosphatidylinositol membrane anchoring, and O-mannosylation of proteins; catalytic subunit of the dolichol-phosphate mannose (DPM) synthase complex.

AlphaFold DB , UniProt , Accession A0A096LVZ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 247 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
1M43.6Very low44.3Very low255 Ų255152.6 Ų152.6100%1.25686%0.856SS**  0104.60-75.9178.3-174.700108.4
2A35.1Very low48.5Very low100 Ų100144.5 Ų144.583%0.82681%0.809SS**  trans-136.3125.5167.500000106.8R4A2-R4 PolarHBondContact O-N 3.4Å
3S35.6Very low52.3Low113 Ų113136.6 Ų136.679%0.7976%0.761SS**  trans-53.9122.3-166.9-177.50000112.8K5S3-K5 VanDerWaalsContact C-N 3.29Å; S3-K5 PolarHBondContact O-N 2.91Å
4R43.2Very low55.6Low249 Ų249126.9 Ų126.994%0.9471%0.706SS**  trans-61.891.7162-82.5177.4170.6161.3-3.6107.7A2 S6A2-R4 PolarHBondContact O-N 3.4Å; R4-S6 PolarHBondContact O-N 3.21Å; R4-S6 VanDerWaalsContact O-N 3.16Å
5K38.3Very low58.4Low192 Ų192118.4 Ų118.484%0.83566%0.659SS**  trans-63.7112.3160.5-84.6-175.6174.6-178.70107.3S3 L7S3-K5 VanDerWaalsContact C-N 3.29Å; S3-K5 PolarHBondContact O-N 2.91Å; K5-L7 PolarHBondContact O-N 3.16Å
6S37.6Very low60.9Low105 Ų105111 Ų11173%0.73462%0.618SS**  trans-46.2114.8168.550.30000110.9R4 Q8R4-S6 PolarHBondContact O-N 3.21Å; R4-S6 VanDerWaalsContact O-N 3.16Å; S6-Q8 PolarHBondContact O-N 3.07Å
7L37.3Very low63.1Low176 Ų176104.5 Ų104.592%0.92158%0.582SS**  trans-62.4104161.8-80149000107.4K5 A9K5-L7 PolarHBondContact O-N 3.16Å; L7-A9 PolarHBondContact O-N 3.06Å
8Q37.2Very low64.9Low163 Ų16398.7 Ų98.776%0.76255%0.549SS*.  trans-61.4120.2163.8-85.7175.7-1400108S6 N10S6-Q8 PolarHBondContact O-N 3.07Å; Q8-N10 PolarHBondContact O-N 3.28Å
9A44.4Very low66.5Low102 Ų10294.4 Ų94.484%0.84353%0.527SS*.  trans-64.9101.7172.100000109.2L7L7-A9 PolarHBondContact O-N 3.06Å
10N50.7Low67.9Low162 Ų16289.9 Ų89.987%0.86650%0.501SS*.  trans-120.352.9-172.7-134.519.8000111.4Q8Q8-N10 PolarHBondContact O-N 3.28Å
11G84Confident69.1Low62 Ų6289.1 Ų89.164%0.63949%0.491SS*.SBendtrans-143.2152.6177.100000112
12D95.4Very high71.4Confident55 Ų5580.3 Ų80.329%0.29445%0.449SS..  trans-56.4140.5177-62.3-44.1000111.6Y14 N99 F100 K123D12-Y14 HydrophobicContact CB-CE2 3.95Å; D12-N99 WeakPolarHBondContact CA-OD1 3.42Å; D12-N99 PolarHBondContact OD1-ND2 3.32Å; D12-F100 HydrophobicContact CB-CD2 4.07Å; D12-F100 HydrophobicContact CB-CE2 4.06Å; D12-F100 WeakPolarHBondContact OD1-CE2 3.33Å; D12-K123 WeakPolarHBondContact OD2-CE 3.48Å; D12-K123 IonicContact OD2-NZ 3.01Å; D12-K123 PolarHBondContact OD2-NZ 3.13Å
13K97.2Very high74.2Confident42 Ų4276.3 Ų76.318%0.18341%0.414CS..EExtended strand (participates in β ladder)trans-119.9133172.2-178.1176.6-177.6-172.70110N44 E46 T97 G98 N99 F100K13-N44 WeakPolarHBondContact CA-O 2.86Å; K13-N44 HydrophobicContact CB-CB 4.36Å; K13-N44 HydrophobicContact CG-CB 4.42Å; K13-E46 VanDerWaalsContact CE-OE2 3.32Å; K13-E46 WeakPolarHBondContact CE-OE2 3.37Å; K13-E46 IonicContact NZ-OE2 3.94Å; K13-E46 PolarHBondContact NZ-OE2 3.32Å; K13-T97 WeakPolarHBondContact CE-OG1 3.32Å; K13-T97 PolarHBondContact NZ-OG1 2.89Å; K13-G98 CarbonylContact O-C 3.59Å; K13-G98 WeakPolarHBondContact O-CA 3.39Å; K13-N99 PolarHBondContact N-OD1 3.47Å; K13-N99 PolarHBondContact O-N 2.83Å; K13-N99 PolarHBondContact O-OD1 3.17Å; K13-F100 PolarHBondContact O-N 3.39Å
14Y98.3Very high77Confident0 Ų076 Ų760%040%0.395CS..EExtended strand (participates in β ladder)trans-107.2115-176.1-58.6-86.2000110.8D12 Y43 N44 Y45 E46 F100 I102 I119 K123 L176D12-Y14 HydrophobicContact CB-CE2 3.95Å; Y14-Y43 HydrophobicContact CD2-CG 4.49Å; Y14-Y43 HydrophobicContact CE2-CD1 4.02Å; Y14-Y43 HydrophobicContact CE2-CG 4.13Å; Y14-N44 WeakPolarHBondContact CD2-O 3.33Å; Y14-N44 PolarHBondContact N-O 3.45Å; Y14-Y45 CarbonylContact O-C 3.53Å; Y14-Y45 WeakPolarHBondContact O-CA 3.33Å; Y14-Y45 WeakPolarHBondContact O-CB 3.42Å; Y14-E46 PolarHBondContact O-N 2.91Å; Y14-F100 WeakPolarHBondContact CA-O 3.37Å; Y14-F100 HydrophobicContact CD1-CB 3.39Å; Y14-F100 HydrophobicContact CD1-CD2 4.26Å; Y14-F100 HydrophobicContact CD1-CG 4Å; Y14-F100 HydrophobicContact CE1-CB 3.62Å; Y14-F100 HydrophobicContact CE1-CD1 4.47Å; Y14-F100 AromaticContact CE1-CD2 3.67Å; Y14-F100 HydrophobicContact CE1-CD2 3.67Å; Y14-F100 HydrophobicContact CE1-CE2 4.47Å; Y14-F100 AromaticContact CE1-CG 3.66Å; Y14-F100 HydrophobicContact CE1-CG 3.66Å; Y14-F100 HydrophobicContact CG-CB 4.35Å; Y14-I102 HydrophobicContact CD1-CD1 4.48Å; Y14-I119 HydrophobicContact CD1-CD1 3.93Å; Y14-I119 HydrophobicContact CD1-CG1 3.93Å; Y14-I119 HydrophobicContact CD2-CD1 3.88Å; Y14-I119 HydrophobicContact CE1-CB 4.4Å; Y14-I119 HydrophobicContact CE1-CD1 3.87Å; Y14-I119 HydrophobicContact CE1-CG1 3.58Å; Y14-I119 HydrophobicContact CE1-CG2 4.14Å; Y14-I119 HydrophobicContact CE2-CD1 3.79Å; Y14-I119 HydrophobicContact CE2-CG1 4.32Å; Y14-I119 HydrophobicContact CE2-CG2 4.28Å; Y14-I119 HydrophobicContact CG-CD1 3.97Å; Y14-I119 HydrophobicContact CG-CG1 4.49Å; Y14-I119 WeakPolarHBondContact OH-CG2 3.29Å; Y14-K123 WeakPolarHBondContact OH-CE 3.46Å; Y14-L176 HydrophobicContact CD1-CD1 3.84Å; Y14-L176 HydrophobicContact CE1-CD1 3.97Å
15S98.6Very high79.4Confident0 Ų070 Ų700%038%0.378CS..EExtended strand (participates in β ladder)trans-94.1118.6174.2-53.90000110E46 G98 F100 I101 I102S15-E46 WeakPolarHBondContact CA-O 3.47Å; S15-E46 WeakPolarHBondContact CB-OE1 3.07Å; S15-E46 WeakPolarHBondContact OG-CG 3.31Å; S15-E46 PolarHBondContact OG-OE1 3.34Å; S15-G98 WeakPolarHBondContact OG-CA 3.25Å; S15-G98 PolarHBondContact OG-N 2.86Å; S15-F100 PolarHBondContact N-O 2.89Å; S15-I101 CarbonylContact O-C 3.54Å; S15-I101 WeakPolarHBondContact O-CA 3.37Å; S15-I102 PolarHBondContact O-N 3.15Å
16V98.4Very high82Confident0 Ų061 Ų610%034%0.339CS..EExtended strand (participates in β ladder)trans-89.5114.1174.1-174.30000108.7L34 F38 E46 I47 I48 I102 M104V16-L34 HydrophobicContact CG1-CD1 4.14Å; V16-L34 HydrophobicContact CG1-CD2 4.22Å; V16-L34 HydrophobicContact CG2-CD2 4.25Å; V16-F38 HydrophobicContact CG2-CE2 3.62Å; V16-F38 HydrophobicContact CG2-CZ 3.82Å; V16-E46 PolarHBondContact N-O 3.5Å; V16-I47 HydrophobicContact CB-CG1 4.44Å; V16-I48 PolarHBondContact O-N 3.47Å; V16-I102 CarbonylContact C-O 3.58Å; V16-I102 WeakPolarHBondContact CA-O 3.39Å; V16-I102 HydrophobicContact CG1-CG2 4.45Å; V16-I102 HydrophobicContact CG2-CB 4.22Å; V16-I102 HydrophobicContact CG2-CD1 4.22Å; V16-M104 HydrophobicContact CG1-CG 4.11Å; V16-M104 HydrophobicContact CG1-SD 4Å
17L97.7Very high84.8Confident0 Ų056 Ų560%030%0.304CS..EExtended strand (participates in β ladder)trans-87119.4170.7-52.7-172.3000108.5P19 I48 I50 Y89 M93 I101 I102 I103L17-P19 WeakPolarHBondContact O-CD 3.36Å; L17-I48 HydrophobicContact CD2-CB 3.93Å; L17-I48 HydrophobicContact CD2-CD1 3.76Å; L17-I48 HydrophobicContact CD2-CG1 4.18Å; L17-I48 HydrophobicContact CD2-CG2 4.45Å; L17-I50 HydrophobicContact CB-CD1 3.97Å; L17-I50 HydrophobicContact CD2-CD1 4.44Å; L17-Y89 HydrophobicContact CB-CD1 4.26Å; L17-Y89 HydrophobicContact CD1-CD1 4.17Å; L17-M93 HydrophobicContact CD1-CG 3.79Å; L17-I101 HydrophobicContact CD1-CG2 3.64Å; L17-I101 HydrophobicContact CD2-CG2 4.45Å; L17-I101 HydrophobicContact CG-CG2 3.62Å; L17-I102 PolarHBondContact N-O 3.13Å; L17-I103 HydrophobicContact CB-CG2 4.31Å; L17-I103 HydrophobicContact CD1-CG2 4.3Å
18L96.7Very high87.7Confident0 Ų049.9 Ų49.90%027%0.274CS..EExtended strand (participates in β ladder)trans-121.786.4-176.5-164.569.5000109.6L27 I30 V31 L34 I47 I48 I50 M104 A106L18-L27 HydrophobicContact CD2-CD1 3.74Å; L18-I30 HydrophobicContact CD1-CG1 4.39Å; L18-I30 HydrophobicContact CD2-CG2 3.84Å; L18-V31 HydrophobicContact CD2-CG2 4.38Å; L18-L34 HydrophobicContact CD2-CD1 4.5Å; L18-I47 HydrophobicContact CD2-CG2 4.43Å; L18-I48 PolarHBondContact N-O 3.23Å; L18-I50 PolarHBondContact O-N 2.88Å; L18-M104 HydrophobicContact CD1-CG 3.91Å; L18-A106 HydrophobicContact CD1-CB 3.89Å; L18-A106 HydrophobicContact CD2-CB 4.39Å; L18-A106 HydrophobicContact CG-CB 3.96Å
19P94.7Very high90.5Very high18 Ų1845.8 Ų45.812%0.11726%0.258CS..EExtended strand (participates in β ladder)trans-66.9132.4174-17.531.9000111L17 I50 L85 A88 Y89L17-P19 WeakPolarHBondContact O-CD 3.36Å; P19-I50 WeakPolarHBondContact CA-O 3.33Å; P19-L85 HydrophobicContact CB-CD1 3.96Å; P19-L85 HydrophobicContact CG-CD1 3.8Å; P19-A88 HydrophobicContact CB-CB 4.14Å; P19-A88 HydrophobicContact CG-CB 4.25Å; P19-Y89 HydrophobicContact CG-CD1 4.03Å; P19-Y89 HydrophobicContact CG-CE1 3.49Å; P19-Y89 VanDerWaalsContact CG-CE1 3.49Å
20T94.1Very high93Very high3 Ų341 Ų412%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-126.3138.9-179.657.80000111.6E23 L27 V49 I50 D51 D52 T58 A106T20-E23 HydrophobicContact CG2-CB 4.22Å; T20-E23 HydrophobicContact CG2-CG 4.47Å; T20-L27 HydrophobicContact CG2-CD1 4.09Å; T20-V49 HydrophobicContact CG2-CG1 4.09Å; T20-I50 PolarHBondContact N-O 3.2Å; T20-D51 VanDerWaalsContact OG1-CA 3.27Å; T20-D51 WeakPolarHBondContact OG1-CA 3.42Å; T20-D51 WeakPolarHBondContact OG1-CB 3.21Å; T20-D51 PolarHBondContact OG1-OD1 3.48Å; T20-D52 PolarHBondContact O-N 3.11Å; T20-T58 HydrophobicContact CG2-CG2 4.39Å; T20-A106 HydrophobicContact CG2-CB 3.91Å
21Y92.3Very high95.2Very high75 Ų7533.2 Ų33.229%0.29418%0.176SC..SBendtrans-153.7109.3168.4-175.2-91.9000109.3D52 S54 K82Y21-D52 HydrophobicContact CD2-CB 3.85Å; Y21-S54 VanDerWaalsContact CA-OG 3.31Å; Y21-S54 WeakPolarHBondContact CA-OG 3.46Å; Y21-K82 HydrophobicContact CD1-CD 4.27Å; Y21-K82 HydrophobicContact CD2-CB 4.21Å; Y21-K82 HydrophobicContact CD2-CD 4.12Å; Y21-K82 HydrophobicContact CD2-CG 4.47Å; Y21-K82 HydrophobicContact CE1-CD 4.43Å; Y21-K82 HydrophobicContact CE2-CB 4.17Å; Y21-K82 HydrophobicContact CE2-CD 4.28Å; Y21-K82 HydrophobicContact CG-CD 4.09Å
22N92.8Very high95.9Very high70 Ų7036.4 Ų36.437%0.37417%0.169SC..SBendtrans58.255.6-169.7-62.2-13.6000113S54 P55 D56N22-S54 PolarHBondContact N-OG 2.87Å; N22-S54 VanDerWaalsContact N-OG 3.12Å; N22-P55 VanDerWaalsContact OD1-CD 3.27Å; N22-P55 WeakPolarHBondContact OD1-CD 3.47Å; N22-D56 WeakPolarHBondContact CA-OD2 3.4Å
23E93.4Very high96Very high16 Ų1635 Ų358%0.07516%0.161CC..  trans-122.323.9-175.8-60.9-64.6168.400112T20 E25 N26 L27 D56 T58 A106T20-E23 HydrophobicContact CG2-CB 4.22Å; T20-E23 HydrophobicContact CG2-CG 4.47Å; E23-E25 PolarHBondContact O-N 2.91Å; E23-E25 VanDerWaalsContact O-N 3.13Å; E23-N26 PolarHBondContact O-N 2.81Å; E23-N26 VanDerWaalsContact O-N 3.15Å; E23-N26 PolarHBondContact OE2-ND2 2.74Å; E23-L27 VanDerWaalsContact O-CB 3.3Å; E23-L27 WeakPolarHBondContact O-CB 3.16Å; E23-L27 PolarHBondContact O-N 2.69Å; E23-D56 PolarHBondContact N-OD2 2.85Å; E23-T58 HydrophobicContact CB-CG2 4.42Å; E23-T58 PolarHBondContact N-OG1 3.39Å; E23-A106 HydrophobicContact CB-CB 4.39Å; E23-A106 HydrophobicContact CG-CB 4.16Å
24R94.6Very high96Very high106 Ų10633 Ų3340%0.415%0.153SC..THydrogen-bonded Turntrans-49-43.6-175.8-175.6-162.9-175.171.78.9113.2P28 D56 G57 T58 V61R24-P28 VanDerWaalsContact O-CD 3.24Å; R24-P28 WeakPolarHBondContact O-CD 3.32Å; R24-D56 WeakPolarHBondContact CB-OD2 3.44Å; R24-D56 VanDerWaalsContact CD-O 3.29Å; R24-D56 WeakPolarHBondContact CD-O 3.24Å; R24-D56 PolarHBondContact N-OD2 2.78Å; R24-D56 VanDerWaalsContact N-OD2 3.17Å; R24-D56 PolarHBondContact NH1-O 2.85Å; R24-D56 VanDerWaalsContact NH1-O 3.07Å; R24-G57 PolarHBondContact NH1-O 2.94Å; R24-T58 PolarHBondContact N-OG1 3.5Å; R24-V61 HydrophobicContact CG-CG2 3.66Å
25E93.9Very high96Very high123 Ų12334.2 Ų34.258%0.57516%0.16SC*.THydrogen-bonded Turntrans-81.3-35.2-175.3-65.4159.8171.800112.4E23 Y223E23-E25 PolarHBondContact O-N 2.91Å; E23-E25 VanDerWaalsContact O-N 3.13Å; E25-Y223 HydrophobicContact CB-CD2 4.26Å; E25-Y223 HydrophobicContact CB-CG 4.34Å
26N93.3Very high95.9Very high3 Ų337.9 Ų37.92%0.01618%0.176CC..Hα-helixtrans-77.7-34.1-178.5-67.3-51000111.9E23 L29 I30 A106 Y223E23-N26 PolarHBondContact O-N 2.81Å; E23-N26 VanDerWaalsContact O-N 3.15Å; E23-N26 PolarHBondContact OE2-ND2 2.74Å; N26-L29 PolarHBondContact O-N 3.47Å; N26-L29 VanDerWaalsContact O-N 3.14Å; N26-I30 WeakPolarHBondContact O-CG2 3.49Å; N26-I30 PolarHBondContact O-N 2.77Å; N26-A106 WeakPolarHBondContact CB-O 3.46Å; N26-Y223 WeakPolarHBondContact OD1-CD2 3.42Å
27L96.4Very high95.9Very high0 Ų040 Ų400%018%0.184CC..Hα-helixtrans-57.6-45.9-171.1-175.962.2000114L18 T20 E23 L29 I30 V31 V49 T58 V61 A62 L65L18-L27 HydrophobicContact CD2-CD1 3.74Å; T20-L27 HydrophobicContact CG2-CD1 4.09Å; E23-L27 VanDerWaalsContact O-CB 3.3Å; E23-L27 WeakPolarHBondContact O-CB 3.16Å; E23-L27 PolarHBondContact O-N 2.69Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 2.96Å; L27-I30 HydrophobicContact CD1-CG2 4.31Å; L27-I30 WeakPolarHBondContact O-CG2 3.41Å; L27-V31 HydrophobicContact CD1-CG2 3.82Å; L27-V31 HydrophobicContact CG-CG2 4.39Å; L27-V31 WeakPolarHBondContact O-CB 3.46Å; L27-V31 VanDerWaalsContact O-CG2 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.22Å; L27-V31 PolarHBondContact O-N 3.3Å; L27-V49 HydrophobicContact CD1-CG1 4.26Å; L27-V49 HydrophobicContact CD1-CG2 4.3Å; L27-V49 HydrophobicContact CD2-CG1 4.24Å; L27-T58 HydrophobicContact CD2-CG2 3.91Å; L27-V61 HydrophobicContact CB-CG1 4.46Å; L27-V61 HydrophobicContact CD2-CG1 4.31Å; L27-A62 HydrophobicContact CD2-CB 3.67Å; L27-L65 HydrophobicContact CD2-CD1 4.16Å; L27-L65 HydrophobicContact CG-CD1 3.75Å
28P96.8Very high95.9Very high47 Ų4740.2 Ų40.231%0.30519%0.185SC..Hα-helixtrans-61-40.8176.6-24.435.1000113.1R24 W32 V61 L65R24-P28 VanDerWaalsContact O-CD 3.24Å; R24-P28 WeakPolarHBondContact O-CD 3.32Å; P28-W32 VanDerWaalsContact O-CB 3.28Å; P28-W32 WeakPolarHBondContact O-CB 3.45Å; P28-W32 PolarHBondContact O-N 2.98Å; P28-V61 HydrophobicContact CG-CG1 3.54Å; P28-L65 HydrophobicContact CB-CD2 4.35Å
29L96.5Very high95.8Very high78 Ų7842.9 Ų42.941%0.40821%0.213SC..Hα-helixtrans-68.1-48.1-177.6-63.5175.8000110.9N26 L27 W32 L33 L108 Y223N26-L29 PolarHBondContact O-N 3.47Å; N26-L29 VanDerWaalsContact O-N 3.14Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 2.96Å; L29-W32 PolarHBondContact O-N 3.35Å; L29-L33 VanDerWaalsContact O-CG 3.32Å; L29-L33 WeakPolarHBondContact O-CG 3.18Å; L29-L33 PolarHBondContact O-N 3.32Å; L29-L108 HydrophobicContact CB-CD1 4.01Å; L29-L108 HydrophobicContact CB-CD2 4.13Å; L29-L108 HydrophobicContact CD1-CD1 3.82Å; L29-Y223 HydrophobicContact CD1-CE2 4.29Å
30I96.9Very high95.9Very high0 Ų048.2 Ų48.20%024%0.236CC..Hα-helixtrans-67.3-39.9-179.1-170.266.1000111.5L18 N26 L27 L33 L34 M104 L108 P112L18-I30 HydrophobicContact CD1-CG1 4.39Å; L18-I30 HydrophobicContact CD2-CG2 3.84Å; N26-I30 WeakPolarHBondContact O-CG2 3.49Å; N26-I30 PolarHBondContact O-N 2.77Å; L27-I30 HydrophobicContact CD1-CG2 4.31Å; L27-I30 WeakPolarHBondContact O-CG2 3.41Å; I30-L33 PolarHBondContact O-N 2.87Å; I30-L34 HydrophobicContact CG1-CD1 4.2Å; I30-L34 WeakPolarHBondContact O-CB 3.33Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.3Å; I30-L34 PolarHBondContact O-N 3.39Å; I30-M104 HydrophobicContact CD1-CE 3.74Å; I30-M104 HydrophobicContact CG1-CE 4.44Å; I30-L108 HydrophobicContact CB-CD2 3.86Å; I30-L108 HydrophobicContact CD1-CD2 3.9Å; I30-L108 HydrophobicContact CG1-CD2 4.47Å; I30-P112 HydrophobicContact CD1-CG 3.59Å
31V97.9Very high95.9Very high0 Ų049.8 Ų49.80%025%0.248CC..Hα-helixtrans-64.6-44.4176.41700000110.8L18 L27 L33 L34 V35 I47 L65 Y69 I74L18-V31 HydrophobicContact CD2-CG2 4.38Å; L27-V31 HydrophobicContact CD1-CG2 3.82Å; L27-V31 HydrophobicContact CG-CG2 4.39Å; L27-V31 WeakPolarHBondContact O-CB 3.46Å; L27-V31 VanDerWaalsContact O-CG2 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.22Å; L27-V31 PolarHBondContact O-N 3.3Å; V31-L33 VanDerWaalsContact C-N 3.35Å; V31-L33 PolarHBondContact O-N 3.41Å; V31-L34 PolarHBondContact O-N 3.33Å; V31-V35 HydrophobicContact CG1-CG2 4.32Å; V31-V35 VanDerWaalsContact O-CG2 3.3Å; V31-V35 WeakPolarHBondContact O-CG2 3.42Å; V31-V35 PolarHBondContact O-N 3.27Å; V31-I47 HydrophobicContact CG1-CD1 4.42Å; V31-L65 HydrophobicContact CB-CD1 4.19Å; V31-L65 HydrophobicContact CG1-CD1 4.47Å; V31-L65 HydrophobicContact CG1-CD2 4.39Å; V31-L65 HydrophobicContact CG2-CD1 4.07Å; V31-Y69 HydrophobicContact CG1-CD2 3.91Å; V31-Y69 HydrophobicContact CG1-CE2 3.78Å; V31-I74 HydrophobicContact CG1-CD1 3.78Å
32W97.6Very high96Very high128 Ų12849.5 Ų49.549%0.48527%0.267SS..Hα-helixtrans-59.1-45.1175.1176.583.7000112P28 L29 L34 V35 K36P28-W32 VanDerWaalsContact O-CB 3.28Å; P28-W32 WeakPolarHBondContact O-CB 3.45Å; P28-W32 PolarHBondContact O-N 2.98Å; L29-W32 PolarHBondContact O-N 3.35Å; W32-L34 PolarHBondContact O-N 2.9Å; W32-V35 PolarHBondContact O-N 3.45Å; W32-K36 HydrophobicContact CH2-CD 3.73Å; W32-K36 HydrophobicContact CZ2-CD 4.04Å; W32-K36 HydrophobicContact CZ3-CD 4.19Å; W32-K36 WeakPolarHBondContact O-CB 3.28Å; W32-K36 PolarHBondContact O-N 2.96Å
33L97.8Very high96.2Very high26 Ų2649.3 Ų49.314%0.13626%0.262CS..Hα-helixtrans-61.2-45.4176.4-72.8169.7000111.4L29 I30 V31 K36 Y37 L108 P112L29-L33 VanDerWaalsContact O-CG 3.32Å; L29-L33 WeakPolarHBondContact O-CG 3.18Å; L29-L33 PolarHBondContact O-N 3.32Å; I30-L33 PolarHBondContact O-N 2.87Å; V31-L33 VanDerWaalsContact C-N 3.35Å; V31-L33 PolarHBondContact O-N 3.41Å; L33-K36 PolarHBondContact O-N 3.33Å; L33-Y37 HydrophobicContact CD2-CE2 4.04Å; L33-Y37 WeakPolarHBondContact O-CD2 3.32Å; L33-Y37 PolarHBondContact O-N 3.41Å; L33-L108 HydrophobicContact CD1-CD2 3.71Å; L33-P112 HydrophobicContact CB-CB 4.34Å; L33-P112 HydrophobicContact CB-CG 3.77Å
34L98Very high96.4Very high0 Ų052.7 Ų52.70%028%0.28CS..Hα-helixtrans-58.3-51.9176.9-73.8165.6000110.9V16 L18 I30 V31 W32 K36 Y37 F38 I47 M104 P112 I115V16-L34 HydrophobicContact CG1-CD1 4.14Å; V16-L34 HydrophobicContact CG1-CD2 4.22Å; V16-L34 HydrophobicContact CG2-CD2 4.25Å; L18-L34 HydrophobicContact CD2-CD1 4.5Å; I30-L34 HydrophobicContact CG1-CD1 4.2Å; I30-L34 WeakPolarHBondContact O-CB 3.33Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.3Å; I30-L34 PolarHBondContact O-N 3.39Å; V31-L34 PolarHBondContact O-N 3.33Å; W32-L34 PolarHBondContact O-N 2.9Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.96Å; L34-Y37 PolarHBondContact O-N 2.97Å; L34-F38 HydrophobicContact CB-CD2 4.5Å; L34-F38 HydrophobicContact CD2-CE2 4.09Å; L34-F38 WeakPolarHBondContact O-CB 3.34Å; L34-F38 WeakPolarHBondContact O-CD2 3.49Å; L34-F38 PolarHBondContact O-N 3.2Å; L34-I47 HydrophobicContact CB-CD1 3.55Å; L34-I47 HydrophobicContact CB-CG1 4.42Å; L34-I47 HydrophobicContact CD1-CD1 3.93Å; L34-I47 HydrophobicContact CD1-CG1 4.29Å; L34-I47 HydrophobicContact CD1-CG2 4.2Å; L34-I47 HydrophobicContact CG-CD1 4.36Å; L34-M104 HydrophobicContact CD1-SD 4.46Å; L34-M104 HydrophobicContact CD2-SD 3.81Å; L34-P112 HydrophobicContact CD2-CB 3.88Å; L34-P112 HydrophobicContact CD2-CG 3.84Å; L34-P112 HydrophobicContact CG-CB 4.31Å; L34-P112 HydrophobicContact CG-CG 3.9Å; L34-I115 HydrophobicContact CD2-CD1 3.47Å; L34-I115 VanDerWaalsContact CD2-CD1 3.47Å
35V97.7Very high96.5Very high26 Ų2648.7 Ų48.716%0.15827%0.265CS..Hα-helixtrans-57.2-44178171.90000111.2V31 W32 G39 Y45 I47 Y69V31-V35 HydrophobicContact CG1-CG2 4.32Å; V31-V35 VanDerWaalsContact O-CG2 3.3Å; V31-V35 WeakPolarHBondContact O-CG2 3.42Å; V31-V35 PolarHBondContact O-N 3.27Å; W32-V35 PolarHBondContact O-N 3.45Å; V35-G39 PolarHBondContact O-N 3.47Å; V35-Y45 HydrophobicContact CG2-CE2 4.49Å; V35-I47 HydrophobicContact CG2-CD1 4.22Å; V35-Y69 HydrophobicContact CB-CD1 4.47Å; V35-Y69 HydrophobicContact CB-CE1 4.14Å; V35-Y69 HydrophobicContact CG1-CD1 4.01Å; V35-Y69 HydrophobicContact CG1-CE1 3.76Å; V35-Y69 HydrophobicContact CG2-CD1 3.9Å; V35-Y69 HydrophobicContact CG2-CD2 4.48Å; V35-Y69 HydrophobicContact CG2-CE1 3.93Å; V35-Y69 HydrophobicContact CG2-CG 4.18Å
36K97.4Very high96.7Very high76 Ų7643 Ų4333%0.3324%0.238SC..Hα-helixtrans-57.8-57.2176.9177.8-176.8174.2178.90111.7W32 L33 L34 F38 G39 E40W32-K36 HydrophobicContact CH2-CD 3.73Å; W32-K36 HydrophobicContact CZ2-CD 4.04Å; W32-K36 HydrophobicContact CZ3-CD 4.19Å; W32-K36 WeakPolarHBondContact O-CB 3.28Å; W32-K36 PolarHBondContact O-N 2.96Å; L33-K36 PolarHBondContact O-N 3.33Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.96Å; K36-F38 PolarHBondContact O-N 3.08Å; K36-G39 PolarHBondContact O-N 3.41Å; K36-E40 WeakPolarHBondContact CE-OE1 3.16Å; K36-E40 WeakPolarHBondContact CG-OE1 3.33Å; K36-E40 IonicContact NZ-OE1 3.84Å; K36-E40 WeakPolarHBondContact O-CG 3.36Å; K36-E40 PolarHBondContact O-N 2.9Å
37Y97.5Very high97Very high46 Ų4642.8 Ų42.818%0.1824%0.238CC..Hα-helixtrans-71-31.8-173.7-75.6-72.7000113.1L33 L34 S41 H111 P112 K113L33-Y37 HydrophobicContact CD2-CE2 4.04Å; L33-Y37 WeakPolarHBondContact O-CD2 3.32Å; L33-Y37 PolarHBondContact O-N 3.41Å; L34-Y37 PolarHBondContact O-N 2.97Å; Y37-S41 WeakPolarHBondContact O-CB 3.11Å; Y37-S41 PolarHBondContact O-N 3.49Å; Y37-S41 VanDerWaalsContact O-N 3.13Å; Y37-S41 PolarHBondContact O-OG 2.88Å; Y37-H111 AromaticContact CE2-CE1 3.54Å; Y37-H111 AromaticContact CE2-ND1 3.97Å; Y37-H111 AromaticContact CZ-CE1 3.81Å; Y37-H111 PolarHBondContact OH-CE1 2.93Å; Y37-P112 HydrophobicContact CD2-CB 3.9Å; Y37-K113 HydrophobicContact CD1-CB 4.16Å; Y37-K113 HydrophobicContact CD2-CB 4.47Å; Y37-K113 HydrophobicContact CE1-CB 3.53Å; Y37-K113 HydrophobicContact CE2-CB 3.95Å; Y37-K113 VanDerWaalsContact CZ-CB 3.42Å
38F96.9Very high97.1Very high3 Ų342.8 Ų42.81%0.01324%0.238CC..Hα-helixtrans-68.8-41.2170.1-81.5-67.9000112.2V16 L34 K36 S41 G42 Y45 I102 I115 I119V16-F38 HydrophobicContact CG2-CE2 3.62Å; V16-F38 HydrophobicContact CG2-CZ 3.82Å; L34-F38 HydrophobicContact CB-CD2 4.5Å; L34-F38 HydrophobicContact CD2-CE2 4.09Å; L34-F38 WeakPolarHBondContact O-CB 3.34Å; L34-F38 WeakPolarHBondContact O-CD2 3.49Å; L34-F38 PolarHBondContact O-N 3.2Å; K36-F38 PolarHBondContact O-N 3.08Å; F38-S41 WeakPolarHBondContact CA-OG 3.27Å; F38-S41 PolarHBondContact O-N 3.21Å; F38-S41 PolarHBondContact O-OG 3.39Å; F38-G42 PolarHBondContact O-N 3.37Å; F38-Y45 HydrophobicContact CB-CD1 3.32Å; F38-Y45 HydrophobicContact CB-CD2 4.13Å; F38-Y45 HydrophobicContact CB-CE1 3.36Å; F38-Y45 HydrophobicContact CB-CE2 4.17Å; F38-Y45 HydrophobicContact CB-CG 3.71Å; F38-Y45 AromaticContact CD1-CD1 3.93Å; F38-Y45 HydrophobicContact CD1-CD1 3.93Å; F38-Y45 AromaticContact CD1-CG 3.75Å; F38-Y45 HydrophobicContact CD1-CG 3.75Å; F38-Y45 HydrophobicContact CD2-CD1 4.22Å; F38-Y45 AromaticContact CD2-CD2 3.59Å; F38-Y45 HydrophobicContact CD2-CD2 3.59Å; F38-Y45 HydrophobicContact CD2-CE2 4.07Å; F38-Y45 AromaticContact CD2-CG 3.66Å; F38-Y45 HydrophobicContact CD2-CG 3.66Å; F38-Y45 HydrophobicContact CE1-CG 4.26Å; F38-Y45 HydrophobicContact CE2-CD2 4.11Å; F38-Y45 HydrophobicContact CE2-CG 4.2Å; F38-Y45 AromaticContact CG-CD1 3.58Å; F38-Y45 HydrophobicContact CG-CD1 3.58Å; F38-Y45 AromaticContact CG-CD2 3.83Å; F38-Y45 HydrophobicContact CG-CD2 3.83Å; F38-Y45 HydrophobicContact CG-CE1 4.08Å; F38-Y45 HydrophobicContact CG-CE2 4.32Å; F38-Y45 AromaticContact CG-CG 3.43Å; F38-Y45 HydrophobicContact CG-CG 3.43Å; F38-Y45 VanDerWaalsContact CG-CG 3.43Å; F38-Y45 HydrophobicContact CZ-CG 4.46Å; F38-I102 HydrophobicContact CZ-CD1 3.9Å; F38-I115 HydrophobicContact CE1-CG2 3.94Å; F38-I115 HydrophobicContact CE2-CD1 3.92Å; F38-I115 HydrophobicContact CE2-CG2 4.45Å; F38-I115 HydrophobicContact CZ-CD1 4.11Å; F38-I115 HydrophobicContact CZ-CG2 3.74Å; F38-I119 HydrophobicContact CE1-CD1 4.41Å
39G95.3Very high97.1Very high57 Ų5740.7 Ų40.759%0.58822%0.224SC*.Hα-helixtrans-60.7-45.1175.400000112.8V35 K36 S41V35-G39 PolarHBondContact O-N 3.47Å; K36-G39 PolarHBondContact O-N 3.41Å; G39-S41 VanDerWaalsContact C-N 3.33Å; G39-S41 PolarHBondContact O-N 3.05Å
40E96.1Very high97.2Very high129 Ų12937 Ų3760%0.60320%0.204SC*.Hα-helixtrans-65.9-33.1177.2-73.2173.6179.700113K36K36-E40 WeakPolarHBondContact CE-OE1 3.16Å; K36-E40 WeakPolarHBondContact CG-OE1 3.33Å; K36-E40 IonicContact NZ-OE1 3.84Å; K36-E40 WeakPolarHBondContact O-CG 3.36Å; K36-E40 PolarHBondContact O-N 2.9Å
41S94.9Very high97.2Very high37 Ų3737.2 Ų37.226%0.25921%0.205SC..Hα-helixtrans-89.6-16-178.557.60000114.4Y37 F38 G39 Y43Y37-S41 WeakPolarHBondContact O-CB 3.11Å; Y37-S41 PolarHBondContact O-N 3.49Å; Y37-S41 VanDerWaalsContact O-N 3.13Å; Y37-S41 PolarHBondContact O-OG 2.88Å; F38-S41 WeakPolarHBondContact CA-OG 3.27Å; F38-S41 PolarHBondContact O-N 3.21Å; F38-S41 PolarHBondContact O-OG 3.39Å; G39-S41 VanDerWaalsContact C-N 3.33Å; G39-S41 PolarHBondContact O-N 3.05Å; S41-Y43 PolarHBondContact O-N 3.13Å; S41-Y43 VanDerWaalsContact OG-CD2 3.24Å; S41-Y43 WeakPolarHBondContact OG-CD2 3.49Å
42G95.1Very high97Very high68 Ų6837.7 Ų37.770%0.70121%0.208SC*.THydrogen-bonded Turntrans71.510.7179.700000114.8F38F38-G42 PolarHBondContact O-N 3.37Å
43Y96.1Very high96.7Very high67 Ų6733.3 Ų33.326%0.26320%0.203SC..  trans-75.2138.7176.8-65.5-57000111.3Y14 S41 Y45 P116 I119Y14-Y43 HydrophobicContact CD2-CG 4.49Å; Y14-Y43 HydrophobicContact CE2-CD1 4.02Å; Y14-Y43 HydrophobicContact CE2-CG 4.13Å; S41-Y43 PolarHBondContact O-N 3.13Å; S41-Y43 VanDerWaalsContact OG-CD2 3.24Å; S41-Y43 WeakPolarHBondContact OG-CD2 3.49Å; Y43-Y45 WeakPolarHBondContact O-CD1 3.38Å; Y43-P116 HydrophobicContact CE2-CB 4.39Å; Y43-I119 HydrophobicContact CD1-CG2 4.38Å; Y43-I119 HydrophobicContact CD2-CD1 3.46Å; Y43-I119 VanDerWaalsContact CD2-CD1 3.46Å; Y43-I119 HydrophobicContact CE1-CG2 3.83Å; Y43-I119 HydrophobicContact CE2-CB 4.21Å; Y43-I119 HydrophobicContact CE2-CD1 3.79Å; Y43-I119 HydrophobicContact CE2-CG2 3.97Å; Y43-I119 HydrophobicContact CG-CD1 3.89Å
44N97.1Very high96.5Very high86 Ų8632.7 Ų32.746%0.4620%0.201SC..EExtended strand (participates in β ladder)trans-71.1131.8174-173.68.9000110.1K13 Y14K13-N44 WeakPolarHBondContact CA-O 2.86Å; K13-N44 HydrophobicContact CB-CB 4.36Å; K13-N44 HydrophobicContact CG-CB 4.42Å; Y14-N44 WeakPolarHBondContact CD2-O 3.33Å; Y14-N44 PolarHBondContact N-O 3.45Å
45Y98.1Very high96.3Very high22 Ų2237.7 Ų37.79%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-149166.5-172.674.3-76.3000113Y14 V35 F38 Y43 I47Y14-Y45 CarbonylContact O-C 3.53Å; Y14-Y45 WeakPolarHBondContact O-CA 3.33Å; Y14-Y45 WeakPolarHBondContact O-CB 3.42Å; V35-Y45 HydrophobicContact CG2-CE2 4.49Å; F38-Y45 HydrophobicContact CB-CD1 3.32Å; F38-Y45 HydrophobicContact CB-CD2 4.13Å; F38-Y45 HydrophobicContact CB-CE1 3.36Å; F38-Y45 HydrophobicContact CB-CE2 4.17Å; F38-Y45 HydrophobicContact CB-CG 3.71Å; F38-Y45 AromaticContact CD1-CD1 3.93Å; F38-Y45 HydrophobicContact CD1-CD1 3.93Å; F38-Y45 AromaticContact CD1-CG 3.75Å; F38-Y45 HydrophobicContact CD1-CG 3.75Å; F38-Y45 HydrophobicContact CD2-CD1 4.22Å; F38-Y45 AromaticContact CD2-CD2 3.59Å; F38-Y45 HydrophobicContact CD2-CD2 3.59Å; F38-Y45 HydrophobicContact CD2-CE2 4.07Å; F38-Y45 AromaticContact CD2-CG 3.66Å; F38-Y45 HydrophobicContact CD2-CG 3.66Å; F38-Y45 HydrophobicContact CE1-CG 4.26Å; F38-Y45 HydrophobicContact CE2-CD2 4.11Å; F38-Y45 HydrophobicContact CE2-CG 4.2Å; F38-Y45 AromaticContact CG-CD1 3.58Å; F38-Y45 HydrophobicContact CG-CD1 3.58Å; F38-Y45 AromaticContact CG-CD2 3.83Å; F38-Y45 HydrophobicContact CG-CD2 3.83Å; F38-Y45 HydrophobicContact CG-CE1 4.08Å; F38-Y45 HydrophobicContact CG-CE2 4.32Å; F38-Y45 AromaticContact CG-CG 3.43Å; F38-Y45 HydrophobicContact CG-CG 3.43Å; F38-Y45 VanDerWaalsContact CG-CG 3.43Å; F38-Y45 HydrophobicContact CZ-CG 4.46Å; Y43-Y45 WeakPolarHBondContact O-CD1 3.38Å; Y45-I47 HydrophobicContact CD2-CD1 4.36Å; Y45-I47 HydrophobicContact CD2-CG1 4Å; Y45-I47 HydrophobicContact CE2-CD1 3.95Å; Y45-I47 HydrophobicContact CE2-CG1 4.06Å
46E98.1Very high96.2Very high3 Ų339 Ų391%0.01424%0.239CC..EExtended strand (participates in β ladder)trans-146.2151.5163.666.7-171.3-176.300109.1K13 Y14 S15 V16 I48 L75 A96 T97K13-E46 VanDerWaalsContact CE-OE2 3.32Å; K13-E46 WeakPolarHBondContact CE-OE2 3.37Å; K13-E46 IonicContact NZ-OE2 3.94Å; K13-E46 PolarHBondContact NZ-OE2 3.32Å; Y14-E46 PolarHBondContact O-N 2.91Å; S15-E46 WeakPolarHBondContact CA-O 3.47Å; S15-E46 WeakPolarHBondContact CB-OE1 3.07Å; S15-E46 WeakPolarHBondContact OG-CG 3.31Å; S15-E46 PolarHBondContact OG-OE1 3.34Å; V16-E46 PolarHBondContact N-O 3.5Å; E46-I48 HydrophobicContact CG-CG1 4.34Å; E46-L75 HydrophobicContact CB-CD1 3.61Å; E46-L75 HydrophobicContact CG-CD1 4.07Å; E46-A96 WeakPolarHBondContact OE1-CA 3.08Å; E46-T97 VanDerWaalsContact CD-OG1 3.27Å; E46-T97 PolarHBondContact OE1-N 2.9Å; E46-T97 PolarHBondContact OE1-OG1 3.18Å; E46-T97 PolarHBondContact OE2-OG1 2.97Å
47I98.5Very high96.1Very high0 Ų035.7 Ų35.70%023%0.227CC..EExtended strand (participates in β ladder)trans-115.3119.1179.2-56.9170000107.4V16 L18 V31 L34 V35 Y45 V49 K73 I74 L75V16-I47 HydrophobicContact CB-CG1 4.44Å; L18-I47 HydrophobicContact CD2-CG2 4.43Å; V31-I47 HydrophobicContact CG1-CD1 4.42Å; L34-I47 HydrophobicContact CB-CD1 3.55Å; L34-I47 HydrophobicContact CB-CG1 4.42Å; L34-I47 HydrophobicContact CD1-CD1 3.93Å; L34-I47 HydrophobicContact CD1-CG1 4.29Å; L34-I47 HydrophobicContact CD1-CG2 4.2Å; L34-I47 HydrophobicContact CG-CD1 4.36Å; V35-I47 HydrophobicContact CG2-CD1 4.22Å; Y45-I47 HydrophobicContact CD2-CD1 4.36Å; Y45-I47 HydrophobicContact CD2-CG1 4Å; Y45-I47 HydrophobicContact CE2-CD1 3.95Å; Y45-I47 HydrophobicContact CE2-CG1 4.06Å; I47-V49 HydrophobicContact CG2-CG2 4.33Å; I47-K73 PolarHBondContact N-O 2.97Å; I47-I74 HydrophobicContact CB-CD1 3.87Å; I47-I74 HydrophobicContact CD1-CD1 3.72Å; I47-I74 HydrophobicContact CG1-CD1 4.22Å; I47-I74 HydrophobicContact CG2-CD1 4.49Å; I47-I74 CarbonylContact O-C 3.39Å; I47-I74 WeakPolarHBondContact O-CA 3.32Å; I47-L75 PolarHBondContact O-N 2.9Å
48I98.4Very high96.1Very high0 Ų033.5 Ų33.50%022%0.219CC..EExtended strand (participates in β ladder)trans-106.5101.9-178.4-49.6-175.2000107.9V16 L17 L18 E46 I50 L75 R77 A96V16-I48 PolarHBondContact O-N 3.47Å; L17-I48 HydrophobicContact CD2-CB 3.93Å; L17-I48 HydrophobicContact CD2-CD1 3.76Å; L17-I48 HydrophobicContact CD2-CG1 4.18Å; L17-I48 HydrophobicContact CD2-CG2 4.45Å; L18-I48 PolarHBondContact N-O 3.23Å; E46-I48 HydrophobicContact CG-CG1 4.34Å; I48-I50 HydrophobicContact CG2-CG1 4.13Å; I48-L75 CarbonylContact C-O 3.33Å; I48-L75 WeakPolarHBondContact CA-O 3.34Å; I48-L75 HydrophobicContact CG1-CB 4.32Å; I48-L75 HydrophobicContact CG1-CD1 4.32Å; I48-L75 HydrophobicContact CG2-CB 4.49Å; I48-R77 HydrophobicContact CG2-CB 4.21Å; I48-R77 HydrophobicContact CG2-CG 3.64Å; I48-A96 HydrophobicContact CD1-CB 3.74Å
49V98.2Very high96.1Very high3 Ų335.6 Ų35.62%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-82.1117.9177.1-176.10000108.5T20 L27 I47 A62 I74 L75 L76 R77T20-V49 HydrophobicContact CG2-CG1 4.09Å; L27-V49 HydrophobicContact CD1-CG1 4.26Å; L27-V49 HydrophobicContact CD1-CG2 4.3Å; L27-V49 HydrophobicContact CD2-CG1 4.24Å; I47-V49 HydrophobicContact CG2-CG2 4.33Å; V49-A62 HydrophobicContact CG1-CB 4.06Å; V49-I74 HydrophobicContact CG2-CG2 4.18Å; V49-L75 PolarHBondContact N-O 3.03Å; V49-L76 HydrophobicContact CB-CD2 3.94Å; V49-L76 HydrophobicContact CG2-CD2 4.25Å; V49-R77 PolarHBondContact O-N 3.2Å
50I97.6Very high96.2Very high0 Ų037.6 Ų37.60%022%0.224CC..EExtended strand (participates in β ladder)trans-112.190.7-177.3-55.2139.9000107.8L17 L18 P19 T20 I48 R77 R79 A88L17-I50 HydrophobicContact CB-CD1 3.97Å; L17-I50 HydrophobicContact CD2-CD1 4.44Å; L18-I50 PolarHBondContact O-N 2.88Å; P19-I50 WeakPolarHBondContact CA-O 3.33Å; T20-I50 PolarHBondContact N-O 3.2Å; I48-I50 HydrophobicContact CG2-CG1 4.13Å; I50-R77 HydrophobicContact CG1-CB 4.36Å; I50-R79 HydrophobicContact CG2-CG 4.25Å; I50-A88 HydrophobicContact CG2-CB 4.01Å
51D96.6Very high96.3Very high4 Ų432 Ų322%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-83.4127.8-178.9-170.271.5000112.2T20 G53 S54 T58 P78 R79T20-D51 VanDerWaalsContact OG1-CA 3.27Å; T20-D51 WeakPolarHBondContact OG1-CA 3.42Å; T20-D51 WeakPolarHBondContact OG1-CB 3.21Å; T20-D51 PolarHBondContact OG1-OD1 3.48Å; D51-G53 PolarHBondContact O-N 3.04Å; D51-G53 PolarHBondContact OD2-N 3.16Å; D51-G53 VanDerWaalsContact OD2-N 3.16Å; D51-S54 VanDerWaalsContact OD1-CB 3.32Å; D51-S54 WeakPolarHBondContact OD1-CB 3.41Å; D51-S54 PolarHBondContact OD1-OG 2.84Å; D51-S54 PolarHBondContact OD2-N 3.26Å; D51-S54 PolarHBondContact OD2-OG 3.36Å; D51-T58 WeakPolarHBondContact OD1-CG2 3.48Å; D51-P78 HydrophobicContact CB-CB 4.49Å; D51-P78 CarbonylContact O-C 3.52Å; D51-P78 WeakPolarHBondContact O-CA 3.45Å; D51-R79 PolarHBondContact O-N 2.89Å
52D93.9Very high96.4Very high10 Ų1030.2 Ų30.25%0.05319%0.186CC..  trans-9033.2-175.2-86.46.6000113.9T20 Y21 R79 K81 K82T20-D52 PolarHBondContact O-N 3.11Å; Y21-D52 HydrophobicContact CD2-CB 3.85Å; D52-R79 IonicContact OD1-CZ 2.94Å; D52-R79 IonicContact OD1-NE 3.08Å; D52-R79 PolarHBondContact OD1-NE 3.36Å; D52-R79 IonicContact OD1-NH2 3.65Å; D52-R79 PolarHBondContact OD1-NH2 3.14Å; D52-R79 IonicContact OD2-CZ 3.23Å; D52-R79 IonicContact OD2-NH2 3.17Å; D52-R79 PolarHBondContact OD2-NH2 3.23Å; D52-K81 CarbonylContact O-C 3.15Å; D52-K81 WeakPolarHBondContact O-CA 3.24Å; D52-K82 HydrophobicContact CB-CB 4.16Å; D52-K82 HydrophobicContact CB-CG 4.36Å; D52-K82 PolarHBondContact O-N 3.39Å
53G92.6Very high96.6Very high36 Ų3631 Ų3137%0.37117%0.171SC..  trans7451.1-177.900000111D51 P55 R79D51-G53 PolarHBondContact O-N 3.04Å; D51-G53 PolarHBondContact OD2-N 3.16Å; D51-G53 VanDerWaalsContact OD2-N 3.16Å; G53-P55 WeakPolarHBondContact O-CD 3.44Å; G53-R79 PolarHBondContact N-O 3.43Å
54S93.4Very high96.7Very high14 Ų1433.2 Ų33.210%0.09818%0.184CC..  trans-67.7124.6-177.4-62.50000111.6Y21 N22 D51 D56Y21-S54 VanDerWaalsContact CA-OG 3.31Å; Y21-S54 WeakPolarHBondContact CA-OG 3.46Å; N22-S54 PolarHBondContact N-OG 2.87Å; N22-S54 VanDerWaalsContact N-OG 3.12Å; D51-S54 VanDerWaalsContact OD1-CB 3.32Å; D51-S54 WeakPolarHBondContact OD1-CB 3.41Å; D51-S54 PolarHBondContact OD1-OG 2.84Å; D51-S54 PolarHBondContact OD2-N 3.26Å; D51-S54 PolarHBondContact OD2-OG 3.36Å; S54-D56 VanDerWaalsContact C-N 3.32Å; S54-D56 VanDerWaalsContact CB-OD1 3.3Å; S54-D56 WeakPolarHBondContact CB-OD1 3.44Å
55P93.4Very high96.7Very high105 Ų10529.8 Ų29.868%0.68217%0.165SC*.THydrogen-bonded Turntrans-78.4-11.3176.731.8-39000114.4N22 G53 G57N22-P55 VanDerWaalsContact OD1-CD 3.27Å; N22-P55 WeakPolarHBondContact OD1-CD 3.47Å; G53-P55 WeakPolarHBondContact O-CD 3.44Å; P55-G57 PolarHBondContact O-N 3.43Å
56D94.3Very high96.7Very high52 Ų5231.2 Ų31.228%0.27817%0.173SC..THydrogen-bonded Turntrans-83.41.8-17774.6-23.8000113.7N22 E23 R24 S54 T58N22-D56 WeakPolarHBondContact CA-OD2 3.4Å; E23-D56 PolarHBondContact N-OD2 2.85Å; R24-D56 WeakPolarHBondContact CB-OD2 3.44Å; R24-D56 VanDerWaalsContact CD-O 3.29Å; R24-D56 WeakPolarHBondContact CD-O 3.24Å; R24-D56 PolarHBondContact N-OD2 2.78Å; R24-D56 VanDerWaalsContact N-OD2 3.17Å; R24-D56 PolarHBondContact NH1-O 2.85Å; R24-D56 VanDerWaalsContact NH1-O 3.07Å; S54-D56 VanDerWaalsContact C-N 3.32Å; S54-D56 VanDerWaalsContact CB-OD1 3.3Å; S54-D56 WeakPolarHBondContact CB-OD1 3.44Å; D56-T58 VanDerWaalsContact CG-OG1 3.24Å; D56-T58 WeakPolarHBondContact OD1-CB 3.35Å; D56-T58 PolarHBondContact OD1-N 3.07Å; D56-T58 PolarHBondContact OD1-OG1 2.99Å; D56-T58 PolarHBondContact OD2-OG1 3.07Å
57G96Very high96.7Very high8 Ų839.1 Ų39.18%0.08221%0.207CC..SBendtrans79.127.5-177.600000114.7R24 P55 L59 E60 V61R24-G57 PolarHBondContact NH1-O 2.94Å; P55-G57 PolarHBondContact O-N 3.43Å; G57-L59 PolarHBondContact O-N 2.87Å; G57-E60 WeakPolarHBondContact CA-OE2 3.38Å; G57-E60 PolarHBondContact O-N 3.25Å; G57-E60 VanDerWaalsContact O-OE2 3.07Å; G57-V61 PolarHBondContact O-N 3.04Å
58T96.7Very high96.7Very high0 Ų044.9 Ų44.90%024%0.237CC..Hα-helixtrans-57.1-37.1173.1-64.60000112.1T20 E23 R24 L27 D51 D56 V61 A62T20-T58 HydrophobicContact CG2-CG2 4.39Å; E23-T58 HydrophobicContact CB-CG2 4.42Å; E23-T58 PolarHBondContact N-OG1 3.39Å; R24-T58 PolarHBondContact N-OG1 3.5Å; L27-T58 HydrophobicContact CD2-CG2 3.91Å; D51-T58 WeakPolarHBondContact OD1-CG2 3.48Å; D56-T58 VanDerWaalsContact CG-OG1 3.24Å; D56-T58 WeakPolarHBondContact OD1-CB 3.35Å; D56-T58 PolarHBondContact OD1-N 3.07Å; D56-T58 PolarHBondContact OD1-OG1 2.99Å; D56-T58 PolarHBondContact OD2-OG1 3.07Å; T58-V61 PolarHBondContact O-N 2.97Å; T58-A62 PolarHBondContact O-N 2.96Å
59L97Very high96.6Very high46 Ų4647.6 Ų47.624%0.24125%0.247CC..Hα-helixtrans-65.3-41.7-178.3-179.158000112.1G57 V61 A62 E63 P78G57-L59 PolarHBondContact O-N 2.87Å; L59-V61 VanDerWaalsContact C-N 3.28Å; L59-V61 PolarHBondContact O-N 2.92Å; L59-A62 CarbonylContact O-C 3.59Å; L59-A62 WeakPolarHBondContact O-CA 3.44Å; L59-A62 VanDerWaalsContact O-CB 3.28Å; L59-A62 WeakPolarHBondContact O-CB 3.35Å; L59-A62 PolarHBondContact O-N 3.01Å; L59-E63 WeakPolarHBondContact O-CG 3.32Å; L59-E63 PolarHBondContact O-N 2.68Å; L59-P78 HydrophobicContact CD1-CB 4.03Å; L59-P78 HydrophobicContact CD1-CG 4.29Å; L59-P78 HydrophobicContact CD2-CB 4.1Å; L59-P78 HydrophobicContact CD2-CG 4.47Å
60E97.9Very high96.5Very high100 Ų10048.4 Ų48.447%0.46726%0.256SS..Hα-helixtrans-62.3-38.7177.9-66.183.5161.900110.7G57 E63 Q64G57-E60 WeakPolarHBondContact CA-OE2 3.38Å; G57-E60 PolarHBondContact O-N 3.25Å; G57-E60 VanDerWaalsContact O-OE2 3.07Å; E60-E63 PolarHBondContact O-N 3.25Å; E60-Q64 WeakPolarHBondContact O-CG 3.32Å; E60-Q64 PolarHBondContact O-N 2.58Å; E60-Q64 VanDerWaalsContact O-N 3.07Å
61V98Very high96.4Very high11 Ų1154.1 Ų54.17%0.06729%0.287CS..Hα-helixtrans-65.5-41.3172.61730000110.7R24 L27 P28 G57 T58 L59 E63 Q64 L65R24-V61 HydrophobicContact CG-CG2 3.66Å; L27-V61 HydrophobicContact CB-CG1 4.46Å; L27-V61 HydrophobicContact CD2-CG1 4.31Å; P28-V61 HydrophobicContact CG-CG1 3.54Å; G57-V61 PolarHBondContact O-N 3.04Å; T58-V61 PolarHBondContact O-N 2.97Å; L59-V61 VanDerWaalsContact C-N 3.28Å; L59-V61 PolarHBondContact O-N 2.92Å; V61-E63 VanDerWaalsContact C-N 3.33Å; V61-E63 PolarHBondContact O-N 2.72Å; V61-Q64 WeakPolarHBondContact O-CB 3.34Å; V61-Q64 PolarHBondContact O-N 3.22Å; V61-L65 HydrophobicContact CG1-CD1 4Å; V61-L65 HydrophobicContact CG1-CG 4.48Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.29Å; V61-L65 PolarHBondContact O-N 3.06Å
62A97.9Very high96.1Very high0 Ų058.9 Ų58.90%031%0.312CS..Hα-helixtrans-61.8-40.3176.500000112.2L27 V49 T58 L59 L65 Q66 L76L27-A62 HydrophobicContact CD2-CB 3.67Å; V49-A62 HydrophobicContact CG1-CB 4.06Å; T58-A62 PolarHBondContact O-N 2.96Å; L59-A62 CarbonylContact O-C 3.59Å; L59-A62 WeakPolarHBondContact O-CA 3.44Å; L59-A62 VanDerWaalsContact O-CB 3.28Å; L59-A62 WeakPolarHBondContact O-CB 3.35Å; L59-A62 PolarHBondContact O-N 3.01Å; A62-L65 PolarHBondContact O-N 2.96Å; A62-Q66 PolarHBondContact O-N 2.78Å; A62-L76 HydrophobicContact CB-CD1 4.38Å; A62-L76 HydrophobicContact CB-CD2 3.49Å; A62-L76 VanDerWaalsContact CB-CD2 3.49Å
63E98.3Very high96.2Very high84 Ų8462 Ų6239%0.39333%0.326SS..Hα-helixtrans-62.6-40.7173.6-70.2177.6173.100112.7L59 E60 V61 Q66 K67 L76L59-E63 WeakPolarHBondContact O-CG 3.32Å; L59-E63 PolarHBondContact O-N 2.68Å; E60-E63 PolarHBondContact O-N 3.25Å; V61-E63 VanDerWaalsContact C-N 3.33Å; V61-E63 PolarHBondContact O-N 2.72Å; E63-Q66 PolarHBondContact O-N 2.8Å; E63-K67 WeakPolarHBondContact O-CG 3.34Å; E63-K67 PolarHBondContact O-N 2.94Å; E63-L76 HydrophobicContact CB-CD1 4.26Å; E63-L76 HydrophobicContact CG-CD1 3.65Å
64Q98.2Very high96.4Very high113 Ų11360.3 Ų60.353%0.52831%0.308SS..Hα-helixtrans-63.3-44.2174.2-70.4172.76.100111.4E60 V61 Q66 K67 I68E60-Q64 WeakPolarHBondContact O-CG 3.32Å; E60-Q64 PolarHBondContact O-N 2.58Å; E60-Q64 VanDerWaalsContact O-N 3.07Å; V61-Q64 WeakPolarHBondContact O-CB 3.34Å; V61-Q64 PolarHBondContact O-N 3.22Å; Q64-Q66 VanDerWaalsContact C-N 3.33Å; Q64-Q66 PolarHBondContact O-N 3.23Å; Q64-K67 WeakPolarHBondContact O-CB 3.27Å; Q64-K67 PolarHBondContact O-N 3.33Å; Q64-I68 WeakPolarHBondContact O-CG1 3.47Å; Q64-I68 PolarHBondContact O-N 2.89Å; Q64-I68 VanDerWaalsContact O-N 3.08Å
65L98.1Very high96.6Very high14 Ų1460.7 Ų60.77%0.07331%0.309CS..Hα-helixtrans-63.7-39.3177.3-67.5165.7000111.7L27 P28 V31 V61 A62 K67 I68 Y69L27-L65 HydrophobicContact CD2-CD1 4.16Å; L27-L65 HydrophobicContact CG-CD1 3.75Å; P28-L65 HydrophobicContact CB-CD2 4.35Å; V31-L65 HydrophobicContact CB-CD1 4.19Å; V31-L65 HydrophobicContact CG1-CD1 4.47Å; V31-L65 HydrophobicContact CG1-CD2 4.39Å; V31-L65 HydrophobicContact CG2-CD1 4.07Å; V61-L65 HydrophobicContact CG1-CD1 4Å; V61-L65 HydrophobicContact CG1-CG 4.48Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.29Å; V61-L65 PolarHBondContact O-N 3.06Å; A62-L65 PolarHBondContact O-N 2.96Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 2.83Å; L65-I68 PolarHBondContact O-N 3.49Å; L65-Y69 HydrophobicContact CB-CD2 4.44Å; L65-Y69 HydrophobicContact CD2-CD2 4.42Å; L65-Y69 HydrophobicContact CD2-CE2 3.91Å; L65-Y69 WeakPolarHBondContact O-CD2 3.31Å; L65-Y69 PolarHBondContact O-N 2.99Å
66Q98.1Very high96.8Very high53 Ų5356.6 Ų56.625%0.24828%0.281CS..Hα-helixtrans-61.1-42.3173.8-176.8178.768.700111.9A62 E63 Q64 I68 G70 D71 I74 L76A62-Q66 PolarHBondContact O-N 2.78Å; E63-Q66 PolarHBondContact O-N 2.8Å; Q64-Q66 VanDerWaalsContact C-N 3.33Å; Q64-Q66 PolarHBondContact O-N 3.23Å; Q66-I68 VanDerWaalsContact C-N 3.28Å; Q66-I68 PolarHBondContact O-N 2.8Å; Q66-G70 CarbonylContact O-C 3.58Å; Q66-G70 WeakPolarHBondContact O-CA 3.42Å; Q66-G70 PolarHBondContact O-N 3.04Å; Q66-D71 HydrophobicContact CG-CB 4.05Å; Q66-I74 HydrophobicContact CB-CB 4.22Å; Q66-I74 HydrophobicContact CB-CG2 4.23Å; Q66-I74 HydrophobicContact CG-CB 4.46Å; Q66-I74 WeakPolarHBondContact CG-O 3.38Å; Q66-I74 PolarHBondContact NE2-O 2.99Å; Q66-L76 HydrophobicContact CB-CD1 4.25Å; Q66-L76 HydrophobicContact CB-CG 4.43Å
67K97.9Very high97Very high169 Ų16957.3 Ų57.374%0.73528%0.28SS*.Hα-helixtrans-62.8-34.3175.2-70.2168.6-175.4171.10112.8E63 Q64 L65E63-K67 WeakPolarHBondContact O-CG 3.34Å; E63-K67 PolarHBondContact O-N 2.94Å; Q64-K67 WeakPolarHBondContact O-CB 3.27Å; Q64-K67 PolarHBondContact O-N 3.33Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 2.83Å
68I97.8Very high97Very high121 Ų12160 Ų6062%0.62130%0.295SS*.Hα-helixtrans-75.5-46.2-179.7-67.7165.6000111.5Q64 L65 Q66Q64-I68 WeakPolarHBondContact O-CG1 3.47Å; Q64-I68 PolarHBondContact O-N 2.89Å; Q64-I68 VanDerWaalsContact O-N 3.08Å; L65-I68 PolarHBondContact O-N 3.49Å; Q66-I68 VanDerWaalsContact C-N 3.28Å; Q66-I68 PolarHBondContact O-N 2.8Å
69Y97.1Very high96.9Very high56 Ų5661.2 Ų61.222%0.2230%0.3CS..Hα-helixtrans-99.1-14.3-169.9-67.9-66.7000114.7V31 V35 L65 I74V31-Y69 HydrophobicContact CG1-CD2 3.91Å; V31-Y69 HydrophobicContact CG1-CE2 3.78Å; V35-Y69 HydrophobicContact CB-CD1 4.47Å; V35-Y69 HydrophobicContact CB-CE1 4.14Å; V35-Y69 HydrophobicContact CG1-CD1 4.01Å; V35-Y69 HydrophobicContact CG1-CE1 3.76Å; V35-Y69 HydrophobicContact CG2-CD1 3.9Å; V35-Y69 HydrophobicContact CG2-CD2 4.48Å; V35-Y69 HydrophobicContact CG2-CE1 3.93Å; V35-Y69 HydrophobicContact CG2-CG 4.18Å; L65-Y69 HydrophobicContact CB-CD2 4.44Å; L65-Y69 HydrophobicContact CD2-CD2 4.42Å; L65-Y69 HydrophobicContact CD2-CE2 3.91Å; L65-Y69 WeakPolarHBondContact O-CD2 3.31Å; L65-Y69 PolarHBondContact O-N 2.99Å; Y69-I74 HydrophobicContact CD2-CG1 4.35Å; Y69-I74 HydrophobicContact CG-CG1 4.43Å
70G96.7Very high96.5Very high20 Ų2064.1 Ų64.121%0.20633%0.331CS..  trans100.2147.4-175.800000113Q66 D72 K73 I74Q66-G70 CarbonylContact O-C 3.58Å; Q66-G70 WeakPolarHBondContact O-CA 3.42Å; Q66-G70 PolarHBondContact O-N 3.04Å; G70-D72 VanDerWaalsContact C-N 3.27Å; G70-K73 PolarHBondContact O-N 3.41Å; G70-I74 PolarHBondContact O-N 3.31Å
71D94.1Very high96Very high121 Ų12165.8 Ų65.865%0.64734%0.336SS*.THydrogen-bonded Turntrans-76-14176.562.7-14.9000113.3Q66Q66-D71 HydrophobicContact CG-CB 4.05Å
72D91.4Very high95.3Very high103 Ų10370.3 Ų70.355%0.55136%0.355SS*.THydrogen-bonded Turntrans-72.8-28.4168.668.2-52.9000112.5G70G70-D72 VanDerWaalsContact C-N 3.27Å
73K94.4Very high94.5Very high77 Ų7774.6 Ų74.634%0.33538%0.377SS..THydrogen-bonded Turntrans-100.7-40.4-179.2-67.2-173.8-174173.30113.6I47 G70I47-K73 PolarHBondContact N-O 2.97Å; G70-K73 PolarHBondContact O-N 3.41Å
74I97.8Very high93.7Very high0 Ų071.6 Ų71.60%037%0.37CS..EExtended strand (participates in β ladder)trans-113.2109.6-178.2-49-58.6000108.6V31 I47 V49 Q66 Y69 G70 L76V31-I74 HydrophobicContact CG1-CD1 3.78Å; I47-I74 HydrophobicContact CB-CD1 3.87Å; I47-I74 HydrophobicContact CD1-CD1 3.72Å; I47-I74 HydrophobicContact CG1-CD1 4.22Å; I47-I74 HydrophobicContact CG2-CD1 4.49Å; I47-I74 CarbonylContact O-C 3.39Å; I47-I74 WeakPolarHBondContact O-CA 3.32Å; V49-I74 HydrophobicContact CG2-CG2 4.18Å; Q66-I74 HydrophobicContact CB-CB 4.22Å; Q66-I74 HydrophobicContact CB-CG2 4.23Å; Q66-I74 HydrophobicContact CG-CB 4.46Å; Q66-I74 WeakPolarHBondContact CG-O 3.38Å; Q66-I74 PolarHBondContact NE2-O 2.99Å; Y69-I74 HydrophobicContact CD2-CG1 4.35Å; Y69-I74 HydrophobicContact CG-CG1 4.43Å; G70-I74 PolarHBondContact O-N 3.31Å; I74-L76 HydrophobicContact CG2-CD2 4.07Å
75L97.9Very high92.9Very high21 Ų2168.5 Ų68.511%0.1136%0.356CS..EExtended strand (participates in β ladder)trans-103.9123.6179-61.994.3000109.8E46 I47 I48 V49E46-L75 HydrophobicContact CB-CD1 3.61Å; E46-L75 HydrophobicContact CG-CD1 4.07Å; I47-L75 PolarHBondContact O-N 2.9Å; I48-L75 CarbonylContact C-O 3.33Å; I48-L75 WeakPolarHBondContact CA-O 3.34Å; I48-L75 HydrophobicContact CG1-CB 4.32Å; I48-L75 HydrophobicContact CG1-CD1 4.32Å; I48-L75 HydrophobicContact CG2-CB 4.49Å; V49-L75 PolarHBondContact N-O 3.03Å
76L97.9Very high92.2Very high19 Ų1968.4 Ų68.410%0.09936%0.359CS..EExtended strand (participates in β ladder)trans-94.4125.5178.8-53.7-176.1000110.4V49 A62 E63 Q66 I74 P78V49-L76 HydrophobicContact CB-CD2 3.94Å; V49-L76 HydrophobicContact CG2-CD2 4.25Å; A62-L76 HydrophobicContact CB-CD1 4.38Å; A62-L76 HydrophobicContact CB-CD2 3.49Å; A62-L76 VanDerWaalsContact CB-CD2 3.49Å; E63-L76 HydrophobicContact CB-CD1 4.26Å; E63-L76 HydrophobicContact CG-CD1 3.65Å; Q66-L76 HydrophobicContact CB-CD1 4.25Å; Q66-L76 HydrophobicContact CB-CG 4.43Å; I74-L76 HydrophobicContact CG2-CD2 4.07Å; L76-P78 VanDerWaalsContact C-CD 3.48Å
77R97.1Very high91.7Very high68 Ų6868.6 Ų68.626%0.25736%0.364SS..  trans-131.663.7-179.6-62.7-60.7174.8-112.45.3110.7I48 V49 I50 H91 H95I48-R77 HydrophobicContact CG2-CB 4.21Å; I48-R77 HydrophobicContact CG2-CG 3.64Å; V49-R77 PolarHBondContact O-N 3.2Å; I50-R77 HydrophobicContact CG1-CB 4.36Å; R77-H91 PolarHBondContact O-CE1 2.87Å; R77-H91 VanDerWaalsContact O-CE1 3.23Å; R77-H91 PolarHBondContact O-ND1 2.96Å; R77-H95 HydrophobicContact CG-CB 4.23Å; R77-H95 VanDerWaalsContact NE-CB 3.33Å; R77-H95 PolarHBondContact NE-ND1 2.9Å
78P95.8Very high91.3Very high63 Ų6360.5 Ų60.541%0.40933%0.329SS..  trans-64.9153.1-179.629.5-35.4000111.6D51 L59 L76D51-P78 HydrophobicContact CB-CB 4.49Å; D51-P78 CarbonylContact O-C 3.52Å; D51-P78 WeakPolarHBondContact O-CA 3.45Å; L59-P78 HydrophobicContact CD1-CB 4.03Å; L59-P78 HydrophobicContact CD1-CG 4.29Å; L59-P78 HydrophobicContact CD2-CB 4.1Å; L59-P78 HydrophobicContact CD2-CG 4.47Å; L76-P78 VanDerWaalsContact C-CD 3.48Å
79R95.3Very high91Very high27 Ų2754.8 Ų54.810%0.10230%0.299CS..  trans-126.4152.8177.4-53.6-165.7-60.9164.5-0.8109.1I50 D51 D52 G53 K81 G84 T87I50-R79 HydrophobicContact CG2-CG 4.25Å; D51-R79 PolarHBondContact O-N 2.89Å; D52-R79 IonicContact OD1-CZ 2.94Å; D52-R79 IonicContact OD1-NE 3.08Å; D52-R79 PolarHBondContact OD1-NE 3.36Å; D52-R79 IonicContact OD1-NH2 3.65Å; D52-R79 PolarHBondContact OD1-NH2 3.14Å; D52-R79 IonicContact OD2-CZ 3.23Å; D52-R79 IonicContact OD2-NH2 3.17Å; D52-R79 PolarHBondContact OD2-NH2 3.23Å; G53-R79 PolarHBondContact N-O 3.43Å; R79-K81 PolarHBondContact O-N 3.07Å; R79-G84 PolarHBondContact NH2-O 3.23Å; R79-G84 VanDerWaalsContact NH2-O 3.1Å; R79-T87 PolarHBondContact NH1-O 2.77Å; R79-T87 PolarHBondContact NH1-OG1 3.45Å
80A89.1Confident90.6Very high106 Ų10655.2 Ų55.288%0.87631%0.305SS*.SBendtrans-63.7-27.9-175.300000114.2
81K87.4Confident90.5Very high135 Ų13556.8 Ų56.859%0.58731%0.306SS*.SBendtrans-163.1169.3179.866-171.7-179.7-175.80111.5D52 R79 L83D52-K81 CarbonylContact O-C 3.15Å; D52-K81 WeakPolarHBondContact O-CA 3.24Å; R79-K81 PolarHBondContact O-N 3.07Å; K81-L83 HydrophobicContact CD-CD2 4.22Å; K81-L83 VanDerWaalsContact CE-CD2 3.49Å; K81-L83 HydrophobicContact CG-CD2 3.79Å; K81-L83 HydrophobicContact CG-CG 4.03Å; K81-L83 PolarHBondContact O-N 3.12Å; K81-L83 VanDerWaalsContact O-N 3.09Å
82K83.6Confident90.5Very high107 Ų10751 Ų5147%0.46528%0.276SS..  trans-66.8103.3172.7-166.7175.9-177.4-177.60112.1Y21 D52Y21-K82 HydrophobicContact CD1-CD 4.27Å; Y21-K82 HydrophobicContact CD2-CB 4.21Å; Y21-K82 HydrophobicContact CD2-CD 4.12Å; Y21-K82 HydrophobicContact CD2-CG 4.47Å; Y21-K82 HydrophobicContact CE1-CD 4.43Å; Y21-K82 HydrophobicContact CE2-CB 4.17Å; Y21-K82 HydrophobicContact CE2-CD 4.28Å; Y21-K82 HydrophobicContact CG-CD 4.09Å; D52-K82 HydrophobicContact CB-CB 4.16Å; D52-K82 HydrophobicContact CB-CG 4.36Å; D52-K82 PolarHBondContact O-N 3.39Å
83L81.6Confident90.6Very high89 Ų8946.9 Ų46.947%0.46625%0.253SS..  trans-105.18.2-179.6-65.5175.3000113.4K81 T87K81-L83 HydrophobicContact CD-CD2 4.22Å; K81-L83 VanDerWaalsContact CE-CD2 3.49Å; K81-L83 HydrophobicContact CG-CD2 3.79Å; K81-L83 HydrophobicContact CG-CG 4.03Å; K81-L83 PolarHBondContact O-N 3.12Å; K81-L83 VanDerWaalsContact O-N 3.09Å; L83-T87 VanDerWaalsContact C-OG1 3.26Å; L83-T87 WeakPolarHBondContact CB-OG1 3.39Å; L83-T87 PolarHBondContact O-OG1 3.19Å
84G80.4Confident90.6Very high22 Ų2250.8 Ų50.823%0.22727%0.27CS..  trans97.8163.6-178.300000113.7R79 T87 A88R79-G84 PolarHBondContact NH2-O 3.23Å; R79-G84 VanDerWaalsContact NH2-O 3.1Å; G84-T87 PolarHBondContact O-OG1 2.89Å; G84-A88 PolarHBondContact O-N 2.84Å
85L81.4Confident90.5Very high47 Ų4754.4 Ų54.425%0.24629%0.287CS..Hα-helixtrans-71.7-44.3-170.2-168.863.9000113P19 T87 A88 Y89P19-L85 HydrophobicContact CB-CD1 3.96Å; P19-L85 HydrophobicContact CG-CD1 3.8Å; L85-T87 VanDerWaalsContact C-N 3.31Å; L85-T87 PolarHBondContact O-N 2.94Å; L85-A88 WeakPolarHBondContact O-CA 3.5Å; L85-A88 VanDerWaalsContact O-CB 3.26Å; L85-A88 WeakPolarHBondContact O-CB 3.34Å; L85-A88 PolarHBondContact O-N 2.99Å; L85-Y89 HydrophobicContact CD1-CE1 4.25Å; L85-Y89 HydrophobicContact CD1-CE2 4.19Å; L85-Y89 HydrophobicContact CD2-CE2 3.96Å; L85-Y89 HydrophobicContact CG-CD2 4.32Å; L85-Y89 HydrophobicContact CG-CE2 3.57Å; L85-Y89 PolarHBondContact O-N 3.19Å
86G83.3Confident90.4Very high13 Ų1353.6 Ų53.613%0.13428%0.283CS..Hα-helixtrans-58.8-41.2177.700000112.8A88 Y89 I90G86-A88 VanDerWaalsContact C-N 3.28Å; G86-A88 PolarHBondContact O-N 3.01Å; G86-Y89 PolarHBondContact O-N 3.24Å; G86-I90 WeakPolarHBondContact O-CG1 3.4Å; G86-I90 PolarHBondContact O-N 2.69Å
87T87.9Confident90.3Very high56 Ų5657 Ų5734%0.34431%0.305SS..Hα-helixtrans-69.2-28.5176.962.90000112.1R79 L83 G84 L85 H91R79-T87 PolarHBondContact NH1-O 2.77Å; R79-T87 PolarHBondContact NH1-OG1 3.45Å; L83-T87 VanDerWaalsContact C-OG1 3.26Å; L83-T87 WeakPolarHBondContact CB-OG1 3.39Å; L83-T87 PolarHBondContact O-OG1 3.19Å; G84-T87 PolarHBondContact O-OG1 2.89Å; L85-T87 VanDerWaalsContact C-N 3.31Å; L85-T87 PolarHBondContact O-N 2.94Å; T87-H91 WeakPolarHBondContact O-CB 3.4Å; T87-H91 PolarHBondContact O-N 3.18Å
88A90.3Very high90.3Very high0 Ų053.8 Ų53.80%029%0.293CS..Hα-helixtrans-65.7-43.5173.100000110.2P19 I50 G84 L85 G86 H91 G92P19-A88 HydrophobicContact CB-CB 4.14Å; P19-A88 HydrophobicContact CG-CB 4.25Å; I50-A88 HydrophobicContact CG2-CB 4.01Å; G84-A88 PolarHBondContact O-N 2.84Å; L85-A88 WeakPolarHBondContact O-CA 3.5Å; L85-A88 VanDerWaalsContact O-CB 3.26Å; L85-A88 WeakPolarHBondContact O-CB 3.34Å; L85-A88 PolarHBondContact O-N 2.99Å; G86-A88 VanDerWaalsContact C-N 3.28Å; G86-A88 PolarHBondContact O-N 3.01Å; A88-H91 WeakPolarHBondContact O-CB 3.16Å; A88-H91 PolarHBondContact O-N 2.9Å; A88-G92 PolarHBondContact O-N 2.88Å
89Y90.6Very high90.4Very high0 Ų054.2 Ų54.20%029%0.292CS..Hα-helixtrans-65.7-42.7176.7-61.3-38.7000112.6L17 P19 L85 G86 H91 G92 M93 I103 F196 Q197L17-Y89 HydrophobicContact CB-CD1 4.26Å; L17-Y89 HydrophobicContact CD1-CD1 4.17Å; P19-Y89 HydrophobicContact CG-CD1 4.03Å; P19-Y89 HydrophobicContact CG-CE1 3.49Å; P19-Y89 VanDerWaalsContact CG-CE1 3.49Å; L85-Y89 HydrophobicContact CD1-CE1 4.25Å; L85-Y89 HydrophobicContact CD1-CE2 4.19Å; L85-Y89 HydrophobicContact CD2-CE2 3.96Å; L85-Y89 HydrophobicContact CG-CD2 4.32Å; L85-Y89 HydrophobicContact CG-CE2 3.57Å; L85-Y89 PolarHBondContact O-N 3.19Å; G86-Y89 PolarHBondContact O-N 3.24Å; Y89-H91 VanDerWaalsContact C-N 3.28Å; Y89-H91 PolarHBondContact O-N 3.27Å; Y89-G92 PolarHBondContact O-N 2.79Å; Y89-M93 WeakPolarHBondContact O-CB 3.24Å; Y89-M93 VanDerWaalsContact O-CG 3.25Å; Y89-M93 WeakPolarHBondContact O-CG 3.33Å; Y89-M93 PolarHBondContact O-N 3.3Å; Y89-I103 HydrophobicContact CD1-CB 4.45Å; Y89-I103 HydrophobicContact CD1-CG2 3.79Å; Y89-I103 HydrophobicContact CE1-CB 3.82Å; Y89-I103 HydrophobicContact CE1-CG2 3.68Å; Y89-I103 HydrophobicContact CE2-CD1 4.06Å; Y89-I103 HydrophobicContact CG-CG2 4.3Å; Y89-F196 AromaticContact CD2-CE1 3.62Å; Y89-F196 HydrophobicContact CD2-CE1 3.62Å; Y89-F196 AromaticContact CD2-CZ 3.74Å; Y89-F196 HydrophobicContact CD2-CZ 3.74Å; Y89-F196 HydrophobicContact CE2-CD1 4.33Å; Y89-F196 AromaticContact CE2-CE1 3.55Å; Y89-F196 HydrophobicContact CE2-CE1 3.55Å; Y89-F196 HydrophobicContact CE2-CZ 4.17Å; Y89-Q197 PolarHBondContact OH-NE2 2.89Å
90I89.9Confident90.6Very high66 Ų6653.6 Ų53.634%0.33829%0.29SS..Hα-helixtrans-56.3-47.6172.4-62.6174.5000110.1G86 M93 K94 V186G86-I90 WeakPolarHBondContact O-CG1 3.4Å; G86-I90 PolarHBondContact O-N 2.69Å; I90-M93 PolarHBondContact O-N 3.05Å; I90-K94 WeakPolarHBondContact O-CG 3.45Å; I90-K94 PolarHBondContact O-N 3.14Å; I90-V186 HydrophobicContact CD1-CG1 3.64Å; I90-V186 HydrophobicContact CG1-CB 4.43Å; I90-V186 HydrophobicContact CG1-CG1 3.18Å
91H93.2Very high91Very high52 Ų5248.5 Ų48.524%0.24125%0.248CC..Hα-helixtrans-59.9-51179.3-172.9-112.7000111.1R77 T87 A88 Y89 M93 K94 H95R77-H91 PolarHBondContact O-CE1 2.87Å; R77-H91 VanDerWaalsContact O-CE1 3.23Å; R77-H91 PolarHBondContact O-ND1 2.96Å; T87-H91 WeakPolarHBondContact O-CB 3.4Å; T87-H91 PolarHBondContact O-N 3.18Å; A88-H91 WeakPolarHBondContact O-CB 3.16Å; A88-H91 PolarHBondContact O-N 2.9Å; Y89-H91 VanDerWaalsContact C-N 3.28Å; Y89-H91 PolarHBondContact O-N 3.27Å; H91-M93 PolarHBondContact O-N 2.92Å; H91-K94 PolarHBondContact O-N 2.92Å; H91-H95 PolarHBondContact O-CD2 3.34Å; H91-H95 VanDerWaalsContact O-CD2 3.28Å
92G94.6Very high91.5Very high0 Ų042.1 Ų42.10%022%0.221CC..Hα-helixtrans-59.8-45.5177.800000113.6A88 Y89 K94 H95 A96A88-G92 PolarHBondContact O-N 2.88Å; Y89-G92 PolarHBondContact O-N 2.79Å; G92-K94 VanDerWaalsContact C-N 3.3Å; G92-K94 PolarHBondContact O-N 2.84Å; G92-H95 PolarHBondContact O-N 3.11Å; G92-A96 PolarHBondContact O-N 2.8Å; G92-A96 VanDerWaalsContact O-N 3.11Å
93M94Very high92.1Very high16 Ų1637 Ų378%0.07920%0.198CC..Hα-helixtrans-60.1-35.4-178.7-78.3-166.7-63.400113.7L17 Y89 I90 H91 H95 A96 L182 V186L17-M93 HydrophobicContact CD1-CG 3.79Å; Y89-M93 WeakPolarHBondContact O-CB 3.24Å; Y89-M93 VanDerWaalsContact O-CG 3.25Å; Y89-M93 WeakPolarHBondContact O-CG 3.33Å; Y89-M93 PolarHBondContact O-N 3.3Å; I90-M93 PolarHBondContact O-N 3.05Å; H91-M93 PolarHBondContact O-N 2.92Å; M93-H95 PolarHBondContact O-N 3.28Å; M93-A96 WeakPolarHBondContact O-CB 3.27Å; M93-A96 PolarHBondContact O-N 3.42Å; M93-A96 VanDerWaalsContact O-N 3.14Å; M93-L182 HydrophobicContact CE-CG 4.24Å; M93-L182 HydrophobicContact CG-CD2 3.97Å; M93-L182 HydrophobicContact SD-CB 3.87Å; M93-L182 HydrophobicContact SD-CD2 3.45Å; M93-L182 WeakPolarHBondContact SD-CD2 3.5Å; M93-L182 HydrophobicContact SD-CG 3.4Å; M93-L182 WeakPolarHBondContact SD-CG 3.41Å; M93-V186 HydrophobicContact CE-CB 4.05Å; M93-V186 HydrophobicContact CE-CG1 4.29Å; M93-V186 HydrophobicContact CE-CG2 4.04Å
94K93.9Very high92.7Very high160 Ų16032.8 Ų32.870%0.69618%0.176SC*.Hα-helixtrans-59.8-25.9176.9-75.2178.2179.5-173.30112.8I90 H91 G92I90-K94 WeakPolarHBondContact O-CG 3.45Å; I90-K94 PolarHBondContact O-N 3.14Å; H91-K94 PolarHBondContact O-N 2.92Å; G92-K94 VanDerWaalsContact C-N 3.3Å; G92-K94 PolarHBondContact O-N 2.84Å
95H94.9Very high93.1Very high75 Ų7533.8 Ų33.835%0.34718%0.176SC..Hα-helixtrans-106.5-3.6-179.9-61.2-100.8000113R77 H91 G92 M93R77-H95 HydrophobicContact CG-CB 4.23Å; R77-H95 VanDerWaalsContact NE-CB 3.33Å; R77-H95 PolarHBondContact NE-ND1 2.9Å; H91-H95 PolarHBondContact O-CD2 3.34Å; H91-H95 VanDerWaalsContact O-CD2 3.28Å; G92-H95 PolarHBondContact O-N 3.11Å; M93-H95 PolarHBondContact O-N 3.28Å
96A96.8Very high93.5Very high4 Ų431.6 Ų31.63%0.03317%0.165CC..  trans-72.9127176.600000111E46 I48 G92 M93 I101 K179E46-A96 WeakPolarHBondContact OE1-CA 3.08Å; I48-A96 HydrophobicContact CD1-CB 3.74Å; G92-A96 PolarHBondContact O-N 2.8Å; G92-A96 VanDerWaalsContact O-N 3.11Å; M93-A96 WeakPolarHBondContact O-CB 3.27Å; M93-A96 PolarHBondContact O-N 3.42Å; M93-A96 VanDerWaalsContact O-N 3.14Å; A96-I101 HydrophobicContact CB-CD1 3.59Å; A96-K179 PolarHBondContact O-NZ 3.09Å
97T96.6Very high93.7Very high91 Ų9132.2 Ų32.256%0.55817%0.165SC*.  trans-96.7-15.2175.567.40000112.7K13 E46K13-T97 WeakPolarHBondContact CE-OG1 3.32Å; K13-T97 PolarHBondContact NZ-OG1 2.89Å; E46-T97 VanDerWaalsContact CD-OG1 3.27Å; E46-T97 PolarHBondContact OE1-N 2.9Å; E46-T97 PolarHBondContact OE1-OG1 3.18Å; E46-T97 PolarHBondContact OE2-OG1 2.97Å
98G96.9Very high93.6Very high1 Ų130.7 Ų30.71%0.0116%0.155CC..  trans-68.9147.2176.600000113.7K13 S15 F100 K179K13-G98 CarbonylContact O-C 3.59Å; K13-G98 WeakPolarHBondContact O-CA 3.39Å; S15-G98 WeakPolarHBondContact OG-CA 3.25Å; S15-G98 PolarHBondContact OG-N 2.86Å; G98-F100 VanDerWaalsContact C-N 3.29Å; G98-K179 VanDerWaalsContact O-CD 3.31Å; G98-K179 WeakPolarHBondContact O-CD 3.31Å
99N97.4Very high93.3Very high72 Ų7230.8 Ų30.839%0.38516%0.156SC..SBendtrans-79.3-16.2171.760.1-37.4000112.4D12 K13 K179D12-N99 WeakPolarHBondContact CA-OD1 3.42Å; D12-N99 PolarHBondContact OD1-ND2 3.32Å; K13-N99 PolarHBondContact N-OD1 3.47Å; K13-N99 PolarHBondContact O-N 2.83Å; K13-N99 PolarHBondContact O-OD1 3.17Å; N99-K179 WeakPolarHBondContact O-CB 3.21Å; N99-K179 PolarHBondContact O-N 2.67Å
100F98.4Very high93.2Very high13 Ų1330.9 Ų30.96%0.05716%0.156CC..EExtended strand (participates in β ladder)trans-117.7141171.8-69.6-82.6000111.2D12 K13 Y14 S15 G98 Q122 L176 Y177 K178D12-F100 HydrophobicContact CB-CD2 4.07Å; D12-F100 HydrophobicContact CB-CE2 4.06Å; D12-F100 WeakPolarHBondContact OD1-CE2 3.33Å; K13-F100 PolarHBondContact O-N 3.39Å; Y14-F100 WeakPolarHBondContact CA-O 3.37Å; Y14-F100 HydrophobicContact CD1-CB 3.39Å; Y14-F100 HydrophobicContact CD1-CD2 4.26Å; Y14-F100 HydrophobicContact CD1-CG 4Å; Y14-F100 HydrophobicContact CE1-CB 3.62Å; Y14-F100 HydrophobicContact CE1-CD1 4.47Å; Y14-F100 AromaticContact CE1-CD2 3.67Å; Y14-F100 HydrophobicContact CE1-CD2 3.67Å; Y14-F100 HydrophobicContact CE1-CE2 4.47Å; Y14-F100 AromaticContact CE1-CG 3.66Å; Y14-F100 HydrophobicContact CE1-CG 3.66Å; Y14-F100 HydrophobicContact CG-CB 4.35Å; S15-F100 PolarHBondContact N-O 2.89Å; G98-F100 VanDerWaalsContact C-N 3.29Å; F100-Q122 HydrophobicContact CD1-CG 4.46Å; F100-Q122 HydrophobicContact CE1-CG 3.81Å; F100-Q122 HydrophobicContact CZ-CG 4.5Å; F100-L176 HydrophobicContact CD1-CD2 4.17Å; F100-Y177 CarbonylContact C-O 3.42Å; F100-Y177 WeakPolarHBondContact CA-O 3.42Å; F100-K178 HydrophobicContact CD1-CG 4.25Å; F100-K178 HydrophobicContact CE1-CG 3.64Å; F100-K178 HydrophobicContact CZ-CG 4.41Å
101I98.4Very high93.3Very high0 Ų030.5 Ų30.50%015%0.153CC..EExtended strand (participates in β ladder)trans-115.8126.6178.6-50.7-60.9000109.5S15 L17 A96 I103 L176 Y177 K179 L182S15-I101 CarbonylContact O-C 3.54Å; S15-I101 WeakPolarHBondContact O-CA 3.37Å; L17-I101 HydrophobicContact CD1-CG2 3.64Å; L17-I101 HydrophobicContact CD2-CG2 4.45Å; L17-I101 HydrophobicContact CG-CG2 3.62Å; A96-I101 HydrophobicContact CB-CD1 3.59Å; I101-I103 HydrophobicContact CG2-CG2 4.26Å; I101-L176 CarbonylContact O-C 3.53Å; I101-L176 WeakPolarHBondContact O-CA 3.45Å; I101-Y177 PolarHBondContact N-O 3.24Å; I101-Y177 PolarHBondContact O-N 3.26Å; I101-K179 HydrophobicContact CD1-CB 4.3Å; I101-K179 HydrophobicContact CD1-CD 4.28Å; I101-K179 HydrophobicContact CD1-CG 4.13Å; I101-K179 HydrophobicContact CG1-CB 3.95Å; I101-K179 HydrophobicContact CG1-CG 4.03Å; I101-L182 HydrophobicContact CB-CD2 3.79Å; I101-L182 HydrophobicContact CG1-CD2 4.22Å; I101-L182 HydrophobicContact CG2-CD2 3.49Å; I101-L182 VanDerWaalsContact CG2-CD2 3.49Å
102I98.2Very high93.5Very high1 Ų128 Ų281%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-103.8124.8169.9-63.6163.2000107.2Y14 S15 V16 L17 F38 I115 F174 R175 L176Y14-I102 HydrophobicContact CD1-CD1 4.48Å; S15-I102 PolarHBondContact O-N 3.15Å; V16-I102 CarbonylContact C-O 3.58Å; V16-I102 WeakPolarHBondContact CA-O 3.39Å; V16-I102 HydrophobicContact CG1-CG2 4.45Å; V16-I102 HydrophobicContact CG2-CB 4.22Å; V16-I102 HydrophobicContact CG2-CD1 4.22Å; L17-I102 PolarHBondContact N-O 3.13Å; F38-I102 HydrophobicContact CZ-CD1 3.9Å; I102-I115 HydrophobicContact CD1-CD1 4.35Å; I102-I115 HydrophobicContact CD1-CG1 4.44Å; I102-I115 HydrophobicContact CD1-CG2 3.68Å; I102-F174 HydrophobicContact CG2-CD2 4.31Å; I102-F174 HydrophobicContact CG2-CE2 3.81Å; I102-R175 CarbonylContact C-O 3.58Å; I102-R175 WeakPolarHBondContact CA-O 3.48Å; I102-L176 HydrophobicContact CD1-CD1 4.09Å; I102-L176 HydrophobicContact CG1-CB 4.19Å; I102-L176 HydrophobicContact CG1-CD1 3.71Å; I102-L176 HydrophobicContact CG1-CG 4.22Å
103I95.4Very high93.5Very high0 Ų032 Ų320%016%0.159CC..EExtended strand (participates in β ladder)trans-105.9136.2168.960165.6000108.7L17 Y89 I101 S173 F174 R175 Y177 L182L17-I103 HydrophobicContact CB-CG2 4.31Å; L17-I103 HydrophobicContact CD1-CG2 4.3Å; Y89-I103 HydrophobicContact CD1-CB 4.45Å; Y89-I103 HydrophobicContact CD1-CG2 3.79Å; Y89-I103 HydrophobicContact CE1-CB 3.82Å; Y89-I103 HydrophobicContact CE1-CG2 3.68Å; Y89-I103 HydrophobicContact CE2-CD1 4.06Å; Y89-I103 HydrophobicContact CG-CG2 4.3Å; I101-I103 HydrophobicContact CG2-CG2 4.26Å; I103-S173 WeakPolarHBondContact CG1-O 3.39Å; I103-F174 WeakPolarHBondContact O-CA 3.22Å; I103-R175 HydrophobicContact CD1-CB 4.29Å; I103-R175 HydrophobicContact CG1-CB 3.94Å; I103-R175 PolarHBondContact N-O 2.71Å; I103-R175 PolarHBondContact O-N 2.77Å; I103-R175 VanDerWaalsContact O-N 3.11Å; I103-Y177 HydrophobicContact CD1-CE2 3.71Å; I103-Y177 HydrophobicContact CG1-CD2 4.42Å; I103-Y177 HydrophobicContact CG1-CE2 3.86Å; I103-L182 HydrophobicContact CG2-CD2 4.13Å
104M93.6Very high93.6Very high0 Ų032 Ų320%016%0.158CC..  trans-157.3162174.766-175.6-57.500111.1V16 L18 I30 L34 H110 P112 F174V16-M104 HydrophobicContact CG1-CG 4.11Å; V16-M104 HydrophobicContact CG1-SD 4Å; L18-M104 HydrophobicContact CD1-CG 3.91Å; I30-M104 HydrophobicContact CD1-CE 3.74Å; I30-M104 HydrophobicContact CG1-CE 4.44Å; L34-M104 HydrophobicContact CD1-SD 4.46Å; L34-M104 HydrophobicContact CD2-SD 3.81Å; M104-H110 HydrophobicContact CB-CB 4.28Å; M104-H110 HydrophobicContact CE-CB 3.67Å; M104-H110 WeakPolarHBondContact CE-O 3.41Å; M104-P112 HydrophobicContact CE-CG 4.08Å; M104-F174 HydrophobicContact CB-CD2 3.85Å; M104-F174 HydrophobicContact CB-CE2 4.27Å; M104-F174 HydrophobicContact CB-CG 4.46Å; M104-F174 HydrophobicContact SD-CE2 4.48Å
105D90.6Very high93.7Very high42 Ų4224.5 Ų24.523%0.22513%0.126CC..  trans-83.5147.8175.1-59.1-24.9000110.8D107 H110 S173D105-D107 VanDerWaalsContact C-N 3.34Å; D105-H110 PolarHBondContact N-ND1 2.84Å; D105-H110 IonicContact OD2-CE1 2.74Å; D105-H110 PolarHBondContact OD2-CE1 2.87Å; D105-H110 IonicContact OD2-ND1 3.13Å; D105-S173 PolarHBondContact OD2-OG 3.02Å
106A89.4Confident93.8Very high2 Ų222.5 Ų22.52%0.01712%0.12CC..SBendtrans-81.5-9.8-178.100000114.2L18 T20 E23 N26 L108L18-A106 HydrophobicContact CD1-CB 3.89Å; L18-A106 HydrophobicContact CD2-CB 4.39Å; L18-A106 HydrophobicContact CG-CB 3.96Å; T20-A106 HydrophobicContact CG2-CB 3.91Å; E23-A106 HydrophobicContact CB-CB 4.39Å; E23-A106 HydrophobicContact CG-CB 4.16Å; N26-A106 WeakPolarHBondContact CB-O 3.46Å; A106-L108 PolarHBondContact O-N 3.32Å
107D86Confident93.8Very high26 Ų2627 Ų2714%0.13914%0.14CC..SBendtrans-83.115.5-169.669.23.2000115.4D105 S109 R221D105-D107 VanDerWaalsContact C-N 3.34Å; D107-S109 PolarHBondContact O-N 2.98Å; D107-S109 VanDerWaalsContact O-N 3.14Å; D107-S109 WeakPolarHBondContact OD1-CB 3.37Å; D107-S109 PolarHBondContact OD1-N 3.42Å; D107-S109 PolarHBondContact OD1-OG 3.47Å; D107-S109 PolarHBondContact OD2-OG 3.42Å; D107-R221 HydrophobicContact CB-CB 4.13Å
108L86.4Confident93.8Very high23 Ų2322.8 Ų22.812%0.1211%0.114CC..SBendtrans652.4-177.5-58.2167.4000115.8L29 I30 L33 A106 H110 V222L29-L108 HydrophobicContact CB-CD1 4.01Å; L29-L108 HydrophobicContact CB-CD2 4.13Å; L29-L108 HydrophobicContact CD1-CD1 3.82Å; I30-L108 HydrophobicContact CB-CD2 3.86Å; I30-L108 HydrophobicContact CD1-CD2 3.9Å; I30-L108 HydrophobicContact CG1-CD2 4.47Å; L33-L108 HydrophobicContact CD1-CD2 3.71Å; A106-L108 PolarHBondContact O-N 3.32Å; L108-H110 PolarHBondContact O-N 3.07Å; L108-V222 HydrophobicContact CB-CG2 3.91Å; L108-V222 HydrophobicContact CD1-CB 4.07Å; L108-V222 HydrophobicContact CD1-CG2 3.78Å
109S83.8Confident93.9Very high3 Ų322.7 Ų22.72%0.02111%0.113CC..SBendtrans-61-27.6174.1-52.30000112D107 F218 V219D107-S109 PolarHBondContact O-N 2.98Å; D107-S109 VanDerWaalsContact O-N 3.14Å; D107-S109 WeakPolarHBondContact OD1-CB 3.37Å; D107-S109 PolarHBondContact OD1-N 3.42Å; D107-S109 PolarHBondContact OD1-OG 3.47Å; D107-S109 PolarHBondContact OD2-OG 3.42Å; S109-F218 VanDerWaalsContact CB-CZ 3.45Å; S109-V219 WeakPolarHBondContact CB-O 3.3Å
110H88.9Confident93.9Very high1 Ų125.4 Ų25.41%0.00512%0.122CC..BIsolated β-bridgetrans-105.5110175-59.4117.6000110.6M104 D105 L108 P112 S173 F174 F218M104-H110 HydrophobicContact CB-CB 4.28Å; M104-H110 HydrophobicContact CE-CB 3.67Å; M104-H110 WeakPolarHBondContact CE-O 3.41Å; D105-H110 PolarHBondContact N-ND1 2.84Å; D105-H110 IonicContact OD2-CE1 2.74Å; D105-H110 PolarHBondContact OD2-CE1 2.87Å; D105-H110 IonicContact OD2-ND1 3.13Å; L108-H110 PolarHBondContact O-N 3.07Å; H110-P112 WeakPolarHBondContact O-CD 3.46Å; H110-S173 PolarHBondContact CE1-OG 2.74Å; H110-F174 HydrophobicContact CB-CB 4.15Å; H110-F174 HydrophobicContact CB-CD1 3.89Å; H110-F174 HydrophobicContact CB-CE1 4.41Å; H110-F174 HydrophobicContact CB-CG 4.06Å; H110-F174 WeakPolarHBondContact CD2-CB 3.41Å; H110-F218 AromaticContact CE1-CE2 3.96Å; H110-F218 AromaticContact NE2-CD2 3.77Å; H110-F218 AromaticContact NE2-CE2 3.43Å; H110-F218 WeakPolarHBondContact NE2-CE2 3.47Å
111H92.8Very high93.8Very high59 Ų5927.5 Ų27.527%0.27313%0.13SC..  trans-82124.4-179-163-38.2000111.3Y37 K113 F114Y37-H111 AromaticContact CE2-CE1 3.54Å; Y37-H111 AromaticContact CE2-ND1 3.97Å; Y37-H111 AromaticContact CZ-CE1 3.81Å; Y37-H111 PolarHBondContact OH-CE1 2.93Å; H111-K113 HydrophobicContact CB-CD 4.42Å; H111-K113 HydrophobicContact CB-CG 4.1Å; H111-K113 PolarHBondContact ND1-N 3.01Å; H111-K113 PolarHBondContact O-N 3.13Å; H111-F114 HydrophobicContact CB-CD2 4.23Å; H111-F114 HydrophobicContact CB-CE2 4.13Å; H111-F114 WeakPolarHBondContact O-CD2 3.35Å; H111-F114 PolarHBondContact O-N 3.38Å
112P95.9Very high93.8Very high0 Ų027.7 Ų27.70%013%0.131CC..G310 helixtrans-59.3-13.6179.2-30.738.6000116.3I30 L33 L34 Y37 M104 H110 F114 I115I30-P112 HydrophobicContact CD1-CG 3.59Å; L33-P112 HydrophobicContact CB-CB 4.34Å; L33-P112 HydrophobicContact CB-CG 3.77Å; L34-P112 HydrophobicContact CD2-CB 3.88Å; L34-P112 HydrophobicContact CD2-CG 3.84Å; L34-P112 HydrophobicContact CG-CB 4.31Å; L34-P112 HydrophobicContact CG-CG 3.9Å; Y37-P112 HydrophobicContact CD2-CB 3.9Å; M104-P112 HydrophobicContact CE-CG 4.08Å; H110-P112 WeakPolarHBondContact O-CD 3.46Å; P112-F114 PolarHBondContact O-N 3.45Å; P112-I115 HydrophobicContact CB-CD1 4.06Å; P112-I115 WeakPolarHBondContact O-CB 3.11Å; P112-I115 WeakPolarHBondContact O-CG1 3.33Å; P112-I115 PolarHBondContact O-N 3.3Å
113K95.1Very high93.7Very high83 Ų8332.4 Ų32.436%0.36115%0.152SC..G310 helixtrans-58.3-22.9178.273.2-177.6-178.4178.70113.5Y37 H111 P116Y37-K113 HydrophobicContact CD1-CB 4.16Å; Y37-K113 HydrophobicContact CD2-CB 4.47Å; Y37-K113 HydrophobicContact CE1-CB 3.53Å; Y37-K113 HydrophobicContact CE2-CB 3.95Å; Y37-K113 VanDerWaalsContact CZ-CB 3.42Å; H111-K113 HydrophobicContact CB-CD 4.42Å; H111-K113 HydrophobicContact CB-CG 4.1Å; H111-K113 PolarHBondContact ND1-N 3.01Å; H111-K113 PolarHBondContact O-N 3.13Å; K113-P116 WeakPolarHBondContact O-CD 3.46Å
114F95.8Very high93.7Very high15 Ų1537.8 Ų37.87%0.06618%0.177CC..G310 helixtrans-83.8-15.7178.8-59.4-71.1000112.6H111 P112 Q117 F118 F174 I216 S217H111-F114 HydrophobicContact CB-CD2 4.23Å; H111-F114 HydrophobicContact CB-CE2 4.13Å; H111-F114 WeakPolarHBondContact O-CD2 3.35Å; H111-F114 PolarHBondContact O-N 3.38Å; P112-F114 PolarHBondContact O-N 3.45Å; F114-Q117 WeakPolarHBondContact O-CA 3.3Å; F114-Q117 WeakPolarHBondContact O-CB 3.28Å; F114-Q117 PolarHBondContact O-N 2.99Å; F114-F118 HydrophobicContact CB-CD2 4.15Å; F114-F118 HydrophobicContact CB-CE2 3.9Å; F114-F118 VanDerWaalsContact O-CD2 3.25Å; F114-F118 WeakPolarHBondContact O-CD2 3.36Å; F114-F118 PolarHBondContact O-N 3.22Å; F114-F174 HydrophobicContact CB-CE1 3.99Å; F114-F174 HydrophobicContact CD2-CE1 4.47Å; F114-I216 HydrophobicContact CB-CG2 4.01Å; F114-I216 HydrophobicContact CD1-CG2 4.04Å; F114-I216 HydrophobicContact CD2-CB 4.05Å; F114-I216 HydrophobicContact CD2-CG2 3.84Å; F114-I216 HydrophobicContact CE1-CG2 4.47Å; F114-I216 HydrophobicContact CE2-CB 4.01Å; F114-I216 HydrophobicContact CE2-CG2 4.29Å; F114-I216 HydrophobicContact CG-CB 4.34Å; F114-I216 HydrophobicContact CG-CG2 3.71Å; F114-I216 HydrophobicContact CZ-CB 4.26Å; F114-S217 VanDerWaalsContact CZ-N 3.28Å
115I97.1Very high93.8Very high3 Ų339.7 Ų39.72%0.01520%0.196CC..Hα-helixtrans-53.5-46.7-178.7-67.1176.8000112.4L34 F38 I102 P112 Q117 F118 I119 F174L34-I115 HydrophobicContact CD2-CD1 3.47Å; L34-I115 VanDerWaalsContact CD2-CD1 3.47Å; F38-I115 HydrophobicContact CE1-CG2 3.94Å; F38-I115 HydrophobicContact CE2-CD1 3.92Å; F38-I115 HydrophobicContact CE2-CG2 4.45Å; F38-I115 HydrophobicContact CZ-CD1 4.11Å; F38-I115 HydrophobicContact CZ-CG2 3.74Å; I102-I115 HydrophobicContact CD1-CD1 4.35Å; I102-I115 HydrophobicContact CD1-CG1 4.44Å; I102-I115 HydrophobicContact CD1-CG2 3.68Å; P112-I115 HydrophobicContact CB-CD1 4.06Å; P112-I115 WeakPolarHBondContact O-CB 3.11Å; P112-I115 WeakPolarHBondContact O-CG1 3.33Å; P112-I115 PolarHBondContact O-N 3.3Å; I115-Q117 PolarHBondContact O-N 3.01Å; I115-F118 WeakPolarHBondContact O-CB 3.43Å; I115-F118 PolarHBondContact O-N 3.15Å; I115-F118 VanDerWaalsContact O-N 3.07Å; I115-I119 HydrophobicContact CG2-CD1 3.75Å; I115-I119 HydrophobicContact CG2-CG1 4.3Å; I115-I119 WeakPolarHBondContact O-CG1 2.87Å; I115-I119 PolarHBondContact O-N 2.86Å; I115-F174 HydrophobicContact CG1-CE2 4.06Å; I115-F174 HydrophobicContact CG1-CZ 3.68Å
116P96.5Very high94Very high34 Ų3442.4 Ų42.422%0.22121%0.211CC..Hα-helixtrans-58.6-34176.4-26.536.5000113.4Y43 K113 K120Y43-P116 HydrophobicContact CE2-CB 4.39Å; K113-P116 WeakPolarHBondContact O-CD 3.46Å; P116-K120 WeakPolarHBondContact O-CB 3.39Å; P116-K120 PolarHBondContact O-N 2.88Å
117Q96.4Very high94.4Very high98 Ų9845.2 Ų45.246%0.45822%0.221SC..Hα-helixtrans-72.1-37.1176.4-58.5-179.914.400111.7F114 I115 K120 K121 V214F114-Q117 WeakPolarHBondContact O-CA 3.3Å; F114-Q117 WeakPolarHBondContact O-CB 3.28Å; F114-Q117 PolarHBondContact O-N 2.99Å; I115-Q117 PolarHBondContact O-N 3.01Å; Q117-K120 PolarHBondContact O-N 3.03Å; Q117-K121 VanDerWaalsContact O-CB 3.27Å; Q117-K121 WeakPolarHBondContact O-CB 3.43Å; Q117-K121 PolarHBondContact O-N 3.28Å; Q117-V214 HydrophobicContact CB-CG1 3.96Å
118F97.8Very high95Very high2 Ų245.3 Ų45.31%0.00922%0.222CC..Hα-helixtrans-62-46.4173.5-82.3-126.3000110.9F114 I115 K121 Q122 V130 G132 F174 L176 V214 I216F114-F118 HydrophobicContact CB-CD2 4.15Å; F114-F118 HydrophobicContact CB-CE2 3.9Å; F114-F118 VanDerWaalsContact O-CD2 3.25Å; F114-F118 WeakPolarHBondContact O-CD2 3.36Å; F114-F118 PolarHBondContact O-N 3.22Å; I115-F118 WeakPolarHBondContact O-CB 3.43Å; I115-F118 PolarHBondContact O-N 3.15Å; I115-F118 VanDerWaalsContact O-N 3.07Å; F118-K121 PolarHBondContact O-N 2.56Å; F118-Q122 WeakPolarHBondContact O-CB 3.38Å; F118-Q122 PolarHBondContact O-N 2.79Å; F118-V130 HydrophobicContact CB-CG1 4.31Å; F118-V130 HydrophobicContact CD1-CB 4.23Å; F118-V130 HydrophobicContact CD1-CG1 3.85Å; F118-V130 HydrophobicContact CE1-CG1 4.43Å; F118-V130 HydrophobicContact CG-CG1 4.07Å; F118-G132 VanDerWaalsContact CZ-N 3.27Å; F118-F174 HydrophobicContact CE1-CD2 4.27Å; F118-F174 HydrophobicContact CE1-CE2 4.46Å; F118-F174 HydrophobicContact CE1-CG 4.31Å; F118-F174 WeakPolarHBondContact CE1-O 3.21Å; F118-F174 HydrophobicContact CE2-CD1 4.3Å; F118-F174 HydrophobicContact CE2-CE1 4.07Å; F118-F174 HydrophobicContact CE2-CZ 4.37Å; F118-F174 AromaticContact CZ-CD1 3.84Å; F118-F174 HydrophobicContact CZ-CD1 3.84Å; F118-F174 HydrophobicContact CZ-CD2 4.34Å; F118-F174 HydrophobicContact CZ-CE1 4.02Å; F118-F174 HydrophobicContact CZ-CE2 4.48Å; F118-F174 HydrophobicContact CZ-CG 4.01Å; F118-F174 HydrophobicContact CZ-CZ 4.33Å; F118-L176 HydrophobicContact CB-CB 4.25Å; F118-L176 HydrophobicContact CD1-CB 3.92Å; F118-V214 HydrophobicContact CD2-CB 3.8Å; F118-V214 HydrophobicContact CD2-CG1 3.84Å; F118-V214 HydrophobicContact CD2-CG2 3.95Å; F118-V214 HydrophobicContact CE2-CB 3.7Å; F118-V214 HydrophobicContact CE2-CG1 3.77Å; F118-V214 HydrophobicContact CE2-CG2 4.35Å; F118-V214 HydrophobicContact CG-CG2 4.39Å; F118-V214 HydrophobicContact CZ-CB 4.41Å; F118-I216 HydrophobicContact CE2-CG2 3.7Å; F118-I216 HydrophobicContact CZ-CG2 4.06Å
119I97.8Very high95.5Very high0 Ų044.2 Ų44.20%022%0.216CC..Hα-helixtrans-61.7-46.9177.7-66.8171.4000110.4Y14 F38 Y43 I115 Q122 K123 L176Y14-I119 HydrophobicContact CD1-CD1 3.93Å; Y14-I119 HydrophobicContact CD1-CG1 3.93Å; Y14-I119 HydrophobicContact CD2-CD1 3.88Å; Y14-I119 HydrophobicContact CE1-CB 4.4Å; Y14-I119 HydrophobicContact CE1-CD1 3.87Å; Y14-I119 HydrophobicContact CE1-CG1 3.58Å; Y14-I119 HydrophobicContact CE1-CG2 4.14Å; Y14-I119 HydrophobicContact CE2-CD1 3.79Å; Y14-I119 HydrophobicContact CE2-CG1 4.32Å; Y14-I119 HydrophobicContact CE2-CG2 4.28Å; Y14-I119 HydrophobicContact CG-CD1 3.97Å; Y14-I119 HydrophobicContact CG-CG1 4.49Å; Y14-I119 WeakPolarHBondContact OH-CG2 3.29Å; F38-I119 HydrophobicContact CE1-CD1 4.41Å; Y43-I119 HydrophobicContact CD1-CG2 4.38Å; Y43-I119 HydrophobicContact CD2-CD1 3.46Å; Y43-I119 VanDerWaalsContact CD2-CD1 3.46Å; Y43-I119 HydrophobicContact CE1-CG2 3.83Å; Y43-I119 HydrophobicContact CE2-CB 4.21Å; Y43-I119 HydrophobicContact CE2-CD1 3.79Å; Y43-I119 HydrophobicContact CE2-CG2 3.97Å; Y43-I119 HydrophobicContact CG-CD1 3.89Å; I115-I119 HydrophobicContact CG2-CD1 3.75Å; I115-I119 HydrophobicContact CG2-CG1 4.3Å; I115-I119 WeakPolarHBondContact O-CG1 2.87Å; I115-I119 PolarHBondContact O-N 2.86Å; I119-Q122 PolarHBondContact O-N 2.65Å; I119-K123 HydrophobicContact CG2-CD 4.31Å; I119-K123 WeakPolarHBondContact O-CG 3.23Å; I119-K123 PolarHBondContact O-N 3.49Å; I119-L176 HydrophobicContact CG1-CD1 3.86Å
120K96.9Very high96.1Very high129 Ų12944 Ų4456%0.56122%0.215SC*.Hα-helixtrans-58.9-49.6176.4-171.2-171.1-178.9-159.40111.2P116 Q117 Q122 K123 E124P116-K120 WeakPolarHBondContact O-CB 3.39Å; P116-K120 PolarHBondContact O-N 2.88Å; Q117-K120 PolarHBondContact O-N 3.03Å; K120-Q122 VanDerWaalsContact C-N 3.31Å; K120-Q122 PolarHBondContact O-N 3.08Å; K120-K123 PolarHBondContact O-N 3.37Å; K120-K123 VanDerWaalsContact O-N 3.16Å; K120-E124 WeakPolarHBondContact CE-OE1 3.45Å; K120-E124 HydrophobicContact CG-CG 4.41Å; K120-E124 IonicContact NZ-OE1 2.78Å; K120-E124 PolarHBondContact NZ-OE1 3.46Å; K120-E124 WeakPolarHBondContact O-CG 3.39Å; K120-E124 PolarHBondContact O-N 3.27Å
121K97.2Very high96.4Very high56 Ų5644 Ų4424%0.24322%0.215CC..Hα-helixtrans-60.4-42.2-179.8-17559.3174.4175.30111.4Q117 F118 K123 E124 G125 Y127 V130 V214Q117-K121 VanDerWaalsContact O-CB 3.27Å; Q117-K121 WeakPolarHBondContact O-CB 3.43Å; Q117-K121 PolarHBondContact O-N 3.28Å; F118-K121 PolarHBondContact O-N 2.56Å; K121-K123 VanDerWaalsContact C-N 3.34Å; K121-K123 PolarHBondContact O-N 3.11Å; K121-E124 PolarHBondContact O-N 3.47Å; K121-G125 PolarHBondContact O-N 3.39Å; K121-Y127 HydrophobicContact CD-CE2 4.06Å; K121-Y127 HydrophobicContact CG-CD2 4.44Å; K121-Y127 HydrophobicContact CG-CE2 4.27Å; K121-Y127 WeakPolarHBondContact O-CD2 3.35Å; K121-Y127 WeakPolarHBondContact O-CE2 3.48Å; K121-V130 HydrophobicContact CB-CG1 4.19Å; K121-V130 HydrophobicContact CB-CG2 4.47Å; K121-V130 HydrophobicContact CG-CG1 4.11Å; K121-V130 HydrophobicContact CG-CG2 4.36Å; K121-V214 HydrophobicContact CB-CG2 3.7Å; K121-V214 HydrophobicContact CG-CG2 3.97Å
122Q97.6Very high96.3Very high4 Ų441.2 Ų41.22%0.01920%0.202CC..Hα-helixtrans-57.9-49.2176-172.2-78.5-40.700110.4F100 F118 I119 K120 E124 G125 D126 Y127 V130 L176F100-Q122 HydrophobicContact CD1-CG 4.46Å; F100-Q122 HydrophobicContact CE1-CG 3.81Å; F100-Q122 HydrophobicContact CZ-CG 4.5Å; F118-Q122 WeakPolarHBondContact O-CB 3.38Å; F118-Q122 PolarHBondContact O-N 2.79Å; I119-Q122 PolarHBondContact O-N 2.65Å; K120-Q122 VanDerWaalsContact C-N 3.31Å; K120-Q122 PolarHBondContact O-N 3.08Å; Q122-E124 PolarHBondContact O-N 2.84Å; Q122-G125 PolarHBondContact O-N 3.01Å; Q122-D126 PolarHBondContact NE2-OD1 3.41Å; Q122-D126 CarbonylContact O-C 3.56Å; Q122-D126 WeakPolarHBondContact O-CA 3.17Å; Q122-D126 PolarHBondContact O-N 3.31Å; Q122-Y127 WeakPolarHBondContact CG-O 3.45Å; Q122-Y127 PolarHBondContact NE2-O 2.98Å; Q122-Y127 PolarHBondContact O-N 3.46Å; Q122-Y127 VanDerWaalsContact O-N 3.11Å; Q122-V130 HydrophobicContact CB-CG2 3.7Å; Q122-V130 HydrophobicContact CG-CG2 4.31Å; Q122-L176 HydrophobicContact CB-CD2 3.57Å; Q122-L176 HydrophobicContact CG-CD2 3.58Å
123K96.5Very high96Very high101 Ų10141.2 Ų41.244%0.43920%0.202SC..Hα-helixtrans-65.2-36.6179.7-69.9-178.3177.3-173.10113.3D12 Y14 I119 K120 K121 G125D12-K123 WeakPolarHBondContact OD2-CE 3.48Å; D12-K123 IonicContact OD2-NZ 3.01Å; D12-K123 PolarHBondContact OD2-NZ 3.13Å; Y14-K123 WeakPolarHBondContact OH-CE 3.46Å; I119-K123 HydrophobicContact CG2-CD 4.31Å; I119-K123 WeakPolarHBondContact O-CG 3.23Å; I119-K123 PolarHBondContact O-N 3.49Å; K120-K123 PolarHBondContact O-N 3.37Å; K120-K123 VanDerWaalsContact O-N 3.16Å; K121-K123 VanDerWaalsContact C-N 3.34Å; K121-K123 PolarHBondContact O-N 3.11Å; K123-G125 VanDerWaalsContact C-N 3.31Å; K123-G125 PolarHBondContact O-N 3.27Å
124E96.4Very high95.5Very high113 Ų11338 Ų3853%0.52819%0.188SC..Hα-helixtrans-59.6-37.6-179.6-78.8171.1-178.100113.3K120 K121 Q122K120-E124 WeakPolarHBondContact CE-OE1 3.45Å; K120-E124 HydrophobicContact CG-CG 4.41Å; K120-E124 IonicContact NZ-OE1 2.78Å; K120-E124 PolarHBondContact NZ-OE1 3.46Å; K120-E124 WeakPolarHBondContact O-CG 3.39Å; K120-E124 PolarHBondContact O-N 3.27Å; K121-E124 PolarHBondContact O-N 3.47Å; Q122-E124 PolarHBondContact O-N 2.84Å
125G93.9Very high94.7Very high39 Ų3940 Ų4040%0.40220%0.195SC..Hα-helixtrans-119.88.9-177.500000114.8K121 Q122 K123 Y127K121-G125 PolarHBondContact O-N 3.39Å; Q122-G125 PolarHBondContact O-N 3.01Å; K123-G125 VanDerWaalsContact C-N 3.31Å; K123-G125 PolarHBondContact O-N 3.27Å; G125-Y127 PolarHBondContact O-N 3.25Å; G125-Y127 VanDerWaalsContact O-N 3.12Å
126D96.8Very high93.7Very high100 Ų10043.4 Ų43.454%0.53521%0.213SC..THydrogen-bonded Turntrans42.340.2-166-171.532.7000113.3Q122 K178Q122-D126 PolarHBondContact NE2-OD1 3.41Å; Q122-D126 CarbonylContact O-C 3.56Å; Q122-D126 WeakPolarHBondContact O-CA 3.17Å; Q122-D126 PolarHBondContact O-N 3.31Å; D126-K178 PolarHBondContact O-NZ 2.82Å; D126-K178 WeakPolarHBondContact OD1-CE 3.33Å; D126-K178 IonicContact OD1-NZ 3.5Å; D126-K178 PolarHBondContact OD1-NZ 2.78Å; D126-K178 IonicContact OD2-NZ 2.66Å; D126-K178 PolarHBondContact OD2-NZ 3.35Å; D126-K178 VanDerWaalsContact OD2-NZ 3.13Å
127Y97.4Very high92.9Very high60 Ų6045.6 Ų45.624%0.23524%0.243CC..  trans-62143.6-173.4-63.7-80.4000111.2K121 Q122 G125 L129 K178 T210 G212K121-Y127 HydrophobicContact CD-CE2 4.06Å; K121-Y127 HydrophobicContact CG-CD2 4.44Å; K121-Y127 HydrophobicContact CG-CE2 4.27Å; K121-Y127 WeakPolarHBondContact O-CD2 3.35Å; K121-Y127 WeakPolarHBondContact O-CE2 3.48Å; Q122-Y127 WeakPolarHBondContact CG-O 3.45Å; Q122-Y127 PolarHBondContact NE2-O 2.98Å; Q122-Y127 PolarHBondContact O-N 3.46Å; Q122-Y127 VanDerWaalsContact O-N 3.11Å; G125-Y127 PolarHBondContact O-N 3.25Å; G125-Y127 VanDerWaalsContact O-N 3.12Å; Y127-L129 VanDerWaalsContact C-N 3.35Å; Y127-K178 WeakPolarHBondContact O-CE 3.3Å; Y127-T210 WeakPolarHBondContact CA-OG1 3.4Å; Y127-G212 VanDerWaalsContact CD1-N 3.33Å
128D97.8Very high92.1Very high28 Ų2845.8 Ų45.815%0.1525%0.254CS..SBendtrans-71.8-34.3177-65.7-51.4000111.9K178 V181 Y209 T210D128-K178 PolarHBondContact O-N 2.83Å; D128-K178 IonicContact OD1-NZ 3.39Å; D128-K178 PolarHBondContact OD1-NZ 2.66Å; D128-V181 HydrophobicContact CB-CG1 4.29Å; D128-V181 HydrophobicContact CB-CG2 3.85Å; D128-Y209 HydrophobicContact CB-CD1 4.01Å; D128-Y209 HydrophobicContact CB-CG 4.19Å; D128-T210 PolarHBondContact N-O 3.2Å; D128-T210 PolarHBondContact N-OG1 3.49Å; D128-T210 PolarHBondContact OD2-N 3.23Å; D128-T210 PolarHBondContact OD2-OG1 3.37Å
129L96.3Very high91.1Very high0 Ų046.6 Ų46.60%026%0.264CS..EExtended strand (participates in β ladder)trans-142.6150.5167.269.9118.4000112.4Y127 L176 Y177 I201 A204 T210 V211 G212Y127-L129 VanDerWaalsContact C-N 3.35Å; L129-L176 CarbonylContact C-O 3.54Å; L129-L176 VanDerWaalsContact CA-O 3.24Å; L129-L176 WeakPolarHBondContact CA-O 3.21Å; L129-Y177 HydrophobicContact CB-CD1 3.43Å; L129-Y177 VanDerWaalsContact CB-CD1 3.43Å; L129-Y177 HydrophobicContact CB-CE1 3.68Å; L129-Y177 HydrophobicContact CB-CG 4.18Å; L129-Y177 HydrophobicContact CD1-CE1 4.17Å; L129-Y177 HydrophobicContact CD2-CD1 4.44Å; L129-Y177 HydrophobicContact CD2-CE1 4.18Å; L129-Y177 HydrophobicContact CG-CD1 4.41Å; L129-Y177 HydrophobicContact CG-CE1 4.24Å; L129-I201 HydrophobicContact CD1-CD1 3.48Å; L129-I201 VanDerWaalsContact CD1-CD1 3.48Å; L129-A204 HydrophobicContact CD2-CB 3.46Å; L129-A204 VanDerWaalsContact CD2-CB 3.46Å; L129-T210 PolarHBondContact N-O 3.08Å; L129-T210 VanDerWaalsContact N-O 3.13Å; L129-V211 HydrophobicContact CD1-CB 4.36Å; L129-V211 HydrophobicContact CD1-CG1 3.7Å; L129-V211 HydrophobicContact CD1-CG2 4.01Å; L129-V211 HydrophobicContact CD2-CG2 3.86Å; L129-V211 HydrophobicContact CG-CB 4.35Å; L129-V211 HydrophobicContact CG-CG1 4.17Å; L129-V211 HydrophobicContact CG-CG2 3.89Å; L129-V211 WeakPolarHBondContact O-CA 3.18Å; L129-G212 PolarHBondContact O-N 2.98Å
130V96.9Very high90Very high0 Ų047.2 Ų47.20%027%0.27CS..EExtended strand (participates in β ladder)trans-121.3123.5172179.80000108.6F118 K121 Q122 R175 L176 G212 V214F118-V130 HydrophobicContact CB-CG1 4.31Å; F118-V130 HydrophobicContact CD1-CB 4.23Å; F118-V130 HydrophobicContact CD1-CG1 3.85Å; F118-V130 HydrophobicContact CE1-CG1 4.43Å; F118-V130 HydrophobicContact CG-CG1 4.07Å; K121-V130 HydrophobicContact CB-CG1 4.19Å; K121-V130 HydrophobicContact CB-CG2 4.47Å; K121-V130 HydrophobicContact CG-CG1 4.11Å; K121-V130 HydrophobicContact CG-CG2 4.36Å; Q122-V130 HydrophobicContact CB-CG2 3.7Å; Q122-V130 HydrophobicContact CG-CG2 4.31Å; V130-R175 CarbonylContact O-C 3.54Å; V130-R175 VanDerWaalsContact O-CA 3.31Å; V130-R175 WeakPolarHBondContact O-CA 3.25Å; V130-L176 HydrophobicContact CB-CB 4.48Å; V130-L176 HydrophobicContact CB-CD2 4.4Å; V130-L176 HydrophobicContact CG2-CD2 4.33Å; V130-L176 PolarHBondContact N-O 3.33Å; V130-L176 PolarHBondContact O-N 3.03Å; V130-G212 CarbonylContact C-O 3.49Å; V130-G212 VanDerWaalsContact CA-O 3.27Å; V130-G212 WeakPolarHBondContact CA-O 3.29Å; V130-V214 HydrophobicContact CG1-CG2 3.73Å
131S94.9Very high88.8Confident0 Ų042.2 Ų42.20%025%0.25CS..EExtended strand (participates in β ladder)trans-106.3139.6178.9-165.90000111.7R175 G212 E213 V214S131-R175 PolarHBondContact OG-NE 3.05Å; S131-G212 PolarHBondContact N-O 3.41Å; S131-E213 WeakPolarHBondContact O-CA 3.32Å; S131-V214 PolarHBondContact O-N 3.17Å
132G92.2Very high87.6Confident1 Ų146.2 Ų46.21%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-67.3136.2162.500000110F118 F174 V214F118-G132 VanDerWaalsContact CZ-N 3.27Å; G132-F174 PolarHBondContact N-O 2.87Å; G132-V214 WeakPolarHBondContact CA-O 3.28Å
133T88.7Confident85.9Confident0 Ų049.3 Ų49.30%030%0.297CS..EExtended strand (participates in β ladder)trans-124.2134174.2175.30000111.7Y135 L136 S168 E213 V214 P215 I216T133-Y135 PolarHBondContact OG1-N 3.17Å; T133-Y135 VanDerWaalsContact OG1-N 3.08Å; T133-L136 HydrophobicContact CG2-CB 3.78Å; T133-L136 HydrophobicContact CG2-CD1 4.2Å; T133-L136 HydrophobicContact CG2-CG 4.22Å; T133-L136 PolarHBondContact OG1-N 3.36Å; T133-S168 VanDerWaalsContact CB-OG 3.25Å; T133-S168 WeakPolarHBondContact CB-OG 3.02Å; T133-S168 PolarHBondContact OG1-OG 2.89Å; T133-E213 HydrophobicContact CG2-CB 3.97Å; T133-V214 PolarHBondContact N-O 3.37Å; T133-P215 WeakPolarHBondContact O-CA 3.4Å; T133-I216 PolarHBondContact O-N 2.93Å
134R84.8Confident84.4Confident16 Ų1645.3 Ų45.36%0.0628%0.28CS..SBendtrans-87.4-6.9172.8-68.2163.8-66.8-178.61.3112.9G139 G140 V141 D169 T171 I216 F218R134-G139 CarbonylContact O-C 3.56Å; R134-G140 PolarHBondContact O-N 3.24Å; R134-V141 HydrophobicContact CB-CG2 3.79Å; R134-V141 HydrophobicContact CG-CG2 3.88Å; R134-D169 IonicContact CZ-OD1 2.83Å; R134-D169 IonicContact CZ-OD2 3.62Å; R134-D169 PolarHBondContact N-OD2 2.76Å; R134-D169 IonicContact NE-OD1 2.71Å; R134-D169 IonicContact NE-OD2 3.49Å; R134-D169 PolarHBondContact NE-OD2 3.22Å; R134-D169 VanDerWaalsContact NH2-CG 3.3Å; R134-D169 IonicContact NH2-OD1 3.03Å; R134-D169 PolarHBondContact NH2-OD1 3.06Å; R134-D169 IonicContact NH2-OD2 2.67Å; R134-D169 PolarHBondContact NH2-OD2 3.41Å; R134-T171 PolarHBondContact NH2-OG1 3.44Å; R134-I216 HydrophobicContact CG-CG1 4.47Å; R134-F218 HydrophobicContact CG-CB 3.77Å
135Y78.4Confident83.1Confident55 Ų5544.6 Ų44.622%0.21628%0.279CS..SBendtrans-119.2-5.4-165.3-51.5-60.7000115T133 S152 R153 N156 S168 D169T133-Y135 PolarHBondContact OG1-N 3.17Å; T133-Y135 VanDerWaalsContact OG1-N 3.08Å; Y135-S152 PolarHBondContact OH-OG 2.91Å; Y135-R153 HydrophobicContact CE1-CG 4.07Å; Y135-N156 WeakPolarHBondContact CD2-ND2 3.39Å; Y135-N156 HydrophobicContact CE2-CB 4.29Å; Y135-N156 WeakPolarHBondContact CE2-ND2 3.25Å; Y135-S168 WeakPolarHBondContact CD2-O 3.39Å; Y135-D169 HydrophobicContact CD2-CB 3.8Å; Y135-D169 HydrophobicContact CE2-CB 4.02Å
136L77.3Confident81.9Confident75 Ų7548.9 Ų48.939%0.39329%0.293SS..SBendtrans-109.5148.9174.5-68.2178000112.4T133 S138 G139 S168 E213 P215T133-L136 HydrophobicContact CG2-CB 3.78Å; T133-L136 HydrophobicContact CG2-CD1 4.2Å; T133-L136 HydrophobicContact CG2-CG 4.22Å; T133-L136 PolarHBondContact OG1-N 3.36Å; L136-S138 PolarHBondContact O-N 2.69Å; L136-G139 WeakPolarHBondContact O-CA 3.33Å; L136-G139 PolarHBondContact O-N 3.22Å; L136-S168 VanDerWaalsContact CD1-OG 3.29Å; L136-S168 WeakPolarHBondContact CD1-OG 3.47Å; L136-S168 VanDerWaalsContact CG-OG 3.3Å; L136-S168 WeakPolarHBondContact CG-OG 3.43Å; L136-E213 HydrophobicContact CD1-CB 4.33Å; L136-E213 WeakPolarHBondContact CD1-OE2 3.32Å; L136-P215 WeakPolarHBondContact O-CB 3.39Å
137G79.7Confident80.6Confident81 Ų8153.1 Ų53.184%0.83530%0.301SS*.THydrogen-bonded Turntrans55.6-126.6172.300000112.5G139G137-G139 PolarHBondContact O-N 3Å
138S79Confident79.3Confident101 Ų10152.6 Ų52.671%0.70630%0.299SS*.THydrogen-bonded Turntrans-85.613.8176.562.30000113.9L136L136-S138 PolarHBondContact O-N 2.69Å
139G75.8Confident78Confident20 Ų2055.1 Ų55.121%0.20631%0.308CS..  trans-67.2151.8176.700000110.9R134 L136 G137 I216R134-G139 CarbonylContact O-C 3.56Å; L136-G139 WeakPolarHBondContact O-CA 3.33Å; L136-G139 PolarHBondContact O-N 3.22Å; G137-G139 PolarHBondContact O-N 3Å; G139-I216 WeakPolarHBondContact CA-O 3.37Å
140G75.9Confident76.8Confident13 Ų1360.5 Ų60.513%0.13434%0.336CS..EExtended strand (participates in β ladder)trans-172.1165.3-177.900000114.5R134 I216 S217 F218R134-G140 PolarHBondContact O-N 3.24Å; G140-I216 PolarHBondContact N-O 3.41Å; G140-S217 WeakPolarHBondContact O-CA 2.85Å; G140-F218 PolarHBondContact O-N 3.14Å
141V71.9Confident75.7Confident24 Ų2464 Ų6415%0.14535%0.354CS..EExtended strand (participates in β ladder)trans-122.8125.3177.2-168.10000109.9R134 W144 F218R134-V141 HydrophobicContact CB-CG2 3.79Å; R134-V141 HydrophobicContact CG-CG2 3.88Å; V141-W144 HydrophobicContact CB-CD2 4.46Å; V141-W144 HydrophobicContact CG1-CB 4.12Å; V141-W144 HydrophobicContact CG1-CD2 3.3Å; V141-W144 VanDerWaalsContact CG1-CE2 3.47Å; V141-W144 HydrophobicContact CG1-CE3 3.76Å; V141-W144 HydrophobicContact CG1-CG 3.45Å; V141-W144 VanDerWaalsContact CG1-CG 3.45Å; V141-W144 HydrophobicContact CG1-CH2 4.48Å; V141-W144 HydrophobicContact CG1-CZ2 4.1Å; V141-W144 HydrophobicContact CG1-CZ3 4.31Å; V141-F218 WeakPolarHBondContact CA-O 3.31Å; V141-F218 HydrophobicContact CG1-CB 4.47Å; V141-F218 HydrophobicContact CG1-CD1 4.17Å; V141-F218 HydrophobicContact CG2-CB 4.44Å
142Y71.6Confident74.5Confident140 Ų14064.7 Ų64.755%0.54936%0.359SS..EExtended strand (participates in β ladder)trans-115.6139.9-177.4-59.9-89000109.9F218 D220Y142-F218 PolarHBondContact N-O 2.59Å; Y142-D220 PolarHBondContact O-N 3.12Å
143G61.3Low73.5Confident68 Ų6872.6 Ų72.670%0.70139%0.389SS*.SBendtrans88-10.8-179.300000116
144W65.1Low72.7Confident18 Ų1874.5 Ų74.57%0.06841%0.408CS..  trans-79.7138.4177.4-71.615.8000113.1V141 R148 K149 F218V141-W144 HydrophobicContact CB-CD2 4.46Å; V141-W144 HydrophobicContact CG1-CB 4.12Å; V141-W144 HydrophobicContact CG1-CD2 3.3Å; V141-W144 VanDerWaalsContact CG1-CE2 3.47Å; V141-W144 HydrophobicContact CG1-CE3 3.76Å; V141-W144 HydrophobicContact CG1-CG 3.45Å; V141-W144 VanDerWaalsContact CG1-CG 3.45Å; V141-W144 HydrophobicContact CG1-CH2 4.48Å; V141-W144 HydrophobicContact CG1-CZ2 4.1Å; V141-W144 HydrophobicContact CG1-CZ3 4.31Å; W144-R148 HydrophobicContact CB-CB 4.47Å; W144-R148 HydrophobicContact CD2-CB 4.48Å; W144-R148 HydrophobicContact CD2-CG 3.79Å; W144-R148 VanDerWaalsContact CE2-CZ 3.48Å; W144-R148 HydrophobicContact CE3-CB 4.25Å; W144-R148 HydrophobicContact CE3-CG 3.64Å; W144-R148 HydrophobicContact CG-CG 4.26Å; W144-R148 HydrophobicContact CZ3-CG 4.09Å; W144-R148 VanDerWaalsContact NE1-CZ 3.29Å; W144-K149 HydrophobicContact CB-CG 3.91Å; W144-K149 HydrophobicContact CE3-CG 4.32Å; W144-K149 WeakPolarHBondContact O-CE 3.27Å; W144-K149 PolarHBondContact O-NZ 2.99Å; W144-F218 AromaticContact CZ2-CD1 4Å; W144-F218 HydrophobicContact CZ2-CD1 4Å; W144-F218 AromaticContact CZ2-CE1 3.74Å; W144-F218 HydrophobicContact CZ2-CE1 3.74Å; W144-F218 AromaticContact NE1-CE1 3.89Å
145D69.3Low72Confident97 Ų9774.9 Ų74.952%0.51942%0.415SS..  trans-64161167.678.1-4.9000111.5R147 R148 K149D145-R147 PolarHBondContact O-N 2.97Å; D145-R147 PolarHBondContact OD1-N 2.88Å; D145-R148 PolarHBondContact O-N 3.16Å; D145-R148 WeakPolarHBondContact OD1-CA 3.34Å; D145-R148 WeakPolarHBondContact OD1-CB 3.43Å; D145-R148 PolarHBondContact OD1-N 3.46Å; D145-K149 WeakPolarHBondContact O-CG 3.42Å; D145-K149 PolarHBondContact O-N 3.06Å; D145-K149 VanDerWaalsContact O-N 3.14Å
146L68.3Low71.5Confident130 Ų13072.6 Ų72.668%0.68141%0.407SS*.Hα-helixtrans-63.1-32.5-176.5-165.468.8000111.6K149 L150L146-K149 PolarHBondContact O-N 3.48Å; L146-L150 HydrophobicContact CG-CD1 4.41Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.45Å; L146-L150 PolarHBondContact O-N 2.97Å
147R69.8Low71.3Confident188 Ų18875.6 Ų75.671%0.70942%0.417SS*.Hα-helixtrans-65.9-48.6179.4-173.2-176.9178.4-158.80.8111.8D145 K149 L150 I151D145-R147 PolarHBondContact O-N 2.97Å; D145-R147 PolarHBondContact OD1-N 2.88Å; R147-K149 VanDerWaalsContact C-N 3.31Å; R147-K149 PolarHBondContact O-N 3.17Å; R147-L150 PolarHBondContact O-N 3.33Å; R147-I151 HydrophobicContact CG-CD1 3.98Å; R147-I151 WeakPolarHBondContact O-CG1 3.42Å; R147-I151 PolarHBondContact O-N 3.16Å
148R70.3Confident70.8Confident50 Ų5075.3 Ų75.319%0.18940%0.396CS..Hα-helixtrans-63.2-38.8177.1-170.2177.7177.5-173.1-3.3110.8W144 D145 S152 D220W144-R148 HydrophobicContact CB-CB 4.47Å; W144-R148 HydrophobicContact CD2-CB 4.48Å; W144-R148 HydrophobicContact CD2-CG 3.79Å; W144-R148 VanDerWaalsContact CE2-CZ 3.48Å; W144-R148 HydrophobicContact CE3-CB 4.25Å; W144-R148 HydrophobicContact CE3-CG 3.64Å; W144-R148 HydrophobicContact CG-CG 4.26Å; W144-R148 HydrophobicContact CZ3-CG 4.09Å; W144-R148 VanDerWaalsContact NE1-CZ 3.29Å; D145-R148 PolarHBondContact O-N 3.16Å; D145-R148 WeakPolarHBondContact OD1-CA 3.34Å; D145-R148 WeakPolarHBondContact OD1-CB 3.43Å; D145-R148 PolarHBondContact OD1-N 3.46Å; R148-S152 VanDerWaalsContact O-CB 3.22Å; R148-S152 WeakPolarHBondContact O-CB 3.41Å; R148-S152 PolarHBondContact O-N 2.58Å; R148-D220 IonicContact CZ-OD1 3.02Å; R148-D220 VanDerWaalsContact NH1-CG 3.3Å; R148-D220 IonicContact NH1-OD1 2.77Å; R148-D220 PolarHBondContact NH1-OD1 2.72Å; R148-D220 IonicContact NH1-OD2 2.74Å; R148-D220 PolarHBondContact NH1-OD2 2.76Å; R148-D220 IonicContact NH2-OD1 3.32Å; R148-D220 PolarHBondContact NH2-OD1 2.71Å
149K70.8Confident70.1Confident81 Ų8170.5 Ų70.535%0.35236%0.362SS..Hα-helixtrans-59.8-47171.9-72.1174.3178.7169.80111.9W144 D145 L146 R147 S152 R153W144-K149 HydrophobicContact CB-CG 3.91Å; W144-K149 HydrophobicContact CE3-CG 4.32Å; W144-K149 WeakPolarHBondContact O-CE 3.27Å; W144-K149 PolarHBondContact O-NZ 2.99Å; D145-K149 WeakPolarHBondContact O-CG 3.42Å; D145-K149 PolarHBondContact O-N 3.06Å; D145-K149 VanDerWaalsContact O-N 3.14Å; L146-K149 PolarHBondContact O-N 3.48Å; R147-K149 VanDerWaalsContact C-N 3.31Å; R147-K149 PolarHBondContact O-N 3.17Å; K149-S152 PolarHBondContact O-N 3Å; K149-R153 WeakPolarHBondContact O-CB 3.46Å; K149-R153 WeakPolarHBondContact O-CG 3.14Å; K149-R153 PolarHBondContact O-N 3.3Å
150L71.1Confident69.8Low113 Ų11373 Ų7359%0.59237%0.368SS*.Hα-helixtrans-65.1-45.9179-75.5170.7000112.4L146 R147 S152 R153 G154L146-L150 HydrophobicContact CG-CD1 4.41Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.45Å; L146-L150 PolarHBondContact O-N 2.97Å; R147-L150 PolarHBondContact O-N 3.33Å; L150-S152 VanDerWaalsContact C-N 3.32Å; L150-S152 PolarHBondContact O-N 3.41Å; L150-R153 PolarHBondContact O-N 2.9Å; L150-G154 PolarHBondContact O-N 3.28Å
151I73.8Confident69.4Low73 Ų7376.2 Ų76.237%0.37439%0.385SS..Hα-helixtrans-58.8-47177.4-69.2167.6000110.2R147 G154 A155 I233R147-I151 HydrophobicContact CG-CD1 3.98Å; R147-I151 WeakPolarHBondContact O-CG1 3.42Å; R147-I151 PolarHBondContact O-N 3.16Å; I151-G154 PolarHBondContact O-N 3.37Å; I151-A155 WeakPolarHBondContact O-CB 3.31Å; I151-A155 PolarHBondContact O-N 3.11Å; I151-I233 HydrophobicContact CG2-CD1 4.22Å
152S68.9Low69Low15 Ų1577.9 Ų77.911%0.10539%0.393CS..Hα-helixtrans-66.7-43.1-178.6-179.80000112.5Y135 R148 K149 L150 N156Y135-S152 PolarHBondContact OH-OG 2.91Å; R148-S152 VanDerWaalsContact O-CB 3.22Å; R148-S152 WeakPolarHBondContact O-CB 3.41Å; R148-S152 PolarHBondContact O-N 2.58Å; K149-S152 PolarHBondContact O-N 3Å; L150-S152 VanDerWaalsContact C-N 3.32Å; L150-S152 PolarHBondContact O-N 3.41Å; S152-N156 VanDerWaalsContact O-CB 3.31Å; S152-N156 WeakPolarHBondContact O-CB 3.32Å; S152-N156 PolarHBondContact O-N 3.38Å
153R71.8Confident68.7Low167 Ų16772.1 Ų72.163%0.6337%0.371SS*.Hα-helixtrans-65.3-39174.3-71.1-172.3102.2163.97.5112Y135 K149 L150 N156 F157Y135-R153 HydrophobicContact CE1-CG 4.07Å; K149-R153 WeakPolarHBondContact O-CB 3.46Å; K149-R153 WeakPolarHBondContact O-CG 3.14Å; K149-R153 PolarHBondContact O-N 3.3Å; L150-R153 PolarHBondContact O-N 2.9Å; R153-N156 PolarHBondContact O-N 3.25Å; R153-F157 VanDerWaalsContact O-CB 3.28Å; R153-F157 WeakPolarHBondContact O-CB 3.5Å; R153-F157 PolarHBondContact O-N 2.87Å
154G72.2Confident68.7Low40 Ų4077.9 Ų77.941%0.41237%0.372SS..Hα-helixtrans-64.6-46.917700000112.4L150 I151 N156 F157 L158L150-G154 PolarHBondContact O-N 3.28Å; I151-G154 PolarHBondContact O-N 3.37Å; G154-N156 VanDerWaalsContact C-N 3.34Å; G154-N156 PolarHBondContact O-N 3.01Å; G154-F157 PolarHBondContact O-N 3.18Å; G154-L158 WeakPolarHBondContact O-CB 3.14Å; G154-L158 PolarHBondContact O-N 3Å
155A70Confident68.6Low24 Ų2477.2 Ų77.220%0.19837%0.37CS..Hα-helixtrans-58.3-47.5174.400000111.2I151 L158 T159 F236I151-A155 WeakPolarHBondContact O-CB 3.31Å; I151-A155 PolarHBondContact O-N 3.11Å; A155-L158 PolarHBondContact O-N 3.23Å; A155-T159 PolarHBondContact O-N 3.27Å; A155-T159 PolarHBondContact O-OG1 3.14Å; A155-F236 HydrophobicContact CB-CD1 4.3Å; A155-F236 HydrophobicContact CB-CE1 3.7Å; A155-F236 HydrophobicContact CB-CZ 4.03Å
156N68.7Low68.3Low7 Ų775.3 Ų75.34%0.03737%0.373CS..Hα-helixtrans-65.6-40.9180-165.244.1000112.5Y135 S152 R153 G154 T159 Q160 S168 L170Y135-N156 WeakPolarHBondContact CD2-ND2 3.39Å; Y135-N156 HydrophobicContact CE2-CB 4.29Å; Y135-N156 WeakPolarHBondContact CE2-ND2 3.25Å; S152-N156 VanDerWaalsContact O-CB 3.31Å; S152-N156 WeakPolarHBondContact O-CB 3.32Å; S152-N156 PolarHBondContact O-N 3.38Å; R153-N156 PolarHBondContact O-N 3.25Å; G154-N156 VanDerWaalsContact C-N 3.34Å; G154-N156 PolarHBondContact O-N 3.01Å; N156-T159 PolarHBondContact O-N 3.42Å; N156-Q160 WeakPolarHBondContact O-CB 3.3Å; N156-Q160 VanDerWaalsContact O-CG 3.32Å; N156-Q160 WeakPolarHBondContact O-CG 3.43Å; N156-Q160 PolarHBondContact O-N 3.44Å; N156-S168 PolarHBondContact ND2-O 2.83Å; N156-S168 PolarHBondContact OD1-O 3.26Å; N156-L170 PolarHBondContact OD1-N 2.71Å
157F71.8Confident68.7Low138 Ų13869.4 Ų69.461%0.60534%0.343SS*.Hα-helixtrans-62.3-47.2175.1177.8-100.8000111.9R153 G154 T159 Q160 V161R153-F157 VanDerWaalsContact O-CB 3.28Å; R153-F157 WeakPolarHBondContact O-CB 3.5Å; R153-F157 PolarHBondContact O-N 2.87Å; G154-F157 PolarHBondContact O-N 3.18Å; F157-T159 VanDerWaalsContact C-N 3.29Å; F157-T159 PolarHBondContact O-N 3.49Å; F157-Q160 PolarHBondContact O-N 3.39Å; F157-Q160 VanDerWaalsContact O-N 3.17Å; F157-V161 HydrophobicContact CD1-CG2 4.28Å; F157-V161 HydrophobicContact CD2-CG2 4.34Å; F157-V161 HydrophobicContact CE1-CG2 3.86Å; F157-V161 HydrophobicContact CE2-CG2 3.93Å; F157-V161 HydrophobicContact CZ-CG2 3.67Å; F157-V161 WeakPolarHBondContact O-CG2 3.48Å; F157-V161 PolarHBondContact O-N 3.06Å
158L69Low68.9Low75 Ų7561.1 Ų61.139%0.39331%0.314SS..Hα-helixtrans-59.1-44178.6-173.368.1000111G154 A155 V161 L162 L240G154-L158 WeakPolarHBondContact O-CB 3.14Å; G154-L158 PolarHBondContact O-N 3Å; A155-L158 PolarHBondContact O-N 3.23Å; L158-V161 PolarHBondContact O-N 3.31Å; L158-L162 HydrophobicContact CD1-CD1 3.94Å; L158-L162 HydrophobicContact CD1-CG 4.38Å; L158-L162 HydrophobicContact CG-CD1 3.89Å; L158-L162 WeakPolarHBondContact O-CB 3.37Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.92Å; L158-L240 HydrophobicContact CB-CD2 4.48Å; L158-L240 HydrophobicContact CD2-CD2 3.56Å; L158-L240 HydrophobicContact CG-CD2 3.76Å
159T65.8Low69.3Low0 Ų058.7 Ų58.70%031%0.305CS..Hα-helixtrans-67.6-37.9176.9-50.20000112.5A155 N156 F157 L163 L170 M198 F236 L240A155-T159 PolarHBondContact O-N 3.27Å; A155-T159 PolarHBondContact O-OG1 3.14Å; N156-T159 PolarHBondContact O-N 3.42Å; F157-T159 VanDerWaalsContact C-N 3.29Å; F157-T159 PolarHBondContact O-N 3.49Å; T159-L163 HydrophobicContact CG2-CB 4.36Å; T159-L163 HydrophobicContact CG2-CD1 3.8Å; T159-L163 HydrophobicContact CG2-CG 4.19Å; T159-L163 WeakPolarHBondContact O-CB 3.29Å; T159-L163 PolarHBondContact O-N 3.01Å; T159-L170 HydrophobicContact CG2-CD1 3.23Å; T159-L170 HydrophobicContact CG2-CG 4.47Å; T159-M198 HydrophobicContact CG2-CG 3.89Å; T159-M198 HydrophobicContact CG2-SD 3.52Å; T159-M198 VanDerWaalsContact CG2-SD 3.52Å; T159-F236 WeakPolarHBondContact OG1-CZ 3.37Å; T159-L240 HydrophobicContact CG2-CD1 3.63Å
160Q69.4Low69.4Low73 Ų7354.9 Ų54.934%0.34129%0.288SS..Hα-helixtrans-62.2-42.5174.6-78.5-17711.900112.3N156 F157 R164 S168 L170N156-Q160 WeakPolarHBondContact O-CB 3.3Å; N156-Q160 VanDerWaalsContact O-CG 3.32Å; N156-Q160 WeakPolarHBondContact O-CG 3.43Å; N156-Q160 PolarHBondContact O-N 3.44Å; F157-Q160 PolarHBondContact O-N 3.39Å; F157-Q160 VanDerWaalsContact O-N 3.17Å; Q160-R164 WeakPolarHBondContact O-CA 3.32Å; Q160-R164 PolarHBondContact O-N 3.5Å; Q160-R164 VanDerWaalsContact O-N 3.08Å; Q160-S168 PolarHBondContact NE2-O 2.83Å; Q160-L170 HydrophobicContact CG-CD1 4.48Å
161V67.4Low69.6Low80 Ų8051 Ų5149%0.48527%0.27SS..Hα-helixtrans-68.4-46.3179.5172.60000111.1F157 L158F157-V161 HydrophobicContact CD1-CG2 4.28Å; F157-V161 HydrophobicContact CD2-CG2 4.34Å; F157-V161 HydrophobicContact CE1-CG2 3.86Å; F157-V161 HydrophobicContact CE2-CG2 3.93Å; F157-V161 HydrophobicContact CZ-CG2 3.67Å; F157-V161 WeakPolarHBondContact O-CG2 3.48Å; F157-V161 PolarHBondContact O-N 3.06Å; L158-V161 PolarHBondContact O-N 3.31Å
162L63.2Low69.9Low59 Ų5947.7 Ų47.731%0.30925%0.253SS..Hα-helixtrans-77.6-43.2-173.9-69.6177000113.2L158 L240 F244L158-L162 HydrophobicContact CD1-CD1 3.94Å; L158-L162 HydrophobicContact CD1-CG 4.38Å; L158-L162 HydrophobicContact CG-CD1 3.89Å; L158-L162 WeakPolarHBondContact O-CB 3.37Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.92Å; L162-L240 HydrophobicContact CD1-CD2 3.83Å; L162-L240 HydrophobicContact CD1-CG 4.13Å; L162-F244 HydrophobicContact CB-CD2 4.25Å; L162-F244 HydrophobicContact CD2-CE2 4.48Å
163L64.8Low70.6Confident18 Ų1847.5 Ų47.59%0.09425%0.251CS..Hα-helixtrans-104.7-8.7-171.3-57.5-171.7000113.6T159 P165 V202 L240 L243 F244T159-L163 HydrophobicContact CG2-CB 4.36Å; T159-L163 HydrophobicContact CG2-CD1 3.8Å; T159-L163 HydrophobicContact CG2-CG 4.19Å; T159-L163 WeakPolarHBondContact O-CB 3.29Å; T159-L163 PolarHBondContact O-N 3.01Å; L163-P165 VanDerWaalsContact C-CD 3.45Å; L163-P165 VanDerWaalsContact C-N 3.29Å; L163-P165 VanDerWaalsContact O-N 3.12Å; L163-V202 HydrophobicContact CB-CG2 4.31Å; L163-V202 HydrophobicContact CD1-CB 4.35Å; L163-V202 HydrophobicContact CD1-CG1 4.07Å; L163-V202 HydrophobicContact CD1-CG2 3.36Å; L163-V202 HydrophobicContact CG-CG2 4.47Å; L163-L240 HydrophobicContact CD1-CD1 3.63Å; L163-L240 HydrophobicContact CG-CD1 3.86Å; L163-L243 HydrophobicContact CD1-CB 4.15Å; L163-L243 HydrophobicContact CD1-CD1 4.43Å; L163-F244 HydrophobicContact CD2-CB 3.87Å; L163-F244 HydrophobicContact CD2-CD2 4.14Å
164R61.4Low71.7Confident189 Ų18939.6 Ų39.671%0.71322%0.222SC*.  trans37.352.6-176.8-63-177.3176.5-178.4-1.9113.4Q160 G166 R205Q160-R164 WeakPolarHBondContact O-CA 3.32Å; Q160-R164 PolarHBondContact O-N 3.5Å; Q160-R164 VanDerWaalsContact O-N 3.08Å; R164-G166 PolarHBondContact O-N 2.72Å; R164-G166 VanDerWaalsContact O-N 3.13Å; R164-R205 WeakPolarHBondContact O-CD 3.27Å; R164-R205 PolarHBondContact O-NE 2.94Å; R164-R205 PolarHBondContact O-NH1 3.46Å; R164-R205 PolarHBondContact O-NH2 3.19Å
165P62.8Low72.8Confident5 Ų537.7 Ų37.73%0.03220%0.202CC..  trans-71.9-13.5-16423.4-26.8000114.4L163 A167 L170 I201 R205L163-P165 VanDerWaalsContact C-CD 3.45Å; L163-P165 VanDerWaalsContact C-N 3.29Å; L163-P165 VanDerWaalsContact O-N 3.12Å; P165-A167 PolarHBondContact O-N 3.39Å; P165-L170 HydrophobicContact CB-CD1 4.42Å; P165-L170 HydrophobicContact CB-CD2 3.63Å; P165-L170 HydrophobicContact CG-CD1 3.35Å; P165-L170 HydrophobicContact CG-CD2 3.37Å; P165-L170 HydrophobicContact CG-CG 3.91Å; P165-I201 HydrophobicContact CB-CG2 4.12Å; P165-R205 WeakPolarHBondContact O-CD 3.3Å; P165-R205 PolarHBondContact O-NH1 2.9Å; P165-R205 VanDerWaalsContact O-NH1 3.11Å
166G64.4Low74.1Confident57 Ų5736.6 Ų36.659%0.58819%0.193SC*.SBendtrans72.613.5-178.400000114R164 R205R164-G166 PolarHBondContact O-N 2.72Å; R164-G166 VanDerWaalsContact O-N 3.13Å; G166-R205 VanDerWaalsContact N-NH1 3.1Å
167A76.3Confident75.5Confident5 Ų536.2 Ų36.24%0.04119%0.191CC..  trans-120.7143.7167.200000109P165 L170 I201 V211P165-A167 PolarHBondContact O-N 3.39Å; A167-L170 HydrophobicContact CB-CD2 4.13Å; A167-I201 HydrophobicContact CB-CG2 3.77Å; A167-V211 HydrophobicContact CB-CG1 4.29Å
168S73Confident76.8Confident14 Ų1431.8 Ų31.810%0.09817%0.171CC..SBendtrans-79-26.2-177.8710000113.4T133 Y135 L136 N156 Q160 E213T133-S168 VanDerWaalsContact CB-OG 3.25Å; T133-S168 WeakPolarHBondContact CB-OG 3.02Å; T133-S168 PolarHBondContact OG1-OG 2.89Å; Y135-S168 WeakPolarHBondContact CD2-O 3.39Å; L136-S168 VanDerWaalsContact CD1-OG 3.29Å; L136-S168 WeakPolarHBondContact CD1-OG 3.47Å; L136-S168 VanDerWaalsContact CG-OG 3.3Å; L136-S168 WeakPolarHBondContact CG-OG 3.43Å; N156-S168 PolarHBondContact ND2-O 2.83Å; N156-S168 PolarHBondContact OD1-O 3.26Å; Q160-S168 PolarHBondContact NE2-O 2.83Å; S168-E213 WeakPolarHBondContact CA-OE1 3.38Å; S168-E213 WeakPolarHBondContact CB-OE1 3.4Å; S168-E213 WeakPolarHBondContact CB-OE2 3.46Å; S168-E213 VanDerWaalsContact N-CD 3.32Å; S168-E213 PolarHBondContact N-OE1 2.93Å; S168-E213 PolarHBondContact N-OE2 2.67Å; S168-E213 VanDerWaalsContact N-OE2 3.15Å; S168-E213 PolarHBondContact OG-OE1 2.88Å; S168-E213 PolarHBondContact OG-OE2 3.06Å
169D77.9Confident78.1Confident0 Ų031 Ų310%017%0.165CC..  trans-130.4111.1179.6-169-15.2000111.9R134 Y135 T171 G172R134-D169 IonicContact CZ-OD1 2.83Å; R134-D169 IonicContact CZ-OD2 3.62Å; R134-D169 PolarHBondContact N-OD2 2.76Å; R134-D169 IonicContact NE-OD1 2.71Å; R134-D169 IonicContact NE-OD2 3.49Å; R134-D169 PolarHBondContact NE-OD2 3.22Å; R134-D169 VanDerWaalsContact NH2-CG 3.3Å; R134-D169 IonicContact NH2-OD1 3.03Å; R134-D169 PolarHBondContact NH2-OD1 3.06Å; R134-D169 IonicContact NH2-OD2 2.67Å; R134-D169 PolarHBondContact NH2-OD2 3.41Å; Y135-D169 HydrophobicContact CD2-CB 3.8Å; Y135-D169 HydrophobicContact CE2-CB 4.02Å; D169-T171 PolarHBondContact OD1-N 3.06Å; D169-T171 VanDerWaalsContact OD1-N 3.07Å; D169-T171 PolarHBondContact OD1-OG1 3.02Å; D169-G172 PolarHBondContact OD1-N 3.07Å
170L74.4Confident79.6Confident0 Ų039.2 Ų39.20%020%0.201CC..SBendtrans-97.9-11.6-174.6-58.3164.8000113.2N156 T159 Q160 P165 A167 R175 Q197 M198 I201N156-L170 PolarHBondContact OD1-N 2.71Å; T159-L170 HydrophobicContact CG2-CD1 3.23Å; T159-L170 HydrophobicContact CG2-CG 4.47Å; Q160-L170 HydrophobicContact CG-CD1 4.48Å; P165-L170 HydrophobicContact CB-CD1 4.42Å; P165-L170 HydrophobicContact CB-CD2 3.63Å; P165-L170 HydrophobicContact CG-CD1 3.35Å; P165-L170 HydrophobicContact CG-CD2 3.37Å; P165-L170 HydrophobicContact CG-CG 3.91Å; A167-L170 HydrophobicContact CB-CD2 4.13Å; L170-R175 PolarHBondContact O-NH2 2.81Å; L170-Q197 CarbonylContact O-C 3.45Å; L170-M198 HydrophobicContact CB-CG 4.48Å; L170-M198 WeakPolarHBondContact O-CA 3.45Å; L170-M198 PolarHBondContact O-N 3.29Å; L170-I201 HydrophobicContact CD2-CB 3.79Å; L170-I201 HydrophobicContact CD2-CG1 4.29Å; L170-I201 HydrophobicContact CD2-CG2 3.43Å; L170-I201 VanDerWaalsContact CD2-CG2 3.43Å
171T74.6Confident80.8Confident33 Ų3336.1 Ų36.120%0.20219%0.186CC..SBendtrans-106.7-9.9-17461.40000112.7R134 D169 F236R134-T171 PolarHBondContact NH2-OG1 3.44Å; D169-T171 PolarHBondContact OD1-N 3.06Å; D169-T171 VanDerWaalsContact OD1-N 3.07Å; D169-T171 PolarHBondContact OD1-OG1 3.02Å; T171-F236 HydrophobicContact CG2-CE2 3.87Å; T171-F236 HydrophobicContact CG2-CZ 4.27Å
172G79.6Confident82.2Confident3 Ų332.3 Ų32.33%0.03116%0.163CC..  trans-67.5132.6172.400000112D169 R175D169-G172 PolarHBondContact OD1-N 3.07Å; G172-R175 PolarHBondContact O-NE 2.98Å; G172-R175 PolarHBondContact O-NH2 3.06Å
173S85.2Confident83.5Confident10 Ų1033.8 Ų33.87%0.0717%0.169CC..  trans-95.4-10.2179.445.60000113.7I103 D105 H110 R175I103-S173 WeakPolarHBondContact CG1-O 3.39Å; D105-S173 PolarHBondContact OD2-OG 3.02Å; H110-S173 PolarHBondContact CE1-OG 2.74Å; S173-R175 PolarHBondContact O-N 3.36Å
174F93.8Very high84.9Confident1 Ų134.1 Ų34.10%0.00417%0.172CC..  trans-84.1106.9178.1-174.6-163.6000112.2I102 I103 M104 H110 F114 I115 F118 G132 I216I102-F174 HydrophobicContact CG2-CD2 4.31Å; I102-F174 HydrophobicContact CG2-CE2 3.81Å; I103-F174 WeakPolarHBondContact O-CA 3.22Å; M104-F174 HydrophobicContact CB-CD2 3.85Å; M104-F174 HydrophobicContact CB-CE2 4.27Å; M104-F174 HydrophobicContact CB-CG 4.46Å; M104-F174 HydrophobicContact SD-CE2 4.48Å; H110-F174 HydrophobicContact CB-CB 4.15Å; H110-F174 HydrophobicContact CB-CD1 3.89Å; H110-F174 HydrophobicContact CB-CE1 4.41Å; H110-F174 HydrophobicContact CB-CG 4.06Å; H110-F174 WeakPolarHBondContact CD2-CB 3.41Å; F114-F174 HydrophobicContact CB-CE1 3.99Å; F114-F174 HydrophobicContact CD2-CE1 4.47Å; I115-F174 HydrophobicContact CG1-CE2 4.06Å; I115-F174 HydrophobicContact CG1-CZ 3.68Å; F118-F174 HydrophobicContact CE1-CD2 4.27Å; F118-F174 HydrophobicContact CE1-CE2 4.46Å; F118-F174 HydrophobicContact CE1-CG 4.31Å; F118-F174 WeakPolarHBondContact CE1-O 3.21Å; F118-F174 HydrophobicContact CE2-CD1 4.3Å; F118-F174 HydrophobicContact CE2-CE1 4.07Å; F118-F174 HydrophobicContact CE2-CZ 4.37Å; F118-F174 AromaticContact CZ-CD1 3.84Å; F118-F174 HydrophobicContact CZ-CD1 3.84Å; F118-F174 HydrophobicContact CZ-CD2 4.34Å; F118-F174 HydrophobicContact CZ-CE1 4.02Å; F118-F174 HydrophobicContact CZ-CE2 4.48Å; F118-F174 HydrophobicContact CZ-CG 4.01Å; F118-F174 HydrophobicContact CZ-CZ 4.33Å; G132-F174 PolarHBondContact N-O 2.87Å; F174-I216 HydrophobicContact CB-CD1 4.49Å; F174-I216 HydrophobicContact CD1-CD1 4.17Å
175R95.8Very high86.3Confident0 Ų025.1 Ų25.10%014%0.138CC..EExtended strand (participates in β ladder)trans-145.8148.3-171.4-61-179-175.6159.37.1111.6I102 I103 V130 S131 L170 G172 S173 Y177 Q197 I201I102-R175 CarbonylContact C-O 3.58Å; I102-R175 WeakPolarHBondContact CA-O 3.48Å; I103-R175 HydrophobicContact CD1-CB 4.29Å; I103-R175 HydrophobicContact CG1-CB 3.94Å; I103-R175 PolarHBondContact N-O 2.71Å; I103-R175 PolarHBondContact O-N 2.77Å; I103-R175 VanDerWaalsContact O-N 3.11Å; V130-R175 CarbonylContact O-C 3.54Å; V130-R175 VanDerWaalsContact O-CA 3.31Å; V130-R175 WeakPolarHBondContact O-CA 3.25Å; S131-R175 PolarHBondContact OG-NE 3.05Å; L170-R175 PolarHBondContact O-NH2 2.81Å; G172-R175 PolarHBondContact O-NE 2.98Å; G172-R175 PolarHBondContact O-NH2 3.06Å; S173-R175 PolarHBondContact O-N 3.36Å; R175-Y177 HydrophobicContact CB-CD2 4.09Å; R175-Y177 HydrophobicContact CB-CE2 3.41Å; R175-Y177 VanDerWaalsContact CB-CE2 3.41Å; R175-Y177 WeakPolarHBondContact CD-OH 3.21Å; R175-Y177 HydrophobicContact CG-CE2 4.35Å; R175-Y177 PolarHBondContact NH1-OH 2.89Å; R175-Q197 VanDerWaalsContact CZ-O 3.32Å; R175-Q197 PolarHBondContact NH1-O 3.08Å; R175-Q197 PolarHBondContact NH2-O 2.8Å; R175-I201 VanDerWaalsContact CZ-CG1 3.45Å
176L97.9Very high87.5Confident1 Ų125.2 Ų25.21%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-112.3133.2169173.2138.5000108.7Y14 F100 I101 I102 F118 I119 Q122 L129 V130Y14-L176 HydrophobicContact CD1-CD1 3.84Å; Y14-L176 HydrophobicContact CE1-CD1 3.97Å; F100-L176 HydrophobicContact CD1-CD2 4.17Å; I101-L176 CarbonylContact O-C 3.53Å; I101-L176 WeakPolarHBondContact O-CA 3.45Å; I102-L176 HydrophobicContact CD1-CD1 4.09Å; I102-L176 HydrophobicContact CG1-CB 4.19Å; I102-L176 HydrophobicContact CG1-CD1 3.71Å; I102-L176 HydrophobicContact CG1-CG 4.22Å; F118-L176 HydrophobicContact CB-CB 4.25Å; F118-L176 HydrophobicContact CD1-CB 3.92Å; I119-L176 HydrophobicContact CG1-CD1 3.86Å; Q122-L176 HydrophobicContact CB-CD2 3.57Å; Q122-L176 HydrophobicContact CG-CD2 3.58Å; L129-L176 CarbonylContact C-O 3.54Å; L129-L176 VanDerWaalsContact CA-O 3.24Å; L129-L176 WeakPolarHBondContact CA-O 3.21Å; V130-L176 HydrophobicContact CB-CB 4.48Å; V130-L176 HydrophobicContact CB-CD2 4.4Å; V130-L176 HydrophobicContact CG2-CD2 4.33Å; V130-L176 PolarHBondContact N-O 3.33Å; V130-L176 PolarHBondContact O-N 3.03Å
177Y98.1Very high88.6Confident0 Ų029.6 Ų29.60%014%0.144CC..EExtended strand (participates in β ladder)trans-127.5149-179.8-64.8-93.6000110.4F100 I101 I103 L129 R175 V181 L182 L185F100-Y177 CarbonylContact C-O 3.42Å; F100-Y177 WeakPolarHBondContact CA-O 3.42Å; I101-Y177 PolarHBondContact N-O 3.24Å; I101-Y177 PolarHBondContact O-N 3.26Å; I103-Y177 HydrophobicContact CD1-CE2 3.71Å; I103-Y177 HydrophobicContact CG1-CD2 4.42Å; I103-Y177 HydrophobicContact CG1-CE2 3.86Å; L129-Y177 HydrophobicContact CB-CD1 3.43Å; L129-Y177 VanDerWaalsContact CB-CD1 3.43Å; L129-Y177 HydrophobicContact CB-CE1 3.68Å; L129-Y177 HydrophobicContact CB-CG 4.18Å; L129-Y177 HydrophobicContact CD1-CE1 4.17Å; L129-Y177 HydrophobicContact CD2-CD1 4.44Å; L129-Y177 HydrophobicContact CD2-CE1 4.18Å; L129-Y177 HydrophobicContact CG-CD1 4.41Å; L129-Y177 HydrophobicContact CG-CE1 4.24Å; R175-Y177 HydrophobicContact CB-CD2 4.09Å; R175-Y177 HydrophobicContact CB-CE2 3.41Å; R175-Y177 VanDerWaalsContact CB-CE2 3.41Å; R175-Y177 WeakPolarHBondContact CD-OH 3.21Å; R175-Y177 HydrophobicContact CG-CE2 4.35Å; R175-Y177 PolarHBondContact NH1-OH 2.89Å; Y177-V181 HydrophobicContact CD1-CG1 4.2Å; Y177-L182 HydrophobicContact CD1-CB 4.35Å; Y177-L182 HydrophobicContact CD1-CD1 4.35Å; Y177-L182 HydrophobicContact CD2-CB 4.41Å; Y177-L182 HydrophobicContact CD2-CD1 3.9Å; Y177-L182 HydrophobicContact CD2-CD2 4.33Å; Y177-L182 HydrophobicContact CD2-CG 4.45Å; Y177-L182 HydrophobicContact CE1-CD1 4.35Å; Y177-L182 HydrophobicContact CE2-CD1 3.86Å; Y177-L182 HydrophobicContact CG-CB 3.98Å; Y177-L182 HydrophobicContact CG-CD1 4.13Å; Y177-L182 HydrophobicContact CG-CG 4.48Å; Y177-L185 HydrophobicContact CD1-CD1 4.36Å; Y177-L185 HydrophobicContact CE1-CD1 3.94Å
178K98.2Very high89Confident44 Ų4435.8 Ų35.819%0.19117%0.167CC..EExtended strand (participates in β ladder)trans-60.9136.6152.9-67.7177.2-173.8167.20108.1F100 D126 Y127 D128 K180 V181 L182F100-K178 HydrophobicContact CD1-CG 4.25Å; F100-K178 HydrophobicContact CE1-CG 3.64Å; F100-K178 HydrophobicContact CZ-CG 4.41Å; D126-K178 PolarHBondContact O-NZ 2.82Å; D126-K178 WeakPolarHBondContact OD1-CE 3.33Å; D126-K178 IonicContact OD1-NZ 3.5Å; D126-K178 PolarHBondContact OD1-NZ 2.78Å; D126-K178 IonicContact OD2-NZ 2.66Å; D126-K178 PolarHBondContact OD2-NZ 3.35Å; D126-K178 VanDerWaalsContact OD2-NZ 3.13Å; Y127-K178 WeakPolarHBondContact O-CE 3.3Å; D128-K178 PolarHBondContact O-N 2.83Å; D128-K178 IonicContact OD1-NZ 3.39Å; D128-K178 PolarHBondContact OD1-NZ 2.66Å; K178-K180 VanDerWaalsContact C-N 3.32Å; K178-K180 PolarHBondContact O-N 3.22Å; K178-V181 HydrophobicContact CB-CB 4.28Å; K178-V181 HydrophobicContact CB-CG2 3.81Å; K178-V181 WeakPolarHBondContact O-CB 3.48Å; K178-V181 PolarHBondContact O-N 3.38Å; K178-L182 PolarHBondContact O-N 3.1Å
179K96.7Very high89.4Confident59 Ų5936.2 Ų36.226%0.25717%0.169SC..Hα-helixtrans-53.6-46.5-174.7-179.9173.4176.7-179.60113.1A96 G98 N99 I101 V181 L182 E183A96-K179 PolarHBondContact O-NZ 3.09Å; G98-K179 VanDerWaalsContact O-CD 3.31Å; G98-K179 WeakPolarHBondContact O-CD 3.31Å; N99-K179 WeakPolarHBondContact O-CB 3.21Å; N99-K179 PolarHBondContact O-N 2.67Å; I101-K179 HydrophobicContact CD1-CB 4.3Å; I101-K179 HydrophobicContact CD1-CD 4.28Å; I101-K179 HydrophobicContact CD1-CG 4.13Å; I101-K179 HydrophobicContact CG1-CB 3.95Å; I101-K179 HydrophobicContact CG1-CG 4.03Å; K179-V181 VanDerWaalsContact C-N 3.26Å; K179-V181 PolarHBondContact O-N 3.49Å; K179-L182 PolarHBondContact O-N 3.15Å; K179-E183 PolarHBondContact O-N 2.67Å
180K95.8Very high89.3Confident173 Ų17342 Ų4275%0.75220%0.204SC*.Hα-helixtrans-60.9-32.8178.6-65.7-177177-179.30113.3K178 S184K178-K180 VanDerWaalsContact C-N 3.32Å; K178-K180 PolarHBondContact O-N 3.22Å; K180-S184 WeakPolarHBondContact O-CB 3.26Å; K180-S184 PolarHBondContact O-N 3.25Å
181V96.3Very high89.3Confident7 Ų743.7 Ų43.74%0.04222%0.216CC..Hα-helixtrans-70.3-47.5179.3174.70000109.6D128 Y177 K178 K179 E183 S184 L185 Y209D128-V181 HydrophobicContact CB-CG1 4.29Å; D128-V181 HydrophobicContact CB-CG2 3.85Å; Y177-V181 HydrophobicContact CD1-CG1 4.2Å; K178-V181 HydrophobicContact CB-CB 4.28Å; K178-V181 HydrophobicContact CB-CG2 3.81Å; K178-V181 WeakPolarHBondContact O-CB 3.48Å; K178-V181 PolarHBondContact O-N 3.38Å; K179-V181 VanDerWaalsContact C-N 3.26Å; K179-V181 PolarHBondContact O-N 3.49Å; V181-E183 VanDerWaalsContact C-N 3.33Å; V181-E183 PolarHBondContact O-N 3.03Å; V181-S184 PolarHBondContact O-N 2.83Å; V181-L185 HydrophobicContact CG1-CD1 3.86Å; V181-L185 HydrophobicContact CG1-CG 4.45Å; V181-L185 WeakPolarHBondContact O-CB 3.21Å; V181-L185 VanDerWaalsContact O-CG 3.23Å; V181-L185 WeakPolarHBondContact O-CG 3.42Å; V181-L185 PolarHBondContact O-N 3.03Å; V181-Y209 HydrophobicContact CG1-CD1 4.38Å; V181-Y209 HydrophobicContact CG1-CD2 3.8Å; V181-Y209 HydrophobicContact CG1-CE2 3.95Å; V181-Y209 HydrophobicContact CG1-CG 4.05Å; V181-Y209 HydrophobicContact CG2-CD1 4.16Å; V181-Y209 HydrophobicContact CG2-CE1 3.98Å
182L95.1Very high89.1Confident0 Ų050 Ų500%024%0.241CC..Hα-helixtrans-61.4-43.4176.9-174.761.4000111.4M93 I101 I103 Y177 K178 K179 L185 V186 M200M93-L182 HydrophobicContact CE-CG 4.24Å; M93-L182 HydrophobicContact CG-CD2 3.97Å; M93-L182 HydrophobicContact SD-CB 3.87Å; M93-L182 HydrophobicContact SD-CD2 3.45Å; M93-L182 WeakPolarHBondContact SD-CD2 3.5Å; M93-L182 HydrophobicContact SD-CG 3.4Å; M93-L182 WeakPolarHBondContact SD-CG 3.41Å; I101-L182 HydrophobicContact CB-CD2 3.79Å; I101-L182 HydrophobicContact CG1-CD2 4.22Å; I101-L182 HydrophobicContact CG2-CD2 3.49Å; I101-L182 VanDerWaalsContact CG2-CD2 3.49Å; I103-L182 HydrophobicContact CG2-CD2 4.13Å; Y177-L182 HydrophobicContact CD1-CB 4.35Å; Y177-L182 HydrophobicContact CD1-CD1 4.35Å; Y177-L182 HydrophobicContact CD2-CB 4.41Å; Y177-L182 HydrophobicContact CD2-CD1 3.9Å; Y177-L182 HydrophobicContact CD2-CD2 4.33Å; Y177-L182 HydrophobicContact CD2-CG 4.45Å; Y177-L182 HydrophobicContact CE1-CD1 4.35Å; Y177-L182 HydrophobicContact CE2-CD1 3.86Å; Y177-L182 HydrophobicContact CG-CB 3.98Å; Y177-L182 HydrophobicContact CG-CD1 4.13Å; Y177-L182 HydrophobicContact CG-CG 4.48Å; K178-L182 PolarHBondContact O-N 3.1Å; K179-L182 PolarHBondContact O-N 3.15Å; L182-L185 PolarHBondContact O-N 3.2Å; L182-V186 HydrophobicContact CD1-CG2 3.78Å; L182-V186 HydrophobicContact CG-CG2 4.12Å; L182-V186 WeakPolarHBondContact O-CB 3.27Å; L182-V186 VanDerWaalsContact O-CG2 3.22Å; L182-V186 WeakPolarHBondContact O-CG2 3.32Å; L182-V186 PolarHBondContact O-N 2.99Å; L182-M200 HydrophobicContact CD1-CE 3.49Å; L182-M200 VanDerWaalsContact CD1-CE 3.49Å
183E92.4Very high88.6Confident91 Ų9151.9 Ų51.943%0.42526%0.26SS..Hα-helixtrans-56.4-54.2175.7-174.9169.5-14700111.6K179 V181 L185 V186 E187K179-E183 PolarHBondContact O-N 2.67Å; V181-E183 VanDerWaalsContact C-N 3.33Å; V181-E183 PolarHBondContact O-N 3.03Å; E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 3.35Å; E183-V186 PolarHBondContact O-N 3.21Å; E183-E187 WeakPolarHBondContact O-CG 3.42Å; E183-E187 PolarHBondContact O-N 2.93Å
184S92.8Very high87.6Confident24 Ų2455.9 Ų55.917%0.16827%0.274CS..Hα-helixtrans-58.3-35.3177.9173.70000113.5K180 V181 R188 Y209K180-S184 WeakPolarHBondContact O-CB 3.26Å; K180-S184 PolarHBondContact O-N 3.25Å; V181-S184 PolarHBondContact O-N 2.83Å; S184-R188 VanDerWaalsContact O-CD 3.32Å; S184-R188 WeakPolarHBondContact O-CD 3.18Å; S184-R188 VanDerWaalsContact O-CG 3.3Å; S184-R188 WeakPolarHBondContact O-CG 3.43Å; S184-Y209 PolarHBondContact OG-OH 3.01Å
185L91.9Very high86.8Confident0 Ų056.3 Ų56.30%028%0.277CS..Hα-helixtrans-77.4-42.9-178.5-71.3172.3000111.6Y177 V181 L182 E183 R188 C189 M200 R203 A204 L207 Y209Y177-L185 HydrophobicContact CD1-CD1 4.36Å; Y177-L185 HydrophobicContact CE1-CD1 3.94Å; V181-L185 HydrophobicContact CG1-CD1 3.86Å; V181-L185 HydrophobicContact CG1-CG 4.45Å; V181-L185 WeakPolarHBondContact O-CB 3.21Å; V181-L185 VanDerWaalsContact O-CG 3.23Å; V181-L185 WeakPolarHBondContact O-CG 3.42Å; V181-L185 PolarHBondContact O-N 3.03Å; L182-L185 PolarHBondContact O-N 3.2Å; E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 3.35Å; L185-R188 PolarHBondContact O-N 2.94Å; L185-C189 WeakPolarHBondContact O-CB 3.2Å; L185-C189 PolarHBondContact O-N 3.24Å; L185-C189 VanDerWaalsContact O-N 3.08Å; L185-M200 HydrophobicContact CB-CE 3.3Å; L185-M200 HydrophobicContact CB-SD 3.82Å; L185-M200 HydrophobicContact CD1-CE 3.9Å; L185-M200 HydrophobicContact CG-CE 4.24Å; L185-R203 HydrophobicContact CD2-CB 3.69Å; L185-A204 HydrophobicContact CD1-CB 4Å; L185-A204 HydrophobicContact CD2-CB 4.07Å; L185-L207 HydrophobicContact CD2-CD1 3.96Å; L185-Y209 HydrophobicContact CD2-CD2 4.28Å; L185-Y209 HydrophobicContact CD2-CE2 4.26Å; L185-Y209 HydrophobicContact CG-CD2 4.48Å; L185-Y209 HydrophobicContact CG-CE2 4.32Å
186V88.4Confident86.2Confident7 Ų756.5 Ų56.54%0.04228%0.278CS..Hα-helixtrans-69.4-37.8-177.5176.80000111.6I90 M93 L182 E183 R188 C189 F196 M200I90-V186 HydrophobicContact CD1-CG1 3.64Å; I90-V186 HydrophobicContact CG1-CB 4.43Å; I90-V186 HydrophobicContact CG1-CG1 3.18Å; M93-V186 HydrophobicContact CE-CB 4.05Å; M93-V186 HydrophobicContact CE-CG1 4.29Å; M93-V186 HydrophobicContact CE-CG2 4.04Å; L182-V186 HydrophobicContact CD1-CG2 3.78Å; L182-V186 HydrophobicContact CG-CG2 4.12Å; L182-V186 WeakPolarHBondContact O-CB 3.27Å; L182-V186 VanDerWaalsContact O-CG2 3.22Å; L182-V186 WeakPolarHBondContact O-CG2 3.32Å; L182-V186 PolarHBondContact O-N 2.99Å; E183-V186 PolarHBondContact O-N 3.21Å; V186-R188 PolarHBondContact O-N 3.13Å; V186-C189 PolarHBondContact O-N 2.85Å; V186-C189 VanDerWaalsContact O-N 3.16Å; V186-F196 HydrophobicContact CG2-CZ 4.17Å; V186-M200 HydrophobicContact CG2-CE 3.77Å; V186-M200 HydrophobicContact CG2-SD 4.13Å
187E85.8Confident85.5Confident149 Ų14956.9 Ų56.970%0.69628%0.279SS*.Hα-helixtrans-60.7-31.4175.1-75.4-178.1165.700113.1E183E183-E187 WeakPolarHBondContact O-CG 3.42Å; E183-E187 PolarHBondContact O-N 2.93Å
188R85.3Confident84.8Confident136 Ų13656.9 Ų56.951%0.51328%0.279SS..Hα-helixtrans-86.4-21.2179.6-66.6175.4178.4-112.1-0.2112S184 L185 V186 R203S184-R188 VanDerWaalsContact O-CD 3.32Å; S184-R188 WeakPolarHBondContact O-CD 3.18Å; S184-R188 VanDerWaalsContact O-CG 3.3Å; S184-R188 WeakPolarHBondContact O-CG 3.43Å; L185-R188 PolarHBondContact O-N 2.94Å; V186-R188 PolarHBondContact O-N 3.13Å; R188-R203 PolarHBondContact O-NH1 3.21Å; R188-R203 PolarHBondContact O-NH2 2.99Å
189C81.4Confident84.2Confident22 Ų2254.9 Ų54.915%0.14927%0.271CS..  trans-73.6130.3-172.9-166.20000111.8L185 V186 F196 E199 M200L185-C189 WeakPolarHBondContact O-CB 3.2Å; L185-C189 PolarHBondContact O-N 3.24Å; L185-C189 VanDerWaalsContact O-N 3.08Å; V186-C189 PolarHBondContact O-N 2.85Å; V186-C189 VanDerWaalsContact O-N 3.16Å; C189-F196 HydrophobicContact CB-CD2 4.41Å; C189-F196 HydrophobicContact CB-CE2 4.12Å; C189-F196 WeakPolarHBondContact SG-CD2 3.32Å; C189-E199 WeakPolarHBondContact CA-OE1 3.34Å; C189-E199 PolarHBondContact SG-OE2 3.12Å; C189-E199 VanDerWaalsContact SG-OE2 3.35Å; C189-M200 HydrophobicContact CB-SD 4.29Å
190V75.9Confident83.9Confident121 Ų12152.1 Ų52.173%0.73326%0.259SS*.  trans-109.8-22.5-179-162.70000111.3E199V190-E199 PolarHBondContact N-OE1 2.89Å
191S74.9Confident83.5Confident37 Ų3743.9 Ų43.926%0.25922%0.223SC..  trans-77.6156.4-175.6-54.60000114V195 E199S191-V195 VanDerWaalsContact OG-CG1 3.3Å; S191-V195 WeakPolarHBondContact OG-CG1 3.33Å; S191-E199 WeakPolarHBondContact CA-OE2 3.39Å; S191-E199 WeakPolarHBondContact CB-OE2 3.34Å; S191-E199 PolarHBondContact N-OE2 3.36Å; S191-E199 PolarHBondContact OG-OE2 3.25Å
192K71.1Confident83.1Confident165 Ų16543.9 Ų43.972%0.71722%0.223SC*.  trans-119.6161.2173.9-60.3179.7-177.1177.10109.7
193G67.1Low82.8Confident42 Ų4246 Ų4643%0.43323%0.231SC..THydrogen-bonded Turntrans67.9-149.1177.300000113V195 F196G193-V195 PolarHBondContact O-N 3.31Å; G193-F196 WeakPolarHBondContact O-CB 3.39Å; G193-F196 PolarHBondContact O-N 3.03Å
194Y65.6Low82.7Confident95 Ų9541.6 Ų41.637%0.37321%0.211SC..Hα-helixtrans-58.9-31.6-175.3-76-89.1000114.4F196 Q197 L228 E232Y194-F196 PolarHBondContact O-N 2.71Å; Y194-Q197 PolarHBondContact O-N 3.26Å; Y194-L228 HydrophobicContact CE1-CD2 4.18Å; Y194-L228 HydrophobicContact CE1-CG 4.43Å; Y194-E232 HydrophobicContact CD2-CB 4.21Å; Y194-E232 HydrophobicContact CD2-CG 4.27Å; Y194-E232 HydrophobicContact CE2-CG 4.33Å; Y194-E232 VanDerWaalsContact CE2-OE1 3.27Å; Y194-E232 WeakPolarHBondContact CE2-OE1 3.34Å; Y194-E232 WeakPolarHBondContact CE2-OE2 3.33Å
195V76.8Confident82.5Confident10 Ų1045.9 Ų45.96%0.06122%0.223CC..Hα-helixtrans-61.2-31.7178.6-174.50000111.3S191 G193 Q197 M198 E199 S235S191-V195 VanDerWaalsContact OG-CG1 3.3Å; S191-V195 WeakPolarHBondContact OG-CG1 3.33Å; G193-V195 PolarHBondContact O-N 3.31Å; V195-Q197 VanDerWaalsContact C-N 3.32Å; V195-Q197 PolarHBondContact O-N 3.16Å; V195-M198 HydrophobicContact CG1-CE 4.07Å; V195-M198 PolarHBondContact O-N 3.3Å; V195-E199 WeakPolarHBondContact O-CB 3.33Å; V195-E199 PolarHBondContact O-N 3.42Å; V195-S235 VanDerWaalsContact CG2-O 3.29Å; V195-S235 WeakPolarHBondContact CG2-O 3.42Å
196F82.4Confident82.2Confident3 Ų349.4 Ų49.41%0.01324%0.239CC..Hα-helixtrans-54.1-47.9178.2175.9-90.9000111.5Y89 V186 C189 G193 Y194 M198 E199 M200Y89-F196 AromaticContact CD2-CE1 3.62Å; Y89-F196 HydrophobicContact CD2-CE1 3.62Å; Y89-F196 AromaticContact CD2-CZ 3.74Å; Y89-F196 HydrophobicContact CD2-CZ 3.74Å; Y89-F196 HydrophobicContact CE2-CD1 4.33Å; Y89-F196 AromaticContact CE2-CE1 3.55Å; Y89-F196 HydrophobicContact CE2-CE1 3.55Å; Y89-F196 HydrophobicContact CE2-CZ 4.17Å; V186-F196 HydrophobicContact CG2-CZ 4.17Å; C189-F196 HydrophobicContact CB-CD2 4.41Å; C189-F196 HydrophobicContact CB-CE2 4.12Å; C189-F196 WeakPolarHBondContact SG-CD2 3.32Å; G193-F196 WeakPolarHBondContact O-CB 3.39Å; G193-F196 PolarHBondContact O-N 3.03Å; Y194-F196 PolarHBondContact O-N 2.71Å; F196-M198 VanDerWaalsContact C-N 3.31Å; F196-M198 PolarHBondContact O-N 2.88Å; F196-E199 PolarHBondContact O-N 3.27Å; F196-M200 HydrophobicContact CD1-CG 4.14Å; F196-M200 HydrophobicContact CE1-CG 3.71Å; F196-M200 HydrophobicContact CE1-SD 4.26Å; F196-M200 HydrophobicContact CE2-CG 4.24Å; F196-M200 HydrophobicContact CE2-SD 3.99Å; F196-M200 HydrophobicContact CZ-CE 4.42Å; F196-M200 HydrophobicContact CZ-CG 3.77Å; F196-M200 HydrophobicContact CZ-SD 3.69Å; F196-M200 WeakPolarHBondContact O-CG 3.31Å; F196-M200 PolarHBondContact O-N 3.34Å
197Q83.7Confident82.4Confident9 Ų951.4 Ų51.44%0.04225%0.25CC..Hα-helixtrans-64.9-37.7-175.8-65.2-62.5-9.200112.2Y89 L170 R175 Y194 V195Y89-Q197 PolarHBondContact OH-NE2 2.89Å; L170-Q197 CarbonylContact O-C 3.45Å; R175-Q197 VanDerWaalsContact CZ-O 3.32Å; R175-Q197 PolarHBondContact NH1-O 3.08Å; R175-Q197 PolarHBondContact NH2-O 2.8Å; Y194-Q197 PolarHBondContact O-N 3.26Å; V195-Q197 VanDerWaalsContact C-N 3.32Å; V195-Q197 PolarHBondContact O-N 3.16Å
198M82.8Confident82.7Confident0 Ų051.2 Ų51.20%025%0.253CS..Hα-helixtrans-67.9-48.5175176.6-178.270.700111.2T159 L170 V195 F196 M200 I201 V202 F236 L240 L243T159-M198 HydrophobicContact CG2-CG 3.89Å; T159-M198 HydrophobicContact CG2-SD 3.52Å; T159-M198 VanDerWaalsContact CG2-SD 3.52Å; L170-M198 HydrophobicContact CB-CG 4.48Å; L170-M198 WeakPolarHBondContact O-CA 3.45Å; L170-M198 PolarHBondContact O-N 3.29Å; V195-M198 HydrophobicContact CG1-CE 4.07Å; V195-M198 PolarHBondContact O-N 3.3Å; F196-M198 VanDerWaalsContact C-N 3.31Å; F196-M198 PolarHBondContact O-N 2.88Å; M198-M200 PolarHBondContact O-N 3.28Å; M198-I201 PolarHBondContact O-N 3.35Å; M198-I201 VanDerWaalsContact O-N 3.14Å; M198-V202 HydrophobicContact CG-CG2 4.28Å; M198-V202 WeakPolarHBondContact O-CG2 3.14Å; M198-V202 PolarHBondContact O-N 3.47Å; M198-V202 VanDerWaalsContact O-N 3.12Å; M198-F236 HydrophobicContact CB-CE2 4.35Å; M198-F236 HydrophobicContact CE-CE2 4.3Å; M198-F236 HydrophobicContact SD-CD2 4.41Å; M198-F236 HydrophobicContact SD-CE1 4.31Å; M198-F236 HydrophobicContact SD-CE2 3.59Å; M198-F236 VanDerWaalsContact SD-CE2 3.59Å; M198-F236 HydrophobicContact SD-CZ 3.54Å; M198-F236 VanDerWaalsContact SD-CZ 3.54Å; M198-L240 HydrophobicContact CE-CB 4.07Å; M198-L240 HydrophobicContact CE-CD1 4.3Å; M198-L240 HydrophobicContact SD-CD1 3.88Å; M198-L243 HydrophobicContact CE-CD1 3.71Å
199E86.4Confident83.2Confident3 Ų347.6 Ų47.61%0.01424%0.24CC..Hα-helixtrans-55.8-39.3179.8178.1168.8-179.600112.1C189 V190 S191 V195 F196 I201 V202 R203 L243C189-E199 WeakPolarHBondContact CA-OE1 3.34Å; C189-E199 PolarHBondContact SG-OE2 3.12Å; C189-E199 VanDerWaalsContact SG-OE2 3.35Å; V190-E199 PolarHBondContact N-OE1 2.89Å; S191-E199 WeakPolarHBondContact CA-OE2 3.39Å; S191-E199 WeakPolarHBondContact CB-OE2 3.34Å; S191-E199 PolarHBondContact N-OE2 3.36Å; S191-E199 PolarHBondContact OG-OE2 3.25Å; V195-E199 WeakPolarHBondContact O-CB 3.33Å; V195-E199 PolarHBondContact O-N 3.42Å; F196-E199 PolarHBondContact O-N 3.27Å; E199-I201 PolarHBondContact O-N 3.45Å; E199-V202 PolarHBondContact O-N 2.85Å; E199-R203 HydrophobicContact CG-CG 4.09Å; E199-R203 VanDerWaalsContact CG-NE 3.31Å; E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 WeakPolarHBondContact O-CG 3.36Å; E199-R203 PolarHBondContact O-N 3.26Å; E199-R203 IonicContact OE1-CZ 3.97Å; E199-R203 IonicContact OE1-NE 3.8Å; E199-R203 PolarHBondContact OE1-NE 3.07Å; E199-R203 IonicContact OE1-NH2 2.67Å; E199-R203 PolarHBondContact OE1-NH2 3.35Å; E199-L243 HydrophobicContact CB-CD1 3.96Å; E199-L243 HydrophobicContact CB-CD2 4.35Å; E199-L243 HydrophobicContact CG-CD1 4.41Å; E199-L243 HydrophobicContact CG-CD2 3.87Å
200M89.1Confident83.8Confident1 Ų149.5 Ų49.51%0.00525%0.251CS..Hα-helixtrans-58.6-42.9178.2-70-63.8-68.300112.9L182 L185 V186 C189 F196 M198 A204L182-M200 HydrophobicContact CD1-CE 3.49Å; L182-M200 VanDerWaalsContact CD1-CE 3.49Å; L185-M200 HydrophobicContact CB-CE 3.3Å; L185-M200 HydrophobicContact CB-SD 3.82Å; L185-M200 HydrophobicContact CD1-CE 3.9Å; L185-M200 HydrophobicContact CG-CE 4.24Å; V186-M200 HydrophobicContact CG2-CE 3.77Å; V186-M200 HydrophobicContact CG2-SD 4.13Å; C189-M200 HydrophobicContact CB-SD 4.29Å; F196-M200 HydrophobicContact CD1-CG 4.14Å; F196-M200 HydrophobicContact CE1-CG 3.71Å; F196-M200 HydrophobicContact CE1-SD 4.26Å; F196-M200 HydrophobicContact CE2-CG 4.24Å; F196-M200 HydrophobicContact CE2-SD 3.99Å; F196-M200 HydrophobicContact CZ-CE 4.42Å; F196-M200 HydrophobicContact CZ-CG 3.77Å; F196-M200 HydrophobicContact CZ-SD 3.69Å; F196-M200 WeakPolarHBondContact O-CG 3.31Å; F196-M200 PolarHBondContact O-N 3.34Å; M198-M200 PolarHBondContact O-N 3.28Å; M200-A204 VanDerWaalsContact O-CB 3.29Å; M200-A204 WeakPolarHBondContact O-CB 3.46Å; M200-A204 PolarHBondContact O-N 2.96Å
201I89Confident84.7Confident0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-73.7-40.5178.4-61.1-62.3000111.3L129 P165 A167 L170 R175 M198 E199 R203 A204 R205L129-I201 HydrophobicContact CD1-CD1 3.48Å; L129-I201 VanDerWaalsContact CD1-CD1 3.48Å; P165-I201 HydrophobicContact CB-CG2 4.12Å; A167-I201 HydrophobicContact CB-CG2 3.77Å; L170-I201 HydrophobicContact CD2-CB 3.79Å; L170-I201 HydrophobicContact CD2-CG1 4.29Å; L170-I201 HydrophobicContact CD2-CG2 3.43Å; L170-I201 VanDerWaalsContact CD2-CG2 3.43Å; R175-I201 VanDerWaalsContact CZ-CG1 3.45Å; M198-I201 PolarHBondContact O-N 3.35Å; M198-I201 VanDerWaalsContact O-N 3.14Å; E199-I201 PolarHBondContact O-N 3.45Å; I201-R203 PolarHBondContact O-N 2.99Å; I201-A204 WeakPolarHBondContact O-CB 3.22Å; I201-A204 PolarHBondContact O-N 2.94Å; I201-R205 PolarHBondContact O-N 3.49Å
202V86.5Confident85.6Confident6 Ų643.6 Ų43.64%0.03621%0.214CC..Hα-helixtrans-60.9-48.3179174.10000110.1L163 M198 E199 A204 R205 Q206 L243L163-V202 HydrophobicContact CB-CG2 4.31Å; L163-V202 HydrophobicContact CD1-CB 4.35Å; L163-V202 HydrophobicContact CD1-CG1 4.07Å; L163-V202 HydrophobicContact CD1-CG2 3.36Å; L163-V202 HydrophobicContact CG-CG2 4.47Å; M198-V202 HydrophobicContact CG-CG2 4.28Å; M198-V202 WeakPolarHBondContact O-CG2 3.14Å; M198-V202 PolarHBondContact O-N 3.47Å; M198-V202 VanDerWaalsContact O-N 3.12Å; E199-V202 PolarHBondContact O-N 2.85Å; V202-A204 VanDerWaalsContact C-N 3.31Å; V202-A204 PolarHBondContact O-N 3.4Å; V202-R205 PolarHBondContact O-N 3.43Å; V202-Q206 WeakPolarHBondContact O-CG 2.93Å; V202-Q206 PolarHBondContact O-N 3.14Å; V202-L243 HydrophobicContact CG2-CD1 4.39Å
203R89.3Confident86.7Confident44 Ų4437.8 Ų37.817%0.16619%0.189CC..Hα-helixtrans-64.2-36.3175.3-72.2-177.6-179.1-94.86.4112.2L185 R188 E199 I201 R205 Q206 L207L185-R203 HydrophobicContact CD2-CB 3.69Å; R188-R203 PolarHBondContact O-NH1 3.21Å; R188-R203 PolarHBondContact O-NH2 2.99Å; E199-R203 HydrophobicContact CG-CG 4.09Å; E199-R203 VanDerWaalsContact CG-NE 3.31Å; E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 WeakPolarHBondContact O-CG 3.36Å; E199-R203 PolarHBondContact O-N 3.26Å; E199-R203 IonicContact OE1-CZ 3.97Å; E199-R203 IonicContact OE1-NE 3.8Å; E199-R203 PolarHBondContact OE1-NE 3.07Å; E199-R203 IonicContact OE1-NH2 2.67Å; E199-R203 PolarHBondContact OE1-NH2 3.35Å; I201-R203 PolarHBondContact O-N 2.99Å; R203-R205 VanDerWaalsContact C-N 3.29Å; R203-R205 PolarHBondContact O-N 2.98Å; R203-Q206 PolarHBondContact O-N 3.46Å; R203-L207 WeakPolarHBondContact O-CB 3.31Å; R203-L207 WeakPolarHBondContact O-CG 3.49Å; R203-L207 PolarHBondContact O-N 3.41Å
204A91Very high88Confident0 Ų036 Ų360%017%0.17CC..Hα-helixtrans-59.6-43.8175.900000111.7L129 L185 M200 I201 V202 L207 N208 Y209L129-A204 HydrophobicContact CD2-CB 3.46Å; L129-A204 VanDerWaalsContact CD2-CB 3.46Å; L185-A204 HydrophobicContact CD1-CB 4Å; L185-A204 HydrophobicContact CD2-CB 4.07Å; M200-A204 VanDerWaalsContact O-CB 3.29Å; M200-A204 WeakPolarHBondContact O-CB 3.46Å; M200-A204 PolarHBondContact O-N 2.96Å; I201-A204 WeakPolarHBondContact O-CB 3.22Å; I201-A204 PolarHBondContact O-N 2.94Å; V202-A204 VanDerWaalsContact C-N 3.31Å; V202-A204 PolarHBondContact O-N 3.4Å; A204-L207 CarbonylContact O-C 3.6Å; A204-L207 PolarHBondContact O-N 2.72Å; A204-N208 PolarHBondContact O-N 3.48Å; A204-Y209 HydrophobicContact CB-CD2 4.3Å; A204-Y209 WeakPolarHBondContact O-CB 3.45Å; A204-Y209 PolarHBondContact O-N 2.79Å
205R87Confident89.2Confident114 Ų11433.4 Ų33.443%0.4317%0.165SC..Hα-helixtrans-64.2-45.7173.3-174.4-172.9-175.298.4-7.3112.7R164 P165 G166 I201 V202 R203 L207 N208R164-R205 WeakPolarHBondContact O-CD 3.27Å; R164-R205 PolarHBondContact O-NE 2.94Å; R164-R205 PolarHBondContact O-NH1 3.46Å; R164-R205 PolarHBondContact O-NH2 3.19Å; P165-R205 WeakPolarHBondContact O-CD 3.3Å; P165-R205 PolarHBondContact O-NH1 2.9Å; P165-R205 VanDerWaalsContact O-NH1 3.11Å; G166-R205 VanDerWaalsContact N-NH1 3.1Å; I201-R205 PolarHBondContact O-N 3.49Å; V202-R205 PolarHBondContact O-N 3.43Å; R203-R205 VanDerWaalsContact C-N 3.29Å; R203-R205 PolarHBondContact O-N 2.98Å; R205-L207 PolarHBondContact O-N 3.29Å; R205-N208 WeakPolarHBondContact O-CA 2.99Å; R205-N208 PolarHBondContact O-N 3.49Å
206Q87.6Confident89.8Confident73 Ų7333.1 Ų33.134%0.34116%0.163SC..Hα-helixtrans-57.7-31.5178.6-72.2174.1-16.600112.4V202 R203 N208 T247V202-Q206 WeakPolarHBondContact O-CG 2.93Å; V202-Q206 PolarHBondContact O-N 3.14Å; R203-Q206 PolarHBondContact O-N 3.46Å; Q206-N208 VanDerWaalsContact C-N 3.3Å; Q206-T247 HydrophobicContact CG-CG2 4.14Å; Q206-T247 PolarHBondContact NE2-OG1 3.09Å
207L90.8Very high89.8Confident50 Ų5034.5 Ų34.526%0.26217%0.173SC..THydrogen-bonded Turntrans-88.97.2176-63174.7000113.4L185 R203 A204 R205 Y209L185-L207 HydrophobicContact CD2-CD1 3.96Å; R203-L207 WeakPolarHBondContact O-CB 3.31Å; R203-L207 WeakPolarHBondContact O-CG 3.49Å; R203-L207 PolarHBondContact O-N 3.41Å; A204-L207 CarbonylContact O-C 3.6Å; A204-L207 PolarHBondContact O-N 2.72Å; R205-L207 PolarHBondContact O-N 3.29Å; L207-Y209 HydrophobicContact CB-CD2 3.83Å; L207-Y209 HydrophobicContact CB-CE2 3.73Å; L207-Y209 HydrophobicContact CD1-CD2 4.35Å; L207-Y209 HydrophobicContact CD1-CE2 3.69Å; L207-Y209 HydrophobicContact CG-CE2 4.38Å; L207-Y209 PolarHBondContact O-N 2.58Å
208N92.3Very high89.5Confident144 Ų14435 Ų3577%0.7718%0.175SC*.THydrogen-bonded Turntrans58.826.8-178.1-56.8-63.8000114.6A204 R205 Q206A204-N208 PolarHBondContact O-N 3.48Å; R205-N208 WeakPolarHBondContact O-CA 2.99Å; R205-N208 PolarHBondContact O-N 3.49Å; Q206-N208 VanDerWaalsContact C-N 3.3Å
209Y95.4Very high89.1Confident61 Ų6137.8 Ų37.824%0.23919%0.192CC..  trans-70.7143.3171.8-68.1-48.7000111.2D128 V181 S184 L185 A204 L207D128-Y209 HydrophobicContact CB-CD1 4.01Å; D128-Y209 HydrophobicContact CB-CG 4.19Å; V181-Y209 HydrophobicContact CG1-CD1 4.38Å; V181-Y209 HydrophobicContact CG1-CD2 3.8Å; V181-Y209 HydrophobicContact CG1-CE2 3.95Å; V181-Y209 HydrophobicContact CG1-CG 4.05Å; V181-Y209 HydrophobicContact CG2-CD1 4.16Å; V181-Y209 HydrophobicContact CG2-CE1 3.98Å; S184-Y209 PolarHBondContact OG-OH 3.01Å; L185-Y209 HydrophobicContact CD2-CD2 4.28Å; L185-Y209 HydrophobicContact CD2-CE2 4.26Å; L185-Y209 HydrophobicContact CG-CD2 4.48Å; L185-Y209 HydrophobicContact CG-CE2 4.32Å; A204-Y209 HydrophobicContact CB-CD2 4.3Å; A204-Y209 WeakPolarHBondContact O-CB 3.45Å; A204-Y209 PolarHBondContact O-N 2.79Å; L207-Y209 HydrophobicContact CB-CD2 3.83Å; L207-Y209 HydrophobicContact CB-CE2 3.73Å; L207-Y209 HydrophobicContact CD1-CD2 4.35Å; L207-Y209 HydrophobicContact CD1-CE2 3.69Å; L207-Y209 HydrophobicContact CG-CE2 4.38Å; L207-Y209 PolarHBondContact O-N 2.58Å
210T95.1Very high88Confident62 Ų6240.4 Ų40.438%0.3821%0.206SC..  trans-82134.6179.2560000111.3Y127 D128 L129Y127-T210 WeakPolarHBondContact CA-OG1 3.4Å; D128-T210 PolarHBondContact N-O 3.2Å; D128-T210 PolarHBondContact N-OG1 3.49Å; D128-T210 PolarHBondContact OD2-N 3.23Å; D128-T210 PolarHBondContact OD2-OG1 3.37Å; L129-T210 PolarHBondContact N-O 3.08Å; L129-T210 VanDerWaalsContact N-O 3.13Å
211V94.6Very high86.8Confident33 Ų3342.6 Ų42.620%0.221%0.214CC..EExtended strand (participates in β ladder)trans-117.8117.6-178.1-172.70000110.4L129 A167L129-V211 HydrophobicContact CD1-CB 4.36Å; L129-V211 HydrophobicContact CD1-CG1 3.7Å; L129-V211 HydrophobicContact CD1-CG2 4.01Å; L129-V211 HydrophobicContact CD2-CG2 3.86Å; L129-V211 HydrophobicContact CG-CB 4.35Å; L129-V211 HydrophobicContact CG-CG1 4.17Å; L129-V211 HydrophobicContact CG-CG2 3.89Å; L129-V211 WeakPolarHBondContact O-CA 3.18Å; A167-V211 HydrophobicContact CB-CG1 4.29Å
212G94.4Very high85.4Confident1 Ų146.3 Ų46.31%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-92.3152.5166.600000110.9Y127 L129 V130 S131Y127-G212 VanDerWaalsContact CD1-N 3.33Å; L129-G212 PolarHBondContact O-N 2.98Å; V130-G212 CarbonylContact C-O 3.49Å; V130-G212 VanDerWaalsContact CA-O 3.27Å; V130-G212 WeakPolarHBondContact CA-O 3.29Å; S131-G212 PolarHBondContact N-O 3.41Å
213E94.3Very high83.6Confident42 Ų4251.3 Ų51.320%0.19626%0.256CS..EExtended strand (participates in β ladder)trans-125.3138.5176.7-62.4-167.298.600111.5S131 T133 L136 S168S131-E213 WeakPolarHBondContact O-CA 3.32Å; T133-E213 HydrophobicContact CG2-CB 3.97Å; L136-E213 HydrophobicContact CD1-CB 4.33Å; L136-E213 WeakPolarHBondContact CD1-OE2 3.32Å; S168-E213 WeakPolarHBondContact CA-OE1 3.38Å; S168-E213 WeakPolarHBondContact CB-OE1 3.4Å; S168-E213 WeakPolarHBondContact CB-OE2 3.46Å; S168-E213 VanDerWaalsContact N-CD 3.32Å; S168-E213 PolarHBondContact N-OE1 2.93Å; S168-E213 PolarHBondContact N-OE2 2.67Å; S168-E213 VanDerWaalsContact N-OE2 3.15Å; S168-E213 PolarHBondContact OG-OE1 2.88Å; S168-E213 PolarHBondContact OG-OE2 3.06Å
214V94Very high81.9Confident6 Ų652 Ų524%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-120.3121.6173.6173.60000108.7Q117 F118 K121 V130 S131 G132 T133 I216Q117-V214 HydrophobicContact CB-CG1 3.96Å; F118-V214 HydrophobicContact CD2-CB 3.8Å; F118-V214 HydrophobicContact CD2-CG1 3.84Å; F118-V214 HydrophobicContact CD2-CG2 3.95Å; F118-V214 HydrophobicContact CE2-CB 3.7Å; F118-V214 HydrophobicContact CE2-CG1 3.77Å; F118-V214 HydrophobicContact CE2-CG2 4.35Å; F118-V214 HydrophobicContact CG-CG2 4.39Å; F118-V214 HydrophobicContact CZ-CB 4.41Å; K121-V214 HydrophobicContact CB-CG2 3.7Å; K121-V214 HydrophobicContact CG-CG2 3.97Å; V130-V214 HydrophobicContact CG1-CG2 3.73Å; S131-V214 PolarHBondContact O-N 3.17Å; G132-V214 WeakPolarHBondContact CA-O 3.28Å; T133-V214 PolarHBondContact N-O 3.37Å; V214-I216 HydrophobicContact CG1-CG2 4.37Å; V214-I216 PolarHBondContact O-N 3.04Å
215P91.1Very high79.9Confident40 Ų4060.2 Ų60.226%0.2632%0.315SS..EExtended strand (participates in β ladder)trans-59123.1172.4-25.536000111.4T133 L136T133-P215 WeakPolarHBondContact O-CA 3.4Å; L136-P215 WeakPolarHBondContact O-CB 3.39Å
216I88Confident78.3Confident4 Ų457.7 Ų57.72%0.02132%0.315CS..  trans-122.1151.9177.363.3166.9000111.7F114 F118 T133 R134 G139 G140 F174 V214F114-I216 HydrophobicContact CB-CG2 4.01Å; F114-I216 HydrophobicContact CD1-CG2 4.04Å; F114-I216 HydrophobicContact CD2-CB 4.05Å; F114-I216 HydrophobicContact CD2-CG2 3.84Å; F114-I216 HydrophobicContact CE1-CG2 4.47Å; F114-I216 HydrophobicContact CE2-CB 4.01Å; F114-I216 HydrophobicContact CE2-CG2 4.29Å; F114-I216 HydrophobicContact CG-CB 4.34Å; F114-I216 HydrophobicContact CG-CG2 3.71Å; F114-I216 HydrophobicContact CZ-CB 4.26Å; F118-I216 HydrophobicContact CE2-CG2 3.7Å; F118-I216 HydrophobicContact CZ-CG2 4.06Å; T133-I216 PolarHBondContact O-N 2.93Å; R134-I216 HydrophobicContact CG-CG1 4.47Å; G139-I216 WeakPolarHBondContact CA-O 3.37Å; G140-I216 PolarHBondContact N-O 3.41Å; F174-I216 HydrophobicContact CB-CD1 4.49Å; F174-I216 HydrophobicContact CD1-CD1 4.17Å; V214-I216 HydrophobicContact CG1-CG2 4.37Å; V214-I216 PolarHBondContact O-N 3.04Å
217S84.1Confident76.6Confident32 Ų3259.4 Ų59.422%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-91.5121.4166.3-47.80000108.6F114 G140F114-S217 VanDerWaalsContact CZ-N 3.28Å; G140-S217 WeakPolarHBondContact O-CA 2.85Å
218F77.4Confident74.8Confident18 Ų1860.9 Ų60.98%0.07933%0.329CS..EExtended strand (participates in β ladder)trans-102.1125.7174.2-169-81.3000109S109 H110 R134 G140 V141 Y142 W144S109-F218 VanDerWaalsContact CB-CZ 3.45Å; H110-F218 AromaticContact CE1-CE2 3.96Å; H110-F218 AromaticContact NE2-CD2 3.77Å; H110-F218 AromaticContact NE2-CE2 3.43Å; H110-F218 WeakPolarHBondContact NE2-CE2 3.47Å; R134-F218 HydrophobicContact CG-CB 3.77Å; G140-F218 PolarHBondContact O-N 3.14Å; V141-F218 WeakPolarHBondContact CA-O 3.31Å; V141-F218 HydrophobicContact CG1-CB 4.47Å; V141-F218 HydrophobicContact CG1-CD1 4.17Å; V141-F218 HydrophobicContact CG2-CB 4.44Å; Y142-F218 PolarHBondContact N-O 2.59Å; W144-F218 AromaticContact CZ2-CD1 4Å; W144-F218 HydrophobicContact CZ2-CD1 4Å; W144-F218 AromaticContact CZ2-CE1 3.74Å; W144-F218 HydrophobicContact CZ2-CE1 3.74Å; W144-F218 AromaticContact NE1-CE1 3.89Å
219V73.3Confident73.1Confident60 Ų6055.8 Ų55.836%0.36431%0.31SS..EExtended strand (participates in β ladder)trans-108.7152.8175.7-65.60000109S109S109-V219 WeakPolarHBondContact CB-O 3.3Å
220D63.2Low71.2Confident58 Ų5855.3 Ų55.331%0.3132%0.324SS..  trans-64.8152.8171.6-136.2-5.9000110.3Y142 R148 V222Y142-D220 PolarHBondContact O-N 3.12Å; R148-D220 IonicContact CZ-OD1 3.02Å; R148-D220 VanDerWaalsContact NH1-CG 3.3Å; R148-D220 IonicContact NH1-OD1 2.77Å; R148-D220 PolarHBondContact NH1-OD1 2.72Å; R148-D220 IonicContact NH1-OD2 2.74Å; R148-D220 PolarHBondContact NH1-OD2 2.76Å; R148-D220 IonicContact NH2-OD1 3.32Å; R148-D220 PolarHBondContact NH2-OD1 2.71Å; D220-V222 PolarHBondContact O-N 2.96Å
221R65.1Low69.5Low47 Ų4759 Ų5918%0.17734%0.341CS..  trans-53.2138.1-17962.3-178.8-62171.812.6110.8D107 Y223 G224 E225D107-R221 HydrophobicContact CB-CB 4.13Å; R221-Y223 PolarHBondContact NE-O 2.51Å; R221-Y223 PolarHBondContact NH2-O 3.01Å; R221-G224 WeakPolarHBondContact CD-O 3.36Å; R221-G224 VanDerWaalsContact CZ-CA 3.42Å; R221-G224 PolarHBondContact NE-O 3.37Å; R221-G224 VanDerWaalsContact NE-O 3.15Å; R221-E225 PolarHBondContact NH1-O 2.87Å
222V59.9Low68.1Low77 Ų7759.9 Ų59.947%0.46734%0.343SS..SBendtrans-74.4-41.1-177-177.70000111.1L108 D220L108-V222 HydrophobicContact CB-CG2 3.91Å; L108-V222 HydrophobicContact CD1-CB 4.07Å; L108-V222 HydrophobicContact CD1-CG2 3.78Å; D220-V222 PolarHBondContact O-N 2.96Å
223Y48.2Very low66.7Low111 Ų11163.5 Ų63.544%0.43536%0.361SS..SBendtrans-127.8138177.7-62.3-78.3000111.3E25 N26 L29 R221E25-Y223 HydrophobicContact CB-CD2 4.26Å; E25-Y223 HydrophobicContact CB-CG 4.34Å; N26-Y223 WeakPolarHBondContact OD1-CD2 3.42Å; L29-Y223 HydrophobicContact CD1-CE2 4.29Å; R221-Y223 PolarHBondContact NE-O 2.51Å; R221-Y223 PolarHBondContact NH2-O 3.01Å
224G52.1Low65.5Low58 Ų5865.1 Ų65.160%0.59837%0.374SS*.SBendtrans96.2176.6174.200000116.7R221R221-G224 WeakPolarHBondContact CD-O 3.36Å; R221-G224 VanDerWaalsContact CZ-CA 3.42Å; R221-G224 PolarHBondContact NE-O 3.37Å; R221-G224 VanDerWaalsContact NE-O 3.15Å
225E50Low64.3Low173 Ų17368 Ų6881%0.80839%0.394SS*.  trans-93.1140.1-172.9-64.6-167161.700114.9R221 K227R221-E225 PolarHBondContact NH1-O 2.87Å; E225-K227 PolarHBondContact O-N 3.36Å
226S53.3Low63.4Low62 Ų6267 Ų6743%0.43439%0.386SS..  trans-66131.7176.7-176.70000111.7L228S226-L228 VanDerWaalsContact C-N 3.33Å
227K52.7Low62.6Low108 Ų10869.6 Ų69.647%0.4740%0.402SS..  trans-82.6-7.2-178.9-66.2175.1-177.4147.60113.9E225 G229E225-K227 PolarHBondContact O-N 3.36Å; K227-G229 PolarHBondContact O-N 2.83Å
228L52.7Low62.2Low82 Ų8274.8 Ų74.843%0.42942%0.421SS..  trans-65.487.8-176.1-86.1160.5000113.5Y194 S226 E232Y194-L228 HydrophobicContact CE1-CD2 4.18Å; Y194-L228 HydrophobicContact CE1-CG 4.43Å; S226-L228 VanDerWaalsContact C-N 3.33Å; L228-E232 WeakPolarHBondContact CA-OE2 3.38Å
229G56Low62.1Low36 Ų3674.4 Ų74.437%0.37142%0.422SS..  trans-107.7169.1175.100000114.1K227 N231 E232K227-G229 PolarHBondContact O-N 2.83Å; G229-N231 VanDerWaalsContact C-N 3.3Å; G229-N231 PolarHBondContact O-N 2.89Å; G229-E232 WeakPolarHBondContact O-CB 3.36Å; G229-E232 PolarHBondContact O-N 3.23Å; G229-E232 VanDerWaalsContact O-N 3.09Å
230G55.3Low62.2Low52 Ų5271.6 Ų71.654%0.53641%0.405SS..Hα-helixtrans-60.3-32.3-178.500000114.8E232 I233 V234G230-E232 VanDerWaalsContact C-N 3.26Å; G230-E232 PolarHBondContact O-N 3.37Å; G230-I233 WeakPolarHBondContact O-CB 3.29Å; G230-I233 PolarHBondContact O-N 2.88Å; G230-V234 PolarHBondContact O-N 2.91Å
231N60.1Low63Low139 Ų13973.6 Ų73.674%0.74342%0.415SS*.Hα-helixtrans-65.4-28.3176.3-75.3-17.8000113.2G229 S235G229-N231 VanDerWaalsContact C-N 3.3Å; G229-N231 PolarHBondContact O-N 2.89Å; N231-S235 WeakPolarHBondContact O-CB 3.33Å; N231-S235 PolarHBondContact O-N 3.24Å; N231-S235 VanDerWaalsContact O-N 3.09Å; N231-S235 PolarHBondContact O-OG 3.41Å
232E64.3Low63.6Low51 Ų5175.5 Ų75.524%0.23843%0.432CS..Hα-helixtrans-73.1-34.1176.8-59-173.7151.100111.3Y194 L228 G229 G230 S235 F236Y194-E232 HydrophobicContact CD2-CB 4.21Å; Y194-E232 HydrophobicContact CD2-CG 4.27Å; Y194-E232 HydrophobicContact CE2-CG 4.33Å; Y194-E232 VanDerWaalsContact CE2-OE1 3.27Å; Y194-E232 WeakPolarHBondContact CE2-OE1 3.34Å; Y194-E232 WeakPolarHBondContact CE2-OE2 3.33Å; L228-E232 WeakPolarHBondContact CA-OE2 3.38Å; G229-E232 WeakPolarHBondContact O-CB 3.36Å; G229-E232 PolarHBondContact O-N 3.23Å; G229-E232 VanDerWaalsContact O-N 3.09Å; G230-E232 VanDerWaalsContact C-N 3.26Å; G230-E232 PolarHBondContact O-N 3.37Å; E232-S235 PolarHBondContact O-N 3.27Å; E232-F236 WeakPolarHBondContact O-CB 3.43Å; E232-F236 PolarHBondContact O-N 2.97Å
233I66.6Low64.3Low77 Ų7772.1 Ų72.140%0.39541%0.411SS..Hα-helixtrans-64.3-46.1174.7-58.5175.7000110.6I151 G230 S235 F236 V237I151-I233 HydrophobicContact CG2-CD1 4.22Å; G230-I233 WeakPolarHBondContact O-CB 3.29Å; G230-I233 PolarHBondContact O-N 2.88Å; I233-S235 VanDerWaalsContact C-N 3.31Å; I233-S235 PolarHBondContact O-N 3.03Å; I233-F236 WeakPolarHBondContact O-CB 3.35Å; I233-F236 PolarHBondContact O-N 3.16Å; I233-V237 WeakPolarHBondContact O-CG2 3.38Å; I233-V237 PolarHBondContact O-N 2.89Å
234V68.2Low65.4Low76 Ų7672 Ų7246%0.46141%0.413SS..Hα-helixtrans-62.7-41.8177.1177.10000110.9G230 F236 V237 K238G230-V234 PolarHBondContact O-N 2.91Å; V234-F236 VanDerWaalsContact C-N 3.32Å; V234-F236 PolarHBondContact O-N 3.38Å; V234-V237 PolarHBondContact O-N 3.43Å; V234-K238 HydrophobicContact CG1-CD 4.37Å; V234-K238 WeakPolarHBondContact O-CG 3.46Å; V234-K238 PolarHBondContact O-N 3.47Å
235S68.1Low66.4Low66 Ų6673 Ų7346%0.46242%0.416SS..Hα-helixtrans-64-39.3177.2-58.20000111.5V195 N231 E232 I233 K238 G239V195-S235 VanDerWaalsContact CG2-O 3.29Å; V195-S235 WeakPolarHBondContact CG2-O 3.42Å; N231-S235 WeakPolarHBondContact O-CB 3.33Å; N231-S235 PolarHBondContact O-N 3.24Å; N231-S235 VanDerWaalsContact O-N 3.09Å; N231-S235 PolarHBondContact O-OG 3.41Å; E232-S235 PolarHBondContact O-N 3.27Å; I233-S235 VanDerWaalsContact C-N 3.31Å; I233-S235 PolarHBondContact O-N 3.03Å; S235-K238 PolarHBondContact O-N 3.41Å; S235-G239 PolarHBondContact O-N 3.42Å
236F71.9Confident67.3Low19 Ų1969.3 Ų69.38%0.08341%0.405CS..Hα-helixtrans-58.7-50.9173.6-175.9-90.9000112A155 T159 T171 M198 E232 I233 V234 K238 G239 L240A155-F236 HydrophobicContact CB-CD1 4.3Å; A155-F236 HydrophobicContact CB-CE1 3.7Å; A155-F236 HydrophobicContact CB-CZ 4.03Å; T159-F236 WeakPolarHBondContact OG1-CZ 3.37Å; T171-F236 HydrophobicContact CG2-CE2 3.87Å; T171-F236 HydrophobicContact CG2-CZ 4.27Å; M198-F236 HydrophobicContact CB-CE2 4.35Å; M198-F236 HydrophobicContact CE-CE2 4.3Å; M198-F236 HydrophobicContact SD-CD2 4.41Å; M198-F236 HydrophobicContact SD-CE1 4.31Å; M198-F236 HydrophobicContact SD-CE2 3.59Å; M198-F236 VanDerWaalsContact SD-CE2 3.59Å; M198-F236 HydrophobicContact SD-CZ 3.54Å; M198-F236 VanDerWaalsContact SD-CZ 3.54Å; E232-F236 WeakPolarHBondContact O-CB 3.43Å; E232-F236 PolarHBondContact O-N 2.97Å; I233-F236 WeakPolarHBondContact O-CB 3.35Å; I233-F236 PolarHBondContact O-N 3.16Å; V234-F236 VanDerWaalsContact C-N 3.32Å; V234-F236 PolarHBondContact O-N 3.38Å; F236-K238 PolarHBondContact O-N 2.91Å; F236-G239 PolarHBondContact O-N 2.91Å; F236-L240 WeakPolarHBondContact O-CB 3.44Å; F236-L240 PolarHBondContact O-N 3.22Å
237V72.9Confident67.6Low60 Ų6071.7 Ų71.736%0.36442%0.417SS..Hα-helixtrans-64-42.3179.9175.90000111.7I233 V234 L240 L241I233-V237 WeakPolarHBondContact O-CG2 3.38Å; I233-V237 PolarHBondContact O-N 2.89Å; V234-V237 PolarHBondContact O-N 3.43Å; V237-L240 WeakPolarHBondContact O-CB 3.4Å; V237-L240 PolarHBondContact O-N 2.99Å; V237-L241 HydrophobicContact CG1-CD1 4.29Å; V237-L241 WeakPolarHBondContact O-CG 3.4Å; V237-L241 PolarHBondContact O-N 3.31Å
238K75.9Confident68.4Low140 Ų14069.9 Ų69.961%0.60941%0.414SS*.Hα-helixtrans-60.9-47.4175.1-75.2-178.4177.5-178.10111.6V234 S235 F236 L240 L241 T242V234-K238 HydrophobicContact CG1-CD 4.37Å; V234-K238 WeakPolarHBondContact O-CG 3.46Å; V234-K238 PolarHBondContact O-N 3.47Å; S235-K238 PolarHBondContact O-N 3.41Å; F236-K238 PolarHBondContact O-N 2.91Å; K238-L240 VanDerWaalsContact C-N 3.28Å; K238-L240 PolarHBondContact O-N 3.39Å; K238-L241 PolarHBondContact O-N 2.87Å; K238-T242 PolarHBondContact O-N 3.32Å; K238-T242 PolarHBondContact O-OG1 3.03Å; K238-T242 VanDerWaalsContact O-OG1 3.09Å
239G75.4Confident69.2Low10 Ų1069.2 Ų69.210%0.10341%0.414CS..Hα-helixtrans-59.7-39.9176.700000112.6S235 F236 T242 L243S235-G239 PolarHBondContact O-N 3.42Å; F236-G239 PolarHBondContact O-N 2.91Å; G239-T242 PolarHBondContact O-N 2.93Å; G239-L243 WeakPolarHBondContact O-CB 3.41Å; G239-L243 VanDerWaalsContact O-CG 3.32Å; G239-L243 WeakPolarHBondContact O-CG 3.46Å; G239-L243 PolarHBondContact O-N 3.09Å
240L75.4Confident69.9Low1 Ų171.1 Ų71.11%0.00542%0.416CS..Hα-helixtrans-60-48.1174.4-177.966.5000112.3L158 T159 L162 L163 M198 F236 V237 K238 L243 F244L158-L240 HydrophobicContact CB-CD2 4.48Å; L158-L240 HydrophobicContact CD2-CD2 3.56Å; L158-L240 HydrophobicContact CG-CD2 3.76Å; T159-L240 HydrophobicContact CG2-CD1 3.63Å; L162-L240 HydrophobicContact CD1-CD2 3.83Å; L162-L240 HydrophobicContact CD1-CG 4.13Å; L163-L240 HydrophobicContact CD1-CD1 3.63Å; L163-L240 HydrophobicContact CG-CD1 3.86Å; M198-L240 HydrophobicContact CE-CB 4.07Å; M198-L240 HydrophobicContact CE-CD1 4.3Å; M198-L240 HydrophobicContact SD-CD1 3.88Å; F236-L240 WeakPolarHBondContact O-CB 3.44Å; F236-L240 PolarHBondContact O-N 3.22Å; V237-L240 WeakPolarHBondContact O-CB 3.4Å; V237-L240 PolarHBondContact O-N 2.99Å; K238-L240 VanDerWaalsContact C-N 3.28Å; K238-L240 PolarHBondContact O-N 3.39Å; L240-L243 PolarHBondContact O-N 3.5Å; L240-F244 WeakPolarHBondContact O-CB 3.47Å; L240-F244 PolarHBondContact O-N 2.98Å
241L78.1Confident70.8Confident101 Ų10172.2 Ų72.253%0.52941%0.409SS..Hα-helixtrans-65.6-39.9178.2-69.5172.9000112.1V237 K238 F244 A245V237-L241 HydrophobicContact CG1-CD1 4.29Å; V237-L241 WeakPolarHBondContact O-CG 3.4Å; V237-L241 PolarHBondContact O-N 3.31Å; K238-L241 PolarHBondContact O-N 2.87Å; L241-F244 PolarHBondContact O-N 3.36Å; L241-A245 WeakPolarHBondContact O-CB 3.37Å; L241-A245 PolarHBondContact O-N 3.48Å
242T78.4Confident71.4Confident87 Ų8768 Ų6853%0.53439%0.388SS..Hα-helixtrans-61.9-48.8175-59.10000110.9K238 G239 F244 A245 T246K238-T242 PolarHBondContact O-N 3.32Å; K238-T242 PolarHBondContact O-OG1 3.03Å; K238-T242 VanDerWaalsContact O-OG1 3.09Å; G239-T242 PolarHBondContact O-N 2.93Å; T242-F244 VanDerWaalsContact C-N 3.31Å; T242-F244 PolarHBondContact O-N 3.01Å; T242-A245 PolarHBondContact O-N 3.24Å; T242-A245 VanDerWaalsContact O-N 3.16Å; T242-T246 WeakPolarHBondContact O-CG2 3.48Å; T242-T246 PolarHBondContact O-N 3.45Å; T242-T246 PolarHBondContact O-OG1 3.27Å
243L73.9Confident71.9Confident6 Ų669.1 Ų69.13%0.03140%0.398CS..Hα-helixtrans-61.5-41.2177-71.7172000111.5L163 M198 E199 V202 G239 L240 A245 T246 T247L163-L243 HydrophobicContact CD1-CB 4.15Å; L163-L243 HydrophobicContact CD1-CD1 4.43Å; M198-L243 HydrophobicContact CE-CD1 3.71Å; E199-L243 HydrophobicContact CB-CD1 3.96Å; E199-L243 HydrophobicContact CB-CD2 4.35Å; E199-L243 HydrophobicContact CG-CD1 4.41Å; E199-L243 HydrophobicContact CG-CD2 3.87Å; V202-L243 HydrophobicContact CG2-CD1 4.39Å; G239-L243 WeakPolarHBondContact O-CB 3.41Å; G239-L243 VanDerWaalsContact O-CG 3.32Å; G239-L243 WeakPolarHBondContact O-CG 3.46Å; G239-L243 PolarHBondContact O-N 3.09Å; L240-L243 PolarHBondContact O-N 3.5Å; L243-A245 VanDerWaalsContact C-N 3.29Å; L243-A245 PolarHBondContact O-N 2.85Å; L243-T246 CarbonylContact O-C 3.59Å; L243-T246 PolarHBondContact O-N 3.09Å; L243-T246 PolarHBondContact O-OG1 3.5Å; L243-T247 WeakPolarHBondContact O-CB 3.45Å; L243-T247 PolarHBondContact O-N 3.36Å; L243-T247 PolarHBondContact O-OG1 2.81Å
244F72.2Confident72.3Confident109 Ų10968.6 Ų68.648%0.47840%0.398SS..Hα-helixtrans-60.3-39.5175.5-179.9-98.8000112.3L162 L163 L240 L241 T242 T246L162-F244 HydrophobicContact CB-CD2 4.25Å; L162-F244 HydrophobicContact CD2-CE2 4.48Å; L163-F244 HydrophobicContact CD2-CB 3.87Å; L163-F244 HydrophobicContact CD2-CD2 4.14Å; L240-F244 WeakPolarHBondContact O-CB 3.47Å; L240-F244 PolarHBondContact O-N 2.98Å; L241-F244 PolarHBondContact O-N 3.36Å; T242-F244 VanDerWaalsContact C-N 3.31Å; T242-F244 PolarHBondContact O-N 3.01Å; F244-T246 VanDerWaalsContact C-N 3.34Å
245A72.3Confident72.6Confident79 Ų7968 Ų6865%0.65339%0.393SS*.Hα-helixtrans-75.9-19.9179.100000113.9L241 T242 L243L241-A245 WeakPolarHBondContact O-CB 3.37Å; L241-A245 PolarHBondContact O-N 3.48Å; T242-A245 PolarHBondContact O-N 3.24Å; T242-A245 VanDerWaalsContact O-N 3.16Å; L243-A245 VanDerWaalsContact C-N 3.29Å; L243-A245 PolarHBondContact O-N 2.85Å
246T69.3Low73Confident95 Ų9568.2 Ų68.258%0.58339%0.388SS*.Hα-helixtrans-108.92.7-179.362.10000113.9T242 L243 F244T242-T246 WeakPolarHBondContact O-CG2 3.48Å; T242-T246 PolarHBondContact O-N 3.45Å; T242-T246 PolarHBondContact O-OG1 3.27Å; L243-T246 CarbonylContact O-C 3.59Å; L243-T246 PolarHBondContact O-N 3.09Å; L243-T246 PolarHBondContact O-OG1 3.5Å; F244-T246 VanDerWaalsContact C-N 3.34Å
247T60.3Low73.1Confident111 Ų11172.6 Ų72.668%0.68142%0.415SS*.  trans-92.20168.9-55.40000109.2Q206 L243Q206-T247 HydrophobicContact CG-CG2 4.14Å; Q206-T247 PolarHBondContact NE2-OG1 3.09Å; L243-T247 WeakPolarHBondContact O-CB 3.45Å; L243-T247 PolarHBondContact O-N 3.36Å; L243-T247 PolarHBondContact O-OG1 2.81Å

Retrieved 247 of 247 residues in 109.2 ms (Link to these results)

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