A0A077ZL09_TRITR Loading...

Reverse transcriptase

AlphaFold DB , UniProt , Accession A0A077ZL09, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 261 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M46.4Very low48.7Very low234 Ų234159.7 Ų159.7100%1.15386%0.862SS**  0101.50-51.5173.9-174.400103.3
2E46.4Very low47.9Very low191 Ų191158 Ų15889%0.89385%0.852SS**  cis-141.9129.833.5-68.8139.2126.500109.2
3S53.6Low48Very low119 Ų119155.8 Ų155.883%0.83285%0.851SS**  trans-93.4117.3-179.6-59.30000109.8S5S3-S5 PolarHBondContact O-N 3.45Å
4T45.4Very low47.3Very low147 Ų147157.9 Ų157.990%0.90285%0.852SS**  trans-58.4119.7166.245.10000111
5S53.6Low47.1Very low116 Ų116162.7 Ų162.781%0.81185%0.853SS**  trans-121.7120166.947.90000110.6S3S3-S5 PolarHBondContact O-N 3.45Å
6N49.1Very low47.6Very low163 Ų163160 Ų16087%0.87285%0.845SS**  trans-60.5138.6-177.3-102.6-45.8000112.7
7V48.5Very low47Very low124 Ų124156.2 Ų156.275%0.75284%0.842SS**  trans-56128.8167.4176.20000110.3
8T48.5Very low46.6Very low129 Ų129151.4 Ų151.479%0.79184%0.835SS**  trans-115112.4157.5-510000106.9Q10T8-Q10 PolarHBondContact O-N 3.02Å
9P46.5Very low46.3Very low106 Ų106146.5 Ų146.569%0.68882%0.823SS**  trans-69.7126.6176.95.96000108.8R11P9-R11 PolarHBondContact O-N 2.78Å
10Q49.2Very low46.4Very low187 Ų187148.3 Ų148.387%0.87483%0.83SS**  trans-56.4131.9168.7-87.5174.4-104.400109.4T8 D12T8-Q10 PolarHBondContact O-N 3.02Å; Q10-D12 PolarHBondContact O-N 2.96Å; Q10-D12 VanDerWaalsContact O-N 3.17Å
11R48.7Very low46.6Very low241 Ų241144.6 Ų144.691%0.90983%0.826SS**  trans-54.2113.1177.7-68.1173.5174.1-179.6-2.3111P9P9-R11 PolarHBondContact O-N 2.78Å
12D39.5Very low47.1Very low139 Ų139136.5 Ų136.574%0.74380%0.796SS**  trans-57.3130.6159.6-72.8-60.5000110.3Q10 E14Q10-D12 PolarHBondContact O-N 2.96Å; Q10-D12 VanDerWaalsContact O-N 3.17Å; D12-E14 PolarHBondContact O-N 3.34Å; D12-E14 VanDerWaalsContact O-N 3.14Å
13P48.4Very low48.3Very low129 Ų129133.8 Ų133.884%0.83879%0.788SS**  trans-85.36116836.6-31.3000109.4
14E39.1Very low49.7Very low185 Ų185132 Ų13286%0.86477%0.765SS**  trans-108.687.2164.5-78.6-161.612600109.1D12D12-E14 PolarHBondContact O-N 3.34Å; D12-E14 VanDerWaalsContact O-N 3.14Å
15R44.2Very low51.6Low231 Ų231125.8 Ų125.887%0.87273%0.727SS**  trans-133.190.8161.6-160.2170-165.7128.71110.3
16T54.9Low53.3Low119 Ų119122.6 Ų122.673%0.7371%0.708SS**  trans80.589.7146-36.90000116.8G18T16-G18 PolarHBondContact O-N 3.32Å
17A36.4Very low55.1Low96 Ų96115.1 Ų115.179%0.79367%0.669SS**  trans5.999.7130.600000115.8
18G41.3Very low57.1Low69 Ų69112 Ų11271%0.71166%0.656SS**  trans-93.189150.700000106.8T16 D20T16-G18 PolarHBondContact O-N 3.32Å; G18-D20 PolarHBondContact O-N 3.11Å
19G40.1Very low59Low59 Ų59108.3 Ų108.361%0.60863%0.628SS**  trans-55.812818000000111.1G21G19-G21 PolarHBondContact O-N 2.74Å
20D48.3Very low60.9Low181 Ų181106.4 Ų106.497%0.96862%0.615SS**THydrogen-bonded Turntrans-68.345.3174.3-68-51.5000112.6G18G18-D20 PolarHBondContact O-N 3.11Å
21G50.4Low62.4Low72 Ų7299 Ų9974%0.74259%0.59SS**THydrogen-bonded Turntrans-162.113-175.200000116.2G19G19-G21 PolarHBondContact O-N 2.74Å
22A57.4Low64.2Low64 Ų6491.5 Ų91.553%0.52957%0.572SS.*  trans-80.4120.2173.200000110.6F24A22-F24 WeakPolarHBondContact O-CD1 3.39Å; A22-F24 PolarHBondContact O-N 2.98Å
23D72.3Confident66.6Low134 Ų13485.2 Ų85.272%0.71754%0.538SS*.  trans-57.995.2170.9-87.6-27.2000110.4
24F82.4Confident68.6Low81 Ų8187.3 Ų87.336%0.35553%0.529SS..EExtended strand (participates in β ladder)trans-95.5149.9173.665.1-93.7000111.1A22 D58 R60 L69A22-F24 WeakPolarHBondContact O-CD1 3.39Å; A22-F24 PolarHBondContact O-N 2.98Å; F24-D58 CarbonylContact C-O 3.59Å; F24-D58 WeakPolarHBondContact CA-O 3.26Å; F24-D58 HydrophobicContact CB-CB 4.28Å; F24-R60 HydrophobicContact CB-CG 4.26Å; F24-R60 HydrophobicContact CD2-CB 3.98Å; F24-R60 HydrophobicContact CD2-CG 3.89Å; F24-R60 HydrophobicContact CE2-CB 4.43Å; F24-R60 HydrophobicContact CE2-CG 4.49Å; F24-R60 HydrophobicContact CG-CG 4.08Å; F24-L69 HydrophobicContact CE2-CD1 4.46Å; F24-L69 HydrophobicContact CE2-CD2 4.43Å
25V85.3Confident70.9Confident16 Ų1679 Ų7910%0.09749%0.492CS..EExtended strand (participates in β ladder)trans-97.8125.1170.6172.60000108.9P36 M52 K57 D58 V59 R60V25-P36 HydrophobicContact CB-CG 4.3Å; V25-P36 HydrophobicContact CG1-CG 3.6Å; V25-P36 HydrophobicContact CG2-CG 3.67Å; V25-M52 HydrophobicContact CB-CE 3.86Å; V25-M52 HydrophobicContact CG1-CE 4.18Å; V25-M52 HydrophobicContact CG2-CE 3.53Å; V25-K57 HydrophobicContact CG2-CB 4.16Å; V25-K57 HydrophobicContact CG2-CD 3.57Å; V25-D58 PolarHBondContact N-O 3.33Å; V25-V59 WeakPolarHBondContact O-CA 3.27Å; V25-R60 PolarHBondContact O-N 3.28Å
26A88.8Confident72.8Confident50 Ų5072.1 Ų72.141%0.41348%0.477SS..EExtended strand (participates in β ladder)trans-86123173.400000110.1R60 L62 L69A26-R60 CarbonylContact C-O 3.46Å; A26-R60 VanDerWaalsContact CA-O 3.31Å; A26-R60 WeakPolarHBondContact CA-O 3.45Å; A26-L62 HydrophobicContact CB-CD1 3.62Å; A26-L62 HydrophobicContact CB-CG 4.07Å; A26-L69 HydrophobicContact CB-CD2 4.19Å
27A88Confident74.3Confident6 Ų670.2 Ų70.25%0.0546%0.462CS..EExtended strand (participates in β ladder)trans-118.8129.6178.300000110.9F33 F48 V59 R60 F61 L62A27-F33 HydrophobicContact CB-CD1 4.01Å; A27-F48 HydrophobicContact CB-CD1 4.44Å; A27-F48 HydrophobicContact CB-CE1 3.53Å; A27-F48 HydrophobicContact CB-CZ 3.99Å; A27-V59 HydrophobicContact CB-CG1 4.19Å; A27-R60 PolarHBondContact N-O 2.91Å; A27-F61 HydrophobicContact CB-CD1 4.5Å; A27-F61 CarbonylContact O-C 3.55Å; A27-F61 VanDerWaalsContact O-CA 3.29Å; A27-F61 WeakPolarHBondContact O-CA 3.31Å; A27-L62 PolarHBondContact O-N 2.9Å
28A89.7Confident76.8Confident59 Ų5967.7 Ų67.749%0.48844%0.438SS..EExtended strand (participates in β ladder)trans-71.2137.8-179.900000111.7F33A28-F33 VanDerWaalsContact O-CE1 3.27Å; A28-F33 WeakPolarHBondContact O-CE1 3.48Å
29Y88.5Confident78.9Confident51 Ų5171.3 Ų71.320%0.245%0.446CS..EExtended strand (participates in β ladder)trans-117134.5175.2-179.5-84.8000110F33 L62 G64 I73 V76 A77 Y80Y29-F33 HydrophobicContact CD2-CE1 4.46Å; Y29-F33 HydrophobicContact CD2-CZ 4.12Å; Y29-L62 PolarHBondContact N-O 3.36Å; Y29-G64 PolarHBondContact O-N 3.15Å; Y29-I73 HydrophobicContact CD2-CD1 4.22Å; Y29-I73 HydrophobicContact CD2-CG1 4.31Å; Y29-I73 HydrophobicContact CE2-CD1 3.94Å; Y29-I73 HydrophobicContact CE2-CG1 4.08Å; Y29-V76 HydrophobicContact CD1-CG1 4.11Å; Y29-V76 HydrophobicContact CD1-CG2 4.04Å; Y29-V76 HydrophobicContact CD2-CG1 3.8Å; Y29-V76 HydrophobicContact CE2-CG1 4.39Å; Y29-V76 HydrophobicContact CG-CB 4.5Å; Y29-V76 HydrophobicContact CG-CG1 3.65Å; Y29-V76 HydrophobicContact CG-CG2 4.04Å; Y29-A77 HydrophobicContact CE1-CB 4.29Å; Y29-A77 HydrophobicContact CE2-CB 4.33Å; Y29-A77 WeakPolarHBondContact OH-CB 3.47Å; Y29-Y80 HydrophobicContact CD1-CD1 4.42Å; Y29-Y80 HydrophobicContact CD1-CD2 4.01Å; Y29-Y80 AromaticContact CD1-CG 3.83Å; Y29-Y80 HydrophobicContact CD1-CG 3.83Å; Y29-Y80 AromaticContact CE1-CD1 3.94Å; Y29-Y80 HydrophobicContact CE1-CD1 3.94Å; Y29-Y80 HydrophobicContact CE1-CD2 4.34Å; Y29-Y80 AromaticContact CE1-CG 3.72Å; Y29-Y80 HydrophobicContact CE1-CG 3.72Å
30P86.6Confident81.2Confident65 Ų6571.2 Ų71.242%0.42243%0.433SS..SBendcis-73.5159.3-129.7-35.4000112.7Y80P30-Y80 WeakPolarHBondContact CD-OH 3.31Å; P30-Y80 HydrophobicContact CG-CE1 4.29Å; P30-Y80 HydrophobicContact CG-CE2 4.38Å
31G81.1Confident83.1Confident33 Ų3366.9 Ų66.934%0.3441%0.41SS..SBendtrans-58.6171.8-179.100000113.9
32P85.3Confident84.9Confident83 Ų8364.9 Ų64.954%0.53938%0.383SS..PPolyproline II helixcis-83.1138.728.329.5-35.6000114.9I41P32-I41 HydrophobicContact CB-CG2 3.73Å
33F90.2Very high86.4Confident6 Ų666.5 Ų66.53%0.02639%0.39CS..EExtended strand (participates in β ladder)trans-88.6114.4177.9-51.4-75.9000109.9A27 A28 Y29 V42 A45 F48 F61A27-F33 HydrophobicContact CB-CD1 4.01Å; A28-F33 VanDerWaalsContact O-CE1 3.27Å; A28-F33 WeakPolarHBondContact O-CE1 3.48Å; Y29-F33 HydrophobicContact CD2-CE1 4.46Å; Y29-F33 HydrophobicContact CD2-CZ 4.12Å; F33-V42 WeakPolarHBondContact CB-O 3.4Å; F33-V42 WeakPolarHBondContact CD2-O 3.36Å; F33-V42 PolarHBondContact N-O 3.41Å; F33-V42 PolarHBondContact O-N 2.95Å; F33-A45 HydrophobicContact CD2-CB 4.14Å; F33-A45 HydrophobicContact CE1-CB 4.5Å; F33-A45 VanDerWaalsContact CE2-CA 3.46Å; F33-A45 HydrophobicContact CE2-CB 3.43Å; F33-A45 VanDerWaalsContact CE2-CB 3.43Å; F33-A45 HydrophobicContact CZ-CB 3.63Å; F33-F48 HydrophobicContact CB-CB 3.85Å; F33-F48 HydrophobicContact CB-CD1 3.68Å; F33-F48 HydrophobicContact CB-CD2 3.43Å; F33-F48 VanDerWaalsContact CB-CD2 3.43Å; F33-F48 HydrophobicContact CB-CE1 4.03Å; F33-F48 HydrophobicContact CB-CE2 3.82Å; F33-F48 HydrophobicContact CB-CG 3.35Å; F33-F48 HydrophobicContact CB-CZ 4.1Å; F33-F48 HydrophobicContact CD1-CD1 4.27Å; F33-F48 HydrophobicContact CD2-CB 4.18Å; F33-F48 HydrophobicContact CD2-CG 4.49Å; F33-F48 HydrophobicContact CG-CB 4.13Å; F33-F48 AromaticContact CG-CD1 3.99Å; F33-F48 HydrophobicContact CG-CD1 3.99Å; F33-F48 HydrophobicContact CG-CD2 4.49Å; F33-F48 AromaticContact CG-CG 3.95Å; F33-F48 HydrophobicContact CG-CG 3.95Å; F33-F61 HydrophobicContact CD1-CE1 4.22Å; F33-F61 AromaticContact CE1-CD1 3.93Å; F33-F61 HydrophobicContact CE1-CD1 3.93Å; F33-F61 AromaticContact CE1-CE1 3.79Å; F33-F61 HydrophobicContact CE1-CE1 3.79Å; F33-F61 HydrophobicContact CZ-CE1 4.35Å
34R89.4Confident87.3Confident173 Ų17363.9 Ų63.965%0.65338%0.379SS*.EExtended strand (participates in β ladder)trans-97.4130178.3-59.3-174.7179.3-130.50.6109.4I41R34-I41 HydrophobicContact CG-CD1 4.32Å; R34-I41 HydrophobicContact CG-CG1 4.11Å; R34-I41 HydrophobicContact CG-CG2 4.24Å
35C88.3Confident87.6Confident11 Ų1160.3 Ų60.37%0.07437%0.365CS..  trans-74134.1170.6-176.10000109.9L37 C38 T40 F48 H51 M52C35-L37 VanDerWaalsContact C-N 3.3Å; C35-L37 PolarHBondContact SG-N 3.26Å; C35-C38 VanDerWaalsContact CB-SG 3.57Å; C35-T40 PolarHBondContact N-O 3.31Å; C35-T40 VanDerWaalsContact N-O 3.07Å; C35-F48 HydrophobicContact CB-CE2 4.4Å; C35-H51 VanDerWaalsContact CB-NE2 3.28Å; C35-H51 WeakPolarHBondContact CB-NE2 3.5Å; C35-H51 PolarHBondContact SG-NE2 3.05Å; C35-M52 HydrophobicContact CB-SD 4.2Å
36P84.3Confident87.8Confident86 Ų8664.9 Ų64.956%0.55838%0.384SS*.SBendtrans-80.2-12.3173.432.2-35.8000113.2V25V25-P36 HydrophobicContact CB-CG 4.3Å; V25-P36 HydrophobicContact CG1-CG 3.6Å; V25-P36 HydrophobicContact CG2-CG 3.67Å
37L85.9Confident87.9Confident80 Ų8065.2 Ų65.242%0.41938%0.382SS..SBendtrans-99.2-16.9-176.8-64.5175.6000113.6C35 H55 K57C35-L37 VanDerWaalsContact C-N 3.3Å; C35-L37 PolarHBondContact SG-N 3.26Å; L37-H55 HydrophobicContact CD1-CB 3.39Å; L37-K57 HydrophobicContact CD1-CD 3.7Å; L37-K57 HydrophobicContact CD1-CG 4.15Å; L37-K57 HydrophobicContact CG-CD 4.39Å
38C88.7Confident88Confident43 Ų4365 Ų6529%0.29138%0.379SS..SBendtrans-149.8171.9177.168.80000110.6C35 T40 H51C35-C38 VanDerWaalsContact CB-SG 3.57Å; C38-T40 PolarHBondContact O-N 3.21Å; C38-T40 VanDerWaalsContact O-N 3.14Å; C38-T40 VanDerWaalsContact SG-CG2 3.55Å; C38-T40 PolarHBondContact SG-OG1 2.8Å; C38-H51 PolarHBondContact SG-CE1 3.01Å; C38-H51 PolarHBondContact SG-NE2 3.47Å
39V87.1Confident88Confident145 Ų14564.1 Ų64.188%0.87937%0.367SS*.SBendtrans-79.18.1-176.5-157.90000112.5I41V39-I41 PolarHBondContact O-N 2.9Å
40T86.5Confident88.1Confident56 Ų5666 Ų6634%0.34438%0.377SS..  trans-72.5130.9-177.167.70000111.2C35 C38 H51C35-T40 PolarHBondContact N-O 3.31Å; C35-T40 VanDerWaalsContact N-O 3.07Å; C38-T40 PolarHBondContact O-N 3.21Å; C38-T40 VanDerWaalsContact O-N 3.14Å; C38-T40 VanDerWaalsContact SG-CG2 3.55Å; C38-T40 PolarHBondContact SG-OG1 2.8Å; T40-H51 PolarHBondContact OG1-CD2 3.12Å; T40-H51 PolarHBondContact OG1-CE1 3.32Å; T40-H51 PolarHBondContact OG1-NE2 3.27Å; T40-H51 VanDerWaalsContact OG1-NE2 3.08Å
41I89.3Confident88.3Confident91 Ų9164.6 Ų64.647%0.46737%0.365SS..EExtended strand (participates in β ladder)trans-120123.4173.6-53.8-177.8000106.8P32 R34 V39P32-I41 HydrophobicContact CB-CG2 3.73Å; R34-I41 HydrophobicContact CG-CD1 4.32Å; R34-I41 HydrophobicContact CG-CG1 4.11Å; R34-I41 HydrophobicContact CG-CG2 4.24Å; V39-I41 PolarHBondContact O-N 2.9Å
42V88.7Confident88.7Confident29 Ų2963 Ų6318%0.17635%0.349CS..EExtended strand (participates in β ladder)trans-124.1128.6-174.1-1740000108.4F33 V44 T47 F48F33-V42 WeakPolarHBondContact CB-O 3.4Å; F33-V42 WeakPolarHBondContact CD2-O 3.36Å; F33-V42 PolarHBondContact N-O 3.41Å; F33-V42 PolarHBondContact O-N 2.95Å; V42-V44 WeakPolarHBondContact CG1-O 3.5Å; V42-T47 WeakPolarHBondContact CG1-OG1 3.48Å; V42-F48 HydrophobicContact CB-CB 4.22Å; V42-F48 HydrophobicContact CG1-CB 4.32Å
43S88.9Confident88.9Confident98 Ų9866.3 Ų66.369%0.68535%0.35SS*.SBendtrans-81.7-31.1178.955.40000112.3
44V90.4Very high88.9Confident79 Ų7970.3 Ų70.348%0.47938%0.379SS..SBendtrans-92.8125.4-179.7179.30000109.6V42 H46 T47 F48V42-V44 WeakPolarHBondContact CG1-O 3.5Å; V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 HydrophobicContact CG1-CB 4.26Å; V44-H46 PolarHBondContact O-N 2.97Å; V44-T47 WeakPolarHBondContact CB-OG1 3.45Å; V44-T47 PolarHBondContact O-N 2.73Å; V44-T47 PolarHBondContact O-OG1 3.26Å; V44-F48 PolarHBondContact O-N 3.46Å; V44-F48 VanDerWaalsContact O-N 3.09Å
45A88Confident88.8Confident7 Ų765.3 Ų65.36%0.05836%0.363CS..Hα-helixtrans-70.3-29.9-175.600000114.5F33 F48 L49 F61 I73F33-A45 HydrophobicContact CD2-CB 4.14Å; F33-A45 HydrophobicContact CE1-CB 4.5Å; F33-A45 VanDerWaalsContact CE2-CA 3.46Å; F33-A45 HydrophobicContact CE2-CB 3.43Å; F33-A45 VanDerWaalsContact CE2-CB 3.43Å; F33-A45 HydrophobicContact CZ-CB 3.63Å; A45-F48 WeakPolarHBondContact O-CB 3.45Å; A45-F48 PolarHBondContact O-N 3.43Å; A45-L49 WeakPolarHBondContact O-CG 3.18Å; A45-L49 PolarHBondContact O-N 3.29Å; A45-F61 HydrophobicContact CB-CE1 4.42Å; A45-I73 HydrophobicContact CB-CD1 2.91Å; A45-I73 HydrophobicContact CB-CG1 4.25Å
46H89.4Confident88.8Confident111 Ų11168.2 Ų68.251%0.51440%0.395SS..Hα-helixtrans-61.3-49.2176.9-177.5-88000110.6V44 F48 L49 E50V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 HydrophobicContact CG1-CB 4.26Å; V44-H46 PolarHBondContact O-N 2.97Å; H46-F48 VanDerWaalsContact C-N 3.26Å; H46-F48 PolarHBondContact O-N 2.99Å; H46-L49 WeakPolarHBondContact O-CB 3.49Å; H46-L49 PolarHBondContact O-N 3Å; H46-L49 VanDerWaalsContact O-N 3.13Å; H46-E50 IonicContact CE1-OE1 3.35Å; H46-E50 PolarHBondContact CE1-OE1 3.44Å; H46-E50 IonicContact CE1-OE2 3.93Å; H46-E50 IonicContact ND1-OE1 3.79Å; H46-E50 IonicContact ND1-OE2 4Å; H46-E50 PolarHBondContact ND1-OE2 3.29Å; H46-E50 WeakPolarHBondContact O-CG 3.15Å; H46-E50 PolarHBondContact O-N 3.03Å
47T91.1Very high88.8Confident58 Ų5867.2 Ų67.236%0.35638%0.382SS..Hα-helixtrans-64.6-31.3175.644.70000111.8V42 V44 E50 H51V42-T47 WeakPolarHBondContact CG1-OG1 3.48Å; V44-T47 WeakPolarHBondContact CB-OG1 3.45Å; V44-T47 PolarHBondContact O-N 2.73Å; V44-T47 PolarHBondContact O-OG1 3.26Å; T47-E50 PolarHBondContact O-N 3.45Å; T47-H51 VanDerWaalsContact O-CB 3.28Å; T47-H51 WeakPolarHBondContact O-CB 3.38Å; T47-H51 PolarHBondContact O-N 3.11Å
48F90.9Very high88.8Confident0 Ų067.8 Ų67.80%039%0.385CS..Hα-helixtrans-66.5-42.3171.5-178.8-108.6000112.3A27 F33 C35 V42 V44 A45 H46 E50 H51 M52 V59A27-F48 HydrophobicContact CB-CD1 4.44Å; A27-F48 HydrophobicContact CB-CE1 3.53Å; A27-F48 HydrophobicContact CB-CZ 3.99Å; F33-F48 HydrophobicContact CB-CB 3.85Å; F33-F48 HydrophobicContact CB-CD1 3.68Å; F33-F48 HydrophobicContact CB-CD2 3.43Å; F33-F48 VanDerWaalsContact CB-CD2 3.43Å; F33-F48 HydrophobicContact CB-CE1 4.03Å; F33-F48 HydrophobicContact CB-CE2 3.82Å; F33-F48 HydrophobicContact CB-CG 3.35Å; F33-F48 HydrophobicContact CB-CZ 4.1Å; F33-F48 HydrophobicContact CD1-CD1 4.27Å; F33-F48 HydrophobicContact CD2-CB 4.18Å; F33-F48 HydrophobicContact CD2-CG 4.49Å; F33-F48 HydrophobicContact CG-CB 4.13Å; F33-F48 AromaticContact CG-CD1 3.99Å; F33-F48 HydrophobicContact CG-CD1 3.99Å; F33-F48 HydrophobicContact CG-CD2 4.49Å; F33-F48 AromaticContact CG-CG 3.95Å; F33-F48 HydrophobicContact CG-CG 3.95Å; C35-F48 HydrophobicContact CB-CE2 4.4Å; V42-F48 HydrophobicContact CB-CB 4.22Å; V42-F48 HydrophobicContact CG1-CB 4.32Å; V44-F48 PolarHBondContact O-N 3.46Å; V44-F48 VanDerWaalsContact O-N 3.09Å; A45-F48 WeakPolarHBondContact O-CB 3.45Å; A45-F48 PolarHBondContact O-N 3.43Å; H46-F48 VanDerWaalsContact C-N 3.26Å; H46-F48 PolarHBondContact O-N 2.99Å; F48-E50 VanDerWaalsContact C-N 3.33Å; F48-E50 PolarHBondContact O-N 3.46Å; F48-H51 WeakPolarHBondContact O-CB 3.47Å; F48-H51 PolarHBondContact O-N 3.09Å; F48-M52 HydrophobicContact CD1-CG 4.19Å; F48-M52 HydrophobicContact CD2-CG 4.21Å; F48-M52 HydrophobicContact CE1-CG 3.77Å; F48-M52 HydrophobicContact CE2-CG 3.79Å; F48-M52 HydrophobicContact CE2-SD 3.87Å; F48-M52 HydrophobicContact CG-CG 4.4Å; F48-M52 HydrophobicContact CZ-CG 3.55Å; F48-M52 HydrophobicContact CZ-SD 3.81Å; F48-M52 VanDerWaalsContact O-CG 3.3Å; F48-M52 WeakPolarHBondContact O-CG 3.43Å; F48-M52 PolarHBondContact O-N 3.32Å; F48-V59 HydrophobicContact CD1-CG1 4.27Å; F48-V59 HydrophobicContact CE1-CG1 3.7Å; F48-V59 HydrophobicContact CE1-CG2 4.19Å
49L89.7Confident88.8Confident42 Ų4266 Ų6622%0.2237%0.373CS..Hα-helixtrans-64.3-37.1175.4-72.8172.5000112.3A45 H46 R53 V59 F61A45-L49 WeakPolarHBondContact O-CG 3.18Å; A45-L49 PolarHBondContact O-N 3.29Å; H46-L49 WeakPolarHBondContact O-CB 3.49Å; H46-L49 PolarHBondContact O-N 3Å; H46-L49 VanDerWaalsContact O-N 3.13Å; L49-R53 WeakPolarHBondContact O-CB 3.42Å; L49-R53 WeakPolarHBondContact O-CG 3.46Å; L49-R53 PolarHBondContact O-N 3.38Å; L49-R53 PolarHBondContact O-NE 2.98Å; L49-V59 HydrophobicContact CD2-CB 3.71Å; L49-V59 HydrophobicContact CD2-CG1 4.07Å; L49-V59 HydrophobicContact CD2-CG2 4.11Å; L49-F61 HydrophobicContact CD1-CE2 4.31Å; L49-F61 HydrophobicContact CD1-CZ 4.09Å; L49-F61 HydrophobicContact CD2-CE2 3.91Å; L49-F61 HydrophobicContact CD2-CZ 3.72Å; L49-F61 HydrophobicContact CG-CE2 4.4Å; L49-F61 HydrophobicContact CG-CZ 3.91Å
50E90.3Very high89Confident89 Ų8963.7 Ų63.742%0.41635%0.348SS..Hα-helixtrans-65.7-43.4172.8-70.4177143.700111.5H46 T47 F48 R53 S54H46-E50 IonicContact CE1-OE1 3.35Å; H46-E50 PolarHBondContact CE1-OE1 3.44Å; H46-E50 IonicContact CE1-OE2 3.93Å; H46-E50 IonicContact ND1-OE1 3.79Å; H46-E50 IonicContact ND1-OE2 4Å; H46-E50 PolarHBondContact ND1-OE2 3.29Å; H46-E50 WeakPolarHBondContact O-CG 3.15Å; H46-E50 PolarHBondContact O-N 3.03Å; T47-E50 PolarHBondContact O-N 3.45Å; F48-E50 VanDerWaalsContact C-N 3.33Å; F48-E50 PolarHBondContact O-N 3.46Å; E50-R53 VanDerWaalsContact CG-NH2 3.31Å; E50-R53 WeakPolarHBondContact O-CB 3.33Å; E50-R53 PolarHBondContact O-N 2.91Å; E50-S54 PolarHBondContact O-N 3.29Å
51H90.8Very high89.2Confident36 Ų3661.1 Ų61.117%0.16733%0.332CS..Hα-helixtrans-61.2-46.4175.3172.863.6000111.9C35 C38 T40 T47 F48 R53 S54 H55C35-H51 VanDerWaalsContact CB-NE2 3.28Å; C35-H51 WeakPolarHBondContact CB-NE2 3.5Å; C35-H51 PolarHBondContact SG-NE2 3.05Å; C38-H51 PolarHBondContact SG-CE1 3.01Å; C38-H51 PolarHBondContact SG-NE2 3.47Å; T40-H51 PolarHBondContact OG1-CD2 3.12Å; T40-H51 PolarHBondContact OG1-CE1 3.32Å; T40-H51 PolarHBondContact OG1-NE2 3.27Å; T40-H51 VanDerWaalsContact OG1-NE2 3.08Å; T47-H51 VanDerWaalsContact O-CB 3.28Å; T47-H51 WeakPolarHBondContact O-CB 3.38Å; T47-H51 PolarHBondContact O-N 3.11Å; F48-H51 WeakPolarHBondContact O-CB 3.47Å; F48-H51 PolarHBondContact O-N 3.09Å; H51-R53 VanDerWaalsContact C-N 3.29Å; H51-R53 PolarHBondContact O-N 3.21Å; H51-S54 WeakPolarHBondContact O-CB 3.29Å; H51-S54 PolarHBondContact O-N 3.1Å; H51-S54 PolarHBondContact O-OG 2.86Å; H51-H55 AromaticContact CE1-CD2 3.66Å; H51-H55 AromaticContact CE1-NE2 3.24Å; H51-H55 PolarHBondContact CE1-NE2 3.5Å; H51-H55 AromaticContact NE2-CD2 3.47Å; H51-H55 PolarHBondContact NE2-CD2 3.02Å; H51-H55 AromaticContact NE2-NE2 3.29Å; H51-H55 PolarHBondContact NE2-NE2 3.32Å
52M89.5Confident89.3Confident0 Ų058.8 Ų58.80%032%0.321CS..Hα-helixtrans-68.2-29.1179.5-67.5-56.5-51.500112.9V25 C35 F48 S54 H55 G56 K57 V59V25-M52 HydrophobicContact CB-CE 3.86Å; V25-M52 HydrophobicContact CG1-CE 4.18Å; V25-M52 HydrophobicContact CG2-CE 3.53Å; C35-M52 HydrophobicContact CB-SD 4.2Å; F48-M52 HydrophobicContact CD1-CG 4.19Å; F48-M52 HydrophobicContact CD2-CG 4.21Å; F48-M52 HydrophobicContact CE1-CG 3.77Å; F48-M52 HydrophobicContact CE2-CG 3.79Å; F48-M52 HydrophobicContact CE2-SD 3.87Å; F48-M52 HydrophobicContact CG-CG 4.4Å; F48-M52 HydrophobicContact CZ-CG 3.55Å; F48-M52 HydrophobicContact CZ-SD 3.81Å; F48-M52 VanDerWaalsContact O-CG 3.3Å; F48-M52 WeakPolarHBondContact O-CG 3.43Å; F48-M52 PolarHBondContact O-N 3.32Å; M52-S54 VanDerWaalsContact C-N 3.28Å; M52-S54 PolarHBondContact O-N 3.24Å; M52-H55 WeakPolarHBondContact O-CB 3.28Å; M52-H55 PolarHBondContact O-N 3.39Å; M52-H55 VanDerWaalsContact O-N 3.09Å; M52-G56 PolarHBondContact O-N 3.09Å; M52-K57 HydrophobicContact CE-CB 3.88Å; M52-K57 HydrophobicContact CE-CD 4.48Å; M52-K57 PolarHBondContact O-N 3.18Å; M52-V59 HydrophobicContact CB-CG2 3.29Å; M52-V59 HydrophobicContact CE-CG2 4.47Å; M52-V59 HydrophobicContact CG-CG2 3.42Å; M52-V59 VanDerWaalsContact CG-CG2 3.42Å
53R89.8Confident89.4Confident152 Ų15257.4 Ų57.457%0.57431%0.312SS*.Hα-helixtrans-61.3-34.2168.9-87.4178.2-91143.5-9112.7L49 E50 H51 H55 G56L49-R53 WeakPolarHBondContact O-CB 3.42Å; L49-R53 WeakPolarHBondContact O-CG 3.46Å; L49-R53 PolarHBondContact O-N 3.38Å; L49-R53 PolarHBondContact O-NE 2.98Å; E50-R53 VanDerWaalsContact CG-NH2 3.31Å; E50-R53 WeakPolarHBondContact O-CB 3.33Å; E50-R53 PolarHBondContact O-N 2.91Å; H51-R53 VanDerWaalsContact C-N 3.29Å; H51-R53 PolarHBondContact O-N 3.21Å; R53-H55 PolarHBondContact O-N 2.85Å; R53-G56 PolarHBondContact O-N 3.32Å
54S89.1Confident89.3Confident90 Ų9055.2 Ų55.263%0.62931%0.305SS*.Hα-helixtrans-64-23.9174.778.60000113.1E50 H51 M52E50-S54 PolarHBondContact O-N 3.29Å; H51-S54 WeakPolarHBondContact O-CB 3.29Å; H51-S54 PolarHBondContact O-N 3.1Å; H51-S54 PolarHBondContact O-OG 2.86Å; M52-S54 VanDerWaalsContact C-N 3.28Å; M52-S54 PolarHBondContact O-N 3.24Å
55H88.3Confident89.2Confident69 Ų6956.7 Ų56.732%0.31931%0.305SS..THydrogen-bonded Turntrans-91.2-4.2174.4-70.8-59.6000113.8L37 H51 M52 R53 K57L37-H55 HydrophobicContact CD1-CB 3.39Å; H51-H55 AromaticContact CE1-CD2 3.66Å; H51-H55 AromaticContact CE1-NE2 3.24Å; H51-H55 PolarHBondContact CE1-NE2 3.5Å; H51-H55 AromaticContact NE2-CD2 3.47Å; H51-H55 PolarHBondContact NE2-CD2 3.02Å; H51-H55 AromaticContact NE2-NE2 3.29Å; H51-H55 PolarHBondContact NE2-NE2 3.32Å; M52-H55 WeakPolarHBondContact O-CB 3.28Å; M52-H55 PolarHBondContact O-N 3.39Å; M52-H55 VanDerWaalsContact O-N 3.09Å; R53-H55 PolarHBondContact O-N 2.85Å; H55-K57 PolarHBondContact O-N 3.47Å
56G87.4Confident89.2Confident72 Ų7258.6 Ų58.674%0.74232%0.318SS*.THydrogen-bonded Turntrans66.419-175.700000114.4M52 R53M52-G56 PolarHBondContact O-N 3.09Å; R53-G56 PolarHBondContact O-N 3.32Å
57K84.8Confident89.1Confident65 Ų6559 Ų5928%0.28332%0.323SS..  trans-101.7139.1177.5-65.4-160.1173-176.60111.3V25 L37 M52 H55V25-K57 HydrophobicContact CG2-CB 4.16Å; V25-K57 HydrophobicContact CG2-CD 3.57Å; L37-K57 HydrophobicContact CD1-CD 3.7Å; L37-K57 HydrophobicContact CD1-CG 4.15Å; L37-K57 HydrophobicContact CG-CD 4.39Å; M52-K57 HydrophobicContact CE-CB 3.88Å; M52-K57 HydrophobicContact CE-CD 4.48Å; M52-K57 PolarHBondContact O-N 3.18Å; H55-K57 PolarHBondContact O-N 3.47Å
58D86.9Confident88.9Confident91 Ų9163.9 Ų63.949%0.48734%0.335SS..EExtended strand (participates in β ladder)trans-77.7151.7171-165.215.5000110.1F24 V25F24-D58 CarbonylContact C-O 3.59Å; F24-D58 WeakPolarHBondContact CA-O 3.26Å; F24-D58 HydrophobicContact CB-CB 4.28Å; V25-D58 PolarHBondContact N-O 3.33Å
59V87.9Confident88.9Confident5 Ų567.8 Ų67.83%0.0336%0.356CS..EExtended strand (participates in β ladder)trans-122.1125.4-176.1178.70000109.9V25 A27 F48 L49 M52 F61V25-V59 WeakPolarHBondContact O-CA 3.27Å; A27-V59 HydrophobicContact CB-CG1 4.19Å; F48-V59 HydrophobicContact CD1-CG1 4.27Å; F48-V59 HydrophobicContact CE1-CG1 3.7Å; F48-V59 HydrophobicContact CE1-CG2 4.19Å; L49-V59 HydrophobicContact CD2-CB 3.71Å; L49-V59 HydrophobicContact CD2-CG1 4.07Å; L49-V59 HydrophobicContact CD2-CG2 4.11Å; M52-V59 HydrophobicContact CB-CG2 3.29Å; M52-V59 HydrophobicContact CE-CG2 4.47Å; M52-V59 HydrophobicContact CG-CG2 3.42Å; M52-V59 VanDerWaalsContact CG-CG2 3.42Å; V59-F61 HydrophobicContact CG1-CE1 4.29Å; V59-F61 HydrophobicContact CG1-CE2 4.2Å; V59-F61 HydrophobicContact CG1-CZ 4.03Å
60R91.1Very high88.9Confident98 Ų9869 Ų6937%0.3736%0.357SS..EExtended strand (participates in β ladder)trans-110142.4169.2-64.1-172.5176.6169.1-2.8109.7F24 V25 A26 A27 L69 W70F24-R60 HydrophobicContact CB-CG 4.26Å; F24-R60 HydrophobicContact CD2-CB 3.98Å; F24-R60 HydrophobicContact CD2-CG 3.89Å; F24-R60 HydrophobicContact CE2-CB 4.43Å; F24-R60 HydrophobicContact CE2-CG 4.49Å; F24-R60 HydrophobicContact CG-CG 4.08Å; V25-R60 PolarHBondContact O-N 3.28Å; A26-R60 CarbonylContact C-O 3.46Å; A26-R60 VanDerWaalsContact CA-O 3.31Å; A26-R60 WeakPolarHBondContact CA-O 3.45Å; A27-R60 PolarHBondContact N-O 2.91Å; R60-L69 HydrophobicContact CB-CD2 3.83Å; R60-W70 WeakPolarHBondContact CA-O 3.5Å
61F90.6Very high88.8Confident1 Ų169.1 Ų69.10%0.00437%0.366CS..EExtended strand (participates in β ladder)trans-100.5127.8-177.7-63.9-86.8000111.2A27 F33 A45 L49 V59 L69 W70 I73 V76A27-F61 HydrophobicContact CB-CD1 4.5Å; A27-F61 CarbonylContact O-C 3.55Å; A27-F61 VanDerWaalsContact O-CA 3.29Å; A27-F61 WeakPolarHBondContact O-CA 3.31Å; F33-F61 HydrophobicContact CD1-CE1 4.22Å; F33-F61 AromaticContact CE1-CD1 3.93Å; F33-F61 HydrophobicContact CE1-CD1 3.93Å; F33-F61 AromaticContact CE1-CE1 3.79Å; F33-F61 HydrophobicContact CE1-CE1 3.79Å; F33-F61 HydrophobicContact CZ-CE1 4.35Å; A45-F61 HydrophobicContact CB-CE1 4.42Å; L49-F61 HydrophobicContact CD1-CE2 4.31Å; L49-F61 HydrophobicContact CD1-CZ 4.09Å; L49-F61 HydrophobicContact CD2-CE2 3.91Å; L49-F61 HydrophobicContact CD2-CZ 3.72Å; L49-F61 HydrophobicContact CG-CE2 4.4Å; L49-F61 HydrophobicContact CG-CZ 3.91Å; V59-F61 HydrophobicContact CG1-CE1 4.29Å; V59-F61 HydrophobicContact CG1-CE2 4.2Å; V59-F61 HydrophobicContact CG1-CZ 4.03Å; F61-L69 CarbonylContact O-C 3Å; F61-L69 WeakPolarHBondContact O-CA 3.47Å; F61-W70 PolarHBondContact N-O 3.44Å; F61-W70 PolarHBondContact O-N 3.35Å; F61-I73 HydrophobicContact CD2-CB 4.3Å; F61-I73 HydrophobicContact CE1-CB 4.45Å; F61-I73 HydrophobicContact CE2-CB 3.87Å; F61-I73 HydrophobicContact CZ-CB 3.95Å; F61-V76 HydrophobicContact CB-CB 3.86Å; F61-V76 HydrophobicContact CB-CG1 3.53Å; F61-V76 HydrophobicContact CB-CG2 4.18Å; F61-V76 HydrophobicContact CG-CG1 3.99Å
62L91.3Very high88.7Confident43 Ų4370.9 Ų70.923%0.22538%0.379CS..EExtended strand (participates in β ladder)trans-92.5133.4174.4-72.5166.8000110.1A26 A27 Y29 G64 D67 R68 L69A26-L62 HydrophobicContact CB-CD1 3.62Å; A26-L62 HydrophobicContact CB-CG 4.07Å; A27-L62 PolarHBondContact O-N 2.9Å; Y29-L62 PolarHBondContact N-O 3.36Å; L62-G64 PolarHBondContact O-N 3.21Å; L62-D67 VanDerWaalsContact CD2-O 3.23Å; L62-D67 WeakPolarHBondContact CD2-O 3.42Å; L62-R68 WeakPolarHBondContact CA-O 3.38Å; L62-L69 HydrophobicContact CD2-CD2 3.32Å; L62-L69 HydrophobicContact CD2-CG 3.5Å; L62-L69 HydrophobicContact CG-CD2 3.68Å; L62-L69 HydrophobicContact CG-CG 4.39Å
63C90.9Very high88.8Confident0 Ų073.4 Ų73.40%039%0.392CS..EExtended strand (participates in β ladder)trans-76.7114.9172.1178.90000110.4K65 C66 D67 R68 V76 H79C63-K65 PolarHBondContact O-N 3.07Å; C63-C66 PolarHBondContact O-N 2.9Å; C63-C66 VanDerWaalsContact O-N 3.1Å; C63-D67 WeakPolarHBondContact O-CA 3.39Å; C63-D67 PolarHBondContact O-N 2.92Å; C63-R68 PolarHBondContact N-O 3.08Å; C63-V76 HydrophobicContact CB-CG2 4.22Å; C63-H79 PolarHBondContact SG-CD2 2.96Å; C63-H79 PolarHBondContact SG-NE2 3.38Å; C63-H79 VanDerWaalsContact SG-NE2 3.44Å
64G87.5Confident88.8Confident52 Ų5272.8 Ų72.854%0.53640%0.395SS..THydrogen-bonded Turntrans-63.41.9179.800000116.4Y29 L62Y29-G64 PolarHBondContact O-N 3.15Å; L62-G64 PolarHBondContact O-N 3.21Å
65K87.3Confident88.9Confident109 Ų10969.6 Ų69.647%0.47437%0.373SS..THydrogen-bonded Turntrans-104.7-25.5174.7-69.9176.3178.8177.30114.2C63 Y80 C83C63-K65 PolarHBondContact O-N 3.07Å; K65-Y80 HydrophobicContact CD-CD2 4.29Å; K65-Y80 HydrophobicContact CD-CE2 4.03Å; K65-Y80 HydrophobicContact CG-CD2 4.38Å; K65-Y80 HydrophobicContact CG-CE2 3.88Å; K65-Y80 PolarHBondContact NZ-O 3.42Å; K65-C83 HydrophobicContact CB-CB 4.29Å; K65-C83 WeakPolarHBondContact CB-SG 3.1Å; K65-C83 HydrophobicContact CD-CB 3.93Å; K65-C83 WeakPolarHBondContact CD-O 3.44Å; K65-C83 PolarHBondContact NZ-O 3.14Å
66C88.1Confident89.1Confident48 Ų4866.3 Ų66.332%0.32436%0.358SS..THydrogen-bonded Turntrans-145.47-175.572.30000114.5C63 R68 H79 C83C63-C66 PolarHBondContact O-N 2.9Å; C63-C66 VanDerWaalsContact O-N 3.1Å; C66-R68 PolarHBondContact O-N 3.11Å; C66-H79 PolarHBondContact SG-NE2 3.27Å; C66-C83 PolarHBondContact SG-SG 2.91Å
67D87Confident89.3Confident119 Ų11964.2 Ų64.264%0.63633%0.334SS*.  trans54.520176.2-53.9-41.8000115.4L62 C63L62-D67 VanDerWaalsContact CD2-O 3.23Å; L62-D67 WeakPolarHBondContact CD2-O 3.42Å; C63-D67 WeakPolarHBondContact O-CA 3.39Å; C63-D67 PolarHBondContact O-N 2.92Å
68R87Confident89.5Confident161 Ų16163.7 Ų63.761%0.60834%0.338SS*.  trans-72.5136.7172.6-72.5-178.2-174.2-154.50.1111L62 C63 C66L62-R68 WeakPolarHBondContact CA-O 3.38Å; C63-R68 PolarHBondContact N-O 3.08Å; C66-R68 PolarHBondContact O-N 3.11Å
69L91.2Very high89.6Confident81 Ų8160.9 Ų60.942%0.42432%0.322SS..EExtended strand (participates in β ladder)trans-84.3138.3175.8-74.7162.1000111.5F24 A26 R60 F61 L62F24-L69 HydrophobicContact CE2-CD1 4.46Å; F24-L69 HydrophobicContact CE2-CD2 4.43Å; A26-L69 HydrophobicContact CB-CD2 4.19Å; R60-L69 HydrophobicContact CB-CD2 3.83Å; F61-L69 CarbonylContact O-C 3Å; F61-L69 WeakPolarHBondContact O-CA 3.47Å; L62-L69 HydrophobicContact CD2-CD2 3.32Å; L62-L69 HydrophobicContact CD2-CG 3.5Å; L62-L69 HydrophobicContact CG-CD2 3.68Å; L62-L69 HydrophobicContact CG-CG 4.39Å
70W89.4Confident89.7Confident68 Ų6864 Ų6426%0.25833%0.334SS..EExtended strand (participates in β ladder)trans-133.5137.4179.4-65.888.9000109.8R60 F61 T72 S75 V76 H79R60-W70 WeakPolarHBondContact CA-O 3.5Å; F61-W70 PolarHBondContact N-O 3.44Å; F61-W70 PolarHBondContact O-N 3.35Å; W70-T72 VanDerWaalsContact C-N 3.33Å; W70-T72 PolarHBondContact O-N 3.44Å; W70-S75 WeakPolarHBondContact CB-OG 3.37Å; W70-V76 HydrophobicContact CB-CB 3.83Å; W70-V76 HydrophobicContact CG-CB 3.84Å; W70-V76 HydrophobicContact CG-CG2 4.23Å; W70-H79 HydrophobicContact CD2-CB 4.35Å; W70-H79 AromaticContact CE2-CD2 3.81Å; W70-H79 AromaticContact CE2-CG 3.56Å; W70-H79 HydrophobicContact CH2-CB 3.86Å; W70-H79 HydrophobicContact CZ2-CB 3.36Å; W70-H79 AromaticContact CZ2-CD2 3.83Å; W70-H79 AromaticContact CZ2-CG 3.2Å; W70-H79 AromaticContact CZ2-ND1 3.4Å; W70-H79 WeakPolarHBondContact CZ2-ND1 3.32Å; W70-H79 AromaticContact NE1-CD2 3.43Å; W70-H79 PolarHBondContact NE1-CD2 3.48Å; W70-H79 AromaticContact NE1-CG 3.69Å
71P89.1Confident89.5Confident92 Ų9262.6 Ų62.660%0.59734%0.338SS*.SBendtrans-74.2-23.2-175.829.2-35.2000113.3
72T89.6Confident89.3Confident72 Ų7269.1 Ų69.144%0.44237%0.367SS..SBendtrans-132.2151.9-17765.90000111.5W70 H74 S75 V76W70-T72 VanDerWaalsContact C-N 3.33Å; W70-T72 PolarHBondContact O-N 3.44Å; T72-H74 VanDerWaalsContact C-N 3.26Å; T72-H74 PolarHBondContact O-N 3.03Å; T72-S75 PolarHBondContact N-OG 3.1Å; T72-S75 PolarHBondContact O-N 3.38Å; T72-S75 PolarHBondContact O-OG 3.42Å; T72-S75 WeakPolarHBondContact OG1-CB 3.26Å; T72-S75 PolarHBondContact OG1-N 3.4Å; T72-S75 PolarHBondContact OG1-OG 3.07Å; T72-V76 PolarHBondContact O-N 3.02Å
73I90.1Very high89Confident53 Ų5367.7 Ų67.727%0.27236%0.36SS..Hα-helixtrans-59.6-39.2176.4-177.8158.2000112.4Y29 A45 F61 S75 V76 A77Y29-I73 HydrophobicContact CD2-CD1 4.22Å; Y29-I73 HydrophobicContact CD2-CG1 4.31Å; Y29-I73 HydrophobicContact CE2-CD1 3.94Å; Y29-I73 HydrophobicContact CE2-CG1 4.08Å; A45-I73 HydrophobicContact CB-CD1 2.91Å; A45-I73 HydrophobicContact CB-CG1 4.25Å; F61-I73 HydrophobicContact CD2-CB 4.3Å; F61-I73 HydrophobicContact CE1-CB 4.45Å; F61-I73 HydrophobicContact CE2-CB 3.87Å; F61-I73 HydrophobicContact CZ-CB 3.95Å; I73-S75 VanDerWaalsContact C-N 3.26Å; I73-S75 PolarHBondContact O-N 2.92Å; I73-V76 HydrophobicContact CG1-CG1 4.31Å; I73-V76 WeakPolarHBondContact O-CG1 3.3Å; I73-V76 PolarHBondContact O-N 3.1Å; I73-A77 VanDerWaalsContact O-CB 3.3Å; I73-A77 WeakPolarHBondContact O-CB 3.28Å; I73-A77 PolarHBondContact O-N 3.33Å
74H90.3Very high88.4Confident139 Ų13971.3 Ų71.364%0.64440%0.398SS*.Hα-helixtrans-59.5-43.2-179.1-175.370.6000110.8T72 A77 C78T72-H74 VanDerWaalsContact C-N 3.26Å; T72-H74 PolarHBondContact O-N 3.03Å; H74-A77 PolarHBondContact O-N 3.2Å; H74-C78 WeakPolarHBondContact O-CB 3.35Å; H74-C78 PolarHBondContact O-N 2.98Å; H74-C78 PolarHBondContact O-SG 3.16Å; H74-C78 VanDerWaalsContact O-SG 3.36Å
75S91.4Very high87.4Confident23 Ų2376.8 Ų76.816%0.16140%0.402CS..Hα-helixtrans-66-42.9-179.966.10000113.2W70 T72 I73 H79W70-S75 WeakPolarHBondContact CB-OG 3.37Å; T72-S75 PolarHBondContact N-OG 3.1Å; T72-S75 PolarHBondContact O-N 3.38Å; T72-S75 PolarHBondContact O-OG 3.42Å; T72-S75 WeakPolarHBondContact OG1-CB 3.26Å; T72-S75 PolarHBondContact OG1-N 3.4Å; T72-S75 PolarHBondContact OG1-OG 3.07Å; I73-S75 VanDerWaalsContact C-N 3.26Å; I73-S75 PolarHBondContact O-N 2.92Å; S75-H79 WeakPolarHBondContact O-CB 3.32Å; S75-H79 PolarHBondContact O-N 2.94Å
76V91.9Very high86Confident0 Ų082.8 Ų82.80%042%0.422CS..Hα-helixtrans-67.2-36.2173.971.50000112Y29 F61 C63 W70 T72 I73 H79 Y80Y29-V76 HydrophobicContact CD1-CG1 4.11Å; Y29-V76 HydrophobicContact CD1-CG2 4.04Å; Y29-V76 HydrophobicContact CD2-CG1 3.8Å; Y29-V76 HydrophobicContact CE2-CG1 4.39Å; Y29-V76 HydrophobicContact CG-CB 4.5Å; Y29-V76 HydrophobicContact CG-CG1 3.65Å; Y29-V76 HydrophobicContact CG-CG2 4.04Å; F61-V76 HydrophobicContact CB-CB 3.86Å; F61-V76 HydrophobicContact CB-CG1 3.53Å; F61-V76 HydrophobicContact CB-CG2 4.18Å; F61-V76 HydrophobicContact CG-CG1 3.99Å; C63-V76 HydrophobicContact CB-CG2 4.22Å; W70-V76 HydrophobicContact CB-CB 3.83Å; W70-V76 HydrophobicContact CG-CB 3.84Å; W70-V76 HydrophobicContact CG-CG2 4.23Å; T72-V76 PolarHBondContact O-N 3.02Å; I73-V76 HydrophobicContact CG1-CG1 4.31Å; I73-V76 WeakPolarHBondContact O-CG1 3.3Å; I73-V76 PolarHBondContact O-N 3.1Å; V76-H79 CarbonylContact O-C 3.55Å; V76-H79 PolarHBondContact O-N 2.9Å; V76-Y80 VanDerWaalsContact O-CB 3.23Å; V76-Y80 WeakPolarHBondContact O-CB 2.94Å; V76-Y80 PolarHBondContact O-N 3Å
77A91.1Very high84.4Confident28 Ų2886.3 Ų86.323%0.23144%0.441CS..Hα-helixtrans-67-45.8-18000000111.6Y29 I73 H74 H79 Y80 S81Y29-A77 HydrophobicContact CE1-CB 4.29Å; Y29-A77 HydrophobicContact CE2-CB 4.33Å; Y29-A77 WeakPolarHBondContact OH-CB 3.47Å; I73-A77 VanDerWaalsContact O-CB 3.3Å; I73-A77 WeakPolarHBondContact O-CB 3.28Å; I73-A77 PolarHBondContact O-N 3.33Å; H74-A77 PolarHBondContact O-N 3.2Å; A77-H79 VanDerWaalsContact C-N 3.27Å; A77-H79 PolarHBondContact O-N 3.43Å; A77-Y80 PolarHBondContact O-N 3.1Å; A77-S81 PolarHBondContact O-N 3.25Å
78C89.9Confident82.7Confident55 Ų5586.4 Ų86.437%0.37245%0.447SS..Hα-helixtrans-59.3-40.5173-72.50000111.6H74 S81H74-C78 WeakPolarHBondContact O-CB 3.35Å; H74-C78 PolarHBondContact O-N 2.98Å; H74-C78 PolarHBondContact O-SG 3.16Å; H74-C78 VanDerWaalsContact O-SG 3.36Å; C78-S81 PolarHBondContact O-OG 3.4Å
79H90Very high81Confident32 Ų3286.3 Ų86.315%0.14845%0.446CS..Hα-helixtrans-69.5-48.9176.3170.473.6000112.6C63 C66 W70 S75 V76 A77 S81 K82 C83C63-H79 PolarHBondContact SG-CD2 2.96Å; C63-H79 PolarHBondContact SG-NE2 3.38Å; C63-H79 VanDerWaalsContact SG-NE2 3.44Å; C66-H79 PolarHBondContact SG-NE2 3.27Å; W70-H79 HydrophobicContact CD2-CB 4.35Å; W70-H79 AromaticContact CE2-CD2 3.81Å; W70-H79 AromaticContact CE2-CG 3.56Å; W70-H79 HydrophobicContact CH2-CB 3.86Å; W70-H79 HydrophobicContact CZ2-CB 3.36Å; W70-H79 AromaticContact CZ2-CD2 3.83Å; W70-H79 AromaticContact CZ2-CG 3.2Å; W70-H79 AromaticContact CZ2-ND1 3.4Å; W70-H79 WeakPolarHBondContact CZ2-ND1 3.32Å; W70-H79 AromaticContact NE1-CD2 3.43Å; W70-H79 PolarHBondContact NE1-CD2 3.48Å; W70-H79 AromaticContact NE1-CG 3.69Å; S75-H79 WeakPolarHBondContact O-CB 3.32Å; S75-H79 PolarHBondContact O-N 2.94Å; V76-H79 CarbonylContact O-C 3.55Å; V76-H79 PolarHBondContact O-N 2.9Å; A77-H79 VanDerWaalsContact C-N 3.27Å; A77-H79 PolarHBondContact O-N 3.43Å; H79-S81 PolarHBondContact O-N 3.09Å; H79-K82 CarbonylContact O-C 3.41Å; H79-K82 WeakPolarHBondContact O-CA 3.33Å; H79-K82 PolarHBondContact O-N 2.58Å; H79-C83 WeakPolarHBondContact NE2-CB 3.35Å; H79-C83 PolarHBondContact NE2-SG 3.3Å; H79-C83 VanDerWaalsContact NE2-SG 3.36Å; H79-C83 WeakPolarHBondContact O-CB 3.38Å; H79-C83 PolarHBondContact O-N 3.26Å
80Y88.9Confident79.1Confident71 Ų7187.5 Ų87.528%0.27846%0.461SS..Hα-helixtrans-55.7-37.8-174.8-177-96.1000112.7Y29 P30 K65 V76 A77 K82 C83Y29-Y80 HydrophobicContact CD1-CD1 4.42Å; Y29-Y80 HydrophobicContact CD1-CD2 4.01Å; Y29-Y80 AromaticContact CD1-CG 3.83Å; Y29-Y80 HydrophobicContact CD1-CG 3.83Å; Y29-Y80 AromaticContact CE1-CD1 3.94Å; Y29-Y80 HydrophobicContact CE1-CD1 3.94Å; Y29-Y80 HydrophobicContact CE1-CD2 4.34Å; Y29-Y80 AromaticContact CE1-CG 3.72Å; Y29-Y80 HydrophobicContact CE1-CG 3.72Å; P30-Y80 WeakPolarHBondContact CD-OH 3.31Å; P30-Y80 HydrophobicContact CG-CE1 4.29Å; P30-Y80 HydrophobicContact CG-CE2 4.38Å; K65-Y80 HydrophobicContact CD-CD2 4.29Å; K65-Y80 HydrophobicContact CD-CE2 4.03Å; K65-Y80 HydrophobicContact CG-CD2 4.38Å; K65-Y80 HydrophobicContact CG-CE2 3.88Å; K65-Y80 PolarHBondContact NZ-O 3.42Å; V76-Y80 VanDerWaalsContact O-CB 3.23Å; V76-Y80 WeakPolarHBondContact O-CB 2.94Å; V76-Y80 PolarHBondContact O-N 3Å; A77-Y80 PolarHBondContact O-N 3.1Å; Y80-K82 VanDerWaalsContact C-N 3.28Å; Y80-K82 PolarHBondContact O-N 3.3Å; Y80-C83 PolarHBondContact O-N 3.47Å
81S87.4Confident77.4Confident67 Ų6787.9 Ų87.947%0.46948%0.479SS..Hα-helixtrans-65.9-28174.770.40000113.3A77 C78 H79 R85A77-S81 PolarHBondContact O-N 3.25Å; C78-S81 PolarHBondContact O-OG 3.4Å; H79-S81 PolarHBondContact O-N 3.09Å; S81-R85 PolarHBondContact O-NH2 2.86Å
82K86.2Confident75.7Confident138 Ų13892.9 Ų92.960%0.649%0.486SS*.Hα-helixtrans-102.9-11.1179-62173.6-174.6177.90112.6H79 Y80 G84 R85H79-K82 CarbonylContact O-C 3.41Å; H79-K82 WeakPolarHBondContact O-CA 3.33Å; H79-K82 PolarHBondContact O-N 2.58Å; Y80-K82 VanDerWaalsContact C-N 3.28Å; Y80-K82 PolarHBondContact O-N 3.3Å; K82-G84 PolarHBondContact O-N 3.38Å; K82-R85 WeakPolarHBondContact O-CB 3.19Å; K82-R85 PolarHBondContact O-N 3.04Å; K82-R85 VanDerWaalsContact O-N 3.15Å
83C84.9Confident74.3Confident14 Ų1495.8 Ų95.810%0.09550%0.498CS..THydrogen-bonded Turntrans-68.3127-176.5-174.10000110.4K65 C66 H79 Y80 R85K65-C83 HydrophobicContact CB-CB 4.29Å; K65-C83 WeakPolarHBondContact CB-SG 3.1Å; K65-C83 HydrophobicContact CD-CB 3.93Å; K65-C83 WeakPolarHBondContact CD-O 3.44Å; K65-C83 PolarHBondContact NZ-O 3.14Å; C66-C83 PolarHBondContact SG-SG 2.91Å; H79-C83 WeakPolarHBondContact NE2-CB 3.35Å; H79-C83 PolarHBondContact NE2-SG 3.3Å; H79-C83 VanDerWaalsContact NE2-SG 3.36Å; H79-C83 WeakPolarHBondContact O-CB 3.38Å; H79-C83 PolarHBondContact O-N 3.26Å; Y80-C83 PolarHBondContact O-N 3.47Å; C83-R85 VanDerWaalsContact C-N 3.34Å
84G77.2Confident72.6Confident76 Ų7698 Ų9878%0.78452%0.516SS*.THydrogen-bonded Turntrans88.6-9.9-175.600000114.5K82 R86K82-G84 PolarHBondContact O-N 3.38Å; G84-R86 PolarHBondContact O-N 3.42Å
85R68.4Low71Confident166 Ų16697.5 Ų97.563%0.62653%0.525SS*.  trans-67.6111.8165.1-85.9-169.4-86.3-121.5-1.7107.3S81 K82 C83 V87S81-R85 PolarHBondContact O-NH2 2.86Å; K82-R85 WeakPolarHBondContact O-CB 3.19Å; K82-R85 PolarHBondContact O-N 3.04Å; K82-R85 VanDerWaalsContact O-N 3.15Å; C83-R85 VanDerWaalsContact C-N 3.34Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 2.72Å
86R56.3Low69.3Low235 Ų235102.4 Ų102.489%0.88755%0.548SS*.  trans-52.3111156.5-74-175.4179.2-116.90.5104.8G84 T88G84-R86 PolarHBondContact O-N 3.42Å; R86-T88 PolarHBondContact O-N 2.69Å
87V56Low67.3Low122 Ų122106.8 Ų106.874%0.73959%0.585SS**  trans-64.587.8163.2-178.20000103.2R85 R89R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 2.72Å; V87-R89 HydrophobicContact CG1-CG 4.03Å; V87-R89 PolarHBondContact O-N 2.94Å
88T50.1Low65.5Low122 Ų122110.4 Ų110.475%0.74860%0.599SS**  trans-57.299.814647.80000101.3R86 S90R86-T88 PolarHBondContact O-N 2.69Å; T88-S90 PolarHBondContact O-N 2.84Å
89R52.6Low63.9Low158 Ų158116.1 Ų116.160%0.59662%0.62SS**  trans-54.3100.6157.8-73.5175.964.9131.411.3100.8V87 A91 R92V87-R89 HydrophobicContact CG1-CG 4.03Å; V87-R89 PolarHBondContact O-N 2.94Å; R89-A91 VanDerWaalsContact C-N 3.3Å; R89-A91 PolarHBondContact O-N 3.47Å; R89-R92 VanDerWaalsContact NH2-CG 3.27Å
90S50.6Low62Low106 Ų106122.7 Ų122.774%0.74166%0.656SS**  trans-41.8115.7157.5-175.20000102.3T88 R92T88-S90 PolarHBondContact O-N 2.84Å; S90-R92 PolarHBondContact O-N 3.24Å
91A53.7Low60.4Low76 Ų76128.9 Ų128.963%0.62868%0.679SS**  trans-38.5136.2-166.100000107.7R89 L93R89-A91 VanDerWaalsContact C-N 3.3Å; R89-A91 PolarHBondContact O-N 3.47Å; A91-L93 PolarHBondContact O-N 3.37Å
92R53.4Low59Low198 Ų198129.9 Ų129.975%0.74768%0.684SS**  trans-49.1105.9171.5-71.1-171.5-152.6-1481.1103.8R89 S90R89-R92 VanDerWaalsContact NH2-CG 3.27Å; S90-R92 PolarHBondContact O-N 3.24Å
93L60Low58.2Low132 Ų132129.8 Ų129.869%0.69169%0.685SS**  trans-55.3131.7168.8-77164.8000102.1A91A91-L93 PolarHBondContact O-N 3.37Å
94P54.3Low57.9Low99 Ų99131.2 Ų131.264%0.64369%0.694SS**  trans-47.2141.9169.5-1.15.9000105.9I96P94-I96 VanDerWaalsContact C-N 3.3Å; P94-I96 PolarHBondContact O-N 3.09Å
95P56Low58.1Low130 Ų130130.9 Ų130.984%0.84468%0.676SS**  trans-47.1108.1174-20.329.7000105.8A97P95-A97 PolarHBondContact O-N 3.49Å
96I56.8Low59.1Low126 Ų126125.4 Ų125.465%0.64667%0.666SS**  trans-56.2123.3167.1-61.7167.5000100.6P94 I98P94-I96 VanDerWaalsContact C-N 3.3Å; P94-I96 PolarHBondContact O-N 3.09Å; I96-I98 PolarHBondContact O-N 2.75Å
97A49.3Very low60.7Low92 Ų92114.4 Ų114.476%0.7663%0.625SS**  trans-6087.9168.900000104.8P95 E99P95-A97 PolarHBondContact O-N 3.49Å; A97-E99 PolarHBondContact O-N 3.25Å
98I53.8Low62.2Low104 Ų104114 Ų11453%0.53362%0.624SS.*  trans-7193.6168.2-59.2164.7000100.3I96 D100I96-I98 PolarHBondContact O-N 2.75Å; I98-D100 PolarHBondContact O-N 3.35Å
99E56.3Low64Low174 Ų174111.3 Ų111.381%0.81361%0.605SS**  trans-40.3136.5161.7-71.9-162.1149.400107.3A97 R101A97-E99 PolarHBondContact O-N 3.25Å; E99-R101 PolarHBondContact O-N 3.06Å
100D49.7Very low65.7Low170 Ų170106.7 Ų106.791%0.90960%0.596SS**SBendtrans-48.571.7-176.4-70-56.5000112.9I98I98-D100 PolarHBondContact O-N 3.35Å
101R55.9Low67.5Low202 Ų202103.8 Ų103.876%0.76258%0.583SS**  trans-83.4124.4162.8-177172-85-149.8-3.2103.6E99 H103E99-R101 PolarHBondContact O-N 3.06Å; R101-H103 PolarHBondContact O-N 3.42Å; R101-H103 PolarHBondContact O-ND1 3.44Å
102P58.3Low69.1Low88 Ų88105.2 Ų105.257%0.57158%0.576SS**  trans-51.7117.2174.5-21.932000107T104P102-T104 WeakPolarHBondContact CB-OG1 3.49Å; P102-T104 PolarHBondContact O-N 2.57Å
103H67.7Low70.8Confident136 Ų136102 Ų10263%0.6357%0.57SS**SBendtrans-72.138173.2-74.376.7000109.9R101R101-H103 PolarHBondContact O-N 3.42Å; R101-H103 PolarHBondContact O-ND1 3.44Å
104T79.6Confident72.2Confident44 Ų4497.7 Ų97.727%0.2755%0.546SS..  trans-122.6124.5-174.853.10000107.7P102 Q113 F114 T115P102-T104 WeakPolarHBondContact CB-OG1 3.49Å; P102-T104 PolarHBondContact O-N 2.57Å; T104-Q113 HydrophobicContact CG2-CB 4.44Å; T104-Q113 PolarHBondContact OG1-OE1 2.87Å; T104-F114 CarbonylContact C-O 3.57Å; T104-F114 WeakPolarHBondContact CA-O 3.4Å; T104-T115 HydrophobicContact CG2-CG2 4.39Å
105V81.7Confident73.7Confident68 Ų6898.7 Ų98.741%0.41255%0.55SS..EExtended strand (participates in β ladder)trans-90.4119.3173.2-160.50000106.7F114 L120V105-F114 PolarHBondContact N-O 2.94Å; V105-F114 PolarHBondContact O-N 3.2Å; V105-L120 HydrophobicContact CB-CD2 3.87Å; V105-L120 HydrophobicContact CG1-CD2 3.34Å
106A89.5Confident75.2Confident51 Ų5196 Ų9642%0.42153%0.531SS..EExtended strand (participates in β ladder)trans-83.5145.8179.300000111.2E112 Q113A106-E112 CarbonylContact C-O 3.59Å; A106-E112 VanDerWaalsContact CA-O 3.26Å; A106-E112 WeakPolarHBondContact CA-O 3.33Å; A106-Q113 HydrophobicContact CB-CG 4.4Å
107C89.1Confident76.7Confident4 Ų493.3 Ų93.33%0.02753%0.528CS..PPolyproline II helixtrans-71130.7168.7-176.40000110.5D109 C110 G111 E112 F114 L120 H123C107-D109 PolarHBondContact O-N 3.3Å; C107-D109 PolarHBondContact SG-N 3.42Å; C107-D109 VanDerWaalsContact SG-N 3.35Å; C107-C110 VanDerWaalsContact CB-SG 3.59Å; C107-G111 WeakPolarHBondContact O-CA 3.38Å; C107-G111 PolarHBondContact O-N 2.95Å; C107-E112 PolarHBondContact N-O 3.29Å; C107-F114 HydrophobicContact CB-CE2 4.38Å; C107-L120 VanDerWaalsContact CA-CD1 3.43Å; C107-L120 HydrophobicContact CB-CD1 3.58Å; C107-H123 PolarHBondContact SG-NE2 3.37Å; C107-H123 VanDerWaalsContact SG-NE2 3.42Å
108T87.9Confident78.6Confident115 Ų11594.3 Ų94.371%0.70652%0.524SS*.THydrogen-bonded Turntrans-68.3-22.6175.951.20000113
109D87Confident80.3Confident64 Ų6490.3 Ų90.334%0.34251%0.509SS..THydrogen-bonded Turntrans-93.7-30.1-170.6-50.5-45.3000112C107 R124 H128C107-D109 PolarHBondContact O-N 3.3Å; C107-D109 PolarHBondContact SG-N 3.42Å; C107-D109 VanDerWaalsContact SG-N 3.35Å; D109-R124 IonicContact OD1-NH2 3.02Å; D109-R124 IonicContact OD2-CZ 2.96Å; D109-R124 IonicContact OD2-NE 3.56Å; D109-R124 PolarHBondContact OD2-NE 2.86Å; D109-R124 IonicContact OD2-NH2 2.7Å; D109-R124 PolarHBondContact OD2-NH2 2.84Å; D109-H128 HydrophobicContact CB-CB 4.13Å; D109-H128 VanDerWaalsContact CB-CG 3.47Å; D109-H128 IonicContact OD2-CD2 2.76Å; D109-H128 IonicContact OD2-CG 3.17Å
110C89.6Confident81.9Confident61 Ų6183.1 Ų83.141%0.41248%0.476SS..THydrogen-bonded Turntrans-133.6-8.7178.966.30000115.8C107 E112 H123 H128C107-C110 VanDerWaalsContact CB-SG 3.59Å; C110-E112 VanDerWaalsContact C-N 3.32Å; C110-E112 PolarHBondContact O-N 3.07Å; C110-H123 PolarHBondContact SG-CE1 3.33Å; C110-H123 PolarHBondContact SG-NE2 3.04Å; C110-H128 VanDerWaalsContact CB-NE2 3.33Å; C110-H128 WeakPolarHBondContact CB-NE2 3.44Å; C110-H128 PolarHBondContact SG-NE2 3.01Å
111G87.1Confident83.8Confident45 Ų4580.6 Ų80.646%0.46446%0.459SS..  trans79.71.1-179.100000116C107C107-G111 WeakPolarHBondContact O-CA 3.38Å; C107-G111 PolarHBondContact O-N 2.95Å
112E87.7Confident85.4Confident106 Ų10675.4 Ų75.450%0.49545%0.446SS..  trans-61137.9176.3-75.8-168.7169.100112A106 C107 C110 F114 H123A106-E112 CarbonylContact C-O 3.59Å; A106-E112 VanDerWaalsContact CA-O 3.26Å; A106-E112 WeakPolarHBondContact CA-O 3.33Å; C107-E112 PolarHBondContact N-O 3.29Å; C110-E112 VanDerWaalsContact C-N 3.32Å; C110-E112 PolarHBondContact O-N 3.07Å; E112-F114 HydrophobicContact CB-CE2 3.63Å; E112-F114 HydrophobicContact CB-CZ 3.84Å; E112-F114 WeakPolarHBondContact O-CD2 3.39Å; E112-F114 WeakPolarHBondContact O-CE2 3.31Å; E112-H123 IonicContact OE2-CE1 3.64Å; E112-H123 PolarHBondContact OE2-CE1 3.06Å; E112-H123 IonicContact OE2-CG 2.68Å; E112-H123 IonicContact OE2-ND1 2.64Å; E112-H123 PolarHBondContact OE2-ND1 3.26Å
113Q89.9Confident87.1Confident132 Ų13272 Ų7262%0.61742%0.423SS*.EExtended strand (participates in β ladder)trans-100.5129.6-173.5-68.7-17858.900111.4T104 A106T104-Q113 HydrophobicContact CG2-CB 4.44Å; T104-Q113 PolarHBondContact OG1-OE1 2.87Å; A106-Q113 HydrophobicContact CB-CG 4.4Å
114F88.6Confident88.2Confident41 Ų4167.3 Ų67.318%0.1840%0.399CS..EExtended strand (participates in β ladder)trans-123.6133.5-178-63.1-85.3000111.9T104 V105 C107 E112 T116 L120 H123T104-F114 CarbonylContact C-O 3.57Å; T104-F114 WeakPolarHBondContact CA-O 3.4Å; V105-F114 PolarHBondContact N-O 2.94Å; V105-F114 PolarHBondContact O-N 3.2Å; C107-F114 HydrophobicContact CB-CE2 4.38Å; E112-F114 HydrophobicContact CB-CE2 3.63Å; E112-F114 HydrophobicContact CB-CZ 3.84Å; E112-F114 WeakPolarHBondContact O-CD2 3.39Å; E112-F114 WeakPolarHBondContact O-CE2 3.31Å; F114-T116 PolarHBondContact O-N 3.38Å; F114-L120 HydrophobicContact CB-CB 4.06Å; F114-L120 HydrophobicContact CD2-CB 3.84Å; F114-L120 HydrophobicContact CD2-CD1 3.7Å; F114-L120 HydrophobicContact CD2-CG 4.38Å; F114-L120 HydrophobicContact CE2-CD1 3.95Å; F114-L120 HydrophobicContact CG-CB 4.05Å; F114-H123 HydrophobicContact CE1-CB 3.64Å; F114-H123 HydrophobicContact CE2-CB 3.76Å; F114-H123 AromaticContact CE2-CD2 3.78Å; F114-H123 AromaticContact CE2-CG 3.57Å; F114-H123 HydrophobicContact CZ-CB 3.21Å; F114-H123 AromaticContact CZ-CD2 3.87Å; F114-H123 AromaticContact CZ-CG 3.19Å; F114-H123 AromaticContact CZ-ND1 3.42Å; F114-H123 WeakPolarHBondContact CZ-ND1 3.43Å
115T86.4Confident88.7Confident119 Ų11972.5 Ų72.573%0.7341%0.414SS*.SBendtrans-68.7-11.1177.755.30000114.4T104T104-T115 HydrophobicContact CG2-CG2 4.39Å
116T87.5Confident89.2Confident74 Ų7473.4 Ų73.445%0.45442%0.423SS..SBendtrans-141.1147.318060.50000111.7F114 T118 G119 L120F114-T116 PolarHBondContact O-N 3.38Å; T116-T118 VanDerWaalsContact C-N 3.27Å; T116-T118 PolarHBondContact O-N 2.92Å; T116-G119 PolarHBondContact O-N 3.03Å; T116-G119 VanDerWaalsContact O-N 3.15Å; T116-G119 PolarHBondContact OG1-N 3.3Å; T116-L120 PolarHBondContact O-N 3.4Å; T116-L120 VanDerWaalsContact O-N 3.14Å
117A87.5Confident89.3Confident69 Ų6973.5 Ų73.557%0.5742%0.424SS*.Hα-helixtrans-61.1-36.3174.500000112.3G119 L120 Q121A117-G119 VanDerWaalsContact C-N 3.32Å; A117-G119 PolarHBondContact O-N 2.8Å; A117-L120 PolarHBondContact O-N 3.21Å; A117-Q121 WeakPolarHBondContact O-CB 3.35Å; A117-Q121 PolarHBondContact O-N 2.92Å
118T89Confident89.3Confident113 Ų11375.4 Ų75.469%0.69343%0.432SS*.Hα-helixtrans-62.2-40175-46.20000111.7T116 Q121 L122T116-T118 VanDerWaalsContact C-N 3.27Å; T116-T118 PolarHBondContact O-N 2.92Å; T118-Q121 PolarHBondContact O-N 3.26Å; T118-L122 WeakPolarHBondContact O-CB 3.38Å; T118-L122 PolarHBondContact O-N 3.32Å
119G89.6Confident89.3Confident21 Ų2173 Ų7322%0.21642%0.418CS..Hα-helixtrans-63.7-47176.100000112.1T116 A117 Q121 L122 H123T116-G119 PolarHBondContact O-N 3.03Å; T116-G119 VanDerWaalsContact O-N 3.15Å; T116-G119 PolarHBondContact OG1-N 3.3Å; A117-G119 VanDerWaalsContact C-N 3.32Å; A117-G119 PolarHBondContact O-N 2.8Å; G119-Q121 VanDerWaalsContact C-N 3.34Å; G119-Q121 PolarHBondContact O-N 2.88Å; G119-L122 PolarHBondContact O-N 2.94Å; G119-H123 PolarHBondContact O-N 2.85Å
120L91Very high89.3Confident23 Ų2378.1 Ų78.112%0.1244%0.44CS..Hα-helixtrans-58.9-45.3174.4171.960.9000111.8V105 C107 F114 T116 A117 L122 H123 R124V105-L120 HydrophobicContact CB-CD2 3.87Å; V105-L120 HydrophobicContact CG1-CD2 3.34Å; C107-L120 VanDerWaalsContact CA-CD1 3.43Å; C107-L120 HydrophobicContact CB-CD1 3.58Å; F114-L120 HydrophobicContact CB-CB 4.06Å; F114-L120 HydrophobicContact CD2-CB 3.84Å; F114-L120 HydrophobicContact CD2-CD1 3.7Å; F114-L120 HydrophobicContact CD2-CG 4.38Å; F114-L120 HydrophobicContact CE2-CD1 3.95Å; F114-L120 HydrophobicContact CG-CB 4.05Å; T116-L120 PolarHBondContact O-N 3.4Å; T116-L120 VanDerWaalsContact O-N 3.14Å; A117-L120 PolarHBondContact O-N 3.21Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L120-L122 PolarHBondContact O-N 3.01Å; L120-H123 PolarHBondContact O-N 3.42Å; L120-R124 HydrophobicContact CD1-CG 3.95Å; L120-R124 HydrophobicContact CG-CG 4.45Å; L120-R124 WeakPolarHBondContact O-CG 3.46Å; L120-R124 PolarHBondContact O-N 3.44Å
121Q88.9Confident89.2Confident117 Ų11776.6 Ų76.655%0.54743%0.432SS..Hα-helixtrans-64.1-38.2-179.7-175.9158.9-1.800112.3A117 T118 G119 R125 F132A117-Q121 WeakPolarHBondContact O-CB 3.35Å; A117-Q121 PolarHBondContact O-N 2.92Å; T118-Q121 PolarHBondContact O-N 3.26Å; G119-Q121 VanDerWaalsContact C-N 3.34Å; G119-Q121 PolarHBondContact O-N 2.88Å; Q121-R125 WeakPolarHBondContact O-CB 3.32Å; Q121-R125 PolarHBondContact O-N 3.08Å; Q121-R125 VanDerWaalsContact O-N 3.09Å; Q121-F132 HydrophobicContact CG-CE2 3.86Å; Q121-F132 HydrophobicContact CG-CZ 4.3Å
122L90.9Very high89.3Confident93 Ų9376.3 Ų76.349%0.48742%0.418SS..Hα-helixtrans-63.6-46.1173.6-179.961.4000111.2T118 G119 L120 R125 S126T118-L122 WeakPolarHBondContact O-CB 3.38Å; T118-L122 PolarHBondContact O-N 3.32Å; G119-L122 PolarHBondContact O-N 2.94Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L120-L122 PolarHBondContact O-N 3.01Å; L122-R125 PolarHBondContact O-N 3.3Å; L122-S126 PolarHBondContact O-N 2.78Å; L122-S126 VanDerWaalsContact O-N 3.11Å; L122-S126 PolarHBondContact O-OG 2.86Å
123H92Very high89.2Confident17 Ų1776 Ų768%0.07942%0.42CS..Hα-helixtrans-58.8-49.6176.116292000111.6C107 C110 E112 F114 G119 L120 R125 S126 A127 H128C107-H123 PolarHBondContact SG-NE2 3.37Å; C107-H123 VanDerWaalsContact SG-NE2 3.42Å; C110-H123 PolarHBondContact SG-CE1 3.33Å; C110-H123 PolarHBondContact SG-NE2 3.04Å; E112-H123 IonicContact OE2-CE1 3.64Å; E112-H123 PolarHBondContact OE2-CE1 3.06Å; E112-H123 IonicContact OE2-CG 2.68Å; E112-H123 IonicContact OE2-ND1 2.64Å; E112-H123 PolarHBondContact OE2-ND1 3.26Å; F114-H123 HydrophobicContact CE1-CB 3.64Å; F114-H123 HydrophobicContact CE2-CB 3.76Å; F114-H123 AromaticContact CE2-CD2 3.78Å; F114-H123 AromaticContact CE2-CG 3.57Å; F114-H123 HydrophobicContact CZ-CB 3.21Å; F114-H123 AromaticContact CZ-CD2 3.87Å; F114-H123 AromaticContact CZ-CG 3.19Å; F114-H123 AromaticContact CZ-ND1 3.42Å; F114-H123 WeakPolarHBondContact CZ-ND1 3.43Å; G119-H123 PolarHBondContact O-N 2.85Å; L120-H123 PolarHBondContact O-N 3.42Å; H123-R125 PolarHBondContact O-N 3.26Å; H123-S126 PolarHBondContact O-N 2.99Å; H123-S126 PolarHBondContact O-OG 3.47Å; H123-S126 VanDerWaalsContact O-OG 3.1Å; H123-A127 WeakPolarHBondContact O-CB 3.49Å; H123-A127 PolarHBondContact O-N 3.42Å; H123-H128 AromaticContact CE1-NE2 3.96Å; H123-H128 AromaticContact NE2-CD2 3.34Å; H123-H128 PolarHBondContact NE2-CD2 3.17Å; H123-H128 VanDerWaalsContact NE2-CD2 3.34Å; H123-H128 AromaticContact NE2-NE2 3.39Å; H123-H128 PolarHBondContact NE2-NE2 2.92Å
124R91.8Very high89Confident36 Ų3673.5 Ų73.514%0.13642%0.422CS..Hα-helixtrans-59.7-39179.3-69.3-168.278.1-157.5-2.3111.4D109 L120 S126 H128 F132 D135D109-R124 IonicContact OD1-NH2 3.02Å; D109-R124 IonicContact OD2-CZ 2.96Å; D109-R124 IonicContact OD2-NE 3.56Å; D109-R124 PolarHBondContact OD2-NE 2.86Å; D109-R124 IonicContact OD2-NH2 2.7Å; D109-R124 PolarHBondContact OD2-NH2 2.84Å; L120-R124 HydrophobicContact CD1-CG 3.95Å; L120-R124 HydrophobicContact CG-CG 4.45Å; L120-R124 WeakPolarHBondContact O-CG 3.46Å; L120-R124 PolarHBondContact O-N 3.44Å; R124-S126 VanDerWaalsContact C-N 3.32Å; R124-S126 PolarHBondContact O-N 3.13Å; R124-H128 CarbonylContact O-C 3.46Å; R124-H128 WeakPolarHBondContact O-CA 3.49Å; R124-H128 PolarHBondContact O-N 2.64Å; R124-F132 HydrophobicContact CB-CB 4.28Å; R124-F132 HydrophobicContact CB-CD2 3.86Å; R124-F132 HydrophobicContact CB-CG 4.43Å; R124-D135 IonicContact CZ-OD2 2.88Å; R124-D135 IonicContact NH1-OD2 3.17Å; R124-D135 PolarHBondContact NH1-OD2 3.31Å; R124-D135 IonicContact NH2-OD2 2.93Å; R124-D135 PolarHBondContact NH2-OD2 3.03Å
125R90.7Very high88.7Confident153 Ų15376.4 Ų76.458%0.57744%0.439SS*.Hα-helixtrans-64.4-33.9176.9-172.4177.167.5-177.83.6113.1Q121 L122 H123 F132Q121-R125 WeakPolarHBondContact O-CB 3.32Å; Q121-R125 PolarHBondContact O-N 3.08Å; Q121-R125 VanDerWaalsContact O-N 3.09Å; L122-R125 PolarHBondContact O-N 3.3Å; H123-R125 PolarHBondContact O-N 3.26Å; R125-F132 HydrophobicContact CB-CD1 4.14Å; R125-F132 HydrophobicContact CB-CE1 4.12Å; R125-F132 HydrophobicContact CB-CG 4.39Å; R125-F132 HydrophobicContact CB-CZ 4.38Å; R125-F132 HydrophobicContact CG-CD1 4.19Å; R125-F132 HydrophobicContact CG-CE1 4.03Å
126S92.4Very high88.4Confident88 Ų8879.2 Ų79.262%0.61544%0.437SS*.Hα-helixtrans-91.9-45.3-178.455.40000114.1L122 H123 R124L122-S126 PolarHBondContact O-N 2.78Å; L122-S126 VanDerWaalsContact O-N 3.11Å; L122-S126 PolarHBondContact O-OG 2.86Å; H123-S126 PolarHBondContact O-N 2.99Å; H123-S126 PolarHBondContact O-OG 3.47Å; H123-S126 VanDerWaalsContact O-OG 3.1Å; R124-S126 VanDerWaalsContact C-N 3.32Å; R124-S126 PolarHBondContact O-N 3.13Å
127A89.9Confident87.7Confident52 Ų5280.6 Ų80.643%0.4345%0.447SS..Hα-helixtrans-89.1-29.6-174.300000113H123 P129H123-A127 WeakPolarHBondContact O-CB 3.49Å; H123-A127 PolarHBondContact O-N 3.42Å; A127-P129 VanDerWaalsContact C-CD 3.42Å
128H89.8Confident86.9Confident44 Ų4488.1 Ų88.120%0.20446%0.46CS..  trans-129.456.1-176.5-55.4-66.2000112.1D109 C110 H123 R124 E130 A131 F132D109-H128 HydrophobicContact CB-CB 4.13Å; D109-H128 VanDerWaalsContact CB-CG 3.47Å; D109-H128 IonicContact OD2-CD2 2.76Å; D109-H128 IonicContact OD2-CG 3.17Å; C110-H128 VanDerWaalsContact CB-NE2 3.33Å; C110-H128 WeakPolarHBondContact CB-NE2 3.44Å; C110-H128 PolarHBondContact SG-NE2 3.01Å; H123-H128 AromaticContact CE1-NE2 3.96Å; H123-H128 AromaticContact NE2-CD2 3.34Å; H123-H128 PolarHBondContact NE2-CD2 3.17Å; H123-H128 VanDerWaalsContact NE2-CD2 3.34Å; H123-H128 AromaticContact NE2-NE2 3.39Å; H123-H128 PolarHBondContact NE2-NE2 2.92Å; R124-H128 CarbonylContact O-C 3.46Å; R124-H128 WeakPolarHBondContact O-CA 3.49Å; R124-H128 PolarHBondContact O-N 2.64Å; H128-E130 VanDerWaalsContact C-N 3.25Å; H128-E130 PolarHBondContact O-N 3.37Å; H128-A131 HydrophobicContact CB-CB 4.22Å; H128-A131 PolarHBondContact O-N 2.68Å; H128-F132 VanDerWaalsContact O-CB 3.26Å; H128-F132 WeakPolarHBondContact O-CB 3.45Å; H128-F132 PolarHBondContact O-N 3.4Å
129P88.1Confident86Confident64 Ų6489.9 Ų89.942%0.41646%0.461SS..Hα-helixtrans-59.9-34.7-173.225.2-34.9000112.8A127 N133A127-P129 VanDerWaalsContact C-CD 3.42Å; P129-N133 WeakPolarHBondContact O-CB 3.48Å; P129-N133 PolarHBondContact O-N 2.88Å; P129-N133 PolarHBondContact O-ND2 3.49Å
130E87.4Confident85.2Confident172 Ų17298.4 Ų98.480%0.80449%0.492SS*.Hα-helixtrans-67.6-51.7178.2-65.2-175.1174.300112H128 F132 N133 A134H128-E130 VanDerWaalsContact C-N 3.25Å; H128-E130 PolarHBondContact O-N 3.37Å; E130-F132 PolarHBondContact O-N 2.93Å; E130-N133 PolarHBondContact O-N 3.1Å; E130-A134 WeakPolarHBondContact O-CB 3.48Å; E130-A134 PolarHBondContact O-N 3.33Å
131A87.7Confident84.4Confident29 Ų29105.7 Ų105.724%0.2452%0.523CS..Hα-helixtrans-62.9-43.8178.300000111.4H128 N133 A134 D135H128-A131 HydrophobicContact CB-CB 4.22Å; H128-A131 PolarHBondContact O-N 2.68Å; A131-N133 VanDerWaalsContact C-N 3.3Å; A131-N133 PolarHBondContact O-N 3.11Å; A131-A134 PolarHBondContact O-N 3.15Å; A131-D135 PolarHBondContact O-N 3.33Å
132F87.7Confident84Confident40 Ų40104.7 Ų104.718%0.17553%0.529CS..Hα-helixtrans-59.3-40175.9-179.1-101.4000112.6Q121 R124 R125 H128 E130 R136Q121-F132 HydrophobicContact CG-CE2 3.86Å; Q121-F132 HydrophobicContact CG-CZ 4.3Å; R124-F132 HydrophobicContact CB-CB 4.28Å; R124-F132 HydrophobicContact CB-CD2 3.86Å; R124-F132 HydrophobicContact CB-CG 4.43Å; R125-F132 HydrophobicContact CB-CD1 4.14Å; R125-F132 HydrophobicContact CB-CE1 4.12Å; R125-F132 HydrophobicContact CB-CG 4.39Å; R125-F132 HydrophobicContact CB-CZ 4.38Å; R125-F132 HydrophobicContact CG-CD1 4.19Å; R125-F132 HydrophobicContact CG-CE1 4.03Å; H128-F132 VanDerWaalsContact O-CB 3.26Å; H128-F132 WeakPolarHBondContact O-CB 3.45Å; H128-F132 PolarHBondContact O-N 3.4Å; E130-F132 PolarHBondContact O-N 2.93Å; F132-R136 PolarHBondContact O-N 3.01Å
133N86.7Confident83.7Confident99 Ų99108.4 Ų108.453%0.52954%0.536SS..Hα-helixtrans-74.3-31.3177.5-73.8-28.1000112.9P129 E130 A131P129-N133 WeakPolarHBondContact O-CB 3.48Å; P129-N133 PolarHBondContact O-N 2.88Å; P129-N133 PolarHBondContact O-ND2 3.49Å; E130-N133 PolarHBondContact O-N 3.1Å; A131-N133 VanDerWaalsContact C-N 3.3Å; A131-N133 PolarHBondContact O-N 3.11Å
134A86Confident83.5Confident80 Ų80108.4 Ų108.466%0.66154%0.536SS*.Hα-helixtrans-69-40.8176.200000112E130 A131 R136E130-A134 WeakPolarHBondContact O-CB 3.48Å; E130-A134 PolarHBondContact O-N 3.33Å; A131-A134 PolarHBondContact O-N 3.15Å; A134-R136 PolarHBondContact O-N 3.27Å
135D82.6Confident83.5Confident101 Ų101109.2 Ų109.254%0.5455%0.547SS..Hα-helixtrans-71.1-18.5178.7-76.8-7.1000113.3R124 A131 P137R124-D135 IonicContact CZ-OD2 2.88Å; R124-D135 IonicContact NH1-OD2 3.17Å; R124-D135 PolarHBondContact NH1-OD2 3.31Å; R124-D135 IonicContact NH2-OD2 2.93Å; R124-D135 PolarHBondContact NH2-OD2 3.03Å; A131-D135 PolarHBondContact O-N 3.33Å; D135-P137 VanDerWaalsContact O-CD 3.27Å; D135-P137 WeakPolarHBondContact O-CD 3.36Å
136R80.1Confident83.5Confident179 Ų179109.5 Ų109.568%0.67555%0.554SS**SBendtrans-68.5119.6-179.4-166.8173.6-172.7-129.1-0.6109.3F132 A134 R138F132-R136 PolarHBondContact O-N 3.01Å; A134-R136 PolarHBondContact O-N 3.27Å; R136-R138 PolarHBondContact O-N 3.05Å
137P72.1Confident83.5Confident103 Ų103111 Ų11167%0.66955%0.55SS**  trans-58.6116.317522-30.6000108.6D135 E139D135-P137 VanDerWaalsContact O-CD 3.27Å; D135-P137 WeakPolarHBondContact O-CD 3.36Å; P137-E139 VanDerWaalsContact C-N 3.25Å; P137-E139 PolarHBondContact O-N 3.45Å
138R71Confident83.7Confident226 Ų226109.6 Ų109.685%0.85354%0.535SS*.  trans-73.187.7173.1-72.7-175.1173.8-155-0.1107.7R136 K140R136-R138 PolarHBondContact O-N 3.05Å; R138-K140 PolarHBondContact O-N 2.95Å
139E70.5Confident83.8Confident151 Ų151109 Ų10971%0.70653%0.534SS*.  trans-58.4100.2167.4-71179.8-172.300108.7P137 K141P137-E139 VanDerWaalsContact C-N 3.25Å; P137-E139 PolarHBondContact O-N 3.45Å; E139-K141 PolarHBondContact O-N 2.97Å
140K72.3Confident84.1Confident200 Ų200109.1 Ų109.187%0.8753%0.531SS*.  trans-7482.5170.4-69.1179.8-176.3173.90107.5R138 S142R138-K140 PolarHBondContact O-N 2.95Å; K140-S142 PolarHBondContact O-N 2.86Å
141K73.6Confident84.3Confident176 Ų176101.2 Ų101.277%0.76550%0.495SS*.  trans-58.3114.8171.1-66-178.2-179.8-177.30107.8E139 R143E139-K141 PolarHBondContact O-N 2.97Å; K141-R143 PolarHBondContact O-N 2.79Å
142S80Confident84.6Confident96 Ų9699.9 Ų99.967%0.67148%0.484SS*.  trans-56.4127.3175.9175.70000108.5K140 W144K140-S142 PolarHBondContact O-N 2.86Å; S142-W144 WeakPolarHBondContact CB-O 3.39Å; S142-W144 PolarHBondContact O-N 3.41Å; S142-W144 VanDerWaalsContact O-N 3.13Å; S142-W144 PolarHBondContact OG-N 3.01Å; S142-W144 PolarHBondContact OG-O 2.85Å
143R85.3Confident84.8Confident171 Ų17198 Ų9865%0.64548%0.475SS*.SBendtrans-60.3-24.1-179.8-176172.2-176.784.22.8112.6K141 R182 M186K141-R143 PolarHBondContact O-N 2.79Å; R143-R182 PolarHBondContact O-NH2 3.26Å; R143-M186 HydrophobicContact CG-CE 3.97Å; R143-M186 PolarHBondContact NE-SD 3.3Å; R143-M186 PolarHBondContact NH2-SD 2.63Å
144W88.4Confident85.2Confident17 Ų1795.7 Ų95.76%0.06447%0.465CS..SBendtrans-116.9128.8177.2-72.277.2000109.4S142 E148 V149 L152 R182 M186 I187 Q190S142-W144 WeakPolarHBondContact CB-O 3.39Å; S142-W144 PolarHBondContact O-N 3.41Å; S142-W144 VanDerWaalsContact O-N 3.13Å; S142-W144 PolarHBondContact OG-N 3.01Å; S142-W144 PolarHBondContact OG-O 2.85Å; W144-E148 WeakPolarHBondContact CA-OE2 3.47Å; W144-E148 HydrophobicContact CE3-CB 3.69Å; W144-E148 HydrophobicContact CZ3-CB 4.19Å; W144-V149 HydrophobicContact CB-CG2 3.77Å; W144-V149 HydrophobicContact CE3-CG2 4.26Å; W144-V149 HydrophobicContact CG-CG2 4.48Å; W144-L152 HydrophobicContact CH2-CD2 3.83Å; W144-L152 HydrophobicContact CZ3-CB 4.28Å; W144-L152 HydrophobicContact CZ3-CD2 3.89Å; W144-R182 HydrophobicContact CH2-CB 4.09Å; W144-R182 HydrophobicContact CH2-CG 3.91Å; W144-R182 HydrophobicContact CZ2-CB 4.32Å; W144-R182 HydrophobicContact CZ2-CG 4.25Å; W144-R182 HydrophobicContact CZ3-CG 4.33Å; W144-M186 HydrophobicContact CZ2-CB 4.06Å; W144-M186 HydrophobicContact CZ2-CE 4.29Å; W144-I187 HydrophobicContact CH2-CG1 4.01Å; W144-I187 HydrophobicContact CZ2-CG1 4.4Å; W144-Q190 HydrophobicContact CD2-CG 3.58Å; W144-Q190 HydrophobicContact CE3-CG 4.09Å; W144-Q190 HydrophobicContact CG-CG 3.98Å; W144-Q190 HydrophobicContact CH2-CG 4.13Å; W144-Q190 HydrophobicContact CZ2-CB 4.39Å; W144-Q190 HydrophobicContact CZ2-CG 3.59Å; W144-Q190 HydrophobicContact CZ3-CG 4.35Å
145S90.4Very high85.4Confident53 Ų5392 Ų9237%0.37143%0.434SS..  trans-73.2157.116977.30000109.8F147 E148 V149S145-F147 PolarHBondContact O-N 2.79Å; S145-E148 PolarHBondContact N-OE2 2.96Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 VanDerWaalsContact O-N 3.15Å; S145-E148 WeakPolarHBondContact OG-CG 3.39Å; S145-E148 PolarHBondContact OG-N 2.83Å; S145-E148 VanDerWaalsContact OG-N 3.1Å; S145-V149 WeakPolarHBondContact O-CG2 3.38Å; S145-V149 PolarHBondContact O-N 3.19Å; S145-V149 VanDerWaalsContact O-N 3.11Å
146Q91.5Very high85.7Confident158 Ų15888.7 Ų88.774%0.73842%0.416SS*.Hα-helixtrans-57.3-40.4175.4-177178.9-2.800111.4E148 V149 L150Q146-E148 PolarHBondContact O-N 3.2Å; Q146-V149 PolarHBondContact O-N 3.09Å; Q146-L150 HydrophobicContact CG-CD1 4.04Å; Q146-L150 WeakPolarHBondContact O-CG 3.2Å; Q146-L150 PolarHBondContact O-N 3.1Å
147F93.1Very high86.2Confident121 Ų12181.1 Ų81.153%0.53139%0.391SS..Hα-helixtrans-58.3-46.3175175.1-100.2000112.2S145 V149 L150 A151 H178 L180S145-F147 PolarHBondContact O-N 2.79Å; F147-V149 VanDerWaalsContact C-N 3.33Å; F147-V149 PolarHBondContact O-N 3.09Å; F147-L150 PolarHBondContact O-N 3.45Å; F147-A151 WeakPolarHBondContact O-CB 3.45Å; F147-A151 PolarHBondContact O-N 2.85Å; F147-H178 AromaticContact CZ-ND1 3.69Å; F147-L180 HydrophobicContact CD1-CD1 4.43Å; F147-L180 HydrophobicContact CE1-CD1 4.11Å
148E92.9Very high86.9Confident21 Ų2180.9 Ų80.910%0.09838%0.381CS..Hα-helixtrans-64.6-37.5179.7-70.8173.1-179.700112.7W144 S145 Q146 L152 L180 R182W144-E148 WeakPolarHBondContact CA-OE2 3.47Å; W144-E148 HydrophobicContact CE3-CB 3.69Å; W144-E148 HydrophobicContact CZ3-CB 4.19Å; S145-E148 PolarHBondContact N-OE2 2.96Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 VanDerWaalsContact O-N 3.15Å; S145-E148 WeakPolarHBondContact OG-CG 3.39Å; S145-E148 PolarHBondContact OG-N 2.83Å; S145-E148 VanDerWaalsContact OG-N 3.1Å; Q146-E148 PolarHBondContact O-N 3.2Å; E148-L152 WeakPolarHBondContact O-CB 3.49Å; E148-L152 PolarHBondContact O-N 2.96Å; E148-L180 HydrophobicContact CB-CD1 4.42Å; E148-L180 HydrophobicContact CG-CD1 3.74Å; E148-L180 HydrophobicContact CG-CD2 4.08Å; E148-R182 IonicContact OE1-CZ 3.37Å; E148-R182 IonicContact OE1-NE 3.04Å; E148-R182 IonicContact OE1-NH2 3.44Å; E148-R182 PolarHBondContact OE1-NH2 2.9Å; E148-R182 IonicContact OE2-CZ 3.67Å; E148-R182 VanDerWaalsContact OE2-CZ 3.29Å; E148-R182 IonicContact OE2-NE 3.61Å; E148-R182 PolarHBondContact OE2-NE 3.32Å; E148-R182 IonicContact OE2-NH2 3.29Å; E148-R182 PolarHBondContact OE2-NH2 2.86Å
149V93.3Very high87.6Confident31 Ų3171.1 Ų71.119%0.18835%0.346CS..Hα-helixtrans-65.9-44.8176.71770000110.4W144 S145 Q146 F147 A153 Y196 L199W144-V149 HydrophobicContact CB-CG2 3.77Å; W144-V149 HydrophobicContact CE3-CG2 4.26Å; W144-V149 HydrophobicContact CG-CG2 4.48Å; S145-V149 WeakPolarHBondContact O-CG2 3.38Å; S145-V149 PolarHBondContact O-N 3.19Å; S145-V149 VanDerWaalsContact O-N 3.11Å; Q146-V149 PolarHBondContact O-N 3.09Å; F147-V149 VanDerWaalsContact C-N 3.33Å; F147-V149 PolarHBondContact O-N 3.09Å; V149-A153 WeakPolarHBondContact O-CB 3.4Å; V149-A153 PolarHBondContact O-N 3.15Å; V149-Y196 HydrophobicContact CG1-CD2 4.04Å; V149-L199 HydrophobicContact CG1-CD2 3.9Å
150L93.7Very high88Confident67 Ų6768.2 Ų68.235%0.35134%0.34SS..Hα-helixtrans-63.5-49.6177.4-75.1166000111.5Q146 F147 L152 A153 T154 L199Q146-L150 HydrophobicContact CG-CD1 4.04Å; Q146-L150 WeakPolarHBondContact O-CG 3.2Å; Q146-L150 PolarHBondContact O-N 3.1Å; F147-L150 PolarHBondContact O-N 3.45Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 3.18Å; L150-A153 PolarHBondContact O-N 2.87Å; L150-A153 VanDerWaalsContact O-N 3.07Å; L150-T154 PolarHBondContact O-N 2.72Å; L150-T154 PolarHBondContact O-OG1 3.24Å; L150-T154 VanDerWaalsContact O-OG1 3.1Å; L150-L199 HydrophobicContact CD2-CD1 3.81Å; L150-L199 HydrophobicContact CD2-CD2 3.9Å; L150-L199 HydrophobicContact CD2-CG 4.3Å
151A92.5Very high88.1Confident7 Ų770.1 Ų70.16%0.05834%0.342CS..Hα-helixtrans-54.8-47.5177.300000111.7F147 A153 T154 L155 L174F147-A151 WeakPolarHBondContact O-CB 3.45Å; F147-A151 PolarHBondContact O-N 2.85Å; A151-A153 VanDerWaalsContact C-N 3.34Å; A151-A153 PolarHBondContact O-N 3.46Å; A151-T154 PolarHBondContact O-N 3.13Å; A151-L155 VanDerWaalsContact O-CG 3.26Å; A151-L155 WeakPolarHBondContact O-CG 3.26Å; A151-L155 PolarHBondContact O-N 3.21Å; A151-L155 VanDerWaalsContact O-N 3.1Å; A151-L174 HydrophobicContact CB-CD2 4.05Å
152L92.9Very high88.2Confident0 Ų069.2 Ų69.20%035%0.345CS..Hα-helixtrans-61.1-43.2176.7-176.972.7000111.7W144 E148 L150 L155 E156 L170 L174 I187 Q190 Y196W144-L152 HydrophobicContact CH2-CD2 3.83Å; W144-L152 HydrophobicContact CZ3-CB 4.28Å; W144-L152 HydrophobicContact CZ3-CD2 3.89Å; E148-L152 WeakPolarHBondContact O-CB 3.49Å; E148-L152 PolarHBondContact O-N 2.96Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 3.18Å; L152-L155 PolarHBondContact O-N 2.85Å; L152-E156 PolarHBondContact O-N 3.31Å; L152-L170 HydrophobicContact CD1-CB 3.85Å; L152-L170 HydrophobicContact CD1-CD1 4.08Å; L152-L170 HydrophobicContact CD1-CD2 4.17Å; L152-L170 HydrophobicContact CD1-CG 4.26Å; L152-L174 HydrophobicContact CB-CD1 4.24Å; L152-L174 HydrophobicContact CB-CD2 4.31Å; L152-L174 HydrophobicContact CD1-CD1 3.43Å; L152-L174 VanDerWaalsContact CD1-CD1 3.43Å; L152-L174 HydrophobicContact CD1-CG 4.03Å; L152-L174 HydrophobicContact CG-CD1 4.36Å; L152-I187 HydrophobicContact CD1-CG1 4.22Å; L152-I187 HydrophobicContact CD1-CG2 3.79Å; L152-I187 HydrophobicContact CD2-CG2 4.17Å; L152-Q190 HydrophobicContact CD2-CB 4.03Å; L152-Y196 HydrophobicContact CB-CE2 4.16Å; L152-Y196 HydrophobicContact CD2-CE2 3.67Å; L152-Y196 HydrophobicContact CG-CE2 3.91Å; L152-Y196 WeakPolarHBondContact CG-OH 3.21Å; L152-Y196 PolarHBondContact O-OH 3.22Å
153A92.9Very high88.2Confident0 Ų067 Ų670%033%0.326CS..Hα-helixtrans-67.2-39-179.600000112.8V149 L150 A151 E156 A157 Y196 L199 V200 I203V149-A153 WeakPolarHBondContact O-CB 3.4Å; V149-A153 PolarHBondContact O-N 3.15Å; L150-A153 PolarHBondContact O-N 2.87Å; L150-A153 VanDerWaalsContact O-N 3.07Å; A151-A153 VanDerWaalsContact C-N 3.34Å; A151-A153 PolarHBondContact O-N 3.46Å; A153-E156 PolarHBondContact O-N 3.33Å; A153-A157 WeakPolarHBondContact O-CB 3.4Å; A153-A157 PolarHBondContact O-N 3.03Å; A153-Y196 HydrophobicContact CB-CD2 4.34Å; A153-Y196 HydrophobicContact CB-CE2 3.74Å; A153-L199 HydrophobicContact CB-CD2 3.71Å; A153-L199 HydrophobicContact CB-CG 3.91Å; A153-V200 HydrophobicContact CB-CG2 3.78Å; A153-I203 HydrophobicContact CB-CD1 3.77Å
154T93.1Very high87.9Confident52 Ų5264.5 Ų64.532%0.31933%0.329SS..Hα-helixtrans-63-45.8175.1-58.80000111.2L150 A151 E156 A157 E158L150-T154 PolarHBondContact O-N 2.72Å; L150-T154 PolarHBondContact O-OG1 3.24Å; L150-T154 VanDerWaalsContact O-OG1 3.1Å; A151-T154 PolarHBondContact O-N 3.13Å; T154-E156 VanDerWaalsContact C-N 3.32Å; T154-E156 PolarHBondContact O-N 3.33Å; T154-A157 WeakPolarHBondContact O-CB 3.43Å; T154-A157 PolarHBondContact O-N 2.94Å; T154-A157 VanDerWaalsContact O-N 3.16Å; T154-E158 WeakPolarHBondContact O-CG 3.39Å; T154-E158 PolarHBondContact O-N 2.73Å
155L90.5Very high87.8Confident2 Ų268.9 Ų68.91%0.0135%0.354CS..Hα-helixtrans-63.7-37.9177-63.7173.4000112.2A151 L152 A157 E158 L159 L170 Q173 L174 K177A151-L155 VanDerWaalsContact O-CG 3.26Å; A151-L155 WeakPolarHBondContact O-CG 3.26Å; A151-L155 PolarHBondContact O-N 3.21Å; A151-L155 VanDerWaalsContact O-N 3.1Å; L152-L155 PolarHBondContact O-N 2.85Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-E158 PolarHBondContact O-N 2.9Å; L155-L159 VanDerWaalsContact O-CD1 3.29Å; L155-L159 WeakPolarHBondContact O-CD1 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.27Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.4Å; L155-L170 HydrophobicContact CB-CD2 3.72Å; L155-Q173 HydrophobicContact CD1-CB 3.87Å; L155-Q173 HydrophobicContact CD2-CB 4.35Å; L155-L174 HydrophobicContact CD1-CD2 3.83Å; L155-L174 HydrophobicContact CD1-CG 3.95Å; L155-K177 HydrophobicContact CD2-CD 3.42Å; L155-K177 VanDerWaalsContact CD2-CD 3.42Å
156E90.5Very high87.6Confident31 Ų3167.9 Ų67.915%0.14535%0.346CS..Hα-helixtrans-67.3-34.5174.4-173166.3177.600113L152 A153 T154 L159 L170 R191 Y196 V200L152-E156 PolarHBondContact O-N 3.31Å; A153-E156 PolarHBondContact O-N 3.33Å; T154-E156 VanDerWaalsContact C-N 3.32Å; T154-E156 PolarHBondContact O-N 3.33Å; E156-L159 PolarHBondContact O-N 3.3Å; E156-L170 HydrophobicContact CB-CD1 4.27Å; E156-L170 HydrophobicContact CB-CD2 4.09Å; E156-L170 HydrophobicContact CG-CD1 4.49Å; E156-R191 IonicContact OE1-CZ 3.22Å; E156-R191 IonicContact OE1-NE 2.94Å; E156-R191 PolarHBondContact OE1-NE 2.89Å; E156-R191 IonicContact OE1-NH2 2.69Å; E156-R191 PolarHBondContact OE1-NH2 2.92Å; E156-R191 WeakPolarHBondContact OE2-CD 3.37Å; E156-R191 WeakPolarHBondContact OE2-CG 3.4Å; E156-R191 IonicContact OE2-CZ 3.82Å; E156-R191 IonicContact OE2-NE 2.86Å; E156-R191 PolarHBondContact OE2-NE 3.29Å; E156-Y196 WeakPolarHBondContact OE2-CE1 3.35Å; E156-Y196 VanDerWaalsContact OE2-CZ 3.25Å; E156-Y196 PolarHBondContact OE2-OH 3.28Å; E156-V200 HydrophobicContact CB-CG2 4.24Å; E156-V200 HydrophobicContact CG-CG1 4.2Å; E156-V200 HydrophobicContact CG-CG2 4.38Å
157A89.4Confident87.5Confident20 Ų2062 Ų6217%0.16532%0.319CS..Hα-helixtrans-69-34175.400000112.8A153 T154 L155 L159 V200 I203 Q204A153-A157 WeakPolarHBondContact O-CB 3.4Å; A153-A157 PolarHBondContact O-N 3.03Å; T154-A157 WeakPolarHBondContact O-CB 3.43Å; T154-A157 PolarHBondContact O-N 2.94Å; T154-A157 VanDerWaalsContact O-N 3.16Å; L155-A157 VanDerWaalsContact C-N 3.34Å; A157-L159 VanDerWaalsContact C-N 3.33Å; A157-V200 HydrophobicContact CB-CG1 4.5Å; A157-I203 HydrophobicContact CB-CB 4.01Å; A157-I203 HydrophobicContact CB-CG2 3.51Å; A157-Q204 HydrophobicContact CB-CG 3.68Å
158E86.9Confident87.3Confident99 Ų9960.3 Ų60.346%0.46331%0.313SS..Hα-helixtrans-73.1-22176.4-72.1174.2-170.400113.3T154 L155 P160 K177T154-E158 WeakPolarHBondContact O-CG 3.39Å; T154-E158 PolarHBondContact O-N 2.73Å; L155-E158 PolarHBondContact O-N 2.9Å; E158-P160 WeakPolarHBondContact O-CD 3.31Å; E158-K177 IonicContact OE1-NZ 3.9Å; E158-K177 IonicContact OE2-NZ 2.73Å; E158-K177 PolarHBondContact OE2-NZ 2.81Å
159L85.3Confident87.2Confident21 Ų2161 Ų6111%0.1132%0.319CS..SBendtrans-75.9131.3-174.8-81.6157.7000112.2L155 E156 A157 R161 I163 V169 L170L155-L159 VanDerWaalsContact O-CD1 3.29Å; L155-L159 WeakPolarHBondContact O-CD1 3.47Å; L155-L159 VanDerWaalsContact O-CG 3.27Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.4Å; E156-L159 PolarHBondContact O-N 3.3Å; A157-L159 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.17Å; L159-I163 HydrophobicContact CB-CD1 4.12Å; L159-I163 HydrophobicContact CD2-CD1 3.29Å; L159-I163 HydrophobicContact CG-CD1 4.32Å; L159-V169 HydrophobicContact CD1-CG1 4.35Å; L159-V169 HydrophobicContact CD2-CG1 3.68Å; L159-L170 HydrophobicContact CD1-CD2 3.48Å; L159-L170 VanDerWaalsContact CD1-CD2 3.48Å; L159-L170 HydrophobicContact CD1-CG 3.89Å
160P78.7Confident87Confident90 Ų9059.6 Ų59.658%0.58431%0.31SS*.  trans-51.7136.7169.4-2728.1000112.9E158 N162 I163E158-P160 WeakPolarHBondContact O-CD 3.31Å; P160-N162 PolarHBondContact O-N 3.35Å; P160-I163 HydrophobicContact CB-CD1 3.98Å; P160-I163 HydrophobicContact CB-CG1 4.18Å; P160-I163 VanDerWaalsContact CD-CD1 3.5Å; P160-I163 HydrophobicContact CG-CD1 3.94Å; P160-I163 WeakPolarHBondContact O-CG1 3.29Å; P160-I163 PolarHBondContact O-N 3.4Å
161R74.6Confident86.9Confident239 Ų23957.8 Ų57.890%0.90230%0.303SS*.THydrogen-bonded Turntrans-57.9-19.7-176-64.5-178.7-177.6179.61.4114.4L159L159-R161 PolarHBondContact O-N 3.17Å
162N77.1Confident86.8Confident157 Ų15765.1 Ų65.184%0.8433%0.329SS*.THydrogen-bonded Turntrans-101.929.5-172.8-159.19.8000114.2P160P160-N162 PolarHBondContact O-N 3.35Å
163I78.1Confident86.7Confident51 Ų5167.7 Ų67.726%0.26234%0.341SS..  trans-89.9126.4-177.3-70.7173.6000111.4L159 P160 V166 V169L159-I163 HydrophobicContact CB-CD1 4.12Å; L159-I163 HydrophobicContact CD2-CD1 3.29Å; L159-I163 HydrophobicContact CG-CD1 4.32Å; P160-I163 HydrophobicContact CB-CD1 3.98Å; P160-I163 HydrophobicContact CB-CG1 4.18Å; P160-I163 VanDerWaalsContact CD-CD1 3.5Å; P160-I163 HydrophobicContact CG-CD1 3.94Å; P160-I163 WeakPolarHBondContact O-CG1 3.29Å; P160-I163 PolarHBondContact O-N 3.4Å; I163-V166 HydrophobicContact CB-CG2 4.45Å; I163-V166 HydrophobicContact CG2-CG2 4.38Å; I163-V166 WeakPolarHBondContact O-CG2 3.27Å; I163-V169 HydrophobicContact CG2-CG2 4.09Å
164V80.5Confident86.6Confident118 Ų11867.7 Ų67.772%0.71534%0.341SS*.THydrogen-bonded Turntrans-73.2146.3167.3-67.10000110.5V166V164-V166 PolarHBondContact O-N 3.1Å
165N84.8Confident86.6Confident108 Ų10871.1 Ų71.158%0.57835%0.352SS*.THydrogen-bonded Turntrans58.339.4176.9-61-29.8000115.4N167 Q168 V169N165-N167 PolarHBondContact O-N 3.43Å; N165-Q168 HydrophobicContact CB-CB 4.42Å; N165-Q168 HydrophobicContact CB-CG 4.5Å; N165-Q168 PolarHBondContact O-N 3.36Å; N165-V169 PolarHBondContact O-N 3.42Å
166V87.2Confident86.6Confident33 Ų3376.8 Ų76.820%0.238%0.382CS..Hα-helixtrans-43.9-41.3-179.7-174.10000113.7I163 V164 Q168 V169 L170I163-V166 HydrophobicContact CB-CG2 4.45Å; I163-V166 HydrophobicContact CG2-CG2 4.38Å; I163-V166 WeakPolarHBondContact O-CG2 3.27Å; V164-V166 PolarHBondContact O-N 3.1Å; V166-Q168 PolarHBondContact O-N 3Å; V166-V169 PolarHBondContact O-N 3.37Å; V166-L170 HydrophobicContact CG1-CD1 3.81Å; V166-L170 HydrophobicContact CG1-CG 4.23Å; V166-L170 WeakPolarHBondContact O-CB 3.23Å; V166-L170 WeakPolarHBondContact O-CG 3.45Å; V166-L170 PolarHBondContact O-N 3.23Å
167N88.6Confident86.5Confident34 Ų3481 Ų8118%0.18240%0.4CS..Hα-helixtrans-66-35.1-178.7-61.1-32.2000113.6N165 S171 V184 R191N165-N167 PolarHBondContact O-N 3.43Å; N167-S171 WeakPolarHBondContact O-CB 3.5Å; N167-S171 PolarHBondContact O-N 3.44Å; N167-S171 VanDerWaalsContact O-N 3.1Å; N167-V184 HydrophobicContact CB-CG1 3.56Å; N167-R191 WeakPolarHBondContact OD1-CD 3.47Å; N167-R191 PolarHBondContact OD1-NH1 3.21Å
168Q90.1Very high86.5Confident86 Ų8683.5 Ų83.540%0.40241%0.408SS..Hα-helixtrans-73-38.7177.6-66.6178.65.100110.5N165 V166 S171 R172 V184N165-Q168 HydrophobicContact CB-CB 4.42Å; N165-Q168 HydrophobicContact CB-CG 4.5Å; N165-Q168 PolarHBondContact O-N 3.36Å; V166-Q168 PolarHBondContact O-N 3Å; Q168-S171 WeakPolarHBondContact O-CB 3.46Å; Q168-S171 PolarHBondContact O-N 3.44Å; Q168-R172 PolarHBondContact O-N 2.77Å; Q168-R172 VanDerWaalsContact O-N 3.1Å; Q168-V184 HydrophobicContact CG-CG1 4.36Å; Q168-V184 HydrophobicContact CG-CG2 4.26Å
169V89.9Confident86.5Confident36 Ų3681.5 Ų81.522%0.21841%0.414CS..Hα-helixtrans-62.7-47.8175.9-179.60000110.6L159 I163 N165 V166 S171 R172 Q173L159-V169 HydrophobicContact CD1-CG1 4.35Å; L159-V169 HydrophobicContact CD2-CG1 3.68Å; I163-V169 HydrophobicContact CG2-CG2 4.09Å; N165-V169 PolarHBondContact O-N 3.42Å; V166-V169 PolarHBondContact O-N 3.37Å; V169-S171 VanDerWaalsContact C-N 3.3Å; V169-S171 PolarHBondContact O-N 2.78Å; V169-R172 PolarHBondContact O-N 3.06Å; V169-Q173 HydrophobicContact CG1-CG 4.38Å; V169-Q173 WeakPolarHBondContact O-CG 3.42Å; V169-Q173 PolarHBondContact O-N 3.01Å
170L90.4Very high86.6Confident0 Ų082 Ų820%042%0.417CS..Hα-helixtrans-61.2-37.4176.2-73.5171.3000112.7L152 L155 E156 L159 V166 L174 I187L152-L170 HydrophobicContact CD1-CB 3.85Å; L152-L170 HydrophobicContact CD1-CD1 4.08Å; L152-L170 HydrophobicContact CD1-CD2 4.17Å; L152-L170 HydrophobicContact CD1-CG 4.26Å; L155-L170 HydrophobicContact CB-CD2 3.72Å; E156-L170 HydrophobicContact CB-CD1 4.27Å; E156-L170 HydrophobicContact CB-CD2 4.09Å; E156-L170 HydrophobicContact CG-CD1 4.49Å; L159-L170 HydrophobicContact CD1-CD2 3.48Å; L159-L170 VanDerWaalsContact CD1-CD2 3.48Å; L159-L170 HydrophobicContact CD1-CG 3.89Å; V166-L170 HydrophobicContact CG1-CD1 3.81Å; V166-L170 HydrophobicContact CG1-CG 4.23Å; V166-L170 WeakPolarHBondContact O-CB 3.23Å; V166-L170 WeakPolarHBondContact O-CG 3.45Å; V166-L170 PolarHBondContact O-N 3.23Å; L170-L174 VanDerWaalsContact O-CB 3.26Å; L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 3.37Å; L170-I187 HydrophobicContact CB-CG2 4.17Å; L170-I187 HydrophobicContact CD1-CG2 4.15Å
171S90.6Very high87.1Confident30 Ų3082.4 Ų82.421%0.2142%0.422CS..Hα-helixtrans-62.2-43.6175.9-1730000111.8N167 Q168 V169 F175 R182 I187N167-S171 WeakPolarHBondContact O-CB 3.5Å; N167-S171 PolarHBondContact O-N 3.44Å; N167-S171 VanDerWaalsContact O-N 3.1Å; Q168-S171 WeakPolarHBondContact O-CB 3.46Å; Q168-S171 PolarHBondContact O-N 3.44Å; V169-S171 VanDerWaalsContact C-N 3.3Å; V169-S171 PolarHBondContact O-N 2.78Å; S171-F175 PolarHBondContact O-N 3.36Å; S171-R182 PolarHBondContact OG-O 3.05Å; S171-I187 VanDerWaalsContact CA-CD1 3.47Å
172R91.2Very high87.8Confident161 Ų16173.8 Ų73.861%0.60839%0.389SS*.Hα-helixtrans-67-50.1175.9-67.2179.3-166.2157.84111.5Q168 V169 L174 F175 D176Q168-R172 PolarHBondContact O-N 2.77Å; Q168-R172 VanDerWaalsContact O-N 3.1Å; V169-R172 PolarHBondContact O-N 3.06Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-L174 PolarHBondContact O-N 3.46Å; R172-F175 WeakPolarHBondContact O-CA 3.45Å; R172-F175 WeakPolarHBondContact O-CB 3.46Å; R172-F175 PolarHBondContact O-N 3.43Å; R172-D176 PolarHBondContact O-N 3.15Å
173Q90.4Very high88.4Confident53 Ų5370.8 Ų70.825%0.24837%0.373CS..Hα-helixtrans-64.1-35-178.7-70.8-173.11.100113.3L155 V169 F175 D176 K177L155-Q173 HydrophobicContact CD1-CB 3.87Å; L155-Q173 HydrophobicContact CD2-CB 4.35Å; V169-Q173 HydrophobicContact CG1-CG 4.38Å; V169-Q173 WeakPolarHBondContact O-CG 3.42Å; V169-Q173 PolarHBondContact O-N 3.01Å; Q173-F175 VanDerWaalsContact C-N 3.28Å; Q173-F175 PolarHBondContact O-N 3.46Å; Q173-D176 PolarHBondContact O-N 3.42Å; Q173-K177 WeakPolarHBondContact O-CB 3.44Å; Q173-K177 PolarHBondContact O-N 3.33Å
174L91.7Very high89Confident1 Ų170.8 Ų70.81%0.00538%0.375CS..Hα-helixtrans-62.2-38.1172.6-86.6178.8000112.1A151 L152 L155 L170 R172 H178 G179 L180 I187A151-L174 HydrophobicContact CB-CD2 4.05Å; L152-L174 HydrophobicContact CB-CD1 4.24Å; L152-L174 HydrophobicContact CB-CD2 4.31Å; L152-L174 HydrophobicContact CD1-CD1 3.43Å; L152-L174 VanDerWaalsContact CD1-CD1 3.43Å; L152-L174 HydrophobicContact CD1-CG 4.03Å; L152-L174 HydrophobicContact CG-CD1 4.36Å; L155-L174 HydrophobicContact CD1-CD2 3.83Å; L155-L174 HydrophobicContact CD1-CG 3.95Å; L170-L174 VanDerWaalsContact O-CB 3.26Å; L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 3.37Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-L174 PolarHBondContact O-N 3.46Å; L174-H178 CarbonylContact O-C 3.58Å; L174-H178 WeakPolarHBondContact O-CB 3.49Å; L174-H178 PolarHBondContact O-N 3.31Å; L174-G179 PolarHBondContact O-N 2.96Å; L174-L180 CarbonylContact C-O 3.35Å; L174-L180 HydrophobicContact CB-CB 4.48Å; L174-L180 HydrophobicContact CD2-CD1 4.31Å; L174-L180 PolarHBondContact O-N 3.05Å; L174-L180 VanDerWaalsContact O-N 3.09Å; L174-I187 HydrophobicContact CD1-CD1 4.17Å; L174-I187 HydrophobicContact CD1-CG1 4.44Å
175F91.5Very high89.4Confident123 Ų12372.6 Ų72.654%0.53938%0.376SS..Hα-helixtrans-69.6-47.2175-177.6-100.7000111S171 R172 Q173 G179 L180S171-F175 PolarHBondContact O-N 3.36Å; R172-F175 WeakPolarHBondContact O-CA 3.45Å; R172-F175 WeakPolarHBondContact O-CB 3.46Å; R172-F175 PolarHBondContact O-N 3.43Å; Q173-F175 VanDerWaalsContact C-N 3.28Å; Q173-F175 PolarHBondContact O-N 3.46Å; F175-G179 WeakPolarHBondContact O-CA 3.3Å; F175-G179 PolarHBondContact O-N 2.7Å; F175-L180 PolarHBondContact N-O 2.92Å
176D90.3Very high89.7Confident121 Ų12169 Ų6965%0.64736%0.356SS*.Hα-helixtrans-69.1-43.8-174.3-61.8-22.8000112.7R172 Q173R172-D176 PolarHBondContact O-N 3.15Å; Q173-D176 PolarHBondContact O-N 3.42Å
177K89.7Confident89.9Confident119 Ų11967.4 Ų67.452%0.51735%0.347SS..Hα-helixtrans-86.7-31.8-177.3-77.1-179.7168-171.10113.8L155 E158 Q173L155-K177 HydrophobicContact CD2-CD 3.42Å; L155-K177 VanDerWaalsContact CD2-CD 3.42Å; E158-K177 IonicContact OE1-NZ 3.9Å; E158-K177 IonicContact OE2-NZ 2.73Å; E158-K177 PolarHBondContact OE2-NZ 2.81Å; Q173-K177 WeakPolarHBondContact O-CB 3.44Å; Q173-K177 PolarHBondContact O-N 3.33Å
178H88Confident90Very high74 Ų7471.1 Ų71.134%0.34336%0.361SS..Hα-helixtrans-124.1-2.9-171.6-60.8-69.8000114.5F147 L174 L180F147-H178 AromaticContact CZ-ND1 3.69Å; L174-H178 CarbonylContact O-C 3.58Å; L174-H178 WeakPolarHBondContact O-CB 3.49Å; L174-H178 PolarHBondContact O-N 3.31Å; H178-L180 HydrophobicContact CB-CB 4.43Å; H178-L180 HydrophobicContact CB-CD1 3.68Å; H178-L180 HydrophobicContact CB-CG 3.84Å; H178-L180 PolarHBondContact O-N 2.79Å
179G88.4Confident90.1Very high57 Ų5768.7 Ų68.759%0.58836%0.359SS*.  trans66.918.4-175.600000113.7L174 F175L174-G179 PolarHBondContact O-N 2.96Å; F175-G179 WeakPolarHBondContact O-CA 3.3Å; F175-G179 PolarHBondContact O-N 2.7Å
180L87.6Confident90.2Very high31 Ų3167.5 Ų67.516%0.16235%0.351CS..  trans-97.6109.1-172.5-66.6170.7000111.5F147 E148 L174 F175 H178 R182F147-L180 HydrophobicContact CD1-CD1 4.43Å; F147-L180 HydrophobicContact CE1-CD1 4.11Å; E148-L180 HydrophobicContact CB-CD1 4.42Å; E148-L180 HydrophobicContact CG-CD1 3.74Å; E148-L180 HydrophobicContact CG-CD2 4.08Å; L174-L180 CarbonylContact C-O 3.35Å; L174-L180 HydrophobicContact CB-CB 4.48Å; L174-L180 HydrophobicContact CD2-CD1 4.31Å; L174-L180 PolarHBondContact O-N 3.05Å; L174-L180 VanDerWaalsContact O-N 3.09Å; F175-L180 PolarHBondContact N-O 2.92Å; H178-L180 HydrophobicContact CB-CB 4.43Å; H178-L180 HydrophobicContact CB-CD1 3.68Å; H178-L180 HydrophobicContact CB-CG 3.84Å; H178-L180 PolarHBondContact O-N 2.79Å; L180-R182 PolarHBondContact O-N 2.91Å
181S88.5Confident90.2Very high99 Ų9970.2 Ų70.269%0.69236%0.361SS*.  trans-87.2104.4174.7-175.80000111.7
182R88.4Confident90.2Very high58 Ų5875.7 Ų75.722%0.21938%0.381CS..  trans-123.9135174.8-60.9-59.4-171.5-165.85.8110.2R143 W144 E148 S171 L180 I187R143-R182 PolarHBondContact O-NH2 3.26Å; W144-R182 HydrophobicContact CH2-CB 4.09Å; W144-R182 HydrophobicContact CH2-CG 3.91Å; W144-R182 HydrophobicContact CZ2-CB 4.32Å; W144-R182 HydrophobicContact CZ2-CG 4.25Å; W144-R182 HydrophobicContact CZ3-CG 4.33Å; E148-R182 IonicContact OE1-CZ 3.37Å; E148-R182 IonicContact OE1-NE 3.04Å; E148-R182 IonicContact OE1-NH2 3.44Å; E148-R182 PolarHBondContact OE1-NH2 2.9Å; E148-R182 IonicContact OE2-CZ 3.67Å; E148-R182 VanDerWaalsContact OE2-CZ 3.29Å; E148-R182 IonicContact OE2-NE 3.61Å; E148-R182 PolarHBondContact OE2-NE 3.32Å; E148-R182 IonicContact OE2-NH2 3.29Å; E148-R182 PolarHBondContact OE2-NH2 2.86Å; S171-R182 PolarHBondContact OG-O 3.05Å; L180-R182 PolarHBondContact O-N 2.91Å; R182-I187 HydrophobicContact CB-CD1 4.35Å; R182-I187 HydrophobicContact CB-CG1 4.21Å
183N90.2Very high90.3Very high93 Ų9373.1 Ų73.150%0.49738%0.375SS..  trans-67.5146179.5-176.4-70.4000111.2E185 M186 I187N183-E185 PolarHBondContact O-N 2.96Å; N183-E185 WeakPolarHBondContact OD1-CB 3.23Å; N183-E185 PolarHBondContact OD1-N 2.87Å; N183-M186 HydrophobicContact CB-CG 4.17Å; N183-M186 HydrophobicContact CB-SD 4.23Å; N183-M186 WeakPolarHBondContact O-CA 3.41Å; N183-M186 WeakPolarHBondContact O-CB 3.18Å; N183-M186 PolarHBondContact O-N 2.97Å; N183-I187 PolarHBondContact O-N 2.75Å; N183-I187 VanDerWaalsContact O-N 3.08Å
184V90.5Very high90.4Very high52 Ų5276.3 Ų76.332%0.31539%0.392SS..Hα-helixtrans-52.4-39179.4-178.80000112.5N167 Q168 I187 K188N167-V184 HydrophobicContact CB-CG1 3.56Å; Q168-V184 HydrophobicContact CG-CG1 4.36Å; Q168-V184 HydrophobicContact CG-CG2 4.26Å; V184-I187 PolarHBondContact O-N 2.84Å; V184-K188 WeakPolarHBondContact O-CB 3.47Å; V184-K188 PolarHBondContact O-N 2.9Å
185E90.4Very high90.4Very high155 Ų15583.6 Ų83.672%0.72443%0.426SS*.Hα-helixtrans-68-35.1177.2-67.1-178179.100112.6N183 K188 G189N183-E185 PolarHBondContact O-N 2.96Å; N183-E185 WeakPolarHBondContact OD1-CB 3.23Å; N183-E185 PolarHBondContact OD1-N 2.87Å; E185-K188 WeakPolarHBondContact O-CB 3.44Å; E185-K188 PolarHBondContact O-N 2.72Å; E185-G189 PolarHBondContact O-N 3.14Å
186M91.1Very high90.4Very high33 Ų3378 Ų7816%0.16340%0.401CS..Hα-helixtrans-68.5-42.1176.5-64.5178.849.700111.4R143 W144 N183 K188 G189 Q190R143-M186 HydrophobicContact CG-CE 3.97Å; R143-M186 PolarHBondContact NE-SD 3.3Å; R143-M186 PolarHBondContact NH2-SD 2.63Å; W144-M186 HydrophobicContact CZ2-CB 4.06Å; W144-M186 HydrophobicContact CZ2-CE 4.29Å; N183-M186 HydrophobicContact CB-CG 4.17Å; N183-M186 HydrophobicContact CB-SD 4.23Å; N183-M186 WeakPolarHBondContact O-CA 3.41Å; N183-M186 WeakPolarHBondContact O-CB 3.18Å; N183-M186 PolarHBondContact O-N 2.97Å; M186-K188 VanDerWaalsContact C-N 3.35Å; M186-G189 WeakPolarHBondContact O-CA 3.36Å; M186-G189 PolarHBondContact O-N 3.45Å; M186-Q190 PolarHBondContact O-N 3.35Å
187I90.9Very high90.5Very high0 Ų077.9 Ų77.90%040%0.395CS..Hα-helixtrans-61.5-47.9174.9-67.6168000109.2W144 L152 L170 S171 L174 R182 N183 V184 G189 Q190 R191W144-I187 HydrophobicContact CH2-CG1 4.01Å; W144-I187 HydrophobicContact CZ2-CG1 4.4Å; L152-I187 HydrophobicContact CD1-CG1 4.22Å; L152-I187 HydrophobicContact CD1-CG2 3.79Å; L152-I187 HydrophobicContact CD2-CG2 4.17Å; L170-I187 HydrophobicContact CB-CG2 4.17Å; L170-I187 HydrophobicContact CD1-CG2 4.15Å; S171-I187 VanDerWaalsContact CA-CD1 3.47Å; L174-I187 HydrophobicContact CD1-CD1 4.17Å; L174-I187 HydrophobicContact CD1-CG1 4.44Å; R182-I187 HydrophobicContact CB-CD1 4.35Å; R182-I187 HydrophobicContact CB-CG1 4.21Å; N183-I187 PolarHBondContact O-N 2.75Å; N183-I187 VanDerWaalsContact O-N 3.08Å; V184-I187 PolarHBondContact O-N 2.84Å; I187-G189 PolarHBondContact O-N 3.17Å; I187-Q190 PolarHBondContact O-N 3.06Å; I187-R191 HydrophobicContact CG2-CG 4.31Å; I187-R191 WeakPolarHBondContact O-CG 3.45Å; I187-R191 PolarHBondContact O-N 3.42Å
188K91.5Very high90.7Very high112 Ų11278 Ų7849%0.48740%0.398SS..Hα-helixtrans-54.9-41.3173.6-174.7-178.5-1781800111.6V184 E185 M186 K192V184-K188 WeakPolarHBondContact O-CB 3.47Å; V184-K188 PolarHBondContact O-N 2.9Å; E185-K188 WeakPolarHBondContact O-CB 3.44Å; E185-K188 PolarHBondContact O-N 2.72Å; M186-K188 VanDerWaalsContact C-N 3.35Å; K188-K192 WeakPolarHBondContact O-CG 3.48Å; K188-K192 PolarHBondContact O-N 3.11Å
189G91.9Very high90.9Very high35 Ų3576.8 Ų76.836%0.36139%0.393SS..Hα-helixtrans-62.1-40.9175.300000113.3E185 M186 I187E185-G189 PolarHBondContact O-N 3.14Å; M186-G189 WeakPolarHBondContact O-CA 3.36Å; M186-G189 PolarHBondContact O-N 3.45Å; I187-G189 PolarHBondContact O-N 3.17Å
190Q91Very high91Very high10 Ų1074.5 Ų74.55%0.04737%0.368CS..Hα-helixtrans-69.5-44.3176.1-78.8-66.535.200113W144 L152 M186 I187 K192 K193 Y196W144-Q190 HydrophobicContact CD2-CG 3.58Å; W144-Q190 HydrophobicContact CE3-CG 4.09Å; W144-Q190 HydrophobicContact CG-CG 3.98Å; W144-Q190 HydrophobicContact CH2-CG 4.13Å; W144-Q190 HydrophobicContact CZ2-CB 4.39Å; W144-Q190 HydrophobicContact CZ2-CG 3.59Å; W144-Q190 HydrophobicContact CZ3-CG 4.35Å; L152-Q190 HydrophobicContact CD2-CB 4.03Å; M186-Q190 PolarHBondContact O-N 3.35Å; I187-Q190 PolarHBondContact O-N 3.06Å; Q190-K192 PolarHBondContact O-N 3.24Å; Q190-K192 VanDerWaalsContact O-N 3.09Å; Q190-K193 WeakPolarHBondContact O-CB 3.4Å; Q190-K193 PolarHBondContact O-N 3.5Å; Q190-Y196 WeakPolarHBondContact O-CB 3.38Å
191R91.2Very high91.2Very high58 Ų5876.1 Ų76.122%0.21938%0.382CS..Hα-helixtrans-61.2-21.5179.6-65.7-179.169.2-145.2-1.3114E156 N167 I187 Y196 K197E156-R191 IonicContact OE1-CZ 3.22Å; E156-R191 IonicContact OE1-NE 2.94Å; E156-R191 PolarHBondContact OE1-NE 2.89Å; E156-R191 IonicContact OE1-NH2 2.69Å; E156-R191 PolarHBondContact OE1-NH2 2.92Å; E156-R191 WeakPolarHBondContact OE2-CD 3.37Å; E156-R191 WeakPolarHBondContact OE2-CG 3.4Å; E156-R191 IonicContact OE2-CZ 3.82Å; E156-R191 IonicContact OE2-NE 2.86Å; E156-R191 PolarHBondContact OE2-NE 3.29Å; N167-R191 WeakPolarHBondContact OD1-CD 3.47Å; N167-R191 PolarHBondContact OD1-NH1 3.21Å; I187-R191 HydrophobicContact CG2-CG 4.31Å; I187-R191 WeakPolarHBondContact O-CG 3.45Å; I187-R191 PolarHBondContact O-N 3.42Å; R191-Y196 HydrophobicContact CB-CD1 4.36Å; R191-Y196 HydrophobicContact CB-CE1 4.08Å; R191-Y196 HydrophobicContact CG-CD1 4.32Å; R191-Y196 HydrophobicContact CG-CE1 3.62Å; R191-K197 VanDerWaalsContact O-CE 3.26Å; R191-K197 WeakPolarHBondContact O-CE 3.27Å
192K91Very high91.4Very high144 Ų14475.2 Ų75.263%0.62638%0.375SS*.THydrogen-bonded Turntrans-72.9-26.6174.3-76.7177.6177.6-169.50113.4K188 Q190K188-K192 WeakPolarHBondContact O-CG 3.48Å; K188-K192 PolarHBondContact O-N 3.11Å; Q190-K192 PolarHBondContact O-N 3.24Å; Q190-K192 VanDerWaalsContact O-N 3.09Å
193K92Very high91.5Very high107 Ų10774.5 Ų74.547%0.46538%0.376SS..SBendtrans-69.9138.6-175.2-63.5-171.3-171.8162.60111.1Q190 Y196 K197Q190-K193 WeakPolarHBondContact O-CB 3.4Å; Q190-K193 PolarHBondContact O-N 3.5Å; K193-Y196 PolarHBondContact O-N 3.01Å; K193-K197 PolarHBondContact O-N 3.43Å
194I92.2Very high91.5Very high121 Ų12173.3 Ų73.362%0.62137%0.367SS*.Hα-helixtrans-60.8-48.6-179.5-62.6167.7000110.5Y196 K197 E198I194-Y196 PolarHBondContact O-N 2.96Å; I194-Y196 VanDerWaalsContact O-N 3.15Å; I194-K197 WeakPolarHBondContact O-CB 3.22Å; I194-K197 PolarHBondContact O-N 3.24Å; I194-E198 HydrophobicContact CG2-CG 4.35Å; I194-E198 WeakPolarHBondContact CG2-OE1 3.46Å; I194-E198 PolarHBondContact O-N 3.29Å
195Q91.8Very high91.4Very high153 Ų15373.6 Ų73.672%0.71537%0.372SS*.Hα-helixtrans-53.9-37.3177.2-67178-19.600113.2L199Q195-L199 WeakPolarHBondContact O-CB 3.26Å; Q195-L199 PolarHBondContact O-N 3.43Å
196Y92.2Very high91.2Very high5 Ų568 Ų682%0.0236%0.355CS..Hα-helixtrans-71.6-40178175-86.1000111.5V149 L152 A153 E156 Q190 R191 K193 I194 L199 V200V149-Y196 HydrophobicContact CG1-CD2 4.04Å; L152-Y196 HydrophobicContact CB-CE2 4.16Å; L152-Y196 HydrophobicContact CD2-CE2 3.67Å; L152-Y196 HydrophobicContact CG-CE2 3.91Å; L152-Y196 WeakPolarHBondContact CG-OH 3.21Å; L152-Y196 PolarHBondContact O-OH 3.22Å; A153-Y196 HydrophobicContact CB-CD2 4.34Å; A153-Y196 HydrophobicContact CB-CE2 3.74Å; E156-Y196 WeakPolarHBondContact OE2-CE1 3.35Å; E156-Y196 VanDerWaalsContact OE2-CZ 3.25Å; E156-Y196 PolarHBondContact OE2-OH 3.28Å; Q190-Y196 WeakPolarHBondContact O-CB 3.38Å; R191-Y196 HydrophobicContact CB-CD1 4.36Å; R191-Y196 HydrophobicContact CB-CE1 4.08Å; R191-Y196 HydrophobicContact CG-CD1 4.32Å; R191-Y196 HydrophobicContact CG-CE1 3.62Å; K193-Y196 PolarHBondContact O-N 3.01Å; I194-Y196 PolarHBondContact O-N 2.96Å; I194-Y196 VanDerWaalsContact O-N 3.15Å; Y196-L199 WeakPolarHBondContact O-CB 3.45Å; Y196-L199 PolarHBondContact O-N 2.98Å; Y196-V200 HydrophobicContact CD1-CG2 4.1Å; Y196-V200 HydrophobicContact CE1-CG2 3.52Å; Y196-V200 HydrophobicContact CE2-CG2 4.38Å; Y196-V200 WeakPolarHBondContact O-CG2 3.4Å; Y196-V200 PolarHBondContact O-N 3.28Å
197K92Very high90.8Very high120 Ų12072.5 Ų72.552%0.52237%0.374SS..Hα-helixtrans-64.7-42.6176.3-65.8178.1-179.2-178.80111.8R191 K193 I194 L199 V200 S201R191-K197 VanDerWaalsContact O-CE 3.26Å; R191-K197 WeakPolarHBondContact O-CE 3.27Å; K193-K197 PolarHBondContact O-N 3.43Å; I194-K197 WeakPolarHBondContact O-CB 3.22Å; I194-K197 PolarHBondContact O-N 3.24Å; K197-L199 VanDerWaalsContact C-N 3.28Å; K197-L199 PolarHBondContact O-N 3.09Å; K197-V200 PolarHBondContact O-N 3Å; K197-S201 PolarHBondContact O-N 3.15Å; K197-S201 PolarHBondContact O-OG 3.41Å
198E93.5Very high90.2Very high122 Ų12275.4 Ų75.457%0.5740%0.395SS*.Hα-helixtrans-59.4-41.7173.7-70.4170172.600111.2I194 S201 S202I194-E198 HydrophobicContact CG2-CG 4.35Å; I194-E198 WeakPolarHBondContact CG2-OE1 3.46Å; I194-E198 PolarHBondContact O-N 3.29Å; E198-S201 PolarHBondContact O-N 3.47Å; E198-S202 WeakPolarHBondContact O-CB 3.45Å; E198-S202 PolarHBondContact O-N 3.38Å
199L92.3Very high89.8Confident47 Ų4779 Ų7925%0.24641%0.405CS..Hα-helixtrans-62.1-46175.8-173.966.5000112V149 L150 A153 Q195 Y196 K197 S202 I203V149-L199 HydrophobicContact CG1-CD2 3.9Å; L150-L199 HydrophobicContact CD2-CD1 3.81Å; L150-L199 HydrophobicContact CD2-CD2 3.9Å; L150-L199 HydrophobicContact CD2-CG 4.3Å; A153-L199 HydrophobicContact CB-CD2 3.71Å; A153-L199 HydrophobicContact CB-CG 3.91Å; Q195-L199 WeakPolarHBondContact O-CB 3.26Å; Q195-L199 PolarHBondContact O-N 3.43Å; Y196-L199 WeakPolarHBondContact O-CB 3.45Å; Y196-L199 PolarHBondContact O-N 2.98Å; K197-L199 VanDerWaalsContact C-N 3.28Å; K197-L199 PolarHBondContact O-N 3.09Å; L199-S202 WeakPolarHBondContact O-CB 3.48Å; L199-S202 PolarHBondContact O-N 2.87Å; L199-I203 HydrophobicContact CG-CD1 4.22Å; L199-I203 VanDerWaalsContact O-CG1 3.31Å; L199-I203 WeakPolarHBondContact O-CG1 3.43Å; L199-I203 PolarHBondContact O-N 3.14Å
200V91.7Very high89.1Confident9 Ų979.9 Ų79.96%0.05541%0.408CS..Hα-helixtrans-60.9-45.9175.5173.90000111.1A153 E156 A157 Y196 K197 S202 I203 Q204A153-V200 HydrophobicContact CB-CG2 3.78Å; E156-V200 HydrophobicContact CB-CG2 4.24Å; E156-V200 HydrophobicContact CG-CG1 4.2Å; E156-V200 HydrophobicContact CG-CG2 4.38Å; A157-V200 HydrophobicContact CB-CG1 4.5Å; Y196-V200 HydrophobicContact CD1-CG2 4.1Å; Y196-V200 HydrophobicContact CE1-CG2 3.52Å; Y196-V200 HydrophobicContact CE2-CG2 4.38Å; Y196-V200 WeakPolarHBondContact O-CG2 3.4Å; Y196-V200 PolarHBondContact O-N 3.28Å; K197-V200 PolarHBondContact O-N 3Å; V200-S202 VanDerWaalsContact C-N 3.31Å; V200-S202 PolarHBondContact O-N 3.18Å; V200-I203 PolarHBondContact O-N 3.35Å; V200-Q204 HydrophobicContact CG1-CG 4.39Å; V200-Q204 WeakPolarHBondContact O-CG 3.42Å; V200-Q204 PolarHBondContact O-N 3.18Å
201S90.5Very high88.5Confident65 Ų6583.1 Ų83.146%0.45543%0.426SS..Hα-helixtrans-62.4-37.5177.5-64.60000112.6K197 E198 Q204 S205K197-S201 PolarHBondContact O-N 3.15Å; K197-S201 PolarHBondContact O-OG 3.41Å; E198-S201 PolarHBondContact O-N 3.47Å; S201-Q204 PolarHBondContact O-N 2.76Å; S201-S205 WeakPolarHBondContact O-CB 3.32Å; S201-S205 PolarHBondContact O-N 2.69Å; S201-S205 PolarHBondContact O-OG 2.78Å
202S92.7Very high87.6Confident80 Ų8084.2 Ų84.256%0.55944%0.436SS*.Hα-helixtrans-63-45.5175.7-177.30000111.4E198 L199 V200 S205 G206E198-S202 WeakPolarHBondContact O-CB 3.45Å; E198-S202 PolarHBondContact O-N 3.38Å; L199-S202 WeakPolarHBondContact O-CB 3.48Å; L199-S202 PolarHBondContact O-N 2.87Å; V200-S202 VanDerWaalsContact C-N 3.31Å; V200-S202 PolarHBondContact O-N 3.18Å; S202-S205 PolarHBondContact O-N 3.41Å; S202-G206 PolarHBondContact O-N 3.1Å
203I91.1Very high87Confident44 Ų4480 Ų8023%0.22643%0.428CS..Hα-helixtrans-65.2-44.3177.3-64.1165.8000110.9A153 A157 L199 V200 S205 G206 F207A153-I203 HydrophobicContact CB-CD1 3.77Å; A157-I203 HydrophobicContact CB-CB 4.01Å; A157-I203 HydrophobicContact CB-CG2 3.51Å; L199-I203 HydrophobicContact CG-CD1 4.22Å; L199-I203 VanDerWaalsContact O-CG1 3.31Å; L199-I203 WeakPolarHBondContact O-CG1 3.43Å; L199-I203 PolarHBondContact O-N 3.14Å; V200-I203 PolarHBondContact O-N 3.35Å; I203-S205 VanDerWaalsContact C-N 3.34Å; I203-S205 PolarHBondContact O-N 2.93Å; I203-G206 PolarHBondContact O-N 3.38Å; I203-F207 PolarHBondContact O-N 3.09Å
204Q89.6Confident86.1Confident67 Ų6780.7 Ų80.731%0.31344%0.436SS..Hα-helixtrans-61-41.3177-73.6179-9.900112.3A157 V200 S201 G206 F207 S208A157-Q204 HydrophobicContact CB-CG 3.68Å; V200-Q204 HydrophobicContact CG1-CG 4.39Å; V200-Q204 WeakPolarHBondContact O-CG 3.42Å; V200-Q204 PolarHBondContact O-N 3.18Å; S201-Q204 PolarHBondContact O-N 2.76Å; Q204-G206 VanDerWaalsContact C-N 3.34Å; Q204-F207 PolarHBondContact O-N 3.39Å; Q204-S208 PolarHBondContact O-N 3.02Å
205S88.3Confident85Confident59 Ų5977.9 Ų77.941%0.41343%0.425SS..Hα-helixtrans-65.5-38.9176-56.20000111.6S201 S202 I203 S208 R209S201-S205 WeakPolarHBondContact O-CB 3.32Å; S201-S205 PolarHBondContact O-N 2.69Å; S201-S205 PolarHBondContact O-OG 2.78Å; S202-S205 PolarHBondContact O-N 3.41Å; I203-S205 VanDerWaalsContact C-N 3.34Å; I203-S205 PolarHBondContact O-N 2.93Å; S205-S208 PolarHBondContact O-N 3.35Å; S205-R209 WeakPolarHBondContact O-CG 3.35Å; S205-R209 PolarHBondContact O-N 2.93Å; S205-R209 VanDerWaalsContact O-N 3.09Å
206G87Confident83.6Confident37 Ų3777.4 Ų77.438%0.38142%0.422SS..Hα-helixtrans-63.8-40.617400000112.7S202 I203 Q204 R209 A210S202-G206 PolarHBondContact O-N 3.1Å; I203-G206 PolarHBondContact O-N 3.38Å; Q204-G206 VanDerWaalsContact C-N 3.34Å; G206-R209 PolarHBondContact O-N 3.18Å; G206-A210 WeakPolarHBondContact O-CB 3.41Å; G206-A210 PolarHBondContact O-N 3.03Å
207F82.5Confident82Confident128 Ų12880.4 Ų80.456%0.56144%0.444SS*.Hα-helixtrans-66-41.1176.6-159.4-105.8000111.9I203 Q204 A210 I211I203-F207 PolarHBondContact O-N 3.09Å; Q204-F207 PolarHBondContact O-N 3.39Å; F207-A210 PolarHBondContact O-N 3.34Å; F207-I211 HydrophobicContact CD1-CD1 3.62Å; F207-I211 HydrophobicContact CD1-CG1 4.39Å; F207-I211 HydrophobicContact CE1-CD1 3.55Å; F207-I211 HydrophobicContact CE1-CG1 4.33Å; F207-I211 HydrophobicContact CZ-CD1 4.45Å; F207-I211 WeakPolarHBondContact O-CG1 3.12Å; F207-I211 PolarHBondContact O-N 3.42Å
208S79.2Confident80.4Confident61 Ų6177.9 Ų77.943%0.42744%0.442SS..Hα-helixtrans-59.4-49.9174.1-163.90000111.4Q204 S205 A210 I211 D212Q204-S208 PolarHBondContact O-N 3.02Å; S205-S208 PolarHBondContact O-N 3.35Å; S208-A210 VanDerWaalsContact C-N 3.27Å; S208-A210 PolarHBondContact O-N 2.96Å; S208-I211 PolarHBondContact O-N 2.7Å; S208-I211 VanDerWaalsContact O-N 3.12Å; S208-D212 PolarHBondContact O-N 2.77Å; S208-D212 VanDerWaalsContact O-OD2 3.13Å
209R81.6Confident78.5Confident188 Ų18879.8 Ų79.871%0.70945%0.45SS*.Hα-helixtrans-60.3-36.1178.1-70.3178-168166.53.5112.9S205 G206 A213S205-R209 WeakPolarHBondContact O-CG 3.35Å; S205-R209 PolarHBondContact O-N 2.93Å; S205-R209 VanDerWaalsContact O-N 3.09Å; G206-R209 PolarHBondContact O-N 3.18Å; R209-A213 WeakPolarHBondContact O-CB 3.42Å; R209-A213 PolarHBondContact O-N 2.88Å; R209-A213 VanDerWaalsContact O-N 3.11Å
210A77.8Confident76.7Confident52 Ų5282.1 Ų82.143%0.4347%0.471SS..Hα-helixtrans-68.9-38.6177.200000111.9G206 F207 S208 L214G206-A210 WeakPolarHBondContact O-CB 3.41Å; G206-A210 PolarHBondContact O-N 3.03Å; F207-A210 PolarHBondContact O-N 3.34Å; S208-A210 VanDerWaalsContact C-N 3.27Å; S208-A210 PolarHBondContact O-N 2.96Å; A210-L214 VanDerWaalsContact O-CG 3.31Å; A210-L214 WeakPolarHBondContact O-CG 3.18Å; A210-L214 PolarHBondContact O-N 3.35Å
211I77.3Confident74.7Confident79 Ų7989.8 Ų89.841%0.40551%0.506SS..Hα-helixtrans-65.1-47.5173.3-68.7169.3000110.3F207 S208 A213 L214 T215F207-I211 HydrophobicContact CD1-CD1 3.62Å; F207-I211 HydrophobicContact CD1-CG1 4.39Å; F207-I211 HydrophobicContact CE1-CD1 3.55Å; F207-I211 HydrophobicContact CE1-CG1 4.33Å; F207-I211 HydrophobicContact CZ-CD1 4.45Å; F207-I211 WeakPolarHBondContact O-CG1 3.12Å; F207-I211 PolarHBondContact O-N 3.42Å; S208-I211 PolarHBondContact O-N 2.7Å; S208-I211 VanDerWaalsContact O-N 3.12Å; I211-A213 VanDerWaalsContact C-N 3.28Å; I211-A213 PolarHBondContact O-N 3.17Å; I211-L214 WeakPolarHBondContact O-CB 3.26Å; I211-L214 PolarHBondContact O-N 2.65Å; I211-T215 PolarHBondContact O-N 2.94Å; I211-T215 PolarHBondContact O-OG1 2.85Å
212D73.8Confident72.6Confident81 Ų8192.5 Ų92.543%0.43352%0.519SS..Hα-helixtrans-58.7-40.3-178.5-61.9-29.4000111.4S208 L214 T215 E216S208-D212 PolarHBondContact O-N 2.77Å; S208-D212 VanDerWaalsContact O-OD2 3.13Å; D212-L214 PolarHBondContact O-N 3.03Å; D212-T215 VanDerWaalsContact CA-OG1 3.31Å; D212-T215 WeakPolarHBondContact CA-OG1 3.12Å; D212-T215 PolarHBondContact O-N 2.8Å; D212-T215 PolarHBondContact O-OG1 3.37Å; D212-E216 PolarHBondContact O-N 3.15Å
213A77Confident70.2Confident56 Ų56100.5 Ų100.546%0.46354%0.539SS..Hα-helixtrans-67-32.4175.600000113.7R209 I211 S217R209-A213 WeakPolarHBondContact O-CB 3.42Å; R209-A213 PolarHBondContact O-N 2.88Å; R209-A213 VanDerWaalsContact O-N 3.11Å; I211-A213 VanDerWaalsContact C-N 3.28Å; I211-A213 PolarHBondContact O-N 3.17Å; A213-S217 PolarHBondContact O-N 3.24Å; A213-S217 PolarHBondContact O-OG 2.56Å
214L73.9Confident67.9Low121 Ų121101.2 Ų101.263%0.63456%0.557SS**Hα-helixtrans-74.6-33.5175.4-70170.5000111.7A210 I211 D212 S217 S218A210-L214 VanDerWaalsContact O-CG 3.31Å; A210-L214 WeakPolarHBondContact O-CG 3.18Å; A210-L214 PolarHBondContact O-N 3.35Å; I211-L214 WeakPolarHBondContact O-CB 3.26Å; I211-L214 PolarHBondContact O-N 2.65Å; D212-L214 PolarHBondContact O-N 3.03Å; L214-S217 WeakPolarHBondContact CA-OG 3.33Å; L214-S217 PolarHBondContact O-OG 3.37Å; L214-S217 VanDerWaalsContact O-OG 3.11Å; L214-S218 PolarHBondContact O-N 3.32Å
215T70.2Confident65.9Low62 Ų62103.9 Ų103.938%0.3858%0.584SS.*Hα-helixtrans-70.3-44.2175.442.90000111.8I211 D212 S217 S218 E219I211-T215 PolarHBondContact O-N 2.94Å; I211-T215 PolarHBondContact O-OG1 2.85Å; D212-T215 VanDerWaalsContact CA-OG1 3.31Å; D212-T215 WeakPolarHBondContact CA-OG1 3.12Å; D212-T215 PolarHBondContact O-N 2.8Å; D212-T215 PolarHBondContact O-OG1 3.37Å; T215-S217 VanDerWaalsContact C-N 3.26Å; T215-S217 PolarHBondContact O-N 2.91Å; T215-S218 PolarHBondContact O-N 2.93Å; T215-S218 PolarHBondContact O-OG 3.44Å; T215-E219 PolarHBondContact O-N 3.35Å
216E61.5Low63.6Low143 Ų143105.6 Ų105.667%0.66860%0.601SS**Hα-helixtrans-63.4-31.4178.5-75.4-178.6164.700113D212 S218 S220D212-E216 PolarHBondContact O-N 3.15Å; E216-S218 VanDerWaalsContact C-N 3.34Å; E216-S220 PolarHBondContact O-OG 2.77Å
217S59.6Low61.9Low67 Ų67110.9 Ų110.947%0.46963%0.626SS.*Hα-helixtrans-77.2-17.8174.442.30000113.6A213 L214 T215A213-S217 PolarHBondContact O-N 3.24Å; A213-S217 PolarHBondContact O-OG 2.56Å; L214-S217 WeakPolarHBondContact CA-OG 3.33Å; L214-S217 PolarHBondContact O-OG 3.37Å; L214-S217 VanDerWaalsContact O-OG 3.11Å; T215-S217 VanDerWaalsContact C-N 3.26Å; T215-S217 PolarHBondContact O-N 2.91Å
218S57.2Low60Low68 Ų68110.6 Ų110.648%0.47664%0.64SS.*Hα-helixtrans-91.9-28.9175.671.90000114L214 T215 E216 S220L214-S218 PolarHBondContact O-N 3.32Å; T215-S218 PolarHBondContact O-N 2.93Å; T215-S218 PolarHBondContact O-OG 3.44Å; E216-S218 VanDerWaalsContact C-N 3.34Å; S218-S220 VanDerWaalsContact C-N 3.32Å; S218-S220 PolarHBondContact O-N 3.44Å
219E53.9Low58.4Low162 Ų162112 Ų11276%0.75766%0.655SS**Hα-helixtrans-78.4-14.3-178.6-73-173.9124.100113.7T215T215-E219 PolarHBondContact O-N 3.35Å
220S53.6Low56.6Low96 Ų96109.6 Ų109.667%0.67166%0.661SS**THydrogen-bonded Turntrans-90.57.3179.435.20000114.5E216 S218E216-S220 PolarHBondContact O-OG 2.77Å; S218-S220 VanDerWaalsContact C-N 3.32Å; S218-S220 PolarHBondContact O-N 3.44Å
221Q50.8Low55Low169 Ų169112.9 Ų112.979%0.7968%0.678SS**SBendtrans-125.64.2-174.7-98-174.6-15.300118.1
222V46.4Very low53.3Low122 Ų122113 Ų11374%0.73969%0.691SS**  trans-130.573.2-172.2-164.70000113.8
223Y42.1Very low51.7Low248 Ų248114.5 Ų114.597%0.97371%0.708SS**  trans-124.684.8149.9-136.3-89.9000106.4
224G42.7Very low50.2Low59 Ų59119.7 Ų119.761%0.60873%0.727SS**SBendtrans172.192.1-174.400000114.4
225S48.2Very low48.5Very low124 Ų124121.7 Ų121.787%0.86774%0.738SS**  trans63.3114146.8-57.60000119.7
226A39.9Very low47.3Very low94 Ų94124.4 Ų124.478%0.77776%0.755SS**  trans-46.9137.5162.100000113.1
227T50.7Low46.6Very low149 Ų149125.8 Ų125.891%0.91477%0.766SS**  trans-167.9143.5131.330.50000110.4
228S43.6Very low46.1Very low122 Ų122127.8 Ų127.885%0.85378%0.777SS**  trans-73.1125.2-175166.50000112.3
229A45.1Very low45.2Very low89 Ų89132.3 Ų132.374%0.73680%0.796SS**  trans-163.8114.4152.300000110.7
230V42.6Very low44.8Very low139 Ų139131.6 Ų131.684%0.84280%0.797SS**  trans-76.8137.8164.3-176.10000107.8
231P45.2Very low44.1Very low120 Ų120134.3 Ų134.378%0.77980%0.804SS**  trans-136.6148.313526.5-7.7000113.6
232A41.1Very low43.8Very low83 Ų83137.1 Ų137.169%0.68681%0.807SS**  trans-74.3148.9178.400000112.6
233S40.2Very low43.7Very low112 Ų112137.1 Ų137.178%0.78381%0.808SS**  trans47.7108.2142.7-46.50000119.1
234L45.2Very low44.2Very low164 Ų164133.2 Ų133.286%0.85980%0.803SS**  trans-129.6106.4157.7-86.1169.1000110.5
235D38.1Very low44.2Very low164 Ų164136 Ų13688%0.87781%0.811SS**  trans-68.6115.4155.5-77-59.2000109
236V46.1Very low43.7Very low119 Ų119135.8 Ų135.872%0.72181%0.809SS**  trans-146.1108.2163.4-176.60000109.8
237L45.4Very low44Very low172 Ų172140.4 Ų140.490%0.90181%0.814SS**  trans-70.3146.9161-70.3165.2000109.9
238P50.3Low44.2Very low108 Ų108137.9 Ų137.970%0.70181%0.809SS**  trans-115.2122.8156.924.4-7.8000112.3
239D37.2Very low44.8Very low163 Ų163137.7 Ų137.787%0.87281%0.805SS**  trans-48.1129.3157-86.4-55.8000111.1
240N46.1Very low44.7Very low147 Ų147138.2 Ų138.279%0.78681%0.809SS**  trans-121.685.3166.3-93.2-30.7000109.7
241N38.8Very low45.1Very low154 Ų154138.1 Ų138.182%0.82481%0.808SS**  trans-86.5103.3156-165.212.5000107.1
242R44Very low45.1Very low227 Ų227138 Ų13886%0.85781%0.811SS**  trans-126.198175.5-137.2174.2-179.1169.8-0.5111
243T45.7Very low45.8Very low123 Ų123140 Ų14076%0.75582%0.82SS**  trans-36130.6161.7-31.90000112.8
244L51.3Low46.6Very low166 Ų166139 Ų13987%0.86982%0.819SS**  trans-73.7133.6170.2-74.7165000110.5
245P44Very low46.8Very low118 Ų118136.1 Ų136.177%0.76682%0.818SS**  trans-87.3135.3164.56.911.4000111
246S36.6Very low47.8Very low118 Ų118134.4 Ų134.483%0.82581%0.813SS**  trans-90.5112.9170.2155.20000109.1
247E47.1Very low48.8Very low192 Ų192136.9 Ų136.990%0.89782%0.821SS**  trans-140.1120.7158.4-73.2-166.411300109.5
248A55.2Low49.6Very low96 Ų96134.3 Ų134.379%0.79382%0.815SS**  trans-108.8130.7169.600000107.9
249P54.9Low49.8Very low118 Ų118133.8 Ų133.877%0.76682%0.82SS**  trans-92.8131.7166.932-24.8000110.2
250A43Very low50.9Low100 Ų100134.1 Ų134.183%0.82682%0.822SS**  trans-69.7131.5166.600000109.9
251T51.1Low51.2Low136 Ų136135.3 Ų135.383%0.83485%0.852SS**  trans-134.5116.2161.254.50000110.2
252S45.6Very low51.9Low118 Ų118134.4 Ų134.483%0.82585%0.854SS**  trans-56.3136.1170.5-176.90000111.9
253S55.4Low52.3Low125 Ų125129.5 Ų129.587%0.87485%0.853SS**  trans-131.7121.8161.2-114.30000109.3
254A56.9Low52.6Low92 Ų92129.9 Ų129.976%0.7686%0.859SS**  trans-67143-171.300000113.4
255A49.1Very low52.7Low102 Ų102127.8 Ų127.884%0.84386%0.858SS**  trans-91.7119.7163.200000108.9
256V58.9Low53.3Low128 Ų128128.4 Ų128.478%0.77686%0.864SS**  trans-145.3112.7158.4178.20000106.8
257L68.1Low54.4Low171 Ų171129.1 Ų129.190%0.89587%0.867SS**  trans-140.2147.5152.8-75.5-178.1000108.5
258P62.5Low54.9Low118 Ų118124.6 Ų124.677%0.76687%0.865SS**  trans-92.9166.8-158.19.711.1000113
259A53.3Low54.9Low98 Ų98126.8 Ų126.881%0.8187%0.87SS**  trans-72137.1171.500000111.5
260D61.9Low54.9Low169 Ų169127.5 Ų127.590%0.90488%0.879SS**  trans-114129.9157.3-89.4-45.8000108.5
261A52.8Low56Low173 Ų173130 Ų130100%1.4388%0.883SS**  trans-104.60159.500000107.9

Retrieved 261 of 261 residues in 240.5 ms (Link to these results)