A0A087XNA9_POEFO Loading...

Dehydrogenase/reductase (SDR family) member 13a, duplicate 3

AlphaFold DB , UniProt , Accession A0A087XNA9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 316 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.6Low69.9Low188 Ų188120.5 Ų120.593%0.92662%0.616SS**  0-53.50-158.9162.771.100112.2L3 Y4 L5M1-L3 PolarHBondContact O-N 2.81Å; M1-Y4 PolarHBondContact O-N 3.4Å; M1-L5 PolarHBondContact O-N 3.36Å
2Y59.8Low70.3Confident193 Ų193117.4 Ų117.476%0.75761%0.606SS**Hα-helixtrans-60-41.5179.7-127.4-97.8000114.6Y4 L5 V6Y2-Y4 VanDerWaalsContact C-N 3.33Å; Y2-Y4 PolarHBondContact O-N 3.28Å; Y2-L5 PolarHBondContact O-N 3.33Å; Y2-V6 WeakPolarHBondContact O-CG2 3.13Å; Y2-V6 PolarHBondContact O-N 3.38Å
3L67Low69.9Low143 Ų143115.9 Ų115.975%0.74959%0.589SS**Hα-helixtrans-63.7-36.5-179.7-16174.6000113M1 A7M1-L3 PolarHBondContact O-N 2.81Å; L3-A7 WeakPolarHBondContact O-CB 3.35Å; L3-A7 PolarHBondContact O-N 3.06Å
4Y72.3Confident69.5Low191 Ų191111.6 Ų111.675%0.74957%0.571SS**Hα-helixtrans-72.8-34.4177.9-70.6-75.9000112.3M1 Y2 A8M1-Y4 PolarHBondContact O-N 3.4Å; Y2-Y4 VanDerWaalsContact C-N 3.33Å; Y2-Y4 PolarHBondContact O-N 3.28Å; Y4-A8 VanDerWaalsContact O-CB 3.26Å; Y4-A8 WeakPolarHBondContact O-CB 3.49Å; Y4-A8 PolarHBondContact O-N 2.84Å
5L71.1Confident69.1Low113 Ų113110.4 Ų110.459%0.59257%0.566SS**Hα-helixtrans-67.9-40.7173.6-73166.3000111.7M1 Y2 A9M1-L5 PolarHBondContact O-N 3.36Å; Y2-L5 PolarHBondContact O-N 3.33Å; L5-A9 VanDerWaalsContact O-CB 3.31Å; L5-A9 WeakPolarHBondContact O-CB 3.36Å; L5-A9 PolarHBondContact O-N 3.4Å
6V71.2Confident68.5Low78 Ų78107.3 Ų107.347%0.47355%0.554SS.*Hα-helixtrans-65.9-44.8174.4174.60000110.9Y2 A8 A9 V10Y2-V6 WeakPolarHBondContact O-CG2 3.13Å; Y2-V6 PolarHBondContact O-N 3.38Å; V6-A8 PolarHBondContact O-N 3.13Å; V6-A9 PolarHBondContact O-N 2.9Å; V6-V10 HydrophobicContact CG1-CG2 4.4Å; V6-V10 WeakPolarHBondContact O-CB 3.28Å; V6-V10 VanDerWaalsContact O-CG2 3.28Å; V6-V10 WeakPolarHBondContact O-CG2 3.23Å; V6-V10 PolarHBondContact O-N 2.8Å
7A72.1Confident67.7Low56 Ų56104.4 Ų104.446%0.46354%0.536SS..Hα-helixtrans-62.5-42177.100000112.3L3 V10 W11L3-A7 WeakPolarHBondContact O-CB 3.35Å; L3-A7 PolarHBondContact O-N 3.06Å; A7-V10 PolarHBondContact O-N 3.44Å; A7-W11 VanDerWaalsContact O-CB 3.32Å; A7-W11 WeakPolarHBondContact O-CB 3.44Å; A7-W11 PolarHBondContact O-N 2.74Å
8A78.1Confident67Low52 Ų52105.8 Ų105.843%0.4354%0.535SS..Hα-helixtrans-65.1-41.8175.500000112Y4 V6 W11 V12Y4-A8 VanDerWaalsContact O-CB 3.26Å; Y4-A8 WeakPolarHBondContact O-CB 3.49Å; Y4-A8 PolarHBondContact O-N 2.84Å; V6-A8 PolarHBondContact O-N 3.13Å; A8-W11 PolarHBondContact O-N 3.11Å; A8-V12 WeakPolarHBondContact O-CB 3.39Å; A8-V12 WeakPolarHBondContact O-CG2 2.97Å; A8-V12 PolarHBondContact O-N 2.68Å
9A71Confident66.3Low61 Ų61103.4 Ų103.450%0.50454%0.539SS..Hα-helixtrans-63.5-42175.200000112L5 V6 W11 Y13L5-A9 VanDerWaalsContact O-CB 3.31Å; L5-A9 WeakPolarHBondContact O-CB 3.36Å; L5-A9 PolarHBondContact O-N 3.4Å; V6-A9 PolarHBondContact O-N 2.9Å; A9-W11 VanDerWaalsContact C-N 3.34Å; A9-Y13 WeakPolarHBondContact O-CB 3.36Å; A9-Y13 PolarHBondContact O-N 2.86Å
10V72.2Confident65.5Low80 Ų80105 Ų10549%0.48555%0.547SS..Hα-helixtrans-64.3-39.2174.1171.30000111V6 A7 Y13 V14V6-V10 HydrophobicContact CG1-CG2 4.4Å; V6-V10 WeakPolarHBondContact O-CB 3.28Å; V6-V10 VanDerWaalsContact O-CG2 3.28Å; V6-V10 WeakPolarHBondContact O-CG2 3.23Å; V6-V10 PolarHBondContact O-N 2.8Å; A7-V10 PolarHBondContact O-N 3.44Å; V10-Y13 WeakPolarHBondContact O-CB 3.47Å; V10-Y13 PolarHBondContact O-N 2.86Å; V10-V14 HydrophobicContact CG1-CG2 4.38Å; V10-V14 WeakPolarHBondContact O-CB 3.16Å; V10-V14 VanDerWaalsContact O-CG2 3.23Å; V10-V14 WeakPolarHBondContact O-CG2 3.38Å; V10-V14 PolarHBondContact O-N 3.29Å
11W75.7Confident64.7Low171 Ų171103.7 Ų103.765%0.64854%0.537SS*.Hα-helixtrans-71.9-42.3-179.1-159.383.4000112.7A7 A8 A9 Y13 V14 L15A7-W11 VanDerWaalsContact O-CB 3.32Å; A7-W11 WeakPolarHBondContact O-CB 3.44Å; A7-W11 PolarHBondContact O-N 2.74Å; A8-W11 PolarHBondContact O-N 3.11Å; A9-W11 VanDerWaalsContact C-N 3.34Å; W11-Y13 VanDerWaalsContact C-N 3.32Å; W11-V14 PolarHBondContact O-N 3.29Å; W11-L15 HydrophobicContact CD2-CD1 4.27Å; W11-L15 HydrophobicContact CD2-CG 4.45Å; W11-L15 HydrophobicContact CE3-CD1 3.53Å; W11-L15 HydrophobicContact CE3-CG 4.15Å; W11-L15 HydrophobicContact CH2-CD1 3.52Å; W11-L15 HydrophobicContact CH2-CG 4.28Å; W11-L15 HydrophobicContact CZ2-CD1 4.24Å; W11-L15 HydrophobicContact CZ3-CD1 3.13Å; W11-L15 HydrophobicContact CZ3-CG 4.09Å; W11-L15 PolarHBondContact O-N 2.85Å
12V74.6Confident64.5Low83 Ų83100.2 Ų100.250%0.50352%0.517SS..Hα-helixtrans-61.9-42.6170.3171.70000110.2A8 V14 L15 V16A8-V12 WeakPolarHBondContact O-CB 3.39Å; A8-V12 WeakPolarHBondContact O-CG2 2.97Å; A8-V12 PolarHBondContact O-N 2.68Å; V12-V14 PolarHBondContact O-N 2.81Å; V12-L15 PolarHBondContact O-N 2.78Å; V12-V16 HydrophobicContact CG1-CG2 4.17Å; V12-V16 VanDerWaalsContact O-CB 3.29Å; V12-V16 WeakPolarHBondContact O-CB 3.42Å; V12-V16 WeakPolarHBondContact O-CG2 3.44Å; V12-V16 PolarHBondContact O-N 2.93Å
13Y64.4Low64.5Low98 Ų9892.2 Ų92.238%0.38449%0.493SS..Hα-helixtrans-58.8-46.2173.5165.8-94.2000111.7A9 V10 W11 V16 F17 L255A9-Y13 WeakPolarHBondContact O-CB 3.36Å; A9-Y13 PolarHBondContact O-N 2.86Å; V10-Y13 WeakPolarHBondContact O-CB 3.47Å; V10-Y13 PolarHBondContact O-N 2.86Å; W11-Y13 VanDerWaalsContact C-N 3.32Å; Y13-V16 PolarHBondContact O-N 3.22Å; Y13-F17 HydrophobicContact CE2-CB 4.49Å; Y13-F17 HydrophobicContact CE2-CD2 4.45Å; Y13-F17 WeakPolarHBondContact O-CB 3.1Å; Y13-F17 PolarHBondContact O-N 3.02Å; Y13-L255 HydrophobicContact CE2-CD1 3.84Å; Y13-L255 HydrophobicContact CE2-CD2 4.26Å; Y13-L255 HydrophobicContact CE2-CG 4.08Å; Y13-L255 WeakPolarHBondContact OH-CD1 3.41Å
14V64.4Low64.9Low55 Ų5589 Ų8933%0.33348%0.48SS..Hα-helixtrans-62.3-44.6176.6166.20000110.5V10 W11 V12 F17 Y18V10-V14 HydrophobicContact CG1-CG2 4.38Å; V10-V14 WeakPolarHBondContact O-CB 3.16Å; V10-V14 VanDerWaalsContact O-CG2 3.23Å; V10-V14 WeakPolarHBondContact O-CG2 3.38Å; V10-V14 PolarHBondContact O-N 3.29Å; W11-V14 PolarHBondContact O-N 3.29Å; V12-V14 PolarHBondContact O-N 2.81Å; V14-F17 PolarHBondContact O-N 3Å; V14-Y18 HydrophobicContact CB-CD2 4.48Å; V14-Y18 HydrophobicContact CG1-CD2 3.74Å; V14-Y18 HydrophobicContact CG1-CE2 4.17Å; V14-Y18 VanDerWaalsContact O-CB 3.26Å; V14-Y18 WeakPolarHBondContact O-CB 3.48Å; V14-Y18 VanDerWaalsContact O-CD2 3.28Å; V14-Y18 WeakPolarHBondContact O-CD2 3.49Å; V14-Y18 PolarHBondContact O-N 3.47Å
15L64.4Low65.4Low94 Ų9486.8 Ų86.849%0.49247%0.47SS..Hα-helixtrans-65.3-41.7177.5-80-177000113.1W11 V12 G19W11-L15 HydrophobicContact CD2-CD1 4.27Å; W11-L15 HydrophobicContact CD2-CG 4.45Å; W11-L15 HydrophobicContact CE3-CD1 3.53Å; W11-L15 HydrophobicContact CE3-CG 4.15Å; W11-L15 HydrophobicContact CH2-CD1 3.52Å; W11-L15 HydrophobicContact CH2-CG 4.28Å; W11-L15 HydrophobicContact CZ2-CD1 4.24Å; W11-L15 HydrophobicContact CZ3-CD1 3.13Å; W11-L15 HydrophobicContact CZ3-CG 4.09Å; W11-L15 PolarHBondContact O-N 2.85Å; V12-L15 PolarHBondContact O-N 2.78Å; L15-G19 WeakPolarHBondContact O-CA 3.44Å; L15-G19 PolarHBondContact O-N 3.23Å
16V59.8Low66.2Low61 Ų6181.8 Ų81.837%0.3744%0.444SS..Hα-helixtrans-67.1-46.2177.1166.90000109.8V12 Y13 L20 F21V12-V16 HydrophobicContact CG1-CG2 4.17Å; V12-V16 VanDerWaalsContact O-CB 3.29Å; V12-V16 WeakPolarHBondContact O-CB 3.42Å; V12-V16 WeakPolarHBondContact O-CG2 3.44Å; V12-V16 PolarHBondContact O-N 2.93Å; Y13-V16 PolarHBondContact O-N 3.22Å; V16-L20 HydrophobicContact CG1-CD1 4.1Å; V16-L20 WeakPolarHBondContact O-CA 3.2Å; V16-L20 VanDerWaalsContact O-CB 3.23Å; V16-L20 WeakPolarHBondContact O-CB 3.48Å; V16-L20 PolarHBondContact O-N 2.89Å; V16-F21 HydrophobicContact CG1-CD2 4.44Å; V16-F21 HydrophobicContact CG1-CE2 3.98Å; V16-F21 WeakPolarHBondContact O-CD2 3.25Å
17F54.7Low67Low58 Ų5885.3 Ų85.325%0.25446%0.46SS..Iπ-helixtrans-64.1-49178.2-172.4-95.1000112.3Y13 V14 F21 K22 L255Y13-F17 HydrophobicContact CE2-CB 4.49Å; Y13-F17 HydrophobicContact CE2-CD2 4.45Å; Y13-F17 WeakPolarHBondContact O-CB 3.1Å; Y13-F17 PolarHBondContact O-N 3.02Å; V14-F17 PolarHBondContact O-N 3Å; F17-F21 HydrophobicContact CD2-CB 4.35Å; F17-F21 CarbonylContact O-C 3.56Å; F17-F21 VanDerWaalsContact O-CA 3.27Å; F17-F21 WeakPolarHBondContact O-CA 3.4Å; F17-F21 WeakPolarHBondContact O-CB 3.45Å; F17-F21 PolarHBondContact O-N 3.49Å; F17-K22 PolarHBondContact O-N 2.81Å; F17-K22 VanDerWaalsContact O-N 3.07Å; F17-L255 VanDerWaalsContact CE2-O 3.31Å; F17-L255 WeakPolarHBondContact CE2-O 3.24Å
18Y54Low67.8Low130 Ų13083 Ų8351%0.5144%0.44SS..Iπ-helixtrans-80.6-23-179.5-77.6-90.7000113.9V14 K22V14-Y18 HydrophobicContact CB-CD2 4.48Å; V14-Y18 HydrophobicContact CG1-CD2 3.74Å; V14-Y18 HydrophobicContact CG1-CE2 4.17Å; V14-Y18 VanDerWaalsContact O-CB 3.26Å; V14-Y18 WeakPolarHBondContact O-CB 3.48Å; V14-Y18 VanDerWaalsContact O-CD2 3.28Å; V14-Y18 WeakPolarHBondContact O-CD2 3.49Å; V14-Y18 PolarHBondContact O-N 3.47Å; Y18-K22 HydrophobicContact CD1-CD 3.84Å; Y18-K22 HydrophobicContact CD1-CG 4.42Å; Y18-K22 HydrophobicContact CE1-CD 4.35Å; Y18-K22 WeakPolarHBondContact O-CB 3.43Å
19G54.5Low68.4Low60 Ų6086.7 Ų86.762%0.61946%0.46SS*.Iπ-helixtrans-92.8-33.7-179.700000114.3L15L15-G19 WeakPolarHBondContact O-CA 3.44Å; L15-G19 PolarHBondContact O-N 3.23Å
20L49.9Very low69.5Low135 Ų13584.7 Ų84.771%0.70744%0.443SS*.Iπ-helixtrans-106-30.5179.2-59176.3000113.2V16V16-L20 HydrophobicContact CG1-CD1 4.1Å; V16-L20 WeakPolarHBondContact O-CA 3.2Å; V16-L20 VanDerWaalsContact O-CB 3.23Å; V16-L20 WeakPolarHBondContact O-CB 3.48Å; V16-L20 PolarHBondContact O-N 2.89Å
21F49Very low70.6Confident77 Ų7788.7 Ų88.734%0.33845%0.45SS..Iπ-helixtrans-106.2-15.7-172.6-62.9-89.9000115.1V16 F17 G23 F256 L258V16-F21 HydrophobicContact CG1-CD2 4.44Å; V16-F21 HydrophobicContact CG1-CE2 3.98Å; V16-F21 WeakPolarHBondContact O-CD2 3.25Å; F17-F21 HydrophobicContact CD2-CB 4.35Å; F17-F21 CarbonylContact O-C 3.56Å; F17-F21 VanDerWaalsContact O-CA 3.27Å; F17-F21 WeakPolarHBondContact O-CA 3.4Å; F17-F21 WeakPolarHBondContact O-CB 3.45Å; F17-F21 PolarHBondContact O-N 3.49Å; F21-G23 PolarHBondContact O-N 3.3Å; F21-F256 AromaticContact CE1-CD1 3.92Å; F21-F256 HydrophobicContact CE1-CD1 3.92Å; F21-F256 AromaticContact CZ-CD1 3.94Å; F21-F256 HydrophobicContact CZ-CD1 3.94Å; F21-F256 HydrophobicContact CZ-CE1 4.24Å; F21-L258 WeakPolarHBondContact O-CD2 3.48Å
22K54.7Low71.6Confident116 Ų11681.2 Ų81.250%0.50442%0.422SS..SBendtrans-71.685.2161-117.6-168.9-168.6175.20107.2F17 Y18F17-K22 PolarHBondContact O-N 2.81Å; F17-K22 VanDerWaalsContact O-N 3.07Å; Y18-K22 HydrophobicContact CD1-CD 3.84Å; Y18-K22 HydrophobicContact CD1-CG 4.42Å; Y18-K22 HydrophobicContact CE1-CD 4.35Å; Y18-K22 WeakPolarHBondContact O-CB 3.43Å
23G60.1Low72.7Confident24 Ų2485 Ų8525%0.24743%0.432CS..PPolyproline II helixtrans-51.6154.6-176.400000112.7F21 R25F21-G23 PolarHBondContact O-N 3.3Å; G23-R25 PolarHBondContact O-N 2.81Å
24T74.5Confident74.2Confident76 Ų7682.5 Ų82.547%0.46644%0.436SS..PPolyproline II helixtrans-49.9129.6179.3-39.60000110.5Q265 S286 C287T24-Q265 VanDerWaalsContact O-CB 3.23Å; T24-Q265 WeakPolarHBondContact O-CB 3.24Å; T24-S286 VanDerWaalsContact CB-O 3.24Å; T24-S286 WeakPolarHBondContact CB-O 3.41Å; T24-S286 PolarHBondContact OG1-O 3.35Å; T24-C287 HydrophobicContact CG2-CB 3.88Å; T24-C287 PolarHBondContact O-SG 3.08Å
25R83.3Confident75.8Confident144 Ų14482.8 Ų82.854%0.54343%0.432SS..PPolyproline II helixtrans-91144.5176.4-68.8-175.4173.3-167.6-7.1110.5G23 L27 Q265G23-R25 PolarHBondContact O-N 2.81Å; R25-L27 HydrophobicContact CB-CD2 4.27Å; R25-L27 PolarHBondContact O-N 3.37Å; R25-Q265 HydrophobicContact CG-CG 4.37Å
26C86.7Confident77.5Confident9 Ų978.4 Ų78.46%0.06141%0.41CS..PPolyproline II helixtrans-71.9118.6164.7179.50000108.2Q265 L268C26-Q265 WeakPolarHBondContact CB-O 3.42Å; C26-L268 HydrophobicContact CB-CB 3.88Å
27L88Confident79.3Confident151 Ų15175.5 Ų75.579%0.79139%0.392SS*.  trans-101.48.2179.3-58.5179.7000112.6R25 P29R25-L27 HydrophobicContact CB-CD2 4.27Å; R25-L27 PolarHBondContact O-N 3.37Å; L27-P29 WeakPolarHBondContact O-CD 3.23Å
28S90.1Very high81.5Confident8 Ų872.8 Ų72.86%0.05638%0.38CS..  trans-58.8126.2-178175.50000110.7A30 L272S28-A30 PolarHBondContact O-N 3.18Å; S28-A30 WeakPolarHBondContact OG-CB 3.23Å; S28-A30 PolarHBondContact OG-N 2.84Å; S28-L272 PolarHBondContact OG-O 2.9Å
29P90.8Very high83.6Confident130 Ų13066.6 Ų66.684%0.84436%0.356SS*.  trans-81.66.5176.735.5-36.2000112.7L27 W31L27-P29 WeakPolarHBondContact O-CD 3.23Å; P29-W31 PolarHBondContact O-N 2.77Å
30A93.3Very high85.7Confident18 Ų1863.7 Ų63.715%0.14933%0.326CS..  trans-54.6129.3-173.200000112.7S28 L272S28-A30 PolarHBondContact O-N 3.18Å; S28-A30 WeakPolarHBondContact OG-CB 3.23Å; S28-A30 PolarHBondContact OG-N 2.84Å; A30-L272 HydrophobicContact CB-CB 4.25Å; A30-L272 HydrophobicContact CB-CD2 4.35Å
31W95.7Very high87.9Confident164 Ų16458.3 Ų58.362%0.62130%0.303SS*.  trans-101.6132.9176.3-168.4-115.3000110.2P29 K56 R57P29-W31 PolarHBondContact O-N 2.77Å; W31-K56 WeakPolarHBondContact CH2-O 3.44Å; W31-K56 VanDerWaalsContact CZ3-O 3.24Å; W31-K56 WeakPolarHBondContact CZ3-O 3.21Å; W31-R57 VanDerWaalsContact CD2-O 3.25Å; W31-R57 HydrophobicContact CE3-CB 4.28Å; W31-R57 VanDerWaalsContact CE3-O 3.3Å; W31-R57 VanDerWaalsContact CZ3-C 3.45Å; W31-R57 HydrophobicContact CZ3-CB 4.45Å
32L97.5Very high90Very high15 Ų1554.7 Ų54.78%0.07929%0.287CS..  trans-110.517.2-170.1-65.3-175.8000113.6G34 K35 V37 L54 R57 A59 I116 L272L32-G34 PolarHBondContact O-N 3.4Å; L32-K35 HydrophobicContact CB-CB 4.22Å; L32-K35 HydrophobicContact CB-CG 4.47Å; L32-K35 HydrophobicContact CD2-CB 4.41Å; L32-K35 HydrophobicContact CD2-CG 4.25Å; L32-K35 VanDerWaalsContact O-CB 3.25Å; L32-K35 WeakPolarHBondContact O-CB 3.29Å; L32-K35 PolarHBondContact O-N 2.83Å; L32-V37 HydrophobicContact CD1-CG2 4.42Å; L32-L54 HydrophobicContact CD1-CB 4.37Å; L32-L54 HydrophobicContact CD1-CD2 3.47Å; L32-L54 VanDerWaalsContact CD1-CD2 3.47Å; L32-R57 WeakPolarHBondContact CA-O 3.44Å; L32-R57 HydrophobicContact CB-CB 4.35Å; L32-R57 HydrophobicContact CD1-CB 4.44Å; L32-R57 HydrophobicContact CG-CB 4.26Å; L32-R57 PolarHBondContact N-O 2.79Å; L32-A59 HydrophobicContact CB-CB 3.71Å; L32-A59 HydrophobicContact CD1-CB 3.88Å; L32-A59 HydrophobicContact CG-CB 4.5Å; L32-A59 WeakPolarHBondContact O-CA 3.22Å; L32-I116 HydrophobicContact CD1-CD1 4.36Å; L32-I116 HydrophobicContact CD2-CD1 4.33Å; L32-L272 HydrophobicContact CD1-CD2 3.74Å; L32-L272 HydrophobicContact CD2-CD2 4.02Å; L32-L272 HydrophobicContact CG-CD2 4.05Å
33K96.7Very high91.7Very high163 Ų16350.6 Ų50.671%0.70927%0.271SS*.THydrogen-bonded Turntrans-57.7128.4176.2-178.1175.3-176.9-179.60110.8K35 G58K33-K35 VanDerWaalsContact C-N 3.27Å; K33-G58 WeakPolarHBondContact CA-O 3.37Å
34G96.8Very high93Very high44 Ų4452.1 Ų52.145%0.45428%0.276SS..THydrogen-bonded Turntrans80.53.2-176.900000114.5L32 R113L32-G34 PolarHBondContact O-N 3.4Å; G34-R113 WeakPolarHBondContact O-CD 3.5Å; G34-R113 VanDerWaalsContact O-CZ 3.3Å; G34-R113 PolarHBondContact O-NE 2.92Å
35K98.4Very high93.7Very high61 Ų6149.7 Ų49.727%0.26527%0.265SS..  trans-97.6142.8173.6-58.6-71-171.61750110.5L32 K33 R60 D115L32-K35 HydrophobicContact CB-CB 4.22Å; L32-K35 HydrophobicContact CB-CG 4.47Å; L32-K35 HydrophobicContact CD2-CB 4.41Å; L32-K35 HydrophobicContact CD2-CG 4.25Å; L32-K35 VanDerWaalsContact O-CB 3.25Å; L32-K35 WeakPolarHBondContact O-CB 3.29Å; L32-K35 PolarHBondContact O-N 2.83Å; K33-K35 VanDerWaalsContact C-N 3.27Å; K35-R60 PolarHBondContact O-N 2.85Å; K35-D115 VanDerWaalsContact CA-OD2 3.28Å; K35-D115 WeakPolarHBondContact CA-OD2 3.48Å; K35-D115 HydrophobicContact CB-CB 4.15Å; K35-D115 HydrophobicContact CD-CB 3.86Å; K35-D115 WeakPolarHBondContact CD-OD1 3.26Å; K35-D115 IonicContact NZ-OD1 3.73Å; K35-D115 PolarHBondContact NZ-OD1 3.3Å
36T98.8Very high94Very high3 Ų343.6 Ų43.62%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-108.6130.8175.6-63.90000110.6R60 I62 F107 R113 D115 I116T36-R60 CarbonylContact C-O 3.41Å; T36-R60 WeakPolarHBondContact CA-O 3.28Å; T36-R60 HydrophobicContact CG2-CG 4.41Å; T36-I62 HydrophobicContact CG2-CD1 3.67Å; T36-F107 HydrophobicContact CG2-CE2 4.31Å; T36-F107 HydrophobicContact CG2-CZ 4.37Å; T36-R113 VanDerWaalsContact CB-O 3.25Å; T36-R113 WeakPolarHBondContact CB-O 3.45Å; T36-R113 WeakPolarHBondContact CG2-O 3.3Å; T36-R113 VanDerWaalsContact OG1-CG 3.25Å; T36-R113 WeakPolarHBondContact OG1-CG 3.44Å; T36-D115 PolarHBondContact N-OD2 2.78Å; T36-D115 PolarHBondContact O-N 3.43Å; T36-I116 PolarHBondContact O-N 2.83Å
37V98.9Very high94.4Very high0 Ų043.2 Ų43.20%024%0.241CC..EExtended strand (participates in β ladder)trans-125.5132.5-177.7-1740000110.4L32 V39 L54 A59 R60 V61 I62 I116 I118L32-V37 HydrophobicContact CD1-CG2 4.42Å; V37-V39 HydrophobicContact CG1-CG2 4.01Å; V37-L54 HydrophobicContact CB-CD1 4.48Å; V37-L54 HydrophobicContact CG1-CD1 3.71Å; V37-A59 HydrophobicContact CG2-CB 4.01Å; V37-R60 PolarHBondContact N-O 2.87Å; V37-V61 WeakPolarHBondContact O-CA 3.47Å; V37-I62 PolarHBondContact O-N 3.49Å; V37-I116 VanDerWaalsContact CA-O 3.3Å; V37-I116 WeakPolarHBondContact CA-O 3.38Å; V37-I116 HydrophobicContact CB-CB 4.27Å; V37-I116 HydrophobicContact CG1-CB 3.77Å; V37-I116 HydrophobicContact CG1-CG2 4.01Å; V37-I116 WeakPolarHBondContact CG1-O 3.33Å; V37-I116 HydrophobicContact CG2-CB 3.9Å; V37-I116 HydrophobicContact CG2-CD1 4.06Å; V37-I116 HydrophobicContact CG2-CG1 4.19Å; V37-I118 HydrophobicContact CG1-CD1 4.26Å; V37-I118 HydrophobicContact CG1-CG1 4.36Å
38V98.9Very high94.8Very high0 Ų038.7 Ų38.70%022%0.215CC..EExtended strand (participates in β ladder)trans-104.9129.31701740000108.7I62 A64 F103 F107 L114 I116 L117 I118V38-I62 HydrophobicContact CG2-CB 4.12Å; V38-I62 HydrophobicContact CG2-CD1 4.14Å; V38-I62 HydrophobicContact CG2-CG2 4.41Å; V38-A64 HydrophobicContact CG1-CB 3.94Å; V38-F103 HydrophobicContact CG1-CE1 4.31Å; V38-F103 HydrophobicContact CG1-CZ 3.85Å; V38-F103 HydrophobicContact CG2-CZ 4.47Å; V38-F107 HydrophobicContact CG2-CD2 3.87Å; V38-F107 HydrophobicContact CG2-CE2 3.37Å; V38-F107 HydrophobicContact CG2-CZ 4.16Å; V38-L114 HydrophobicContact CB-CD1 4.23Å; V38-L114 HydrophobicContact CG2-CD1 3.75Å; V38-I116 PolarHBondContact N-O 2.95Å; V38-L117 HydrophobicContact CB-CD1 3.86Å; V38-L117 HydrophobicContact CG1-CD1 3.81Å; V38-I118 PolarHBondContact O-N 2.82Å
39V98.9Very high95.1Very high0 Ų039.4 Ų39.40%022%0.22CC..EExtended strand (participates in β ladder)trans-124.2115.4174-168.80000109.2V37 S42 A51 L54 V61 I62 A64 I118 N120V37-V39 HydrophobicContact CG1-CG2 4.01Å; V39-S42 WeakPolarHBondContact O-CB 3.33Å; V39-S42 PolarHBondContact O-OG 3.26Å; V39-A51 HydrophobicContact CG2-CB 4.44Å; V39-L54 HydrophobicContact CG2-CD1 4.02Å; V39-V61 HydrophobicContact CG2-CG1 4.28Å; V39-I62 PolarHBondContact N-O 3.26Å; V39-A64 PolarHBondContact O-N 2.79Å; V39-I118 HydrophobicContact CB-CB 4.48Å; V39-I118 HydrophobicContact CG1-CB 4.18Å; V39-I118 HydrophobicContact CG1-CG2 4.29Å; V39-I118 HydrophobicContact CG2-CB 4.32Å; V39-I118 HydrophobicContact CG2-CD1 4.08Å; V39-I118 HydrophobicContact CG2-CG1 4.41Å; V39-N120 HydrophobicContact CG1-CB 4.21Å
40T98.8Very high95.4Very high0 Ų033.2 Ų33.20%018%0.18CC..EExtended strand (participates in β ladder)trans-77141.5177.1680000111.2S42 A64 L92 I118 N120 A121 H144 L147T40-S42 PolarHBondContact O-N 2.86Å; T40-A64 CarbonylContact C-O 3.48Å; T40-A64 WeakPolarHBondContact CA-O 3.28Å; T40-A64 HydrophobicContact CG2-CB 4.32Å; T40-L92 HydrophobicContact CG2-CD2 3.75Å; T40-I118 PolarHBondContact N-O 2.83Å; T40-I118 PolarHBondContact OG1-O 2.68Å; T40-N120 WeakPolarHBondContact O-CB 3.18Å; T40-N120 PolarHBondContact O-ND2 3.23Å; T40-N120 PolarHBondContact OG1-N 3.29Å; T40-A121 PolarHBondContact O-N 3.4Å; T40-A121 WeakPolarHBondContact OG1-CB 3.43Å; T40-A121 PolarHBondContact OG1-N 2.93Å; T40-H144 PolarHBondContact OG1-NE2 3.12Å; T40-L147 HydrophobicContact CG2-CD2 3.67Å
41G95.3Very high95.6Very high22 Ų2232.4 Ų32.423%0.22717%0.173CC..THydrogen-bonded Turntrans62.441.1177.200000113.4A64 N120G41-A64 PolarHBondContact N-O 3.31Å; G41-N120 PolarHBondContact O-ND2 2.7Å
42S95Very high95.7Very high0 Ų025.4 Ų25.40%015%0.148CC..  trans-101.615.5-171.347.70000114.7V39 T40 G47 K48 L63 C65V39-S42 WeakPolarHBondContact O-CB 3.33Å; V39-S42 PolarHBondContact O-OG 3.26Å; T40-S42 PolarHBondContact O-N 2.86Å; S42-G47 WeakPolarHBondContact CB-O 3.32Å; S42-K48 WeakPolarHBondContact O-CA 3.23Å; S42-K48 WeakPolarHBondContact O-CB 3.26Å; S42-K48 PolarHBondContact O-N 3.28Å; S42-L63 WeakPolarHBondContact O-CD2 3.28Å; S42-L63 VanDerWaalsContact OG-CA 3.23Å; S42-L63 WeakPolarHBondContact OG-CA 3.25Å; S42-L63 WeakPolarHBondContact OG-CB 3.24Å; S42-L63 WeakPolarHBondContact OG-CG 3.46Å; S42-C65 PolarHBondContact N-SG 2.87Å
43N89.9Confident95.8Very high31 Ų3126.9 Ų26.917%0.16615%0.154CC..SBendtrans-81.1-18.4173.264.1-45.5000113.4C65 K70 A71 A74N43-C65 HydrophobicContact CB-CB 4.44Å; N43-C65 PolarHBondContact N-SG 2.86Å; N43-C65 VanDerWaalsContact N-SG 3.36Å; N43-K70 HydrophobicContact CB-CB 4.45Å; N43-A71 HydrophobicContact CB-CB 4.31Å; N43-A74 HydrophobicContact CB-CB 4.22Å
44T87.9Confident95.9Very high56 Ų5619.1 Ų19.134%0.34412%0.12SC..SBendtrans-145171.6177.467.10000112.3G47 K48T44-G47 PolarHBondContact O-N 2.9Å; T44-K48 PolarHBondContact O-N 3.29Å; T44-K48 VanDerWaalsContact O-N 3.12Å
45G88.6Confident95.9Very high24 Ų2417 Ų1725%0.24710%0.099CC..Hα-helixtrans54.3-141.6168.700000114.5G47 K48 S49G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 3.47Å; G45-K48 PolarHBondContact O-N 2.94Å; G45-S49 PolarHBondContact O-N 3.35Å; G45-S49 VanDerWaalsContact O-N 3.08Å; G45-S49 PolarHBondContact O-OG 2.87Å
46I89.8Confident95.9Very high16 Ų1617.6 Ų17.68%0.08210%0.102CC..Hα-helixtrans-57.2-40.6-176.8-57.3162.3000111.3S49 T50 P230 I233 T235 C264I46-S49 PolarHBondContact O-N 3.39Å; I46-T50 WeakPolarHBondContact O-CB 3.47Å; I46-T50 PolarHBondContact O-N 3.42Å; I46-T50 PolarHBondContact O-OG1 2.75Å; I46-P230 HydrophobicContact CD1-CB 4.12Å; I46-P230 HydrophobicContact CD1-CG 3.98Å; I46-I233 HydrophobicContact CD1-CB 4.26Å; I46-I233 HydrophobicContact CD1-CD1 3.3Å; I46-I233 HydrophobicContact CD1-CG1 4.38Å; I46-I233 HydrophobicContact CD1-CG2 4.12Å; I46-I233 HydrophobicContact CG1-CD1 3.84Å; I46-I233 HydrophobicContact CG1-CG2 3.97Å; I46-T235 HydrophobicContact CD1-CG2 3.63Å; I46-T235 HydrophobicContact CG1-CG2 4.07Å; I46-C264 HydrophobicContact CG2-CB 4.19Å
47G94.4Very high95.9Very high1 Ų119.5 Ų19.51%0.0111%0.108CC..Hα-helixtrans-63-43.8-179.800000112.2S42 T44 G45 T50 A51 N120S42-G47 WeakPolarHBondContact CB-O 3.32Å; T44-G47 PolarHBondContact O-N 2.9Å; G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 3.47Å; G47-T50 PolarHBondContact O-N 3.49Å; G47-A51 WeakPolarHBondContact O-CB 3.5Å; G47-A51 PolarHBondContact O-N 3.39Å; G47-N120 VanDerWaalsContact CA-ND2 3.29Å; G47-N120 WeakPolarHBondContact CA-ND2 3.45Å
48K96.3Very high95.9Very high57 Ų5720 Ų2025%0.24811%0.114CC..Hα-helixtrans-64-46.1175.9-170.2-177.5-179.1177.70111.5S42 T44 G45 T50 A51 L52 A74 D77 I78S42-K48 WeakPolarHBondContact O-CA 3.23Å; S42-K48 WeakPolarHBondContact O-CB 3.26Å; S42-K48 PolarHBondContact O-N 3.28Å; T44-K48 PolarHBondContact O-N 3.29Å; T44-K48 VanDerWaalsContact O-N 3.12Å; G45-K48 PolarHBondContact O-N 2.94Å; K48-T50 VanDerWaalsContact C-N 3.31Å; K48-T50 PolarHBondContact O-N 2.96Å; K48-A51 PolarHBondContact O-N 3.2Å; K48-L52 WeakPolarHBondContact O-CB 3.32Å; K48-L52 PolarHBondContact O-N 3.3Å; K48-A74 HydrophobicContact CD-CB 4.23Å; K48-A74 HydrophobicContact CG-CB 4.48Å; K48-D77 IonicContact NZ-OD2 3.9Å; K48-D77 PolarHBondContact NZ-OD2 3.43Å; K48-I78 HydrophobicContact CG-CD1 4.06Å; K48-I78 HydrophobicContact CG-CG1 4.29Å
49S95.8Very high95.8Very high23 Ų2320 Ų2016%0.16111%0.114CC..Hα-helixtrans-62.8-37.4176.5-63.30000112.3G45 I46 E53 P260G45-S49 PolarHBondContact O-N 3.35Å; G45-S49 VanDerWaalsContact O-N 3.08Å; G45-S49 PolarHBondContact O-OG 2.87Å; I46-S49 PolarHBondContact O-N 3.39Å; S49-E53 WeakPolarHBondContact O-CG 3.42Å; S49-E53 PolarHBondContact O-N 3.28Å; S49-E53 VanDerWaalsContact O-N 3.11Å; S49-P260 WeakPolarHBondContact CB-O 3.35Å; S49-P260 WeakPolarHBondContact OG-CB 3.44Å
50T97.4Very high95.8Very high0 Ų023.3 Ų23.30%013%0.126CC..Hα-helixtrans-64.7-50174.4-54.90000110.6I46 G47 K48 L52 E53 L54 I118 C264 T267 L268I46-T50 WeakPolarHBondContact O-CB 3.47Å; I46-T50 PolarHBondContact O-N 3.42Å; I46-T50 PolarHBondContact O-OG1 2.75Å; G47-T50 PolarHBondContact O-N 3.49Å; K48-T50 VanDerWaalsContact C-N 3.31Å; K48-T50 PolarHBondContact O-N 2.96Å; T50-L52 VanDerWaalsContact C-N 3.31Å; T50-L52 PolarHBondContact O-N 3.37Å; T50-E53 PolarHBondContact O-N 3.14Å; T50-L54 HydrophobicContact CG2-CD1 3.88Å; T50-L54 WeakPolarHBondContact O-CD1 3.42Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.29Å; T50-L54 PolarHBondContact O-N 2.74Å; T50-I118 HydrophobicContact CG2-CD1 3.69Å; T50-C264 WeakPolarHBondContact OG1-CB 3.46Å; T50-T267 HydrophobicContact CG2-CG2 3.77Å; T50-L268 HydrophobicContact CG2-CD2 4.31Å
51A98.6Very high95.8Very high0 Ų023.3 Ų23.30%013%0.126CC..Hα-helixtrans-59.4-41.4178.700000112.3V39 G47 K48 L54 A55 V61 L63 I78V39-A51 HydrophobicContact CG2-CB 4.44Å; G47-A51 WeakPolarHBondContact O-CB 3.5Å; G47-A51 PolarHBondContact O-N 3.39Å; K48-A51 PolarHBondContact O-N 3.2Å; A51-L54 PolarHBondContact O-N 3.48Å; A51-A55 VanDerWaalsContact O-CB 3.3Å; A51-A55 WeakPolarHBondContact O-CB 3.43Å; A51-A55 PolarHBondContact O-N 2.95Å; A51-V61 HydrophobicContact CB-CG1 3.87Å; A51-L63 HydrophobicContact CB-CD1 4.24Å; A51-I78 HydrophobicContact CB-CD1 3.87Å
52L98.3Very high96Very high18 Ų1822.2 Ų22.29%0.09412%0.116CC..Hα-helixtrans-60.2-49.9175.5173.662.7000112.7K48 T50 L54 A55 K56 I78 E81K48-L52 WeakPolarHBondContact O-CB 3.32Å; K48-L52 PolarHBondContact O-N 3.3Å; T50-L52 VanDerWaalsContact C-N 3.31Å; T50-L52 PolarHBondContact O-N 3.37Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 2.98Å; L52-A55 WeakPolarHBondContact O-CB 3.31Å; L52-A55 PolarHBondContact O-N 3.02Å; L52-A55 VanDerWaalsContact O-N 3.17Å; L52-K56 HydrophobicContact CD1-CD 4.48Å; L52-K56 HydrophobicContact CD1-CG 4.42Å; L52-K56 HydrophobicContact CG-CD 4.47Å; L52-K56 WeakPolarHBondContact O-CG 3.48Å; L52-K56 PolarHBondContact O-N 3.43Å; L52-I78 HydrophobicContact CB-CG1 4.2Å; L52-I78 HydrophobicContact CB-CG2 4.43Å; L52-I78 HydrophobicContact CD1-CB 4.48Å; L52-I78 HydrophobicContact CD1-CG1 4.48Å; L52-I78 HydrophobicContact CD1-CG2 4.07Å; L52-E81 HydrophobicContact CD1-CB 3.87Å; L52-E81 HydrophobicContact CD1-CG 4.07Å; L52-E81 VanDerWaalsContact CD2-CD 3.48Å; L52-E81 WeakPolarHBondContact CD2-OE1 3.3Å; L52-E81 VanDerWaalsContact CD2-OE2 3.23Å; L52-E81 WeakPolarHBondContact CD2-OE2 3.15Å
53E98Very high96.2Very high45 Ų4522.2 Ų22.221%0.2112%0.116CC..Hα-helixtrans-66.9-33.2-178.4-75.4-59.2129.400112.4S49 T50 K56 R57 L268S49-E53 WeakPolarHBondContact O-CG 3.42Å; S49-E53 PolarHBondContact O-N 3.28Å; S49-E53 VanDerWaalsContact O-N 3.11Å; T50-E53 PolarHBondContact O-N 3.14Å; E53-K56 IonicContact OE1-NZ 3.42Å; E53-K56 PolarHBondContact OE1-NZ 3.47Å; E53-R57 WeakPolarHBondContact O-CD 3.11Å; E53-R57 WeakPolarHBondContact O-CG 3.13Å; E53-R57 PolarHBondContact O-N 2.72Å; E53-R57 PolarHBondContact O-NH1 3.28Å; E53-R57 IonicContact OE2-CZ 2.68Å; E53-R57 IonicContact OE2-NH1 3.81Å; E53-R57 PolarHBondContact OE2-NH1 3.38Å; E53-R57 IonicContact OE2-NH2 2.86Å; E53-L268 HydrophobicContact CB-CD1 3.66Å; E53-L268 HydrophobicContact CB-CD2 3.85Å; E53-L268 HydrophobicContact CB-CG 4.4Å; E53-L268 HydrophobicContact CG-CD1 3.9Å
54L98.6Very high96.6Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-69.7-39.4171.5-65165.2000111.7L32 V37 V39 T50 A51 L52 R57 G58 A59 V61 I118 L268 L272L32-L54 HydrophobicContact CD1-CB 4.37Å; L32-L54 HydrophobicContact CD1-CD2 3.47Å; L32-L54 VanDerWaalsContact CD1-CD2 3.47Å; V37-L54 HydrophobicContact CB-CD1 4.48Å; V37-L54 HydrophobicContact CG1-CD1 3.71Å; V39-L54 HydrophobicContact CG2-CD1 4.02Å; T50-L54 HydrophobicContact CG2-CD1 3.88Å; T50-L54 WeakPolarHBondContact O-CD1 3.42Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.29Å; T50-L54 PolarHBondContact O-N 2.74Å; A51-L54 PolarHBondContact O-N 3.48Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 2.98Å; L54-R57 CarbonylContact O-C 3.55Å; L54-R57 WeakPolarHBondContact O-CA 3.39Å; L54-R57 WeakPolarHBondContact O-CB 3.28Å; L54-R57 PolarHBondContact O-N 3.2Å; L54-R57 VanDerWaalsContact O-N 3.12Å; L54-G58 PolarHBondContact O-N 3.11Å; L54-A59 HydrophobicContact CB-CB 4.37Å; L54-A59 VanDerWaalsContact O-CB 3.3Å; L54-A59 WeakPolarHBondContact O-CB 3.17Å; L54-A59 PolarHBondContact O-N 2.89Å; L54-V61 HydrophobicContact CB-CG2 4.09Å; L54-I118 HydrophobicContact CD1-CD1 3.75Å; L54-L268 HydrophobicContact CD2-CD2 4.09Å; L54-L268 HydrophobicContact CG-CD2 4.07Å; L54-L272 HydrophobicContact CD2-CD2 4.05Å
55A98.6Very high97Very high1 Ų118.2 Ų18.21%0.0089%0.092CC..Hα-helixtrans-65.5-41.6176.500000112A51 L52 R57 G58 V61 I78 N84 V87A51-A55 VanDerWaalsContact O-CB 3.3Å; A51-A55 WeakPolarHBondContact O-CB 3.43Å; A51-A55 PolarHBondContact O-N 2.95Å; L52-A55 WeakPolarHBondContact O-CB 3.31Å; L52-A55 PolarHBondContact O-N 3.02Å; L52-A55 VanDerWaalsContact O-N 3.17Å; A55-R57 PolarHBondContact O-N 3.36Å; A55-G58 PolarHBondContact O-N 3.27Å; A55-V61 HydrophobicContact CB-CG2 4.03Å; A55-I78 HydrophobicContact CB-CG2 3.72Å; A55-N84 HydrophobicContact CB-CB 4.47Å; A55-N84 WeakPolarHBondContact O-CB 3.46Å; A55-N84 PolarHBondContact O-ND2 3.07Å; A55-V87 HydrophobicContact CB-CG2 3.55Å
56K98Very high97.3Very high73 Ų7324.6 Ų24.632%0.31711%0.109SC..Hα-helixtrans-57.8-26.1171.9-76.8177.7-178.3167.80112.6W31 L52 E53 G58 E81W31-K56 WeakPolarHBondContact CH2-O 3.44Å; W31-K56 VanDerWaalsContact CZ3-O 3.24Å; W31-K56 WeakPolarHBondContact CZ3-O 3.21Å; L52-K56 HydrophobicContact CD1-CD 4.48Å; L52-K56 HydrophobicContact CD1-CG 4.42Å; L52-K56 HydrophobicContact CG-CD 4.47Å; L52-K56 WeakPolarHBondContact O-CG 3.48Å; L52-K56 PolarHBondContact O-N 3.43Å; E53-K56 IonicContact OE1-NZ 3.42Å; E53-K56 PolarHBondContact OE1-NZ 3.47Å; K56-G58 VanDerWaalsContact C-N 3.3Å; K56-E81 WeakPolarHBondContact CE-OE1 3.5Å; K56-E81 IonicContact NZ-OE1 2.68Å; K56-E81 PolarHBondContact NZ-OE1 3.13Å
57R98.1Very high97.6Very high42 Ų4226.6 Ų26.616%0.15812%0.12CC..THydrogen-bonded Turntrans-87.17.9174.9-69.6166.9176.874.5-1.6113.7W31 L32 E53 L54 A55W31-R57 VanDerWaalsContact CD2-O 3.25Å; W31-R57 HydrophobicContact CE3-CB 4.28Å; W31-R57 VanDerWaalsContact CE3-O 3.3Å; W31-R57 VanDerWaalsContact CZ3-C 3.45Å; W31-R57 HydrophobicContact CZ3-CB 4.45Å; L32-R57 WeakPolarHBondContact CA-O 3.44Å; L32-R57 HydrophobicContact CB-CB 4.35Å; L32-R57 HydrophobicContact CD1-CB 4.44Å; L32-R57 HydrophobicContact CG-CB 4.26Å; L32-R57 PolarHBondContact N-O 2.79Å; E53-R57 WeakPolarHBondContact O-CD 3.11Å; E53-R57 WeakPolarHBondContact O-CG 3.13Å; E53-R57 PolarHBondContact O-N 2.72Å; E53-R57 PolarHBondContact O-NH1 3.28Å; E53-R57 IonicContact OE2-CZ 2.68Å; E53-R57 IonicContact OE2-NH1 3.81Å; E53-R57 PolarHBondContact OE2-NH1 3.38Å; E53-R57 IonicContact OE2-NH2 2.86Å; L54-R57 CarbonylContact O-C 3.55Å; L54-R57 WeakPolarHBondContact O-CA 3.39Å; L54-R57 WeakPolarHBondContact O-CB 3.28Å; L54-R57 PolarHBondContact O-N 3.2Å; L54-R57 VanDerWaalsContact O-N 3.12Å; A55-R57 PolarHBondContact O-N 3.36Å
58G98.1Very high97.7Very high12 Ų1231.2 Ų31.212%0.12414%0.139CC..THydrogen-bonded Turntrans83.59.3175.600000115.5K33 L54 A55 K56K33-G58 WeakPolarHBondContact CA-O 3.37Å; L54-G58 PolarHBondContact O-N 3.11Å; A55-G58 PolarHBondContact O-N 3.27Å; K56-G58 VanDerWaalsContact C-N 3.3Å
59A98.6Very high97.8Very high0 Ų034.4 Ų34.40%016%0.155CC..  trans-65.8149.6177.200000112.3L32 V37 L54 V61 N84L32-A59 HydrophobicContact CB-CB 3.71Å; L32-A59 HydrophobicContact CD1-CB 3.88Å; L32-A59 HydrophobicContact CG-CB 4.5Å; L32-A59 WeakPolarHBondContact O-CA 3.22Å; V37-A59 HydrophobicContact CG2-CB 4.01Å; L54-A59 HydrophobicContact CB-CB 4.37Å; L54-A59 VanDerWaalsContact O-CB 3.3Å; L54-A59 WeakPolarHBondContact O-CB 3.17Å; L54-A59 PolarHBondContact O-N 2.89Å; A59-V61 HydrophobicContact CB-CG2 3.78Å; A59-V61 PolarHBondContact O-N 3.1Å; A59-N84 PolarHBondContact O-ND2 2.84Å
60R98.6Very high97.7Very high68 Ų6839 Ų3926%0.25717%0.172SC..EExtended strand (participates in β ladder)trans-77.4112.5156.9176.2171179.675.4-1.3108.1K35 T36 V37 Q86 E111K35-R60 PolarHBondContact O-N 2.85Å; T36-R60 CarbonylContact C-O 3.41Å; T36-R60 WeakPolarHBondContact CA-O 3.28Å; T36-R60 HydrophobicContact CG2-CG 4.41Å; V37-R60 PolarHBondContact N-O 2.87Å; R60-Q86 CarbonylContact C-O 3.12Å; R60-Q86 WeakPolarHBondContact CA-O 3.44Å; R60-Q86 HydrophobicContact CB-CB 4.21Å; R60-Q86 HydrophobicContact CG-CB 4.4Å; R60-E111 WeakPolarHBondContact CD-OE2 3.03Å; R60-E111 IonicContact CZ-OE1 2.81Å; R60-E111 IonicContact CZ-OE2 3.49Å; R60-E111 IonicContact NE-OE1 2.68Å; R60-E111 PolarHBondContact NE-OE1 2.68Å; R60-E111 IonicContact NE-OE2 3.96Å; R60-E111 PolarHBondContact NE-OE2 2.85Å; R60-E111 IonicContact NH2-OE1 3.68Å; R60-E111 PolarHBondContact NH2-OE1 2.89Å; R60-E111 IonicContact NH2-OE2 3.87Å
61V98.9Very high97.6Very high0 Ų039 Ų390%017%0.172CC..EExtended strand (participates in β ladder)trans-111.2122.3-173-1710000110.5V37 V39 A51 L54 A55 A59 L63 Q86 V87 V88V37-V61 WeakPolarHBondContact O-CA 3.47Å; V39-V61 HydrophobicContact CG2-CG1 4.28Å; A51-V61 HydrophobicContact CB-CG1 3.87Å; L54-V61 HydrophobicContact CB-CG2 4.09Å; A55-V61 HydrophobicContact CB-CG2 4.03Å; A59-V61 HydrophobicContact CB-CG2 3.78Å; A59-V61 PolarHBondContact O-N 3.1Å; V61-L63 HydrophobicContact CG1-CD1 4.06Å; V61-Q86 PolarHBondContact N-O 3.16Å; V61-V87 HydrophobicContact CB-CG1 4.43Å; V61-V87 HydrophobicContact CB-CG2 4.26Å; V61-V87 CarbonylContact O-C 3.58Å; V61-V87 WeakPolarHBondContact O-CA 3.31Å; V61-V88 PolarHBondContact O-N 2.82Å
62I98.9Very high97.6Very high0 Ų043.5 Ų43.50%019%0.193CC..EExtended strand (participates in β ladder)trans-101.3111.2175.1-65.4152000108.4T36 V37 V38 V39 A64 V88 M90 F103 F107 E111T36-I62 HydrophobicContact CG2-CD1 3.67Å; V37-I62 PolarHBondContact O-N 3.49Å; V38-I62 HydrophobicContact CG2-CB 4.12Å; V38-I62 HydrophobicContact CG2-CD1 4.14Å; V38-I62 HydrophobicContact CG2-CG2 4.41Å; V39-I62 PolarHBondContact N-O 3.26Å; I62-A64 PolarHBondContact O-N 2.85Å; I62-V88 CarbonylContact C-O 3.58Å; I62-V88 WeakPolarHBondContact CA-O 3.18Å; I62-V88 HydrophobicContact CB-CG2 4.34Å; I62-V88 HydrophobicContact CG1-CG2 3.56Å; I62-M90 HydrophobicContact CG2-CB 3.76Å; I62-F103 HydrophobicContact CG2-CE2 4.37Å; I62-F103 HydrophobicContact CG2-CZ 4.31Å; I62-F107 HydrophobicContact CD1-CD2 3.81Å; I62-F107 HydrophobicContact CD1-CE2 3.4Å; I62-E111 HydrophobicContact CD1-CG 3.65Å
63L98.8Very high97.5Very high0 Ų045 Ų450%021%0.209CC..EExtended strand (participates in β ladder)trans-78101171.5-79.570.3000108.4S42 A51 V61 C65 A74 V75 I78 V87 V88 F89 M90S42-L63 WeakPolarHBondContact O-CD2 3.28Å; S42-L63 VanDerWaalsContact OG-CA 3.23Å; S42-L63 WeakPolarHBondContact OG-CA 3.25Å; S42-L63 WeakPolarHBondContact OG-CB 3.24Å; S42-L63 WeakPolarHBondContact OG-CG 3.46Å; A51-L63 HydrophobicContact CB-CD1 4.24Å; V61-L63 HydrophobicContact CG1-CD1 4.06Å; L63-C65 PolarHBondContact O-N 2.88Å; L63-A74 HydrophobicContact CD2-CB 3.9Å; L63-V75 HydrophobicContact CD1-CG2 4.36Å; L63-V75 HydrophobicContact CD2-CG2 3.98Å; L63-I78 HydrophobicContact CD1-CD1 4.21Å; L63-I78 HydrophobicContact CD2-CD1 3.89Å; L63-V87 HydrophobicContact CD1-CG1 3.34Å; L63-V88 PolarHBondContact N-O 2.94Å; L63-F89 WeakPolarHBondContact O-CD2 3.12Å; L63-M90 PolarHBondContact O-N 2.84Å
64A98.6Very high97.5Very high1 Ų143 Ų431%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-89.698.6178.800000109.9V38 V39 T40 G41 I62 M90 L92 F103V38-A64 HydrophobicContact CG1-CB 3.94Å; V39-A64 PolarHBondContact O-N 2.79Å; T40-A64 CarbonylContact C-O 3.48Å; T40-A64 WeakPolarHBondContact CA-O 3.28Å; T40-A64 HydrophobicContact CG2-CB 4.32Å; G41-A64 PolarHBondContact N-O 3.31Å; I62-A64 PolarHBondContact O-N 2.85Å; A64-M90 WeakPolarHBondContact CA-O 3.31Å; A64-L92 HydrophobicContact CB-CB 4.05Å; A64-L92 HydrophobicContact CB-CD2 3.69Å; A64-F103 HydrophobicContact CB-CD2 4.38Å; A64-F103 HydrophobicContact CB-CE2 3.45Å; A64-F103 VanDerWaalsContact CB-CE2 3.45Å; A64-F103 HydrophobicContact CB-CZ 3.64Å
65C97.1Very high97.5Very high2 Ų243.6 Ų43.61%0.01420%0.203CC..EExtended strand (participates in β ladder)trans-136152.4-167.2-68.80000112.4S42 N43 L63 A71 F89 M90 Q91 L92S42-C65 PolarHBondContact N-SG 2.87Å; N43-C65 HydrophobicContact CB-CB 4.44Å; N43-C65 PolarHBondContact N-SG 2.86Å; N43-C65 VanDerWaalsContact N-SG 3.36Å; L63-C65 PolarHBondContact O-N 2.88Å; C65-A71 HydrophobicContact CB-CB 3.68Å; C65-F89 HydrophobicContact CB-CD2 4.34Å; C65-F89 HydrophobicContact CB-CE2 4.07Å; C65-F89 WeakPolarHBondContact O-CE2 3.44Å; C65-M90 PolarHBondContact N-O 2.77Å; C65-Q91 WeakPolarHBondContact O-CA 3.48Å; C65-L92 CarbonylContact C-O 3.57Å; C65-L92 PolarHBondContact O-N 2.88Å
66R94.9Very high97.5Very high157 Ų15750.4 Ų50.459%0.59223%0.233SC*.SBendtrans-75.4-48.3179.5-179.617969.5-175.54.2113.3L92 D93R66-L92 VanDerWaalsContact CA-O 3.25Å; R66-L92 WeakPolarHBondContact CA-O 3.28Å; R66-L92 PolarHBondContact N-O 3.4Å; R66-D93 HydrophobicContact CB-CB 4.46Å; R66-D93 WeakPolarHBondContact CD-OD1 3.49Å; R66-D93 WeakPolarHBondContact CD-OD2 3.47Å; R66-D93 HydrophobicContact CG-CB 3.97Å; R66-D93 WeakPolarHBondContact CG-OD2 3.25Å
67N95.6Very high97.5Very high58 Ų5850.2 Ų50.231%0.3124%0.235SC..  trans-94.8117.4-174.9176.2-91.4000110.1E69 K70 A71N67-E69 PolarHBondContact ND2-OE2 2.96Å; N67-E69 PolarHBondContact OD1-N 2.88Å; N67-E69 PolarHBondContact OD1-OE2 3.41Å; N67-K70 WeakPolarHBondContact OD1-CB 3.35Å; N67-K70 WeakPolarHBondContact OD1-CG 3.38Å; N67-K70 PolarHBondContact OD1-N 3.28Å; N67-A71 VanDerWaalsContact O-CB 3.28Å; N67-A71 WeakPolarHBondContact O-CB 3.24Å; N67-A71 PolarHBondContact O-N 2.98Å; N67-A71 VanDerWaalsContact O-N 3.14Å
68K96.5Very high97.5Very high98 Ų9848.2 Ų48.243%0.42623%0.228SC..Hα-helixtrans-62.4-49.4-175.7177.3174.5179-175.40112K70 A71 E72 F89K68-K70 PolarHBondContact O-N 2.96Å; K68-A71 PolarHBondContact O-N 2.87Å; K68-A71 VanDerWaalsContact O-N 3.08Å; K68-E72 WeakPolarHBondContact CE-OE1 3.3Å; K68-E72 HydrophobicContact CG-CG 4.25Å; K68-E72 IonicContact NZ-OE1 3.43Å; K68-E72 WeakPolarHBondContact O-CG 3.3Å; K68-E72 PolarHBondContact O-N 3.16Å; K68-F89 HydrophobicContact CB-CE1 3.95Å; K68-F89 HydrophobicContact CB-CZ 3.97Å; K68-F89 HydrophobicContact CD-CE1 4.3Å; K68-F89 HydrophobicContact CG-CD1 4.3Å; K68-F89 HydrophobicContact CG-CE1 3.66Å; K68-F89 HydrophobicContact CG-CZ 4.21Å
69E97.2Very high97.6Very high125 Ų12552.7 Ų52.758%0.58424%0.241SC*.Hα-helixtrans-63.1-46-172.2-58.470.8-145.700111.2N67 A71 E72 A73N67-E69 PolarHBondContact ND2-OE2 2.96Å; N67-E69 PolarHBondContact OD1-N 2.88Å; N67-E69 PolarHBondContact OD1-OE2 3.41Å; E69-A71 VanDerWaalsContact C-N 3.31Å; E69-A71 PolarHBondContact O-N 3.11Å; E69-E72 PolarHBondContact O-N 3.36Å; E69-A73 PolarHBondContact O-N 3.3Å
70K94.1Very high97.6Very high118 Ų11857.1 Ų57.151%0.51327%0.272SS..Hα-helixtrans-66.5-34.2176.1-69.6179-177.6-173.80112.1N43 N67 K68 A74N43-K70 HydrophobicContact CB-CB 4.45Å; N67-K70 WeakPolarHBondContact OD1-CB 3.35Å; N67-K70 WeakPolarHBondContact OD1-CG 3.38Å; N67-K70 PolarHBondContact OD1-N 3.28Å; K68-K70 PolarHBondContact O-N 2.96Å; K70-A74 WeakPolarHBondContact O-CB 3.26Å; K70-A74 PolarHBondContact O-N 3.42Å; K70-A74 VanDerWaalsContact O-N 3.08Å
71A95.8Very high97.5Very high0 Ų059.4 Ų59.40%029%0.286CS..Hα-helixtrans-72-42.1178.500000111.6N43 C65 N67 K68 E69 A74 V75 F89N43-A71 HydrophobicContact CB-CB 4.31Å; C65-A71 HydrophobicContact CB-CB 3.68Å; N67-A71 VanDerWaalsContact O-CB 3.28Å; N67-A71 WeakPolarHBondContact O-CB 3.24Å; N67-A71 PolarHBondContact O-N 2.98Å; N67-A71 VanDerWaalsContact O-N 3.14Å; K68-A71 PolarHBondContact O-N 2.87Å; K68-A71 VanDerWaalsContact O-N 3.08Å; E69-A71 VanDerWaalsContact C-N 3.31Å; E69-A71 PolarHBondContact O-N 3.11Å; A71-A74 CarbonylContact O-C 3.51Å; A71-A74 WeakPolarHBondContact O-CB 3.44Å; A71-A74 PolarHBondContact O-N 3.24Å; A71-A74 VanDerWaalsContact O-N 3.16Å; A71-V75 WeakPolarHBondContact O-CG2 3.44Å; A71-V75 PolarHBondContact O-N 3.34Å; A71-F89 HydrophobicContact CB-CB 4.42Å; A71-F89 HydrophobicContact CB-CD2 3.26Å; A71-F89 HydrophobicContact CB-CE2 3.6Å; A71-F89 HydrophobicContact CB-CG 3.92Å
72E97.5Very high97.5Very high95 Ų9560.6 Ų60.644%0.44429%0.294SS..Hα-helixtrans-63.4-40.3175.7-72.8177.7162.900111.8K68 E69 A74 V75 F76 F89K68-E72 WeakPolarHBondContact CE-OE1 3.3Å; K68-E72 HydrophobicContact CG-CG 4.25Å; K68-E72 IonicContact NZ-OE1 3.43Å; K68-E72 WeakPolarHBondContact O-CG 3.3Å; K68-E72 PolarHBondContact O-N 3.16Å; E69-E72 PolarHBondContact O-N 3.36Å; E72-A74 PolarHBondContact O-N 2.83Å; E72-V75 PolarHBondContact O-N 2.83Å; E72-F76 PolarHBondContact O-N 3.17Å; E72-F89 HydrophobicContact CG-CD1 4.35Å
73A97.9Very high97.4Very high51 Ų5163.6 Ų63.642%0.42133%0.325SS..Hα-helixtrans-59.9-44.7170.800000111.8E69 V75 F76 D77E69-A73 PolarHBondContact O-N 3.3Å; A73-V75 PolarHBondContact O-N 3.49Å; A73-F76 PolarHBondContact O-N 3.12Å; A73-D77 VanDerWaalsContact O-CG 3.3Å; A73-D77 PolarHBondContact O-N 3.25Å
74A97.8Very high97.4Very high2 Ų264.4 Ų64.42%0.01733%0.329CS..Hα-helixtrans-65-37.1176.400000112.9N43 K48 L63 K70 A71 E72 D77 I78N43-A74 HydrophobicContact CB-CB 4.22Å; K48-A74 HydrophobicContact CD-CB 4.23Å; K48-A74 HydrophobicContact CG-CB 4.48Å; L63-A74 HydrophobicContact CD2-CB 3.9Å; K70-A74 WeakPolarHBondContact O-CB 3.26Å; K70-A74 PolarHBondContact O-N 3.42Å; K70-A74 VanDerWaalsContact O-N 3.08Å; A71-A74 CarbonylContact O-C 3.51Å; A71-A74 WeakPolarHBondContact O-CB 3.44Å; A71-A74 PolarHBondContact O-N 3.24Å; A71-A74 VanDerWaalsContact O-N 3.16Å; E72-A74 PolarHBondContact O-N 2.83Å; A74-D77 PolarHBondContact O-N 3.48Å; A74-I78 WeakPolarHBondContact O-CB 3.47Å; A74-I78 WeakPolarHBondContact O-CG1 3.49Å; A74-I78 PolarHBondContact O-N 3.05Å
75V98.6Very high97.4Very high12 Ų1268.8 Ų68.87%0.07336%0.358CS..Hα-helixtrans-60.5-47.1173.3168.20000110.2L63 A71 E72 A73 I78 R79 V87 F89L63-V75 HydrophobicContact CD1-CG2 4.36Å; L63-V75 HydrophobicContact CD2-CG2 3.98Å; A71-V75 WeakPolarHBondContact O-CG2 3.44Å; A71-V75 PolarHBondContact O-N 3.34Å; E72-V75 PolarHBondContact O-N 2.83Å; A73-V75 PolarHBondContact O-N 3.49Å; V75-I78 PolarHBondContact O-N 3.08Å; V75-R79 HydrophobicContact CG1-CG 4.29Å; V75-R79 WeakPolarHBondContact O-CB 3.5Å; V75-R79 VanDerWaalsContact O-CG 3.26Å; V75-R79 WeakPolarHBondContact O-CG 3.43Å; V75-R79 PolarHBondContact O-N 2.9Å; V75-V87 HydrophobicContact CG1-CG1 4.4Å; V75-V87 WeakPolarHBondContact CG1-O 3.07Å; V75-V87 HydrophobicContact CG2-CG1 4.38Å; V75-F89 HydrophobicContact CG2-CB 3.95Å
76F98.4Very high97.4Very high144 Ų14472.8 Ų72.863%0.63238%0.376SS*.Hα-helixtrans-57.6-51.2177.5176.5-93.7000111.4E72 A73 I78 R79 S80E72-F76 PolarHBondContact O-N 3.17Å; A73-F76 PolarHBondContact O-N 3.12Å; F76-I78 PolarHBondContact O-N 2.82Å; F76-R79 PolarHBondContact O-N 2.89Å; F76-S80 WeakPolarHBondContact O-CB 3.4Å; F76-S80 PolarHBondContact O-N 3.45Å
77D98.1Very high97.6Very high69 Ų6965.3 Ų65.337%0.36935%0.348SS..Hα-helixtrans-58.7-47.1179.8-66.4-17.4000111.7K48 A73 A74 S80 E81K48-D77 IonicContact NZ-OD2 3.9Å; K48-D77 PolarHBondContact NZ-OD2 3.43Å; A73-D77 VanDerWaalsContact O-CG 3.3Å; A73-D77 PolarHBondContact O-N 3.25Å; A74-D77 PolarHBondContact O-N 3.48Å; D77-S80 PolarHBondContact O-N 2.89Å; D77-E81 WeakPolarHBondContact O-CB 3.22Å; D77-E81 PolarHBondContact O-N 3.29Å
78I98.6Very high97.7Very high1 Ų164 Ų641%0.00534%0.342CS..Hα-helixtrans-65.1-43.4-178.7-68.4168.3000110.7K48 A51 L52 A55 L63 A74 V75 F76 S80 E81 S82 V87K48-I78 HydrophobicContact CG-CD1 4.06Å; K48-I78 HydrophobicContact CG-CG1 4.29Å; A51-I78 HydrophobicContact CB-CD1 3.87Å; L52-I78 HydrophobicContact CB-CG1 4.2Å; L52-I78 HydrophobicContact CB-CG2 4.43Å; L52-I78 HydrophobicContact CD1-CB 4.48Å; L52-I78 HydrophobicContact CD1-CG1 4.48Å; L52-I78 HydrophobicContact CD1-CG2 4.07Å; A55-I78 HydrophobicContact CB-CG2 3.72Å; L63-I78 HydrophobicContact CD1-CD1 4.21Å; L63-I78 HydrophobicContact CD2-CD1 3.89Å; A74-I78 WeakPolarHBondContact O-CB 3.47Å; A74-I78 WeakPolarHBondContact O-CG1 3.49Å; A74-I78 PolarHBondContact O-N 3.05Å; V75-I78 PolarHBondContact O-N 3.08Å; F76-I78 PolarHBondContact O-N 2.82Å; I78-S80 VanDerWaalsContact C-N 3.31Å; I78-S80 PolarHBondContact O-N 3.41Å; I78-E81 PolarHBondContact O-N 2.82Å; I78-S82 WeakPolarHBondContact O-CB 3.27Å; I78-S82 PolarHBondContact O-N 2.86Å; I78-S82 PolarHBondContact O-OG 2.62Å; I78-V87 HydrophobicContact CB-CG1 4.29Å; I78-V87 HydrophobicContact CG2-CB 4.4Å; I78-V87 HydrophobicContact CG2-CG1 4Å; I78-V87 HydrophobicContact CG2-CG2 3.87Å
79R98.6Very high97.8Very high106 Ų10661.6 Ų61.640%0.433%0.332SS..Hα-helixtrans-61-43.5177.4-74177.5173.9-175.7-2.8111.1V75 F76 G83 N84 P85 V87V75-R79 HydrophobicContact CG1-CG 4.29Å; V75-R79 WeakPolarHBondContact O-CB 3.5Å; V75-R79 VanDerWaalsContact O-CG 3.26Å; V75-R79 WeakPolarHBondContact O-CG 3.43Å; V75-R79 PolarHBondContact O-N 2.9Å; F76-R79 PolarHBondContact O-N 2.89Å; R79-G83 WeakPolarHBondContact O-CA 3.22Å; R79-G83 PolarHBondContact O-N 3.19Å; R79-N84 WeakPolarHBondContact CG-O 3.49Å; R79-P85 PolarHBondContact NE-O 3.01Å; R79-P85 PolarHBondContact NH2-O 3Å; R79-V87 HydrophobicContact CG-CB 3.97Å; R79-V87 PolarHBondContact NE-O 3.28Å; R79-V87 PolarHBondContact NH2-O 2.79Å
80S98.3Very high97.9Very high92 Ų9256.7 Ų56.764%0.64331%0.309SS*.Hα-helixtrans-60.9-48.1177.9-172.50000111.6F76 D77 I78F76-S80 WeakPolarHBondContact O-CB 3.4Å; F76-S80 PolarHBondContact O-N 3.45Å; D77-S80 PolarHBondContact O-N 2.89Å; I78-S80 VanDerWaalsContact C-N 3.31Å; I78-S80 PolarHBondContact O-N 3.41Å
81E97.9Very high98.1Very high117 Ų11756.8 Ų56.855%0.54731%0.311SS..Hα-helixtrans-77-35.4-176.6-168.1-173.215200113.5L52 K56 D77 I78L52-E81 HydrophobicContact CD1-CB 3.87Å; L52-E81 HydrophobicContact CD1-CG 4.07Å; L52-E81 VanDerWaalsContact CD2-CD 3.48Å; L52-E81 WeakPolarHBondContact CD2-OE1 3.3Å; L52-E81 VanDerWaalsContact CD2-OE2 3.23Å; L52-E81 WeakPolarHBondContact CD2-OE2 3.15Å; K56-E81 WeakPolarHBondContact CE-OE1 3.5Å; K56-E81 IonicContact NZ-OE1 2.68Å; K56-E81 PolarHBondContact NZ-OE1 3.13Å; D77-E81 WeakPolarHBondContact O-CB 3.22Å; D77-E81 PolarHBondContact O-N 3.29Å; I78-E81 PolarHBondContact O-N 2.82Å
82S98Very high98.2Very high24 Ų2457 Ų5717%0.16831%0.312CS..Hα-helixtrans-86.3-19.2-178.965.10000114.1I78 N84I78-S82 WeakPolarHBondContact O-CB 3.27Å; I78-S82 PolarHBondContact O-N 2.86Å; I78-S82 PolarHBondContact O-OG 2.62Å; S82-N84 PolarHBondContact O-N 3.11Å; S82-N84 WeakPolarHBondContact OG-CB 3.37Å; S82-N84 PolarHBondContact OG-N 3.2Å
83G98.2Very high98.3Very high64 Ų6454.3 Ų54.366%0.6630%0.301SS*.  trans66.16.4-168.600000114R79 P85R79-G83 WeakPolarHBondContact O-CA 3.22Å; R79-G83 PolarHBondContact O-N 3.19Å; G83-P85 WeakPolarHBondContact O-CD 3.35Å
84N98.1Very high98.3Very high16 Ų1652.4 Ų52.49%0.08628%0.284CS..  trans-98.8113.4-176.4-178.6-3.5000110.8A55 A59 R79 S82 Q86A55-N84 HydrophobicContact CB-CB 4.47Å; A55-N84 WeakPolarHBondContact O-CB 3.46Å; A55-N84 PolarHBondContact O-ND2 3.07Å; A59-N84 PolarHBondContact O-ND2 2.84Å; R79-N84 WeakPolarHBondContact CG-O 3.49Å; S82-N84 PolarHBondContact O-N 3.11Å; S82-N84 WeakPolarHBondContact OG-CB 3.37Å; S82-N84 PolarHBondContact OG-N 3.2Å; N84-Q86 PolarHBondContact O-N 3.45Å; N84-Q86 VanDerWaalsContact OD1-CB 3.3Å; N84-Q86 WeakPolarHBondContact OD1-CB 3.2Å; N84-Q86 PolarHBondContact OD1-N 3.01Å
85P97.6Very high98.3Very high94 Ų9452.8 Ų52.861%0.6129%0.287SS*.SBendtrans-74-11.9-179.631.5-36000113.4R79 G83 V87R79-P85 PolarHBondContact NE-O 3.01Å; R79-P85 PolarHBondContact NH2-O 3Å; G83-P85 WeakPolarHBondContact O-CD 3.35Å; P85-V87 PolarHBondContact O-N 2.51Å; P85-V87 VanDerWaalsContact O-N 3.07Å
86Q97.9Very high98.3Very high86 Ų8652.4 Ų52.440%0.40229%0.285SS..  trans-82.826.6-174.1-56.2-166.9-30.500114R60 V61 N84R60-Q86 CarbonylContact C-O 3.12Å; R60-Q86 WeakPolarHBondContact CA-O 3.44Å; R60-Q86 HydrophobicContact CB-CB 4.21Å; R60-Q86 HydrophobicContact CG-CB 4.4Å; V61-Q86 PolarHBondContact N-O 3.16Å; N84-Q86 PolarHBondContact O-N 3.45Å; N84-Q86 VanDerWaalsContact OD1-CB 3.3Å; N84-Q86 WeakPolarHBondContact OD1-CB 3.2Å; N84-Q86 PolarHBondContact OD1-N 3.01Å
87V98.7Very high98.3Very high0 Ų046.2 Ų46.20%026%0.258CS..EExtended strand (participates in β ladder)trans-99.9122.4173.9-177.60000108.7A55 V61 L63 V75 I78 R79 P85A55-V87 HydrophobicContact CB-CG2 3.55Å; V61-V87 HydrophobicContact CB-CG1 4.43Å; V61-V87 HydrophobicContact CB-CG2 4.26Å; V61-V87 CarbonylContact O-C 3.58Å; V61-V87 WeakPolarHBondContact O-CA 3.31Å; L63-V87 HydrophobicContact CD1-CG1 3.34Å; V75-V87 HydrophobicContact CG1-CG1 4.4Å; V75-V87 WeakPolarHBondContact CG1-O 3.07Å; V75-V87 HydrophobicContact CG2-CG1 4.38Å; I78-V87 HydrophobicContact CB-CG1 4.29Å; I78-V87 HydrophobicContact CG2-CB 4.4Å; I78-V87 HydrophobicContact CG2-CG1 4Å; I78-V87 HydrophobicContact CG2-CG2 3.87Å; R79-V87 HydrophobicContact CG-CB 3.97Å; R79-V87 PolarHBondContact NE-O 3.28Å; R79-V87 PolarHBondContact NH2-O 2.79Å; P85-V87 PolarHBondContact O-N 2.51Å; P85-V87 VanDerWaalsContact O-N 3.07Å
88V98.3Very high98.3Very high31 Ų3150.9 Ų50.919%0.18828%0.275CS..EExtended strand (participates in β ladder)trans-132.6155.3-174.5-61.60000111V61 I62 L63V61-V88 PolarHBondContact O-N 2.82Å; I62-V88 CarbonylContact C-O 3.58Å; I62-V88 WeakPolarHBondContact CA-O 3.18Å; I62-V88 HydrophobicContact CB-CG2 4.34Å; I62-V88 HydrophobicContact CG1-CG2 3.56Å; L63-V88 PolarHBondContact N-O 2.94Å
89F98.6Very high98.3Very high47 Ų4752 Ų5221%0.20628%0.283CS..EExtended strand (participates in β ladder)trans-96.4141.5172.4160.1-111.1000110L63 C65 K68 A71 E72 V75 Q91L63-F89 WeakPolarHBondContact O-CD2 3.12Å; C65-F89 HydrophobicContact CB-CD2 4.34Å; C65-F89 HydrophobicContact CB-CE2 4.07Å; C65-F89 WeakPolarHBondContact O-CE2 3.44Å; K68-F89 HydrophobicContact CB-CE1 3.95Å; K68-F89 HydrophobicContact CB-CZ 3.97Å; K68-F89 HydrophobicContact CD-CE1 4.3Å; K68-F89 HydrophobicContact CG-CD1 4.3Å; K68-F89 HydrophobicContact CG-CE1 3.66Å; K68-F89 HydrophobicContact CG-CZ 4.21Å; A71-F89 HydrophobicContact CB-CB 4.42Å; A71-F89 HydrophobicContact CB-CD2 3.26Å; A71-F89 HydrophobicContact CB-CE2 3.6Å; A71-F89 HydrophobicContact CB-CG 3.92Å; E72-F89 HydrophobicContact CG-CD1 4.35Å; V75-F89 HydrophobicContact CG2-CB 3.95Å; F89-Q91 HydrophobicContact CE1-CB 4.32Å; F89-Q91 HydrophobicContact CE2-CB 4.38Å; F89-Q91 HydrophobicContact CZ-CB 3.68Å; F89-Q91 HydrophobicContact CZ-CG 4.23Å
90M98.6Very high98.3Very high21 Ų2146.9 Ų46.910%0.10326%0.264CS..EExtended strand (participates in β ladder)trans-138.6132.9165.8-174-176.8-64.200109I62 L63 A64 C65 L92 F103 T106 F107I62-M90 HydrophobicContact CG2-CB 3.76Å; L63-M90 PolarHBondContact O-N 2.84Å; A64-M90 WeakPolarHBondContact CA-O 3.31Å; C65-M90 PolarHBondContact N-O 2.77Å; M90-L92 PolarHBondContact O-N 3.48Å; M90-F103 HydrophobicContact CB-CD2 4.15Å; M90-F103 HydrophobicContact CB-CE2 3.72Å; M90-F103 HydrophobicContact CG-CD2 3.57Å; M90-F103 HydrophobicContact CG-CE2 3.57Å; M90-F103 HydrophobicContact SD-CD2 3.57Å; M90-F103 VanDerWaalsContact SD-CD2 3.57Å; M90-F103 HydrophobicContact SD-CE1 4.5Å; M90-F103 HydrophobicContact SD-CE2 3.44Å; M90-F103 WeakPolarHBondContact SD-CE2 3.5Å; M90-F103 HydrophobicContact SD-CG 4.21Å; M90-F103 HydrophobicContact SD-CZ 3.93Å; M90-T106 HydrophobicContact CE-CG2 4.18Å; M90-T106 HydrophobicContact SD-CG2 4.17Å; M90-F107 HydrophobicContact CE-CB 4.3Å; M90-F107 HydrophobicContact CE-CD2 4.45Å; M90-F107 HydrophobicContact SD-CB 3.96Å
91Q98.6Very high98.3Very high120 Ų12046.7 Ų46.756%0.56125%0.249SC*.EExtended strand (participates in β ladder)trans-72127.3-171.9-172171.42.400111.6C65 F89 F103C65-Q91 WeakPolarHBondContact O-CA 3.48Å; F89-Q91 HydrophobicContact CE1-CB 4.32Å; F89-Q91 HydrophobicContact CE2-CB 4.38Å; F89-Q91 HydrophobicContact CZ-CB 3.68Å; F89-Q91 HydrophobicContact CZ-CG 4.23Å; Q91-F103 WeakPolarHBondContact O-CD2 3.24Å
92L98.8Very high98.4Very high5 Ų544.1 Ų44.13%0.02624%0.244CC..  trans-144.7115.7176.9175.764.7000110T40 A64 C65 R66 M90 L94 V100 F103 L147T40-L92 HydrophobicContact CG2-CD2 3.75Å; A64-L92 HydrophobicContact CB-CB 4.05Å; A64-L92 HydrophobicContact CB-CD2 3.69Å; C65-L92 CarbonylContact C-O 3.57Å; C65-L92 PolarHBondContact O-N 2.88Å; R66-L92 VanDerWaalsContact CA-O 3.25Å; R66-L92 WeakPolarHBondContact CA-O 3.28Å; R66-L92 PolarHBondContact N-O 3.4Å; M90-L92 PolarHBondContact O-N 3.48Å; L92-L94 HydrophobicContact CD1-CD2 4.43Å; L92-L94 HydrophobicContact CD2-CD2 4.16Å; L92-L94 HydrophobicContact CD2-CG 4.16Å; L92-L94 HydrophobicContact CG-CD2 4.43Å; L92-L94 HydrophobicContact CG-CG 4.2Å; L92-V100 HydrophobicContact CD1-CB 4.4Å; L92-V100 HydrophobicContact CD1-CG2 4.03Å; L92-F103 HydrophobicContact CB-CB 4.42Å; L92-F103 HydrophobicContact CB-CD2 3.69Å; L92-F103 HydrophobicContact CB-CE2 4.18Å; L92-F103 HydrophobicContact CB-CG 4.14Å; L92-F103 HydrophobicContact CD1-CB 3.76Å; L92-F103 HydrophobicContact CD1-CD1 4.41Å; L92-F103 HydrophobicContact CD1-CD2 4.37Å; L92-F103 HydrophobicContact CD1-CG 3.94Å; L92-F103 HydrophobicContact CG-CD2 4.42Å; L92-F103 HydrophobicContact CG-CG 4.43Å; L92-L147 HydrophobicContact CD2-CD2 3.92Å
93D98.5Very high98.4Very high38 Ų3843.1 Ų43.120%0.20324%0.236CC..  trans-104.6111163.6-163-12.5000110.3R66 A95 S96 S99R66-D93 HydrophobicContact CB-CB 4.46Å; R66-D93 WeakPolarHBondContact CD-OD1 3.49Å; R66-D93 WeakPolarHBondContact CD-OD2 3.47Å; R66-D93 HydrophobicContact CG-CB 3.97Å; R66-D93 WeakPolarHBondContact CG-OD2 3.25Å; D93-A95 PolarHBondContact O-N 3.03Å; D93-A95 WeakPolarHBondContact OD1-CB 3.37Å; D93-A95 PolarHBondContact OD1-N 2.74Å; D93-S96 PolarHBondContact O-N 3.38Å; D93-S96 VanDerWaalsContact O-O 3.11Å; D93-S99 PolarHBondContact N-OG 3.33Å; D93-S99 WeakPolarHBondContact O-CB 3.4Å
94L98.5Very high98.4Very high11 Ų1140.2 Ų40.26%0.05821%0.206CC..THydrogen-bonded Turntrans-73.1-10.9177.9-71.9162000112.9L92 S96 V100 A121 V139 H144L92-L94 HydrophobicContact CD1-CD2 4.43Å; L92-L94 HydrophobicContact CD2-CD2 4.16Å; L92-L94 HydrophobicContact CD2-CG 4.16Å; L92-L94 HydrophobicContact CG-CD2 4.43Å; L92-L94 HydrophobicContact CG-CG 4.2Å; L94-S96 PolarHBondContact O-N 3.44Å; L94-V100 HydrophobicContact CD2-CG2 4.17Å; L94-A121 HydrophobicContact CD1-CB 3.46Å; L94-A121 VanDerWaalsContact CD1-CB 3.46Å; L94-V139 HydrophobicContact CB-CB 4.45Å; L94-V139 HydrophobicContact CB-CG1 3.99Å; L94-V139 HydrophobicContact CD1-CG1 4.48Å; L94-H144 VanDerWaalsContact CD1-NE2 3.33Å; L94-H144 WeakPolarHBondContact CD1-NE2 2.99Å
95A97Very high98.5Very high10 Ų1044.5 Ų44.58%0.08323%0.226CC..THydrogen-bonded Turntrans-84.47.3172.800000113.1D93 T129 E130 L135 V139D93-A95 PolarHBondContact O-N 3.03Å; D93-A95 WeakPolarHBondContact OD1-CB 3.37Å; D93-A95 PolarHBondContact OD1-N 2.74Å; A95-T129 HydrophobicContact CB-CG2 4.2Å; A95-T129 VanDerWaalsContact O-CB 3.25Å; A95-T129 WeakPolarHBondContact O-CB 3.26Å; A95-E130 PolarHBondContact O-N 3.25Å; A95-L135 HydrophobicContact CB-CD1 4.31Å; A95-V139 HydrophobicContact CB-CG2 3.69Å
96S98.3Very high98.5Very high5 Ų542.9 Ų42.94%0.03521%0.214CC..  trans-139.7112176.5174.80000109.6D93 L94 K98 S99 V100 E130D93-S96 PolarHBondContact O-N 3.38Å; D93-S96 VanDerWaalsContact O-O 3.11Å; L94-S96 PolarHBondContact O-N 3.44Å; S96-K98 PolarHBondContact O-N 3.49Å; S96-S99 WeakPolarHBondContact O-CA 3.48Å; S96-S99 WeakPolarHBondContact O-CB 3.42Å; S96-S99 PolarHBondContact O-N 2.64Å; S96-S99 PolarHBondContact OG-N 3.43Å; S96-V100 WeakPolarHBondContact O-CG2 3.46Å; S96-V100 PolarHBondContact O-N 3.11Å; S96-E130 VanDerWaalsContact CB-CD 3.45Å; S96-E130 WeakPolarHBondContact CB-OE2 3.41Å; S96-E130 PolarHBondContact OG-OE2 2.88Å
97L98.4Very high98.6Very high14 Ų1438.8 Ų38.87%0.07320%0.195CC..Hα-helixtrans-62.2-29.1176.8-60.3-172.8000111.6V100 R101 E131 F133 L146 T313L97-V100 PolarHBondContact O-N 3.25Å; L97-R101 WeakPolarHBondContact O-CG 3.43Å; L97-R101 PolarHBondContact O-N 3.33Å; L97-E131 WeakPolarHBondContact CB-OE1 3.4Å; L97-E131 HydrophobicContact CD1-CG 4.02Å; L97-E131 HydrophobicContact CG-CG 4.03Å; L97-E131 WeakPolarHBondContact CG-OE1 3.45Å; L97-E131 PolarHBondContact N-OE1 3.07Å; L97-F133 HydrophobicContact CD1-CE2 4.32Å; L97-L146 HydrophobicContact CB-CD2 3.83Å; L97-L146 HydrophobicContact CD2-CD2 3.76Å; L97-L146 HydrophobicContact CG-CD2 4.24Å; L97-T313 HydrophobicContact CD1-CG2 4.2Å; L97-T313 HydrophobicContact CD2-CG2 4.23Å
98K98.4Very high98.6Very high166 Ų16641.8 Ų41.872%0.72221%0.211SC*.Hα-helixtrans-63.1-44.8170.7-177.4-177.6177.1-177.10111.3S96 V100 R101 S102S96-K98 PolarHBondContact O-N 3.49Å; K98-V100 VanDerWaalsContact C-N 3.33Å; K98-R101 PolarHBondContact O-N 3.07Å; K98-S102 WeakPolarHBondContact O-CB 3.41Å; K98-S102 PolarHBondContact O-N 3.42Å
99S98.8Very high98.6Very high24 Ų2448 Ų4817%0.16824%0.235CC..Hα-helixtrans-62.4-41.4175.3-177.50000111.6D93 S96 R101 S102 F103D93-S99 PolarHBondContact N-OG 3.33Å; D93-S99 WeakPolarHBondContact O-CB 3.4Å; S96-S99 WeakPolarHBondContact O-CA 3.48Å; S96-S99 WeakPolarHBondContact O-CB 3.42Å; S96-S99 PolarHBondContact O-N 2.64Å; S96-S99 PolarHBondContact OG-N 3.43Å; S99-R101 PolarHBondContact O-N 2.98Å; S99-S102 PolarHBondContact O-N 3.39Å; S99-F103 WeakPolarHBondContact O-CB 3.28Å; S99-F103 PolarHBondContact O-N 2.95Å
100V98.9Very high98.5Very high0 Ų049.7 Ų49.70%025%0.249CC..Hα-helixtrans-58.8-45.8175.6177.70000111.7L92 L94 S96 L97 K98 F103 A104 L146 L147 L150L92-V100 HydrophobicContact CD1-CB 4.4Å; L92-V100 HydrophobicContact CD1-CG2 4.03Å; L94-V100 HydrophobicContact CD2-CG2 4.17Å; S96-V100 WeakPolarHBondContact O-CG2 3.46Å; S96-V100 PolarHBondContact O-N 3.11Å; L97-V100 PolarHBondContact O-N 3.25Å; K98-V100 VanDerWaalsContact C-N 3.33Å; V100-F103 PolarHBondContact O-N 3.14Å; V100-A104 PolarHBondContact O-N 3.46Å; V100-L146 HydrophobicContact CB-CD2 4.07Å; V100-L146 HydrophobicContact CB-CG 4.5Å; V100-L146 HydrophobicContact CG1-CB 4.08Å; V100-L146 HydrophobicContact CG1-CD2 3.92Å; V100-L146 HydrophobicContact CG1-CG 3.8Å; V100-L147 HydrophobicContact CG1-CB 3.81Å; V100-L147 HydrophobicContact CG1-CD1 4.35Å; V100-L150 HydrophobicContact CG1-CD1 4.36Å
101R98.8Very high98.5Very high88 Ų8849.1 Ų49.133%0.33225%0.246SC..Hα-helixtrans-63-45.8176.5-70.6172.1-174.3-81.85.1111.8L97 K98 S99 F103 A104 E105 L146 L150 T313 G314L97-R101 WeakPolarHBondContact O-CG 3.43Å; L97-R101 PolarHBondContact O-N 3.33Å; K98-R101 PolarHBondContact O-N 3.07Å; S99-R101 PolarHBondContact O-N 2.98Å; R101-F103 VanDerWaalsContact C-N 3.34Å; R101-F103 PolarHBondContact O-N 3.4Å; R101-A104 PolarHBondContact O-N 3.22Å; R101-E105 WeakPolarHBondContact O-CG 3.26Å; R101-E105 PolarHBondContact O-N 3.04Å; R101-L146 HydrophobicContact CG-CD2 4.19Å; R101-L150 HydrophobicContact CB-CD1 4.49Å; R101-L150 HydrophobicContact CG-CD1 3.91Å; R101-T313 PolarHBondContact NH2-O 3.01Å; R101-G314 PolarHBondContact NH2-O 3.48Å; R101-G314 VanDerWaalsContact NH2-O 3.07Å
102S98.8Very high98.4Very high63 Ų6348.4 Ų48.444%0.44125%0.252SS..Hα-helixtrans-61.8-40.1177.9-177.30000112.7K98 S99 T106K98-S102 WeakPolarHBondContact O-CB 3.41Å; K98-S102 PolarHBondContact O-N 3.42Å; S99-S102 PolarHBondContact O-N 3.39Å; S102-T106 WeakPolarHBondContact O-CB 3.36Å; S102-T106 PolarHBondContact O-N 3.27Å; S102-T106 PolarHBondContact O-OG1 3.15Å
103F98.9Very high98.4Very high2 Ų251.7 Ų51.71%0.00926%0.264CS..Hα-helixtrans-60.1-50.9172.1174.5-85.8000111V38 I62 A64 M90 Q91 L92 S99 V100 R101 E105 T106 F107 L147 L151V38-F103 HydrophobicContact CG1-CE1 4.31Å; V38-F103 HydrophobicContact CG1-CZ 3.85Å; V38-F103 HydrophobicContact CG2-CZ 4.47Å; I62-F103 HydrophobicContact CG2-CE2 4.37Å; I62-F103 HydrophobicContact CG2-CZ 4.31Å; A64-F103 HydrophobicContact CB-CD2 4.38Å; A64-F103 HydrophobicContact CB-CE2 3.45Å; A64-F103 VanDerWaalsContact CB-CE2 3.45Å; A64-F103 HydrophobicContact CB-CZ 3.64Å; M90-F103 HydrophobicContact CB-CD2 4.15Å; M90-F103 HydrophobicContact CB-CE2 3.72Å; M90-F103 HydrophobicContact CG-CD2 3.57Å; M90-F103 HydrophobicContact CG-CE2 3.57Å; M90-F103 HydrophobicContact SD-CD2 3.57Å; M90-F103 VanDerWaalsContact SD-CD2 3.57Å; M90-F103 HydrophobicContact SD-CE1 4.5Å; M90-F103 HydrophobicContact SD-CE2 3.44Å; M90-F103 WeakPolarHBondContact SD-CE2 3.5Å; M90-F103 HydrophobicContact SD-CG 4.21Å; M90-F103 HydrophobicContact SD-CZ 3.93Å; Q91-F103 WeakPolarHBondContact O-CD2 3.24Å; L92-F103 HydrophobicContact CB-CB 4.42Å; L92-F103 HydrophobicContact CB-CD2 3.69Å; L92-F103 HydrophobicContact CB-CE2 4.18Å; L92-F103 HydrophobicContact CB-CG 4.14Å; L92-F103 HydrophobicContact CD1-CB 3.76Å; L92-F103 HydrophobicContact CD1-CD1 4.41Å; L92-F103 HydrophobicContact CD1-CD2 4.37Å; L92-F103 HydrophobicContact CD1-CG 3.94Å; L92-F103 HydrophobicContact CG-CD2 4.42Å; L92-F103 HydrophobicContact CG-CG 4.43Å; S99-F103 WeakPolarHBondContact O-CB 3.28Å; S99-F103 PolarHBondContact O-N 2.95Å; V100-F103 PolarHBondContact O-N 3.14Å; R101-F103 VanDerWaalsContact C-N 3.34Å; R101-F103 PolarHBondContact O-N 3.4Å; F103-E105 PolarHBondContact O-N 3.41Å; F103-T106 PolarHBondContact O-N 3.07Å; F103-F107 HydrophobicContact CE1-CB 4.34Å; F103-F107 WeakPolarHBondContact O-CB 3.42Å; F103-F107 PolarHBondContact O-N 3.08Å; F103-L147 HydrophobicContact CD1-CD1 3.47Å; F103-L147 VanDerWaalsContact CD1-CD1 3.47Å; F103-L147 HydrophobicContact CE1-CD1 3.71Å; F103-L151 HydrophobicContact CE1-CD1 4.29Å
104A98.9Very high98.4Very high3 Ų349.9 Ų49.93%0.02526%0.255CS..Hα-helixtrans-62.2-43.8-177.900000111.9V100 R101 T106 F107 L108 L150 L151V100-A104 PolarHBondContact O-N 3.46Å; R101-A104 PolarHBondContact O-N 3.22Å; A104-T106 PolarHBondContact O-N 3.28Å; A104-F107 PolarHBondContact O-N 3.41Å; A104-L108 WeakPolarHBondContact O-CB 3.34Å; A104-L108 WeakPolarHBondContact O-CG 3.45Å; A104-L108 PolarHBondContact O-N 2.6Å; A104-L150 HydrophobicContact CB-CB 3.73Å; A104-L150 HydrophobicContact CB-CD1 3.79Å; A104-L150 HydrophobicContact CB-CG 4.39Å; A104-L151 HydrophobicContact CB-CD2 4.13Å
105E98.8Very high98.4Very high107 Ų10749.6 Ų49.650%0.525%0.253SS..Hα-helixtrans-59.7-45.6174.7-74.9177.1-157.300112.2R101 F103 K109R101-E105 WeakPolarHBondContact O-CG 3.26Å; R101-E105 PolarHBondContact O-N 3.04Å; F103-E105 PolarHBondContact O-N 3.41Å; E105-K109 WeakPolarHBondContact O-CB 3.25Å; E105-K109 WeakPolarHBondContact O-CD 3.48Å; E105-K109 WeakPolarHBondContact O-CG 3.38Å; E105-K109 PolarHBondContact O-N 3.08Å; E105-K109 VanDerWaalsContact O-N 3.12Å; E105-K109 IonicContact OE2-NZ 3.57Å
106T98.8Very high98.5Very high59 Ų5949.5 Ų49.536%0.36225%0.251SS..Hα-helixtrans-62.6-49.8178.3-57.60000110M90 S102 F103 A104 L108 K109 T110M90-T106 HydrophobicContact CE-CG2 4.18Å; M90-T106 HydrophobicContact SD-CG2 4.17Å; S102-T106 WeakPolarHBondContact O-CB 3.36Å; S102-T106 PolarHBondContact O-N 3.27Å; S102-T106 PolarHBondContact O-OG1 3.15Å; F103-T106 PolarHBondContact O-N 3.07Å; A104-T106 PolarHBondContact O-N 3.28Å; T106-L108 PolarHBondContact O-N 3.02Å; T106-K109 PolarHBondContact O-N 2.87Å; T106-T110 HydrophobicContact CG2-CG2 4.35Å; T106-T110 WeakPolarHBondContact O-CG2 3.31Å; T106-T110 PolarHBondContact O-N 2.82Å; T106-T110 PolarHBondContact O-OG1 3.32Å
107F98.8Very high98.6Very high0 Ų049.2 Ų49.20%025%0.249CC..Hα-helixtrans-55.2-51177.5179.4-83.7000111.9T36 V38 I62 M90 F103 A104 K109 T110 E111 L114 L151 R154T36-F107 HydrophobicContact CG2-CE2 4.31Å; T36-F107 HydrophobicContact CG2-CZ 4.37Å; V38-F107 HydrophobicContact CG2-CD2 3.87Å; V38-F107 HydrophobicContact CG2-CE2 3.37Å; V38-F107 HydrophobicContact CG2-CZ 4.16Å; I62-F107 HydrophobicContact CD1-CD2 3.81Å; I62-F107 HydrophobicContact CD1-CE2 3.4Å; M90-F107 HydrophobicContact CE-CB 4.3Å; M90-F107 HydrophobicContact CE-CD2 4.45Å; M90-F107 HydrophobicContact SD-CB 3.96Å; F103-F107 HydrophobicContact CE1-CB 4.34Å; F103-F107 WeakPolarHBondContact O-CB 3.42Å; F103-F107 PolarHBondContact O-N 3.08Å; A104-F107 PolarHBondContact O-N 3.41Å; F107-K109 PolarHBondContact O-N 2.88Å; F107-T110 PolarHBondContact O-N 2.87Å; F107-E111 HydrophobicContact CD1-CB 4.37Å; F107-E111 HydrophobicContact CD2-CB 4.15Å; F107-E111 HydrophobicContact CD2-CG 3.71Å; F107-E111 HydrophobicContact CE1-CB 4.07Å; F107-E111 HydrophobicContact CE2-CB 3.86Å; F107-E111 HydrophobicContact CE2-CG 3.65Å; F107-E111 HydrophobicContact CG-CB 4.38Å; F107-E111 HydrophobicContact CG-CG 4.26Å; F107-E111 HydrophobicContact CZ-CB 3.78Å; F107-E111 HydrophobicContact CZ-CG 4.12Å; F107-E111 VanDerWaalsContact O-CB 3.31Å; F107-E111 WeakPolarHBondContact O-CB 3.11Å; F107-E111 PolarHBondContact O-N 2.7Å; F107-L114 HydrophobicContact CE1-CB 3.89Å; F107-L114 HydrophobicContact CE1-CD2 4.06Å; F107-L114 HydrophobicContact CE1-CG 4.4Å; F107-L114 HydrophobicContact CE2-CD1 4.31Å; F107-L114 HydrophobicContact CZ-CB 3.68Å; F107-L114 HydrophobicContact CZ-CD1 3.8Å; F107-L114 HydrophobicContact CZ-CD2 4.07Å; F107-L114 HydrophobicContact CZ-CG 4.04Å; F107-L151 HydrophobicContact CB-CD2 4.41Å; F107-L151 HydrophobicContact CD1-CD2 3.54Å; F107-L151 HydrophobicContact CE1-CD2 4.17Å; F107-L151 HydrophobicContact CG-CD2 4.15Å; F107-R154 HydrophobicContact CE1-CG 4.33Å
108L98.8Very high98.6Very high63 Ų6348.6 Ų48.633%0.3325%0.246SC..Hα-helixtrans-64.9-29.8-177-70.3170.5000112.6A104 T106 L151 R154A104-L108 WeakPolarHBondContact O-CB 3.34Å; A104-L108 WeakPolarHBondContact O-CG 3.45Å; A104-L108 PolarHBondContact O-N 2.6Å; T106-L108 PolarHBondContact O-N 3.02Å; L108-L151 HydrophobicContact CD2-CD2 4.11Å; L108-L151 HydrophobicContact CG-CD2 4.04Å; L108-R154 HydrophobicContact CD2-CB 3.78Å; L108-R154 HydrophobicContact CD2-CG 4.37Å; L108-R154 PolarHBondContact O-NH2 3Å
109K98.4Very high98.6Very high162 Ų16240.7 Ų40.770%0.70421%0.212SC*.Hα-helixtrans-75.6-40.1175-73.3168.4-175.4167.10112.8E105 T106 F107E105-K109 WeakPolarHBondContact O-CB 3.25Å; E105-K109 WeakPolarHBondContact O-CD 3.48Å; E105-K109 WeakPolarHBondContact O-CG 3.38Å; E105-K109 PolarHBondContact O-N 3.08Å; E105-K109 VanDerWaalsContact O-N 3.12Å; E105-K109 IonicContact OE2-NZ 3.57Å; T106-K109 PolarHBondContact O-N 2.87Å; F107-K109 PolarHBondContact O-N 2.88Å
110T97.9Very high98.6Very high82 Ų8240.3 Ų40.350%0.50321%0.208SC..Hα-helixtrans-99.6-29.8-169.161.40000114.2T106 F107T106-T110 HydrophobicContact CG2-CG2 4.35Å; T106-T110 WeakPolarHBondContact O-CG2 3.31Å; T106-T110 PolarHBondContact O-N 2.82Å; T106-T110 PolarHBondContact O-OG1 3.32Å; F107-T110 PolarHBondContact O-N 2.87Å
111E98.1Very high98.4Very high9 Ų941 Ų414%0.04221%0.213CC..  trans-99.7134-179.9-59.4-58.6146.300108.6R60 I62 F107 R154R60-E111 WeakPolarHBondContact CD-OE2 3.03Å; R60-E111 IonicContact CZ-OE1 2.81Å; R60-E111 IonicContact CZ-OE2 3.49Å; R60-E111 IonicContact NE-OE1 2.68Å; R60-E111 PolarHBondContact NE-OE1 2.68Å; R60-E111 IonicContact NE-OE2 3.96Å; R60-E111 PolarHBondContact NE-OE2 2.85Å; R60-E111 IonicContact NH2-OE1 3.68Å; R60-E111 PolarHBondContact NH2-OE1 2.89Å; R60-E111 IonicContact NH2-OE2 3.87Å; I62-E111 HydrophobicContact CD1-CG 3.65Å; F107-E111 HydrophobicContact CD1-CB 4.37Å; F107-E111 HydrophobicContact CD2-CB 4.15Å; F107-E111 HydrophobicContact CD2-CG 3.71Å; F107-E111 HydrophobicContact CE1-CB 4.07Å; F107-E111 HydrophobicContact CE2-CB 3.86Å; F107-E111 HydrophobicContact CE2-CG 3.65Å; F107-E111 HydrophobicContact CG-CB 4.38Å; F107-E111 HydrophobicContact CG-CG 4.26Å; F107-E111 HydrophobicContact CZ-CB 3.78Å; F107-E111 HydrophobicContact CZ-CG 4.12Å; F107-E111 VanDerWaalsContact O-CB 3.31Å; F107-E111 WeakPolarHBondContact O-CB 3.11Å; F107-E111 PolarHBondContact O-N 2.7Å; E111-R154 PolarHBondContact O-NH1 3.3Å
112P96.9Very high98Very high105 Ų10538.1 Ų38.168%0.68221%0.211SC*.SBendtrans-85.9-13.7176.932-34.3000112.6R154P112-R154 PolarHBondContact O-NH1 2.76Å
113R98.1Very high97.6Very high75 Ų7537.2 Ų37.228%0.28320%0.203SC..  trans-147.6153.6-172.164.2-179-53.8113.95.9113.7G34 T36 D115 C158G34-R113 WeakPolarHBondContact O-CD 3.5Å; G34-R113 VanDerWaalsContact O-CZ 3.3Å; G34-R113 PolarHBondContact O-NE 2.92Å; T36-R113 VanDerWaalsContact CB-O 3.25Å; T36-R113 WeakPolarHBondContact CB-O 3.45Å; T36-R113 WeakPolarHBondContact CG2-O 3.3Å; T36-R113 VanDerWaalsContact OG1-CG 3.25Å; T36-R113 WeakPolarHBondContact OG1-CG 3.44Å; R113-D115 IonicContact CZ-OD1 2.88Å; R113-D115 IonicContact CZ-OD2 3.55Å; R113-D115 IonicContact NE-OD1 2.64Å; R113-D115 IonicContact NE-OD2 2.7Å; R113-D115 PolarHBondContact NE-OD2 3.27Å; R113-D115 VanDerWaalsContact NH2-CG 3.32Å; R113-D115 IonicContact NH2-OD1 3.07Å; R113-D115 PolarHBondContact NH2-OD1 3.36Å; R113-D115 IonicContact NH2-OD2 3.56Å; R113-D115 PolarHBondContact NH2-OD2 2.8Å; R113-D115 VanDerWaalsContact NH2-OD2 3.16Å; R113-C158 WeakPolarHBondContact CA-SG 3.32Å
114L98.8Very high97Very high0 Ų039.4 Ų39.40%021%0.214CC..  trans-143114.4170.8-177.854.6000109.1V38 F107 I116 L151 R154 L155 C158 S161V38-L114 HydrophobicContact CB-CD1 4.23Å; V38-L114 HydrophobicContact CG2-CD1 3.75Å; F107-L114 HydrophobicContact CE1-CB 3.89Å; F107-L114 HydrophobicContact CE1-CD2 4.06Å; F107-L114 HydrophobicContact CE1-CG 4.4Å; F107-L114 HydrophobicContact CE2-CD1 4.31Å; F107-L114 HydrophobicContact CZ-CB 3.68Å; F107-L114 HydrophobicContact CZ-CD1 3.8Å; F107-L114 HydrophobicContact CZ-CD2 4.07Å; F107-L114 HydrophobicContact CZ-CG 4.04Å; L114-I116 WeakPolarHBondContact CD1-O 3.3Å; L114-L151 HydrophobicContact CD2-CB 3.82Å; L114-L151 HydrophobicContact CD2-CD1 3.92Å; L114-L151 HydrophobicContact CD2-CG 4.36Å; L114-R154 HydrophobicContact CB-CB 4.45Å; L114-R154 HydrophobicContact CB-CG 3.76Å; L114-L155 HydrophobicContact CB-CD2 4.43Å; L114-L155 HydrophobicContact CD2-CD1 4.34Å; L114-L155 HydrophobicContact CD2-CD2 3.96Å; L114-L155 HydrophobicContact CD2-CG 3.81Å; L114-L155 HydrophobicContact CG-CD2 3.69Å; L114-L155 HydrophobicContact CG-CG 4.03Å; L114-C158 VanDerWaalsContact O-CB 3.28Å; L114-C158 WeakPolarHBondContact O-CB 3.37Å; L114-S161 PolarHBondContact O-OG 2.85Å
115D98.8Very high96.2Very high4 Ų439.5 Ų39.52%0.02122%0.215CC..  trans-105.1-34.2-176.6-61.2-95.3000111.7K35 T36 R113 S161 R162K35-D115 VanDerWaalsContact CA-OD2 3.28Å; K35-D115 WeakPolarHBondContact CA-OD2 3.48Å; K35-D115 HydrophobicContact CB-CB 4.15Å; K35-D115 HydrophobicContact CD-CB 3.86Å; K35-D115 WeakPolarHBondContact CD-OD1 3.26Å; K35-D115 IonicContact NZ-OD1 3.73Å; K35-D115 PolarHBondContact NZ-OD1 3.3Å; T36-D115 PolarHBondContact N-OD2 2.78Å; T36-D115 PolarHBondContact O-N 3.43Å; R113-D115 IonicContact CZ-OD1 2.88Å; R113-D115 IonicContact CZ-OD2 3.55Å; R113-D115 IonicContact NE-OD1 2.64Å; R113-D115 IonicContact NE-OD2 2.7Å; R113-D115 PolarHBondContact NE-OD2 3.27Å; R113-D115 VanDerWaalsContact NH2-CG 3.32Å; R113-D115 IonicContact NH2-OD1 3.07Å; R113-D115 PolarHBondContact NH2-OD1 3.36Å; R113-D115 IonicContact NH2-OD2 3.56Å; R113-D115 PolarHBondContact NH2-OD2 2.8Å; R113-D115 VanDerWaalsContact NH2-OD2 3.16Å; D115-S161 CarbonylContact O-C 3.59Å; D115-S161 WeakPolarHBondContact O-CA 3.5Å; D115-S161 WeakPolarHBondContact O-CB 3.43Å; D115-R162 PolarHBondContact O-N 2.72Å
116I98.9Very high95.5Very high8 Ų838.3 Ų38.34%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-137125.1-179.3-51.4177.2000109.5L32 T36 V37 V38 L114 I118 R162 I164 A271L32-I116 HydrophobicContact CD1-CD1 4.36Å; L32-I116 HydrophobicContact CD2-CD1 4.33Å; T36-I116 PolarHBondContact O-N 2.83Å; V37-I116 VanDerWaalsContact CA-O 3.3Å; V37-I116 WeakPolarHBondContact CA-O 3.38Å; V37-I116 HydrophobicContact CB-CB 4.27Å; V37-I116 HydrophobicContact CG1-CB 3.77Å; V37-I116 HydrophobicContact CG1-CG2 4.01Å; V37-I116 WeakPolarHBondContact CG1-O 3.33Å; V37-I116 HydrophobicContact CG2-CB 3.9Å; V37-I116 HydrophobicContact CG2-CD1 4.06Å; V37-I116 HydrophobicContact CG2-CG1 4.19Å; V38-I116 PolarHBondContact N-O 2.95Å; L114-I116 WeakPolarHBondContact CD1-O 3.3Å; I116-I118 HydrophobicContact CG2-CD1 4.15Å; I116-I118 HydrophobicContact CG2-CG1 3.75Å; I116-R162 CarbonylContact C-O 3.57Å; I116-R162 WeakPolarHBondContact CA-O 3.42Å; I116-I164 HydrophobicContact CG2-CD1 3.56Å; I116-A271 HydrophobicContact CD1-CB 4.35Å; I116-A271 HydrophobicContact CG2-CB 4.25Å
117L98.9Very high95Very high0 Ų036.9 Ų36.90%021%0.214CC..EExtended strand (participates in β ladder)trans-110.8119.5169.9176.361.6000109.3V38 L147 T148 L151 L155 R162 V163 I164V38-L117 HydrophobicContact CB-CD1 3.86Å; V38-L117 HydrophobicContact CG1-CD1 3.81Å; L117-L147 HydrophobicContact CD1-CD2 4.3Å; L117-T148 HydrophobicContact CD2-CG2 4.09Å; L117-L151 HydrophobicContact CD1-CD1 4.49Å; L117-L155 HydrophobicContact CB-CD1 4.43Å; L117-L155 HydrophobicContact CB-CD2 4.45Å; L117-L155 HydrophobicContact CD2-CD1 4.38Å; L117-R162 PolarHBondContact N-O 3.21Å; L117-V163 HydrophobicContact CB-CG2 4.48Å; L117-V163 HydrophobicContact CD2-CG1 4.47Å; L117-V163 CarbonylContact O-C 3.58Å; L117-V163 WeakPolarHBondContact O-CA 3.29Å; L117-I164 PolarHBondContact O-N 3.11Å
118I98.9Very high94.6Very high0 Ų039 Ų390%023%0.228CC..EExtended strand (participates in β ladder)trans-111.7101.7178.5-50-173.8000109.4V37 V38 V39 T40 T50 L54 I116 N120 I164 T267V37-I118 HydrophobicContact CG1-CD1 4.26Å; V37-I118 HydrophobicContact CG1-CG1 4.36Å; V38-I118 PolarHBondContact O-N 2.82Å; V39-I118 HydrophobicContact CB-CB 4.48Å; V39-I118 HydrophobicContact CG1-CB 4.18Å; V39-I118 HydrophobicContact CG1-CG2 4.29Å; V39-I118 HydrophobicContact CG2-CB 4.32Å; V39-I118 HydrophobicContact CG2-CD1 4.08Å; V39-I118 HydrophobicContact CG2-CG1 4.41Å; T40-I118 PolarHBondContact N-O 2.83Å; T40-I118 PolarHBondContact OG1-O 2.68Å; T50-I118 HydrophobicContact CG2-CD1 3.69Å; L54-I118 HydrophobicContact CD1-CD1 3.75Å; I116-I118 HydrophobicContact CG2-CD1 4.15Å; I116-I118 HydrophobicContact CG2-CG1 3.75Å; I118-N120 HydrophobicContact CG2-CB 3.86Å; I118-N120 PolarHBondContact O-N 3.5Å; I118-I164 CarbonylContact C-O 3.51Å; I118-I164 WeakPolarHBondContact CA-O 3.33Å; I118-I164 HydrophobicContact CG1-CB 4.49Å; I118-I164 HydrophobicContact CG1-CD1 4.44Å; I118-I164 HydrophobicContact CG2-CB 4.49Å; I118-T267 HydrophobicContact CD1-CG2 4.09Å; I118-T267 HydrophobicContact CG2-CG2 3.66Å
119N98.9Very high94.4Very high0 Ų036.5 Ų36.50%022%0.216CC..EExtended strand (participates in β ladder)trans-76.575.1171.3-64.5-32.6000108.9H144 T148 I164 T165 V166N119-H144 HydrophobicContact CB-CB 4.12Å; N119-H144 VanDerWaalsContact CB-CD2 3.47Å; N119-H144 WeakPolarHBondContact CB-CD2 3.23Å; N119-H144 PolarHBondContact OD1-CD2 3.46Å; N119-T148 PolarHBondContact ND2-OG1 3.34Å; N119-I164 PolarHBondContact N-O 3.19Å; N119-T165 HydrophobicContact CB-CG2 4.04Å; N119-T165 PolarHBondContact ND2-OG1 2.73Å; N119-V166 PolarHBondContact O-N 2.73Å
120N98.3Very high94.1Very high17 Ų1735.5 Ų35.59%0.09121%0.214CC..  trans-95.9-33.6-174.6160.788000113.5V39 T40 G41 G47 I118 V166V39-N120 HydrophobicContact CG1-CB 4.21Å; T40-N120 WeakPolarHBondContact O-CB 3.18Å; T40-N120 PolarHBondContact O-ND2 3.23Å; T40-N120 PolarHBondContact OG1-N 3.29Å; G41-N120 PolarHBondContact O-ND2 2.7Å; G47-N120 VanDerWaalsContact CA-ND2 3.29Å; G47-N120 WeakPolarHBondContact CA-ND2 3.45Å; I118-N120 HydrophobicContact CG2-CB 3.86Å; I118-N120 PolarHBondContact O-N 3.5Å; N120-V166 HydrophobicContact CB-CG2 4.04Å
121A94.3Very high93.8Very high14 Ų1434.4 Ų34.412%0.11620%0.203CC..  trans-53.6145-175.500000111.7T40 L94 H144T40-A121 PolarHBondContact O-N 3.4Å; T40-A121 WeakPolarHBondContact OG1-CB 3.43Å; T40-A121 PolarHBondContact OG1-N 2.93Å; L94-A121 HydrophobicContact CD1-CB 3.46Å; L94-A121 VanDerWaalsContact CD1-CB 3.46Å; A121-H144 PolarHBondContact O-CE1 2.88Å; A121-H144 VanDerWaalsContact O-CE1 3.24Å
122G92Very high93.5Very high27 Ų2734.7 Ų34.728%0.27821%0.208SC..  trans-163.8146.3177.600000112.4N140G122-N140 WeakPolarHBondContact CA-OD1 3.36Å
123V89.8Confident93.3Very high44 Ų4430 Ų3027%0.26718%0.177SC..  trans-131.5145.9178.6-61.20000110.5L135 V139 N140 Y200V123-L135 HydrophobicContact CG2-CD2 4.34Å; V123-L135 HydrophobicContact CG2-CG 3.91Å; V123-V139 HydrophobicContact CG1-CG1 4.03Å; V123-V139 HydrophobicContact CG2-CB 3.66Å; V123-V139 HydrophobicContact CG2-CG1 3.78Å; V123-V139 HydrophobicContact CG2-CG2 4.05Å; V123-N140 PolarHBondContact N-OD1 3.43Å; V123-N140 PolarHBondContact O-ND2 3.13Å; V123-Y200 WeakPolarHBondContact O-CD2 3.5Å
124L86.1Confident93.1Very high49 Ų4927.9 Ų27.926%0.25717%0.171SC..  trans-130.1123.2167.5-178.6162.8000106L197 Y200 L237L124-L197 HydrophobicContact CD1-CD1 3.99Å; L124-Y200 HydrophobicContact CB-CD2 3.88Å; L124-Y200 HydrophobicContact CB-CE2 4.4Å; L124-Y200 HydrophobicContact CB-CG 4.16Å; L124-Y200 HydrophobicContact CD1-CD1 3.97Å; L124-Y200 HydrophobicContact CD1-CD2 4.35Å; L124-Y200 HydrophobicContact CD1-CG 3.87Å; L124-Y200 HydrophobicContact CG-CD2 4.39Å; L124-Y200 HydrophobicContact CG-CG 4.15Å; L124-L237 HydrophobicContact CB-CD2 3.99Å
125G81.1Confident92.8Very high4 Ų429.6 Ų29.64%0.04118%0.18CC..SBendtrans159.6169.7178.900000111.7
126P84Confident92.5Very high82 Ų8229.4 Ų29.453%0.53218%0.179SC..SBendtrans-72.3155.9176.633.1-36.1000111Q191P126-Q191 HydrophobicContact CB-CB 3.97Å
127G88.5Confident92.4Very high30 Ų3029.6 Ų29.631%0.30918%0.18SC..  trans131-174.6170.100000112.7L135G127-L135 VanDerWaalsContact O-CB 3.28Å; G127-L135 WeakPolarHBondContact O-CB 3.33Å; G127-L135 PolarHBondContact O-N 3.32Å
128C91.7Very high92.3Very high43 Ų4329.7 Ų29.729%0.29118%0.181SC..BIsolated β-bridgetrans-135.1160.8178.8-74.30000112.2F133 V188C128-F133 CarbonylContact C-O 3.58Å; C128-F133 WeakPolarHBondContact CA-O 3.37Å; C128-F133 WeakPolarHBondContact CB-O 3.42Å; C128-F133 PolarHBondContact SG-O 3.26Å; C128-F133 VanDerWaalsContact SG-O 3.39Å; C128-V188 WeakPolarHBondContact SG-CG2 3.33Å
129T93.5Very high92.2Very high12 Ų1230.2 Ų30.27%0.07418%0.184CC..  trans-76.1171.8168.169.50000111.4A95 E131 G132 F133A95-T129 HydrophobicContact CB-CG2 4.2Å; A95-T129 VanDerWaalsContact O-CB 3.25Å; A95-T129 WeakPolarHBondContact O-CB 3.26Å; T129-E131 WeakPolarHBondContact CB-OE2 3.2Å; T129-E131 PolarHBondContact O-N 2.96Å; T129-E131 PolarHBondContact OG1-N 3.39Å; T129-E131 PolarHBondContact OG1-OE2 3.3Å; T129-E131 VanDerWaalsContact OG1-OE2 3.1Å; T129-G132 PolarHBondContact O-N 3.31Å; T129-F133 HydrophobicContact CG2-CB 4.33Å; T129-F133 PolarHBondContact N-O 3.49Å; T129-F133 WeakPolarHBondContact OG1-CB 3.32Å; T129-F133 WeakPolarHBondContact OG1-CD2 3.46Å; T129-F133 PolarHBondContact OG1-N 2.84Å
130E91.6Very high92.2Very high141 Ų14130.2 Ų30.266%0.65918%0.184SC*.THydrogen-bonded Turntrans-57.4-31.8175.2-69.3-174.117300112.4A95 S96 G132A95-E130 PolarHBondContact O-N 3.25Å; S96-E130 VanDerWaalsContact CB-CD 3.45Å; S96-E130 WeakPolarHBondContact CB-OE2 3.41Å; S96-E130 PolarHBondContact OG-OE2 2.88Å; E130-G132 VanDerWaalsContact C-N 3.29Å; E130-G132 PolarHBondContact O-N 3.33Å
131E92.4Very high92.2Very high59 Ų5929.4 Ų29.428%0.27618%0.18SC..THydrogen-bonded Turntrans-82.6-2178.5-57.475.5-163.800113.7L97 T129 F133 P183L97-E131 WeakPolarHBondContact CB-OE1 3.4Å; L97-E131 HydrophobicContact CD1-CG 4.02Å; L97-E131 HydrophobicContact CG-CG 4.03Å; L97-E131 WeakPolarHBondContact CG-OE1 3.45Å; L97-E131 PolarHBondContact N-OE1 3.07Å; T129-E131 WeakPolarHBondContact CB-OE2 3.2Å; T129-E131 PolarHBondContact O-N 2.96Å; T129-E131 PolarHBondContact OG1-N 3.39Å; T129-E131 PolarHBondContact OG1-OE2 3.3Å; T129-E131 VanDerWaalsContact OG1-OE2 3.1Å; E131-F133 HydrophobicContact CB-CD2 3.69Å; E131-F133 HydrophobicContact CB-CE2 3.4Å; E131-F133 HydrophobicContact CB-CZ 4.17Å; E131-F133 HydrophobicContact CG-CE2 4.06Å; E131-P183 VanDerWaalsContact O-CB 3.29Å; E131-P183 WeakPolarHBondContact O-CB 3.5Å
132G92.2Very high92.4Very high15 Ų1528.8 Ų28.816%0.15517%0.174CC..SBendtrans84.616179.400000114.9T129 E130 Q184T129-G132 PolarHBondContact O-N 3.31Å; E130-G132 VanDerWaalsContact C-N 3.29Å; E130-G132 PolarHBondContact O-N 3.33Å; G132-Q184 PolarHBondContact O-N 3.48Å
133F93.2Very high92.7Very high6 Ų627.5 Ų27.53%0.02616%0.161CC..  trans-77.9153.4171-56.7-59.6000110.9L97 C128 T129 E131 L135 F137 L142 P183 L312L97-F133 HydrophobicContact CD1-CE2 4.32Å; C128-F133 CarbonylContact C-O 3.58Å; C128-F133 WeakPolarHBondContact CA-O 3.37Å; C128-F133 WeakPolarHBondContact CB-O 3.42Å; C128-F133 PolarHBondContact SG-O 3.26Å; C128-F133 VanDerWaalsContact SG-O 3.39Å; T129-F133 HydrophobicContact CG2-CB 4.33Å; T129-F133 PolarHBondContact N-O 3.49Å; T129-F133 WeakPolarHBondContact OG1-CB 3.32Å; T129-F133 WeakPolarHBondContact OG1-CD2 3.46Å; T129-F133 PolarHBondContact OG1-N 2.84Å; E131-F133 HydrophobicContact CB-CD2 3.69Å; E131-F133 HydrophobicContact CB-CE2 3.4Å; E131-F133 HydrophobicContact CB-CZ 4.17Å; E131-F133 HydrophobicContact CG-CE2 4.06Å; F133-L135 PolarHBondContact O-N 2.91Å; F133-F137 HydrophobicContact CB-CD1 4.46Å; F133-L142 HydrophobicContact CB-CD1 4.41Å; F133-L142 HydrophobicContact CD1-CD1 3.93Å; F133-L142 HydrophobicContact CD2-CD1 3.53Å; F133-L142 HydrophobicContact CE1-CD1 4.04Å; F133-L142 HydrophobicContact CE2-CD1 3.66Å; F133-L142 HydrophobicContact CG-CD1 3.68Å; F133-L142 HydrophobicContact CZ-CD1 3.93Å; F133-P183 HydrophobicContact CD1-CB 4.09Å; F133-P183 HydrophobicContact CD1-CG 4.25Å; F133-P183 HydrophobicContact CE1-CB 3.83Å; F133-P183 HydrophobicContact CE1-CG 3.51Å; F133-P183 HydrophobicContact CZ-CB 4.47Å; F133-P183 HydrophobicContact CZ-CG 4.03Å; F133-L312 HydrophobicContact CE1-CB 4.18Å; F133-L312 HydrophobicContact CE1-CD1 4.14Å; F133-L312 HydrophobicContact CE1-CD2 3.97Å; F133-L312 HydrophobicContact CE1-CG 4.3Å; F133-L312 HydrophobicContact CZ-CB 3.98Å; F133-L312 HydrophobicContact CZ-CD2 4.37Å
134D93.4Very high93.1Very high31 Ų3125.4 Ų25.417%0.16615%0.149CC..BIsolated β-bridgetrans-50.4133.4164.1174.3-90.2000110.3A136 F137 G138 Q191 A199D134-A136 VanDerWaalsContact C-N 3.32Å; D134-A136 PolarHBondContact O-N 2.9Å; D134-A136 WeakPolarHBondContact OD1-CB 3.26Å; D134-A136 PolarHBondContact OD1-N 3.31Å; D134-F137 HydrophobicContact CB-CB 4.21Å; D134-F137 PolarHBondContact O-N 3.37Å; D134-F137 PolarHBondContact OD1-N 3.43Å; D134-F137 VanDerWaalsContact OD1-N 3.15Å; D134-G138 PolarHBondContact O-N 2.89Å; D134-Q191 PolarHBondContact OD2-NE2 3.15Å; D134-A199 WeakPolarHBondContact OD1-CB 3.07Å
135L93.1Very high93.7Very high35 Ų3523.1 Ų23.118%0.18314%0.137CC..Hα-helixtrans-57.7-41.7-172-177.667.3000112.9A95 V123 G127 F133 V139A95-L135 HydrophobicContact CB-CD1 4.31Å; V123-L135 HydrophobicContact CG2-CD2 4.34Å; V123-L135 HydrophobicContact CG2-CG 3.91Å; G127-L135 VanDerWaalsContact O-CB 3.28Å; G127-L135 WeakPolarHBondContact O-CB 3.33Å; G127-L135 PolarHBondContact O-N 3.32Å; F133-L135 PolarHBondContact O-N 2.91Å; L135-V139 HydrophobicContact CD1-CG2 3.84Å; L135-V139 HydrophobicContact CG-CG2 4.46Å; L135-V139 VanDerWaalsContact O-CB 3.28Å; L135-V139 WeakPolarHBondContact O-CB 3.42Å; L135-V139 WeakPolarHBondContact O-CG2 3.33Å; L135-V139 PolarHBondContact O-N 2.87Å
136A92.4Very high94.6Very high1 Ų123 Ų231%0.00814%0.135CC..Hα-helixtrans-71-42.3-178.800000110.9D134 N140 A199 S203D134-A136 VanDerWaalsContact C-N 3.32Å; D134-A136 PolarHBondContact O-N 2.9Å; D134-A136 WeakPolarHBondContact OD1-CB 3.26Å; D134-A136 PolarHBondContact OD1-N 3.31Å; A136-N140 WeakPolarHBondContact O-CB 3.35Å; A136-N140 PolarHBondContact O-N 2.82Å; A136-N140 PolarHBondContact O-ND2 3.06Å; A136-A199 HydrophobicContact CB-CB 4.33Å; A136-S203 WeakPolarHBondContact O-CB 3.32Å
137F96.1Very high95.3Very high11 Ų1119 Ų195%0.04811%0.109CC..Hα-helixtrans-63.3-47.7175.2177.5-120.7000112F133 D134 H141 L142 L181 L312F133-F137 HydrophobicContact CB-CD1 4.46Å; D134-F137 HydrophobicContact CB-CB 4.21Å; D134-F137 PolarHBondContact O-N 3.37Å; D134-F137 PolarHBondContact OD1-N 3.43Å; D134-F137 VanDerWaalsContact OD1-N 3.15Å; F137-H141 HydrophobicContact CD2-CB 4.29Å; F137-H141 HydrophobicContact CE2-CB 4.43Å; F137-H141 AromaticContact CE2-CD2 3.44Å; F137-H141 VanDerWaalsContact CE2-CD2 3.44Å; F137-H141 WeakPolarHBondContact CE2-CD2 3.41Å; F137-H141 WeakPolarHBondContact O-CB 3.23Å; F137-H141 PolarHBondContact O-N 3.39Å; F137-H141 VanDerWaalsContact O-N 3.16Å; F137-L142 HydrophobicContact CD1-CD1 3.9Å; F137-L142 HydrophobicContact CD1-CG 4.16Å; F137-L142 HydrophobicContact CE1-CD1 3.45Å; F137-L142 VanDerWaalsContact CE1-CD1 3.45Å; F137-L142 HydrophobicContact CE1-CD2 4.02Å; F137-L142 HydrophobicContact CE1-CG 3.67Å; F137-L142 HydrophobicContact CE2-CD2 4.41Å; F137-L142 HydrophobicContact CE2-CG 4.33Å; F137-L142 HydrophobicContact CZ-CD1 4.03Å; F137-L142 HydrophobicContact CZ-CD2 3.71Å; F137-L142 HydrophobicContact CZ-CG 3.75Å; F137-L142 PolarHBondContact O-N 3.08Å; F137-L142 VanDerWaalsContact O-N 3.08Å; F137-L181 HydrophobicContact CD1-CD2 4.02Å; F137-L181 HydrophobicContact CD2-CD2 3.91Å; F137-L181 HydrophobicContact CE1-CB 3.88Å; F137-L181 HydrophobicContact CE1-CD1 4.4Å; F137-L181 HydrophobicContact CE1-CD2 3.9Å; F137-L181 HydrophobicContact CE1-CG 4.26Å; F137-L181 HydrophobicContact CE2-CD1 3.97Å; F137-L181 HydrophobicContact CE2-CD2 3.81Å; F137-L181 HydrophobicContact CE2-CG 4.4Å; F137-L181 HydrophobicContact CG-CD2 4.02Å; F137-L181 HydrophobicContact CZ-CB 4.04Å; F137-L181 HydrophobicContact CZ-CD1 3.72Å; F137-L181 HydrophobicContact CZ-CD2 3.82Å; F137-L181 HydrophobicContact CZ-CG 4.06Å; F137-L312 HydrophobicContact CE1-CD1 3.97Å; F137-L312 HydrophobicContact CZ-CD1 4.24Å
138G96.9Very high95.8Very high2 Ų217.6 Ų17.62%0.02110%0.095CC..Iπ-helixtrans-63-50.8-179.300000112.8D134 L142 G143D134-G138 PolarHBondContact O-N 2.89Å; G138-L142 PolarHBondContact O-N 3.47Å; G138-G143 PolarHBondContact O-N 3.33Å
139V97.1Very high96.1Very high11 Ų1117.1 Ų17.17%0.0679%0.089CC..Iπ-helixtrans-75.4-48.5-177.7170.80000112.6L94 A95 V123 L135 H144L94-V139 HydrophobicContact CB-CB 4.45Å; L94-V139 HydrophobicContact CB-CG1 3.99Å; L94-V139 HydrophobicContact CD1-CG1 4.48Å; A95-V139 HydrophobicContact CB-CG2 3.69Å; V123-V139 HydrophobicContact CG1-CG1 4.03Å; V123-V139 HydrophobicContact CG2-CB 3.66Å; V123-V139 HydrophobicContact CG2-CG1 3.78Å; V123-V139 HydrophobicContact CG2-CG2 4.05Å; L135-V139 HydrophobicContact CD1-CG2 3.84Å; L135-V139 HydrophobicContact CG-CG2 4.46Å; L135-V139 VanDerWaalsContact O-CB 3.28Å; L135-V139 WeakPolarHBondContact O-CB 3.42Å; L135-V139 WeakPolarHBondContact O-CG2 3.33Å; L135-V139 PolarHBondContact O-N 2.87Å; V139-H144 PolarHBondContact O-ND1 3.41Å
140N97.7Very high96.4Very high0 Ų019 Ų190%010%0.098CC..Iπ-helixtrans-75.6-31.4-169.9-55.4-17000111.6G122 V123 A136 H144 S203 N207G122-N140 WeakPolarHBondContact CA-OD1 3.36Å; V123-N140 PolarHBondContact N-OD1 3.43Å; V123-N140 PolarHBondContact O-ND2 3.13Å; A136-N140 WeakPolarHBondContact O-CB 3.35Å; A136-N140 PolarHBondContact O-N 2.82Å; A136-N140 PolarHBondContact O-ND2 3.06Å; N140-H144 PolarHBondContact O-ND1 2.95Å; N140-S203 PolarHBondContact ND2-OG 3.36Å; N140-N207 PolarHBondContact O-ND2 3.48Å; N140-N207 PolarHBondContact O-OD1 3.12Å
141H98.6Very high96.7Very high1 Ų112.3 Ų12.31%0.0057%0.067CC..Iπ-helixtrans-115.6-67.1-176.1177.471.5000113.1F137 G143 H144 F145 C206 S309F137-H141 HydrophobicContact CD2-CB 4.29Å; F137-H141 HydrophobicContact CE2-CB 4.43Å; F137-H141 AromaticContact CE2-CD2 3.44Å; F137-H141 VanDerWaalsContact CE2-CD2 3.44Å; F137-H141 WeakPolarHBondContact CE2-CD2 3.41Å; F137-H141 WeakPolarHBondContact O-CB 3.23Å; F137-H141 PolarHBondContact O-N 3.39Å; F137-H141 VanDerWaalsContact O-N 3.16Å; H141-G143 PolarHBondContact O-N 3.41Å; H141-H144 PolarHBondContact O-N 2.96Å; H141-H144 VanDerWaalsContact O-N 3.14Å; H141-F145 VanDerWaalsContact O-CB 3.32Å; H141-F145 WeakPolarHBondContact O-CB 3.42Å; H141-F145 PolarHBondContact O-N 3.33Å; H141-C206 HydrophobicContact CB-CB 3.89Å; H141-C206 VanDerWaalsContact CG-CB 3.5Å; H141-C206 WeakPolarHBondContact ND1-CB 3.38Å; H141-S309 PolarHBondContact NE2-OG 2.94Å
142L98.6Very high97Very high0 Ų010.4 Ų10.40%06%0.059CC..Iπ-helixtrans-61.1-41.8-169.9-68.1-179.1000113.7F133 F137 G138 H144 F145 L146 L312 T313F133-L142 HydrophobicContact CB-CD1 4.41Å; F133-L142 HydrophobicContact CD1-CD1 3.93Å; F133-L142 HydrophobicContact CD2-CD1 3.53Å; F133-L142 HydrophobicContact CE1-CD1 4.04Å; F133-L142 HydrophobicContact CE2-CD1 3.66Å; F133-L142 HydrophobicContact CG-CD1 3.68Å; F133-L142 HydrophobicContact CZ-CD1 3.93Å; F137-L142 HydrophobicContact CD1-CD1 3.9Å; F137-L142 HydrophobicContact CD1-CG 4.16Å; F137-L142 HydrophobicContact CE1-CD1 3.45Å; F137-L142 VanDerWaalsContact CE1-CD1 3.45Å; F137-L142 HydrophobicContact CE1-CD2 4.02Å; F137-L142 HydrophobicContact CE1-CG 3.67Å; F137-L142 HydrophobicContact CE2-CD2 4.41Å; F137-L142 HydrophobicContact CE2-CG 4.33Å; F137-L142 HydrophobicContact CZ-CD1 4.03Å; F137-L142 HydrophobicContact CZ-CD2 3.71Å; F137-L142 HydrophobicContact CZ-CG 3.75Å; F137-L142 PolarHBondContact O-N 3.08Å; F137-L142 VanDerWaalsContact O-N 3.08Å; G138-L142 PolarHBondContact O-N 3.47Å; L142-H144 PolarHBondContact O-N 3.31Å; L142-F145 WeakPolarHBondContact O-CB 3.46Å; L142-F145 PolarHBondContact O-N 2.9Å; L142-L146 WeakPolarHBondContact O-CB 3.36Å; L142-L146 PolarHBondContact O-N 3.4Å; L142-L312 HydrophobicContact CD1-CB 4.32Å; L142-L312 HydrophobicContact CD1-CD1 4.41Å; L142-L312 HydrophobicContact CD2-CB 4.31Å; L142-T313 HydrophobicContact CB-CG2 4.15Å; L142-T313 HydrophobicContact CD2-CG2 4.08Å
143G98.7Very high97.3Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-61.8-43.3176.600000112G138 H141 L147G138-G143 PolarHBondContact O-N 3.33Å; H141-G143 PolarHBondContact O-N 3.41Å; G143-L147 WeakPolarHBondContact O-CB 3.29Å; G143-L147 PolarHBondContact O-N 2.91Å
144H98.9Very high97.6Very high1 Ų118.1 Ų18.11%0.0059%0.089CC..Hα-helixtrans-71.4-35.4175.7-72.3126.5000112.9T40 L94 N119 A121 V139 N140 H141 L142 L147 T148T40-H144 PolarHBondContact OG1-NE2 3.12Å; L94-H144 VanDerWaalsContact CD1-NE2 3.33Å; L94-H144 WeakPolarHBondContact CD1-NE2 2.99Å; N119-H144 HydrophobicContact CB-CB 4.12Å; N119-H144 VanDerWaalsContact CB-CD2 3.47Å; N119-H144 WeakPolarHBondContact CB-CD2 3.23Å; N119-H144 PolarHBondContact OD1-CD2 3.46Å; A121-H144 PolarHBondContact O-CE1 2.88Å; A121-H144 VanDerWaalsContact O-CE1 3.24Å; V139-H144 PolarHBondContact O-ND1 3.41Å; N140-H144 PolarHBondContact O-ND1 2.95Å; H141-H144 PolarHBondContact O-N 2.96Å; H141-H144 VanDerWaalsContact O-N 3.14Å; L142-H144 PolarHBondContact O-N 3.31Å; H144-L147 PolarHBondContact O-N 3.47Å; H144-T148 VanDerWaalsContact O-CB 3.28Å; H144-T148 WeakPolarHBondContact O-CB 3.45Å; H144-T148 PolarHBondContact O-N 3.02Å; H144-T148 PolarHBondContact O-OG1 3.41Å
145F98.9Very high97.8Very high1 Ų116.7 Ų16.70%0.0048%0.081CC..Hα-helixtrans-59.2-52.5175.1178.1-95.2000110.2H141 L142 N149 F210 W306 S309 E310 T313 M315H141-F145 VanDerWaalsContact O-CB 3.32Å; H141-F145 WeakPolarHBondContact O-CB 3.42Å; H141-F145 PolarHBondContact O-N 3.33Å; L142-F145 WeakPolarHBondContact O-CB 3.46Å; L142-F145 PolarHBondContact O-N 2.9Å; F145-N149 PolarHBondContact O-N 3.23Å; F145-N149 VanDerWaalsContact O-N 3.14Å; F145-N149 PolarHBondContact O-ND2 3.02Å; F145-F210 AromaticContact CD2-CD2 3.5Å; F145-F210 HydrophobicContact CD2-CD2 3.5Å; F145-F210 VanDerWaalsContact CD2-CD2 3.5Å; F145-F210 AromaticContact CD2-CE2 3.49Å; F145-F210 HydrophobicContact CD2-CE2 3.49Å; F145-F210 VanDerWaalsContact CD2-CE2 3.49Å; F145-F210 HydrophobicContact CE2-CD2 4.03Å; F145-F210 HydrophobicContact CE2-CE2 4.02Å; F145-F210 HydrophobicContact CG-CE2 4.41Å; F145-W306 AromaticContact CE2-CD2 3.63Å; F145-W306 HydrophobicContact CE2-CD2 3.63Å; F145-W306 AromaticContact CE2-CE2 3.86Å; F145-W306 AromaticContact CE2-CE3 3.71Å; F145-W306 HydrophobicContact CE2-CE3 3.71Å; F145-W306 HydrophobicContact CE2-CG 4.09Å; F145-W306 HydrophobicContact CE2-CH2 4.25Å; F145-W306 HydrophobicContact CE2-CZ2 4.18Å; F145-W306 HydrophobicContact CE2-CZ3 4.02Å; F145-W306 AromaticContact CZ-CD2 3.99Å; F145-W306 HydrophobicContact CZ-CD2 3.99Å; F145-W306 AromaticContact CZ-CE2 3.87Å; F145-W306 HydrophobicContact CZ-CG 4.19Å; F145-W306 HydrophobicContact CZ-CZ2 4.3Å; F145-W306 AromaticContact CZ-NE1 3.96Å; F145-S309 VanDerWaalsContact CE1-C 3.41Å; F145-S309 VanDerWaalsContact CE1-CB 3.41Å; F145-E310 HydrophobicContact CE1-CG 4.03Å; F145-E310 HydrophobicContact CZ-CG 3.77Å; F145-T313 HydrophobicContact CD1-CG2 4.16Å; F145-M315 HydrophobicContact CD1-CE 3.61Å; F145-M315 HydrophobicContact CE1-CE 3.08Å; F145-M315 HydrophobicContact CZ-CE 3.87Å
146L98.9Very high98Very high0 Ų020.7 Ų20.70%09%0.094CC..Hα-helixtrans-62.4-48.5176.7179.259.6000111.1L97 V100 R101 L142 T148 N149 L150 T313 M315L97-L146 HydrophobicContact CB-CD2 3.83Å; L97-L146 HydrophobicContact CD2-CD2 3.76Å; L97-L146 HydrophobicContact CG-CD2 4.24Å; V100-L146 HydrophobicContact CB-CD2 4.07Å; V100-L146 HydrophobicContact CB-CG 4.5Å; V100-L146 HydrophobicContact CG1-CB 4.08Å; V100-L146 HydrophobicContact CG1-CD2 3.92Å; V100-L146 HydrophobicContact CG1-CG 3.8Å; R101-L146 HydrophobicContact CG-CD2 4.19Å; L142-L146 WeakPolarHBondContact O-CB 3.36Å; L142-L146 PolarHBondContact O-N 3.4Å; L146-T148 VanDerWaalsContact C-N 3.34Å; L146-T148 PolarHBondContact O-N 2.93Å; L146-N149 PolarHBondContact O-N 3.32Å; L146-L150 HydrophobicContact CD1-CD1 3.79Å; L146-L150 HydrophobicContact CD1-CD2 4.35Å; L146-L150 HydrophobicContact CD1-CG 3.88Å; L146-L150 HydrophobicContact CG-CD1 3.79Å; L146-L150 HydrophobicContact CG-CG 4.29Å; L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 3.34Å; L146-T313 HydrophobicContact CB-CG2 4.08Å; L146-M315 HydrophobicContact CD1-CE 4.45Å; L146-M315 HydrophobicContact CD1-CG 3.77Å; L146-M315 HydrophobicContact CD1-SD 3.6Å; L146-M315 VanDerWaalsContact CD1-SD 3.6Å
147L98.9Very high98.3Very high0 Ų026.8 Ų26.80%013%0.126CC..Hα-helixtrans-55.4-48.3179.517964000112.1T40 L92 V100 F103 L117 G143 H144 L150 L151T40-L147 HydrophobicContact CG2-CD2 3.67Å; L92-L147 HydrophobicContact CD2-CD2 3.92Å; V100-L147 HydrophobicContact CG1-CB 3.81Å; V100-L147 HydrophobicContact CG1-CD1 4.35Å; F103-L147 HydrophobicContact CD1-CD1 3.47Å; F103-L147 VanDerWaalsContact CD1-CD1 3.47Å; F103-L147 HydrophobicContact CE1-CD1 3.71Å; L117-L147 HydrophobicContact CD1-CD2 4.3Å; G143-L147 WeakPolarHBondContact O-CB 3.29Å; G143-L147 PolarHBondContact O-N 2.91Å; H144-L147 PolarHBondContact O-N 3.47Å; L147-L150 PolarHBondContact O-N 3.26Å; L147-L151 HydrophobicContact CD1-CD1 3.68Å; L147-L151 HydrophobicContact CD1-CG 4.29Å; L147-L151 HydrophobicContact CG-CD1 4.12Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 WeakPolarHBondContact O-CG 3.17Å; L147-L151 PolarHBondContact O-N 3.49Å; L147-L151 VanDerWaalsContact O-N 3.15Å
148T98.9Very high98.3Very high0 Ų027 Ų270%013%0.129CC..Hα-helixtrans-64.2-44.1-177.6-56.10000110.9L117 N119 H144 L146 L151 L152 V163 F210 L214L117-T148 HydrophobicContact CD2-CG2 4.09Å; N119-T148 PolarHBondContact ND2-OG1 3.34Å; H144-T148 VanDerWaalsContact O-CB 3.28Å; H144-T148 WeakPolarHBondContact O-CB 3.45Å; H144-T148 PolarHBondContact O-N 3.02Å; H144-T148 PolarHBondContact O-OG1 3.41Å; L146-T148 VanDerWaalsContact C-N 3.34Å; L146-T148 PolarHBondContact O-N 2.93Å; T148-L151 CarbonylContact O-C 3.58Å; T148-L151 PolarHBondContact O-N 3.34Å; T148-L152 WeakPolarHBondContact O-CB 3.19Å; T148-L152 PolarHBondContact O-N 2.82Å; T148-V163 HydrophobicContact CG2-CG1 3.98Å; T148-V163 HydrophobicContact CG2-CG2 4.2Å; T148-F210 HydrophobicContact CG2-CZ 3.85Å; T148-L214 HydrophobicContact CG2-CD1 4.45Å; T148-L214 HydrophobicContact CG2-CD2 3.85Å
149N98.8Very high98Very high32 Ų3228.3 Ų28.317%0.17114%0.142CC..Hα-helixtrans-66.6-40.8179.6-79.8-71.1000112.3F145 L146 L151 L152 W306 M315F145-N149 PolarHBondContact O-N 3.23Å; F145-N149 VanDerWaalsContact O-N 3.14Å; F145-N149 PolarHBondContact O-ND2 3.02Å; L146-N149 PolarHBondContact O-N 3.32Å; N149-L151 PolarHBondContact O-N 3.42Å; N149-L152 VanDerWaalsContact O-CB 3.29Å; N149-L152 WeakPolarHBondContact O-CB 3.28Å; N149-L152 PolarHBondContact O-N 3.23Å; N149-W306 VanDerWaalsContact OD1-CZ2 3.3Å; N149-W306 WeakPolarHBondContact OD1-CZ2 3.44Å; N149-M315 HydrophobicContact CB-CE 3.65Å; N149-M315 HydrophobicContact CB-SD 3.58Å; N149-M315 VanDerWaalsContact CB-SD 3.58Å
150L98.9Very high98Very high52 Ų5232.5 Ų32.527%0.27217%0.169SC..Hα-helixtrans-64.3-28.2176-68.7173.8000113.2V100 R101 A104 L146 L147V100-L150 HydrophobicContact CG1-CD1 4.36Å; R101-L150 HydrophobicContact CB-CD1 4.49Å; R101-L150 HydrophobicContact CG-CD1 3.91Å; A104-L150 HydrophobicContact CB-CB 3.73Å; A104-L150 HydrophobicContact CB-CD1 3.79Å; A104-L150 HydrophobicContact CB-CG 4.39Å; L146-L150 HydrophobicContact CD1-CD1 3.79Å; L146-L150 HydrophobicContact CD1-CD2 4.35Å; L146-L150 HydrophobicContact CD1-CG 3.88Å; L146-L150 HydrophobicContact CG-CD1 3.79Å; L146-L150 HydrophobicContact CG-CG 4.29Å; L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 3.34Å; L147-L150 PolarHBondContact O-N 3.26Å
151L98.8Very high98Very high0 Ų032.6 Ų32.60%017%0.17CC..THydrogen-bonded Turntrans-97.7-0.2179.3-62.7-180000113.4F103 A104 F107 L108 L114 L117 L147 T148 N149 E153 R154 L155F103-L151 HydrophobicContact CE1-CD1 4.29Å; A104-L151 HydrophobicContact CB-CD2 4.13Å; F107-L151 HydrophobicContact CB-CD2 4.41Å; F107-L151 HydrophobicContact CD1-CD2 3.54Å; F107-L151 HydrophobicContact CE1-CD2 4.17Å; F107-L151 HydrophobicContact CG-CD2 4.15Å; L108-L151 HydrophobicContact CD2-CD2 4.11Å; L108-L151 HydrophobicContact CG-CD2 4.04Å; L114-L151 HydrophobicContact CD2-CB 3.82Å; L114-L151 HydrophobicContact CD2-CD1 3.92Å; L114-L151 HydrophobicContact CD2-CG 4.36Å; L117-L151 HydrophobicContact CD1-CD1 4.49Å; L147-L151 HydrophobicContact CD1-CD1 3.68Å; L147-L151 HydrophobicContact CD1-CG 4.29Å; L147-L151 HydrophobicContact CG-CD1 4.12Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 WeakPolarHBondContact O-CG 3.17Å; L147-L151 PolarHBondContact O-N 3.49Å; L147-L151 VanDerWaalsContact O-N 3.15Å; T148-L151 CarbonylContact O-C 3.58Å; T148-L151 PolarHBondContact O-N 3.34Å; N149-L151 PolarHBondContact O-N 3.42Å; L151-E153 PolarHBondContact O-N 3.38Å; L151-R154 PolarHBondContact O-N 3.45Å; L151-R154 VanDerWaalsContact O-N 3.15Å; L151-L155 PolarHBondContact O-N 3.31Å; L151-L155 VanDerWaalsContact O-N 3.08Å
152L98.4Very high98Very high19 Ų1933.8 Ų33.810%0.09917%0.174CC..Hα-helixtrans-65-41.3-169.1-168.860.5000112.7T148 N149 R154 L155 R156 L214 L218T148-L152 WeakPolarHBondContact O-CB 3.19Å; T148-L152 PolarHBondContact O-N 2.82Å; N149-L152 VanDerWaalsContact O-CB 3.29Å; N149-L152 WeakPolarHBondContact O-CB 3.28Å; N149-L152 PolarHBondContact O-N 3.23Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 3.19Å; L152-L155 HydrophobicContact CD1-CD1 4.48Å; L152-L155 WeakPolarHBondContact O-CB 3.35Å; L152-L155 PolarHBondContact O-N 2.8Å; L152-R156 WeakPolarHBondContact O-CG 3.22Å; L152-R156 PolarHBondContact O-N 3.15Å; L152-L214 HydrophobicContact CD1-CD1 4.32Å; L152-L218 HydrophobicContact CD1-CD1 4.05Å; L152-L218 HydrophobicContact CD1-CD2 3.93Å; L152-L218 HydrophobicContact CD2-CD2 4.32Å; L152-L218 HydrophobicContact CG-CD2 4.35Å
153E98.2Very high98Very high142 Ų14233.8 Ų33.866%0.66418%0.175SC*.Hα-helixtrans-60.4-42.1176.2-170.9-175177.300110.9L151 L155 R156 L157L151-E153 PolarHBondContact O-N 3.38Å; E153-L155 PolarHBondContact O-N 2.95Å; E153-R156 PolarHBondContact O-N 2.96Å; E153-L157 HydrophobicContact CG-CD1 4.25Å; E153-L157 WeakPolarHBondContact O-CG 3.5Å; E153-L157 PolarHBondContact O-N 3Å
154R98.5Very high98Very high42 Ų4233.8 Ų33.816%0.15818%0.175CC..Hα-helixtrans-65-40.8178.2-17457.965.381.97.5112.3F107 L108 E111 P112 L114 L151 L152 R156 L157 C158F107-R154 HydrophobicContact CE1-CG 4.33Å; L108-R154 HydrophobicContact CD2-CB 3.78Å; L108-R154 HydrophobicContact CD2-CG 4.37Å; L108-R154 PolarHBondContact O-NH2 3Å; E111-R154 PolarHBondContact O-NH1 3.3Å; P112-R154 PolarHBondContact O-NH1 2.76Å; L114-R154 HydrophobicContact CB-CB 4.45Å; L114-R154 HydrophobicContact CB-CG 3.76Å; L151-R154 PolarHBondContact O-N 3.45Å; L151-R154 VanDerWaalsContact O-N 3.15Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 3.19Å; R154-R156 VanDerWaalsContact C-N 3.31Å; R154-R156 PolarHBondContact O-N 2.87Å; R154-L157 PolarHBondContact O-N 3.05Å; R154-C158 WeakPolarHBondContact O-CB 3.47Å; R154-C158 PolarHBondContact O-N 3.29Å; R154-C158 VanDerWaalsContact O-N 3.11Å; R154-C158 PolarHBondContact O-SG 3.46Å
155L98.6Very high98Very high0 Ų033.8 Ų33.80%018%0.175CC..Hα-helixtrans-58.8-43.3174.2-76.1159.7000111.3L114 L117 L151 L152 E153 C158 G159 S161 V163 V223L114-L155 HydrophobicContact CB-CD2 4.43Å; L114-L155 HydrophobicContact CD2-CD1 4.34Å; L114-L155 HydrophobicContact CD2-CD2 3.96Å; L114-L155 HydrophobicContact CD2-CG 3.81Å; L114-L155 HydrophobicContact CG-CD2 3.69Å; L114-L155 HydrophobicContact CG-CG 4.03Å; L117-L155 HydrophobicContact CB-CD1 4.43Å; L117-L155 HydrophobicContact CB-CD2 4.45Å; L117-L155 HydrophobicContact CD2-CD1 4.38Å; L151-L155 PolarHBondContact O-N 3.31Å; L151-L155 VanDerWaalsContact O-N 3.08Å; L152-L155 HydrophobicContact CD1-CD1 4.48Å; L152-L155 WeakPolarHBondContact O-CB 3.35Å; L152-L155 PolarHBondContact O-N 2.8Å; E153-L155 PolarHBondContact O-N 2.95Å; L155-C158 PolarHBondContact O-N 3.06Å; L155-G159 PolarHBondContact O-N 3.32Å; L155-S161 VanDerWaalsContact O-CB 3.29Å; L155-S161 WeakPolarHBondContact O-CB 3.47Å; L155-S161 PolarHBondContact O-OG 3.34Å; L155-V163 HydrophobicContact CD1-CG2 3.64Å; L155-V223 HydrophobicContact CB-CG1 4.37Å; L155-V223 HydrophobicContact CB-CG2 4.28Å
156R98.2Very high98Very high120 Ų12034.1 Ų34.145%0.45318%0.176SC..Hα-helixtrans-63.5-46.9177.7-72174.6176.8173.7-2.2112.1L152 E153 R154 C158 G159 V223L152-R156 WeakPolarHBondContact O-CG 3.22Å; L152-R156 PolarHBondContact O-N 3.15Å; E153-R156 PolarHBondContact O-N 2.96Å; R154-R156 VanDerWaalsContact C-N 3.31Å; R154-R156 PolarHBondContact O-N 2.87Å; R156-C158 PolarHBondContact O-N 3.43Å; R156-G159 PolarHBondContact O-N 3.31Å; R156-V223 HydrophobicContact CB-CG2 4.37Å; R156-V223 HydrophobicContact CG-CG2 3.81Å
157L97.6Very high97.8Very high128 Ų12834.2 Ų34.267%0.6718%0.177SC*.Hα-helixtrans-65-24.8179.3-69.3172.6000113.4E153 R154E153-L157 HydrophobicContact CG-CD1 4.25Å; E153-L157 WeakPolarHBondContact O-CG 3.5Å; E153-L157 PolarHBondContact O-N 3Å; R154-L157 PolarHBondContact O-N 3.05Å
158C96.8Very high97.3Very high17 Ų1734.4 Ų34.412%0.11518%0.179CC..THydrogen-bonded Turntrans-100.68.8-177.9-63.80000113.9R113 L114 R154 L155 R156 S161R113-C158 WeakPolarHBondContact CA-SG 3.32Å; L114-C158 VanDerWaalsContact O-CB 3.28Å; L114-C158 WeakPolarHBondContact O-CB 3.37Å; R154-C158 WeakPolarHBondContact O-CB 3.47Å; R154-C158 PolarHBondContact O-N 3.29Å; R154-C158 VanDerWaalsContact O-N 3.11Å; R154-C158 PolarHBondContact O-SG 3.46Å; L155-C158 PolarHBondContact O-N 3.06Å; R156-C158 PolarHBondContact O-N 3.43Å; C158-S161 PolarHBondContact O-OG 3Å
159G90.1Very high96.7Very high29 Ų2938.4 Ų38.430%0.29920%0.2SC..  trans-48.5147.6-17800000113.7L155 R156L155-G159 PolarHBondContact O-N 3.32Å; R156-G159 PolarHBondContact O-N 3.31Å
160P96.3Very high96Very high99 Ų9939.9 Ų39.964%0.64321%0.208SC*.SBendcis-72.5131.61.229.2-34.9000112.6D222P160-D222 WeakPolarHBondContact CA-O 3.31Å
161S98.4Very high95.6Very high1 Ų137.5 Ų37.51%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-130157.7-175.3-62.50000112L114 D115 L155 C158 D222 V223 T224L114-S161 PolarHBondContact O-OG 2.85Å; D115-S161 CarbonylContact O-C 3.59Å; D115-S161 WeakPolarHBondContact O-CA 3.5Å; D115-S161 WeakPolarHBondContact O-CB 3.43Å; L155-S161 VanDerWaalsContact O-CB 3.29Å; L155-S161 WeakPolarHBondContact O-CB 3.47Å; L155-S161 PolarHBondContact O-OG 3.34Å; C158-S161 PolarHBondContact O-OG 3Å; S161-D222 PolarHBondContact N-O 2.89Å; S161-V223 WeakPolarHBondContact O-CA 3.44Å; S161-T224 PolarHBondContact O-N 3.05Å
162R98.7Very high95.2Very high26 Ų2643.6 Ų43.610%0.09822%0.218CC..EExtended strand (participates in β ladder)trans-132.3136.3-176.7-57.2-170.3174.7-175.34.9113.1D115 I116 L117 I164 T224 C270 A271 Q273 E277D115-R162 PolarHBondContact O-N 2.72Å; I116-R162 CarbonylContact C-O 3.57Å; I116-R162 WeakPolarHBondContact CA-O 3.42Å; L117-R162 PolarHBondContact N-O 3.21Å; R162-I164 HydrophobicContact CB-CD1 3.69Å; R162-T224 CarbonylContact C-O 3.57Å; R162-T224 VanDerWaalsContact CA-O 3.32Å; R162-T224 WeakPolarHBondContact CA-O 3.48Å; R162-C270 WeakPolarHBondContact CD-O 3.38Å; R162-C270 PolarHBondContact NH1-O 2.83Å; R162-A271 PolarHBondContact NH1-O 3Å; R162-Q273 VanDerWaalsContact CZ-O 3.23Å; R162-Q273 PolarHBondContact NH1-O 3.25Å; R162-Q273 PolarHBondContact NH2-O 2.95Å; R162-E277 IonicContact CZ-OE1 3.69Å; R162-E277 IonicContact NH2-OE1 3.84Å; R162-E277 PolarHBondContact NH2-OE1 3.45Å
163V98.9Very high94.8Very high1 Ų147.8 Ų47.81%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-110.2122.2167.4-175.90000109.1L117 T148 L155 L214 V223 T224 C225 Y226L117-V163 HydrophobicContact CB-CG2 4.48Å; L117-V163 HydrophobicContact CD2-CG1 4.47Å; L117-V163 CarbonylContact O-C 3.58Å; L117-V163 WeakPolarHBondContact O-CA 3.29Å; T148-V163 HydrophobicContact CG2-CG1 3.98Å; T148-V163 HydrophobicContact CG2-CG2 4.2Å; L155-V163 HydrophobicContact CD1-CG2 3.64Å; V163-L214 HydrophobicContact CB-CD2 4.15Å; V163-L214 HydrophobicContact CG1-CD2 3.99Å; V163-L214 HydrophobicContact CG2-CD2 4.32Å; V163-V223 HydrophobicContact CG2-CG1 4.31Å; V163-T224 PolarHBondContact N-O 2.83Å; V163-C225 CarbonylContact O-C 3.59Å; V163-C225 VanDerWaalsContact O-CA 3.28Å; V163-C225 WeakPolarHBondContact O-CA 3.36Å; V163-Y226 PolarHBondContact O-N 3.16Å
164I98.9Very high94.5Very high0 Ų041.1 Ų41.10%021%0.209CC..EExtended strand (participates in β ladder)trans-117.5119.9-179.8-61.286.1000108.8I116 L117 I118 N119 R162 Y226 L228 T267 C270 A271I116-I164 HydrophobicContact CG2-CD1 3.56Å; L117-I164 PolarHBondContact O-N 3.11Å; I118-I164 CarbonylContact C-O 3.51Å; I118-I164 WeakPolarHBondContact CA-O 3.33Å; I118-I164 HydrophobicContact CG1-CB 4.49Å; I118-I164 HydrophobicContact CG1-CD1 4.44Å; I118-I164 HydrophobicContact CG2-CB 4.49Å; N119-I164 PolarHBondContact N-O 3.19Å; R162-I164 HydrophobicContact CB-CD1 3.69Å; I164-Y226 CarbonylContact C-O 3.55Å; I164-Y226 WeakPolarHBondContact CA-O 3.43Å; I164-L228 HydrophobicContact CG2-CD2 3.46Å; I164-L228 VanDerWaalsContact CG2-CD2 3.46Å; I164-L228 HydrophobicContact CG2-CG 4.49Å; I164-T267 HydrophobicContact CG2-CG2 4.19Å; I164-C270 HydrophobicContact CG1-CB 3.9Å; I164-C270 HydrophobicContact CG2-CB 4.15Å; I164-A271 HydrophobicContact CD1-CB 4.09Å
165T98.9Very high94.2Very high1 Ų141.9 Ų41.91%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-114.1115.6-178.9-53.40000112N119 S167 N207 F210 Y226 T227 L228N119-T165 HydrophobicContact CB-CG2 4.04Å; N119-T165 PolarHBondContact ND2-OG1 2.73Å; T165-S167 PolarHBondContact O-N 3.06Å; T165-N207 HydrophobicContact CG2-CB 3.69Å; T165-F210 HydrophobicContact CG2-CD1 4.41Å; T165-Y226 PolarHBondContact N-O 3.08Å; T165-T227 VanDerWaalsContact O-CA 3.26Å; T165-T227 WeakPolarHBondContact O-CA 3.37Å; T165-T227 PolarHBondContact O-OG1 3.46Å; T165-L228 PolarHBondContact O-N 3.14Å
166V98Very high94Very high7 Ų743.2 Ų43.24%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-77.4114.4-177.9-177.90000110.4N119 N120 K204 N207 L228 P230N119-V166 PolarHBondContact O-N 2.73Å; N120-V166 HydrophobicContact CB-CG2 4.04Å; V166-K204 PolarHBondContact O-NZ 3.01Å; V166-K204 VanDerWaalsContact O-NZ 3.1Å; V166-N207 PolarHBondContact O-ND2 3.3Å; V166-L228 HydrophobicContact CG1-CD1 4.36Å; V166-L228 HydrophobicContact CG2-CD1 4.32Å; V166-P230 HydrophobicContact CG1-CG 4.02Å
167S95.4Very high93.6Very high2 Ų240.5 Ų40.51%0.01422%0.222CC..  trans-103.6-158.6171.9-173.20000110.2T165 K204 L228T165-S167 PolarHBondContact O-N 3.06Å; S167-K204 PolarHBondContact OG-O 3.1Å; S167-L228 CarbonylContact C-O 3.59Å; S167-L228 VanDerWaalsContact CA-O 3.3Å; S167-L228 WeakPolarHBondContact CA-O 3.42Å; S167-L228 WeakPolarHBondContact CB-O 3.38Å; S167-L228 PolarHBondContact N-O 2.89Å
168A88.3Confident93.3Very high5 Ų536.2 Ų36.24%0.04120%0.198CC..  trans-149.9160.117700000110L170 H171 Y200 K204A168-L170 PolarHBondContact O-N 2.93Å; A168-L170 VanDerWaalsContact O-N 3.15Å; A168-H171 WeakPolarHBondContact O-CB 3.23Å; A168-H171 PolarHBondContact O-N 2.96Å; A168-H171 PolarHBondContact O-ND1 3.03Å; A168-Y200 HydrophobicContact CB-CE1 4.3Å; A168-K204 HydrophobicContact CB-CB 4.35Å; A168-K204 HydrophobicContact CB-CD 4.24Å; A168-K204 HydrophobicContact CB-CG 4Å
169L86.1Confident92.7Very high83 Ų8343.8 Ų43.844%0.43523%0.232SC..G310 helixtrans-56-31.2173.4-175.762.7000112.3H171 R172 H229L169-H171 PolarHBondContact O-N 2.97Å; L169-H171 VanDerWaalsContact O-N 3.07Å; L169-R172 WeakPolarHBondContact O-CG 3.47Å; L169-R172 PolarHBondContact O-N 3.37Å; L169-H229 PolarHBondContact N-ND1 3.49Å
170L84.8Confident92.4Very high64 Ų6451.7 Ų51.734%0.33525%0.253SS..G310 helixtrans-62.9-10.7177.7-73.392.5000114.4A168 R172 I173 G174 L197A168-L170 PolarHBondContact O-N 2.93Å; A168-L170 VanDerWaalsContact O-N 3.15Å; L170-R172 PolarHBondContact O-N 3.05Å; L170-R172 VanDerWaalsContact O-N 3.11Å; L170-I173 HydrophobicContact CB-CG1 4.49Å; L170-I173 HydrophobicContact CD2-CD1 4.43Å; L170-I173 WeakPolarHBondContact O-CG1 3.41Å; L170-I173 PolarHBondContact O-N 3.15Å; L170-I173 VanDerWaalsContact O-N 3.17Å; L170-G174 PolarHBondContact O-N 3.27Å; L170-L197 HydrophobicContact CD2-CD1 3.8Å
171H89.2Confident91.8Very high2 Ų248 Ų481%0.00923%0.227CC..G310 helixtrans-56.3-27170.779.6-87.7000112.4A168 L169 I173 G174 K204 L205 V208 Y283A168-H171 WeakPolarHBondContact O-CB 3.23Å; A168-H171 PolarHBondContact O-N 2.96Å; A168-H171 PolarHBondContact O-ND1 3.03Å; L169-H171 PolarHBondContact O-N 2.97Å; L169-H171 VanDerWaalsContact O-N 3.07Å; H171-I173 PolarHBondContact O-N 3.36Å; H171-G174 PolarHBondContact O-N 3.43Å; H171-G174 VanDerWaalsContact O-N 3.09Å; H171-K204 HydrophobicContact CB-CB 4.18Å; H171-L205 HydrophobicContact CB-CB 4.37Å; H171-V208 HydrophobicContact CB-CG2 4.19Å; H171-Y283 AromaticContact CE1-CE2 3.72Å; H171-Y283 AromaticContact CE1-CZ 3.54Å; H171-Y283 PolarHBondContact CE1-OH 2.98Å; H171-Y283 AromaticContact ND1-CE2 3.91Å; H171-Y283 AromaticContact ND1-CZ 3.9Å; H171-Y283 PolarHBondContact ND1-OH 2.9Å
172R90.2Very high91.1Very high128 Ų12850.3 Ų50.348%0.48325%0.247SC..G310 helixtrans-65.8-23.8-178.6-67.4-175.2172.9-167.7-1.1113.7L169 L170 Q291L169-R172 WeakPolarHBondContact O-CG 3.47Å; L169-R172 PolarHBondContact O-N 3.37Å; L170-R172 PolarHBondContact O-N 3.05Å; L170-R172 VanDerWaalsContact O-N 3.11Å; R172-Q291 PolarHBondContact NH2-O 3.48Å
173I90Very high90.2Very high106 Ų10651.7 Ų51.754%0.54426%0.259SS..G310 helixtrans-105.25.9176.261.6168.1000112L170 H171 Q198 C201L170-I173 HydrophobicContact CB-CG1 4.49Å; L170-I173 HydrophobicContact CD2-CD1 4.43Å; L170-I173 WeakPolarHBondContact O-CG1 3.41Å; L170-I173 PolarHBondContact O-N 3.15Å; L170-I173 VanDerWaalsContact O-N 3.17Å; H171-I173 PolarHBondContact O-N 3.36Å; I173-Q198 PolarHBondContact O-NE2 2.85Å; I173-C201 HydrophobicContact CG1-CB 4.2Å
174G92.1Very high89.1Confident3 Ų355.9 Ų55.93%0.03128%0.278CS..  trans-73.2150.1172.800000111.6L170 H171 N202 L205L170-G174 PolarHBondContact O-N 3.27Å; H171-G174 PolarHBondContact O-N 3.43Å; H171-G174 VanDerWaalsContact O-N 3.09Å; G174-N202 WeakPolarHBondContact CA-OD1 3.49Å; G174-L205 VanDerWaalsContact O-CD2 3.28Å; G174-L205 WeakPolarHBondContact O-CD2 3.4Å
175S93.8Very high87.4Confident58 Ų5862.3 Ų62.341%0.40632%0.318SS..  trans-138.1152.8171.459.90000109.4N202S175-N202 PolarHBondContact N-OD1 3.23Å; S175-N202 WeakPolarHBondContact O-CB 3.35Å; S175-N202 PolarHBondContact O-ND2 3.24Å; S175-N202 VanDerWaalsContact O-ND2 3.17Å; S175-N202 PolarHBondContact O-OD1 2.67Å
176I93.3Very high85.5Confident28 Ų2868.6 Ų68.614%0.14435%0.351CS..  trans-114.4114.2179.5-60.2-179.1000108.5F178 L181 L205 L209 L301 L305I176-F178 HydrophobicContact CB-CZ 4.47Å; I176-F178 HydrophobicContact CG2-CD1 3.86Å; I176-F178 HydrophobicContact CG2-CD2 4.1Å; I176-F178 HydrophobicContact CG2-CE1 3.58Å; I176-F178 HydrophobicContact CG2-CE2 3.87Å; I176-F178 HydrophobicContact CG2-CG 4.11Å; I176-F178 HydrophobicContact CG2-CZ 3.61Å; I176-L181 HydrophobicContact CG2-CD1 3.87Å; I176-L205 HydrophobicContact CD1-CD2 4.45Å; I176-L205 HydrophobicContact CD1-CG 4.47Å; I176-L205 HydrophobicContact CG1-CD2 4.13Å; I176-L209 HydrophobicContact CD1-CD1 3.36Å; I176-L301 HydrophobicContact CB-CD1 4.42Å; I176-L301 HydrophobicContact CD1-CD2 4.5Å; I176-L301 HydrophobicContact CD1-CG 4.5Å; I176-L305 HydrophobicContact CD1-CD1 4.31Å; I176-L305 HydrophobicContact CD1-CD2 4.11Å
177D90.9Very high83.6Confident62 Ų6273 Ų7333%0.33239%0.388SS..  trans-10599167-178.4-5.8000108.6Q179 R180 L181D177-Q179 PolarHBondContact O-N 2.8Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.39Å; D177-Q179 PolarHBondContact OD1-N 3.02Å; D177-Q179 VanDerWaalsContact OD1-N 3.08Å; D177-R180 HydrophobicContact CB-CB 4.33Å; D177-R180 HydrophobicContact CB-CG 4.36Å; D177-R180 PolarHBondContact O-N 3.06Å; D177-R180 WeakPolarHBondContact OD2-CD 3.45Å; D177-R180 VanDerWaalsContact OD2-CG 3.31Å; D177-R180 WeakPolarHBondContact OD2-CG 3.22Å; D177-R180 IonicContact OD2-CZ 3.9Å; D177-R180 IonicContact OD2-NE 3.14Å; D177-R180 PolarHBondContact OD2-NE 2.79Å; D177-R180 VanDerWaalsContact OD2-NE 3.14Å; D177-L181 PolarHBondContact O-N 3.18Å
178F90.9Very high81.8Confident39 Ų3975.7 Ų75.717%0.17140%0.404CS..G310 helixtrans-61-24.9-177-68.1-73.2000113.9I176 R180 L181 L301 K304 L305 V308I176-F178 HydrophobicContact CB-CZ 4.47Å; I176-F178 HydrophobicContact CG2-CD1 3.86Å; I176-F178 HydrophobicContact CG2-CD2 4.1Å; I176-F178 HydrophobicContact CG2-CE1 3.58Å; I176-F178 HydrophobicContact CG2-CE2 3.87Å; I176-F178 HydrophobicContact CG2-CG 4.11Å; I176-F178 HydrophobicContact CG2-CZ 3.61Å; F178-R180 VanDerWaalsContact C-N 3.25Å; F178-R180 PolarHBondContact O-N 2.7Å; F178-L181 HydrophobicContact CD1-CD1 3.9Å; F178-L181 HydrophobicContact CE1-CD1 4.34Å; F178-L181 PolarHBondContact O-N 3.2Å; F178-L301 HydrophobicContact CE2-CD1 3.53Å; F178-L301 HydrophobicContact CZ-CD1 3.61Å; F178-K304 HydrophobicContact CD1-CG 4.5Å; F178-K304 HydrophobicContact CD2-CD 3.88Å; F178-K304 VanDerWaalsContact CD2-CE 3.47Å; F178-K304 HydrophobicContact CD2-CG 4.37Å; F178-K304 HydrophobicContact CE1-CG 4.05Å; F178-K304 HydrophobicContact CE2-CB 4.44Å; F178-K304 HydrophobicContact CE2-CD 3.53Å; F178-K304 HydrophobicContact CE2-CG 3.88Å; F178-K304 HydrophobicContact CZ-CB 4.01Å; F178-K304 HydrophobicContact CZ-CD 3.91Å; F178-K304 HydrophobicContact CZ-CG 3.7Å; F178-L305 HydrophobicContact CE1-CB 4.2Å; F178-L305 HydrophobicContact CE1-CD1 4.33Å; F178-L305 HydrophobicContact CZ-CB 4.4Å; F178-V308 HydrophobicContact CD1-CB 4.27Å; F178-V308 HydrophobicContact CD1-CG1 4.34Å; F178-V308 HydrophobicContact CD1-CG2 3.8Å; F178-V308 HydrophobicContact CE1-CB 4.5Å; F178-V308 HydrophobicContact CE1-CG2 4.21Å
179Q83.8Confident80.4Confident176 Ų17679.5 Ų79.582%0.82243%0.429SS*.G310 helixtrans-70.7-28.1177.6-63.5-178.2-10.900111.2D177D177-Q179 PolarHBondContact O-N 2.8Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.39Å; D177-Q179 PolarHBondContact OD1-N 3.02Å; D177-Q179 VanDerWaalsContact OD1-N 3.08Å
180R82.9Confident79.3Confident195 Ų19582 Ų8274%0.73645%0.45SS*.G310 helixtrans-91.9-4-179.7-65.2-178.2-177.7-171.4-2114.2D177 F178D177-R180 HydrophobicContact CB-CB 4.33Å; D177-R180 HydrophobicContact CB-CG 4.36Å; D177-R180 PolarHBondContact O-N 3.06Å; D177-R180 WeakPolarHBondContact OD2-CD 3.45Å; D177-R180 VanDerWaalsContact OD2-CG 3.31Å; D177-R180 WeakPolarHBondContact OD2-CG 3.22Å; D177-R180 IonicContact OD2-CZ 3.9Å; D177-R180 IonicContact OD2-NE 3.14Å; D177-R180 PolarHBondContact OD2-NE 2.79Å; D177-R180 VanDerWaalsContact OD2-NE 3.14Å; F178-R180 VanDerWaalsContact C-N 3.25Å; F178-R180 PolarHBondContact O-N 2.7Å
181L85.4Confident78.6Confident21 Ų2181.1 Ų81.111%0.1144%0.444CS..SBendtrans-83.9-13.3176.8-63.5-173.6000113.3F137 I176 D177 F178 L305 L312F137-L181 HydrophobicContact CD1-CD2 4.02Å; F137-L181 HydrophobicContact CD2-CD2 3.91Å; F137-L181 HydrophobicContact CE1-CB 3.88Å; F137-L181 HydrophobicContact CE1-CD1 4.4Å; F137-L181 HydrophobicContact CE1-CD2 3.9Å; F137-L181 HydrophobicContact CE1-CG 4.26Å; F137-L181 HydrophobicContact CE2-CD1 3.97Å; F137-L181 HydrophobicContact CE2-CD2 3.81Å; F137-L181 HydrophobicContact CE2-CG 4.4Å; F137-L181 HydrophobicContact CG-CD2 4.02Å; F137-L181 HydrophobicContact CZ-CB 4.04Å; F137-L181 HydrophobicContact CZ-CD1 3.72Å; F137-L181 HydrophobicContact CZ-CD2 3.82Å; F137-L181 HydrophobicContact CZ-CG 4.06Å; I176-L181 HydrophobicContact CG2-CD1 3.87Å; D177-L181 PolarHBondContact O-N 3.18Å; F178-L181 HydrophobicContact CD1-CD1 3.9Å; F178-L181 HydrophobicContact CE1-CD1 4.34Å; F178-L181 PolarHBondContact O-N 3.2Å; L181-L305 HydrophobicContact CD1-CD1 4.39Å; L181-L312 HydrophobicContact CB-CD1 4.34Å; L181-L312 WeakPolarHBondContact O-CD1 3.32Å
182A82.6Confident78.2Confident50 Ų5084 Ų8441%0.41347%0.465SS..SBendtrans-62.8150.3176.200000110.7Q184A182-Q184 PolarHBondContact O-N 3.12Å
183P80.9Confident77.7Confident54 Ų5482 Ų8235%0.35148%0.476SS..PPolyproline II helixtrans-60134.2175.91.87.6000109.6E131 F133E131-P183 VanDerWaalsContact O-CB 3.29Å; E131-P183 WeakPolarHBondContact O-CB 3.5Å; F133-P183 HydrophobicContact CD1-CB 4.09Å; F133-P183 HydrophobicContact CD1-CG 4.25Å; F133-P183 HydrophobicContact CE1-CB 3.83Å; F133-P183 HydrophobicContact CE1-CG 3.51Å; F133-P183 HydrophobicContact CZ-CB 4.47Å; F133-P183 HydrophobicContact CZ-CG 4.03Å
184Q74.7Confident77.3Confident89 Ų8985.9 Ų85.942%0.41648%0.484SS..PPolyproline II helixtrans-86.1116.4176.3-65.1-177.11100108.2G132 A182G132-Q184 PolarHBondContact O-N 3.48Å; A182-Q184 PolarHBondContact O-N 3.12Å
185T64.1Low77Confident135 Ų13587.9 Ų87.983%0.82850%0.497SS*.  trans-85.6-15.5176.5510000112.8
186D58.9Low76.7Confident133 Ų13385.3 Ų85.371%0.71148%0.479SS*.SBendtrans-92.9162-179.2-60.8-29.6000111.4V188D186-V188 PolarHBondContact O-N 3.31Å
187A56.7Low76.3Confident99 Ų9986.6 Ų86.682%0.81849%0.486SS*.  trans-52.7114.5175.600000110.1P189A187-P189 WeakPolarHBondContact O-CD 3.48Å; A187-P189 VanDerWaalsContact O-N 3.08Å
188V57.5Low76.3Confident59 Ų5986 Ų8636%0.35848%0.481SS..  trans-58.1116.1-178.8-177.30000107.6C128 D186 Q191C128-V188 WeakPolarHBondContact SG-CG2 3.33Å; D186-V188 PolarHBondContact O-N 3.31Å; V188-Q191 HydrophobicContact CG1-CG 4.32Å
189P59Low76.3Confident86 Ų8684.9 Ų84.956%0.55848%0.479SS*.  trans-59.6148.617823.1-31.1000109A187 Q191A187-P189 WeakPolarHBondContact O-CD 3.48Å; A187-P189 VanDerWaalsContact O-N 3.08Å; P189-Q191 PolarHBondContact O-N 3.46Å
190P63.4Low76.6Confident134 Ų13477.6 Ų77.687%0.8744%0.444SS*.  trans-52.4114.1179.73.9-10.1000109.9S192P190-S192 PolarHBondContact O-N 3.45Å
191Q70.6Confident77.1Confident46 Ų4668.4 Ų68.422%0.21541%0.409CS..  trans-74.9120.1-178.7-71.2-169.21.700109.2P126 D134 V188 P189 S196P126-Q191 HydrophobicContact CB-CB 3.97Å; D134-Q191 PolarHBondContact OD2-NE2 3.15Å; V188-Q191 HydrophobicContact CG1-CG 4.32Å; P189-Q191 PolarHBondContact O-N 3.46Å; Q191-S196 PolarHBondContact OE1-OG 3.28Å; Q191-S196 VanDerWaalsContact OE1-OG 3.06Å
192S81.6Confident77.6Confident64 Ų6469.1 Ų69.145%0.44841%0.414SS..  trans-63156.1167.5730000111.2P190 W194 S195 S196P190-S192 PolarHBondContact O-N 3.45Å; S192-W194 PolarHBondContact O-N 2.94Å; S192-S195 WeakPolarHBondContact CA-OG 3.36Å; S192-S195 PolarHBondContact N-OG 2.96Å; S192-S195 PolarHBondContact O-N 3.28Å; S192-S195 VanDerWaalsContact O-N 3.11Å; S192-S195 PolarHBondContact O-OG 2.65Å; S192-S195 PolarHBondContact OG-N 3.47Å; S192-S195 PolarHBondContact OG-OG 3.46Å; S192-S196 PolarHBondContact O-N 3.02Å; S192-S196 VanDerWaalsContact O-N 3.1Å; S192-S196 PolarHBondContact O-OG 2.96Å
193A79.3Confident78.2Confident86 Ų8666.8 Ų66.871%0.71139%0.394SS*.Hα-helixtrans-56.3-34.6172.900000112.2L197A193-L197 WeakPolarHBondContact O-CB 3.01Å; A193-L197 PolarHBondContact O-N 3Å
194W81.8Confident79Confident187 Ų18764.5 Ų64.571%0.70838%0.379SS*.Hα-helixtrans-65.1-45.1176-177-102.7000112.4S192 S196 L197 Q198S192-W194 PolarHBondContact O-N 2.94Å; W194-S196 PolarHBondContact O-N 3.41Å; W194-L197 HydrophobicContact CE3-CD2 4.47Å; W194-L197 HydrophobicContact CZ3-CD2 4.44Å; W194-L197 PolarHBondContact O-N 2.82Å; W194-Q198 PolarHBondContact O-N 3.12Å
195S85.3Confident80.1Confident44 Ų4460.3 Ų60.331%0.30836%0.359SS..Hα-helixtrans-63.9-40.6177.640.60000112.1S192 Q198 A199S192-S195 WeakPolarHBondContact CA-OG 3.36Å; S192-S195 PolarHBondContact N-OG 2.96Å; S192-S195 PolarHBondContact O-N 3.28Å; S192-S195 VanDerWaalsContact O-N 3.11Å; S192-S195 PolarHBondContact O-OG 2.65Å; S192-S195 PolarHBondContact OG-N 3.47Å; S192-S195 PolarHBondContact OG-OG 3.46Å; S195-Q198 PolarHBondContact O-N 2.73Å; S195-A199 WeakPolarHBondContact O-CB 3.13Å; S195-A199 PolarHBondContact O-N 3.5Å
196S86.6Confident81.7Confident4 Ų454 Ų543%0.02832%0.32CS..Hα-helixtrans-68.4-34.9176.7-59.30000112.2Q191 S192 W194 Y200Q191-S196 PolarHBondContact OE1-OG 3.28Å; Q191-S196 VanDerWaalsContact OE1-OG 3.06Å; S192-S196 PolarHBondContact O-N 3.02Å; S192-S196 VanDerWaalsContact O-N 3.1Å; S192-S196 PolarHBondContact O-OG 2.96Å; W194-S196 PolarHBondContact O-N 3.41Å; S196-Y200 WeakPolarHBondContact O-CB 3.48Å; S196-Y200 PolarHBondContact O-N 3.49Å
197L85.6Confident83.6Confident56 Ų5647.7 Ų47.729%0.29329%0.287SS..Hα-helixtrans-64.7-45.6171.1-18062.2000111.2L124 L170 A193 W194 A199 Y200 C201L124-L197 HydrophobicContact CD1-CD1 3.99Å; L170-L197 HydrophobicContact CD2-CD1 3.8Å; A193-L197 WeakPolarHBondContact O-CB 3.01Å; A193-L197 PolarHBondContact O-N 3Å; W194-L197 HydrophobicContact CE3-CD2 4.47Å; W194-L197 HydrophobicContact CZ3-CD2 4.44Å; W194-L197 PolarHBondContact O-N 2.82Å; L197-A199 PolarHBondContact O-N 3.21Å; L197-Y200 WeakPolarHBondContact O-CB 3.18Å; L197-Y200 PolarHBondContact O-N 2.76Å; L197-C201 PolarHBondContact O-N 3.31Å; L197-C201 PolarHBondContact O-SG 3.45Å
198Q89.9Confident85.6Confident50 Ų5043.2 Ų43.223%0.23425%0.249CC..Hα-helixtrans-61.9-44.6177.2-172.463.438.700111.3I173 W194 S195 Y200 C201 N202I173-Q198 PolarHBondContact O-NE2 2.85Å; W194-Q198 PolarHBondContact O-N 3.12Å; S195-Q198 PolarHBondContact O-N 2.73Å; Q198-Y200 VanDerWaalsContact C-N 3.29Å; Q198-Y200 PolarHBondContact O-N 3.07Å; Q198-C201 WeakPolarHBondContact O-CB 3.33Å; Q198-C201 PolarHBondContact O-N 2.92Å; Q198-C201 VanDerWaalsContact O-N 3.16Å; Q198-N202 PolarHBondContact NE2-OD1 2.95Å; Q198-N202 WeakPolarHBondContact O-CB 3.38Å; Q198-N202 PolarHBondContact O-N 3.03Å; Q198-N202 PolarHBondContact O-OD1 3.45Å
199A91.4Very high87.6Confident15 Ų1540.4 Ų40.412%0.12423%0.232CC..Hα-helixtrans-59.7-40.8175.600000111.6D134 A136 S195 L197 N202 S203D134-A199 WeakPolarHBondContact OD1-CB 3.07Å; A136-A199 HydrophobicContact CB-CB 4.33Å; S195-A199 WeakPolarHBondContact O-CB 3.13Å; S195-A199 PolarHBondContact O-N 3.5Å; L197-A199 PolarHBondContact O-N 3.21Å; A199-N202 PolarHBondContact O-N 3.02Å; A199-S203 WeakPolarHBondContact O-CB 3.24Å; A199-S203 PolarHBondContact O-N 3.29Å
200Y90.4Very high89.5Confident23 Ų2336.5 Ų36.59%0.0921%0.207CC..Hα-helixtrans-60.2-49.9171.5177.1-99.1000112.1V123 L124 A168 S196 L197 Q198 N202 S203 K204 L237V123-Y200 WeakPolarHBondContact O-CD2 3.5Å; L124-Y200 HydrophobicContact CB-CD2 3.88Å; L124-Y200 HydrophobicContact CB-CE2 4.4Å; L124-Y200 HydrophobicContact CB-CG 4.16Å; L124-Y200 HydrophobicContact CD1-CD1 3.97Å; L124-Y200 HydrophobicContact CD1-CD2 4.35Å; L124-Y200 HydrophobicContact CD1-CG 3.87Å; L124-Y200 HydrophobicContact CG-CD2 4.39Å; L124-Y200 HydrophobicContact CG-CG 4.15Å; A168-Y200 HydrophobicContact CB-CE1 4.3Å; S196-Y200 WeakPolarHBondContact O-CB 3.48Å; S196-Y200 PolarHBondContact O-N 3.49Å; L197-Y200 WeakPolarHBondContact O-CB 3.18Å; L197-Y200 PolarHBondContact O-N 2.76Å; Q198-Y200 VanDerWaalsContact C-N 3.29Å; Q198-Y200 PolarHBondContact O-N 3.07Å; Y200-N202 VanDerWaalsContact C-N 3.31Å; Y200-N202 PolarHBondContact O-N 3.14Å; Y200-S203 PolarHBondContact O-N 3.14Å; Y200-S203 PolarHBondContact O-OG 3.43Å; Y200-K204 HydrophobicContact CD1-CG 4.34Å; Y200-K204 HydrophobicContact CD2-CG 4.39Å; Y200-K204 HydrophobicContact CE1-CG 3.96Å; Y200-K204 HydrophobicContact CE2-CD 4.24Å; Y200-K204 HydrophobicContact CE2-CG 4.02Å; Y200-K204 WeakPolarHBondContact O-CG 3.41Å; Y200-K204 PolarHBondContact O-N 2.87Å; Y200-K204 WeakPolarHBondContact OH-CE 3.46Å; Y200-L237 HydrophobicContact CE2-CD2 4.32Å
201C92.5Very high91.2Very high1 Ų130.2 Ų30.21%0.00717%0.165CC..Hα-helixtrans-55.7-46.2176.5-62.70000111.8I173 L197 Q198 K204 L205I173-C201 HydrophobicContact CG1-CB 4.2Å; L197-C201 PolarHBondContact O-N 3.31Å; L197-C201 PolarHBondContact O-SG 3.45Å; Q198-C201 WeakPolarHBondContact O-CB 3.33Å; Q198-C201 PolarHBondContact O-N 2.92Å; Q198-C201 VanDerWaalsContact O-N 3.16Å; C201-K204 PolarHBondContact O-N 3.47Å; C201-L205 PolarHBondContact O-N 2.95Å
202N96.3Very high92.5Very high37 Ų3730 Ų3020%0.19816%0.162CC..Hα-helixtrans-61.7-45.3177.8-63.9-4.6000111G174 S175 Q198 A199 Y200 K204 L205 C206G174-N202 WeakPolarHBondContact CA-OD1 3.49Å; S175-N202 PolarHBondContact N-OD1 3.23Å; S175-N202 WeakPolarHBondContact O-CB 3.35Å; S175-N202 PolarHBondContact O-ND2 3.24Å; S175-N202 VanDerWaalsContact O-ND2 3.17Å; S175-N202 PolarHBondContact O-OD1 2.67Å; Q198-N202 PolarHBondContact NE2-OD1 2.95Å; Q198-N202 WeakPolarHBondContact O-CB 3.38Å; Q198-N202 PolarHBondContact O-N 3.03Å; Q198-N202 PolarHBondContact O-OD1 3.45Å; A199-N202 PolarHBondContact O-N 3.02Å; Y200-N202 VanDerWaalsContact C-N 3.31Å; Y200-N202 PolarHBondContact O-N 3.14Å; N202-K204 VanDerWaalsContact C-N 3.28Å; N202-K204 PolarHBondContact O-N 2.98Å; N202-L205 WeakPolarHBondContact O-CB 3.34Å; N202-L205 PolarHBondContact O-N 2.89Å; N202-C206 PolarHBondContact O-N 2.88Å; N202-C206 PolarHBondContact O-SG 2.84Å
203S96.4Very high93.3Very high1 Ų127.7 Ų27.71%0.00715%0.145CC..Hα-helixtrans-62.3-34.817779.50000112.4A136 N140 A199 Y200 C206 N207A136-S203 WeakPolarHBondContact O-CB 3.32Å; N140-S203 PolarHBondContact ND2-OG 3.36Å; A199-S203 WeakPolarHBondContact O-CB 3.24Å; A199-S203 PolarHBondContact O-N 3.29Å; Y200-S203 PolarHBondContact O-N 3.14Å; Y200-S203 PolarHBondContact O-OG 3.43Å; S203-C206 WeakPolarHBondContact O-CB 3.45Å; S203-C206 PolarHBondContact O-N 3.46Å; S203-N207 PolarHBondContact O-N 3.38Å; S203-N207 PolarHBondContact O-OD1 3.21Å
204K96.8Very high94.2Very high5 Ų523.6 Ų23.62%0.02211%0.111CC..Hα-helixtrans-75.6-29.3177.7-64.7-64.3175.3-169.70112.5V166 S167 A168 H171 Y200 C201 N202 V208V166-K204 PolarHBondContact O-NZ 3.01Å; V166-K204 VanDerWaalsContact O-NZ 3.1Å; S167-K204 PolarHBondContact OG-O 3.1Å; A168-K204 HydrophobicContact CB-CB 4.35Å; A168-K204 HydrophobicContact CB-CD 4.24Å; A168-K204 HydrophobicContact CB-CG 4Å; H171-K204 HydrophobicContact CB-CB 4.18Å; Y200-K204 HydrophobicContact CD1-CG 4.34Å; Y200-K204 HydrophobicContact CD2-CG 4.39Å; Y200-K204 HydrophobicContact CE1-CG 3.96Å; Y200-K204 HydrophobicContact CE2-CD 4.24Å; Y200-K204 HydrophobicContact CE2-CG 4.02Å; Y200-K204 WeakPolarHBondContact O-CG 3.41Å; Y200-K204 PolarHBondContact O-N 2.87Å; Y200-K204 WeakPolarHBondContact OH-CE 3.46Å; C201-K204 PolarHBondContact O-N 3.47Å; N202-K204 VanDerWaalsContact C-N 3.28Å; N202-K204 PolarHBondContact O-N 2.98Å; K204-V208 PolarHBondContact O-N 3.29Å
205L98.1Very high95Very high2 Ų215.2 Ų15.21%0.018%0.081CC..Hα-helixtrans-66.4-41.7165.217761.2000111.5H171 G174 I176 C201 N202 N207 V208 L209 N295H171-L205 HydrophobicContact CB-CB 4.37Å; G174-L205 VanDerWaalsContact O-CD2 3.28Å; G174-L205 WeakPolarHBondContact O-CD2 3.4Å; I176-L205 HydrophobicContact CD1-CD2 4.45Å; I176-L205 HydrophobicContact CD1-CG 4.47Å; I176-L205 HydrophobicContact CG1-CD2 4.13Å; C201-L205 PolarHBondContact O-N 2.95Å; N202-L205 WeakPolarHBondContact O-CB 3.34Å; N202-L205 PolarHBondContact O-N 2.89Å; L205-N207 VanDerWaalsContact C-N 3.28Å; L205-N207 PolarHBondContact O-N 2.93Å; L205-V208 WeakPolarHBondContact O-CB 3.32Å; L205-V208 PolarHBondContact O-N 2.91Å; L205-L209 HydrophobicContact CD1-CD1 4.13Å; L205-L209 HydrophobicContact CD1-CG 4.27Å; L205-L209 HydrophobicContact CG-CD1 3.91Å; L205-L209 PolarHBondContact O-N 3.33Å; L205-N295 HydrophobicContact CD1-CB 4.22Å; L205-N295 HydrophobicContact CD2-CB 3.97Å
206C98.5Very high95.6Very high1 Ų116.5 Ų16.51%0.0079%0.085CC..Hα-helixtrans-56.8-42175.5-63.30000111.6H141 N202 S203 V208 L209 F210 L305H141-C206 HydrophobicContact CB-CB 3.89Å; H141-C206 VanDerWaalsContact CG-CB 3.5Å; H141-C206 WeakPolarHBondContact ND1-CB 3.38Å; N202-C206 PolarHBondContact O-N 2.88Å; N202-C206 PolarHBondContact O-SG 2.84Å; S203-C206 WeakPolarHBondContact O-CB 3.45Å; S203-C206 PolarHBondContact O-N 3.46Å; C206-V208 VanDerWaalsContact C-N 3.31Å; C206-V208 PolarHBondContact O-N 3.26Å; C206-L209 PolarHBondContact O-N 3.17Å; C206-F210 WeakPolarHBondContact O-CB 3.29Å; C206-F210 PolarHBondContact O-N 3.2Å; C206-L305 HydrophobicContact CB-CD1 4.49Å; C206-L305 HydrophobicContact CB-CD2 3.79Å
207N98.7Very high96.2Very high1 Ų121 Ų211%0.00510%0.101CC..Hα-helixtrans-60.2-35.9175.7-74.29.2000113.8N140 T165 V166 S203 L205 T211N140-N207 PolarHBondContact O-ND2 3.48Å; N140-N207 PolarHBondContact O-OD1 3.12Å; T165-N207 HydrophobicContact CG2-CB 3.69Å; V166-N207 PolarHBondContact O-ND2 3.3Å; S203-N207 PolarHBondContact O-N 3.38Å; S203-N207 PolarHBondContact O-OD1 3.21Å; L205-N207 VanDerWaalsContact C-N 3.28Å; L205-N207 PolarHBondContact O-N 2.93Å; N207-T211 PolarHBondContact O-N 3.34Å; N207-T211 PolarHBondContact O-OG1 3.06Å
208V98.6Very high96.8Very high5 Ų518.5 Ų18.53%0.039%0.088CC..Hα-helixtrans-68.7-49.8176.9172.50000110.3H171 K204 L205 C206 T211 R212 T227 Y283 V292H171-V208 HydrophobicContact CB-CG2 4.19Å; K204-V208 PolarHBondContact O-N 3.29Å; L205-V208 WeakPolarHBondContact O-CB 3.32Å; L205-V208 PolarHBondContact O-N 2.91Å; C206-V208 VanDerWaalsContact C-N 3.31Å; C206-V208 PolarHBondContact O-N 3.26Å; V208-T211 PolarHBondContact O-N 3.33Å; V208-R212 PolarHBondContact O-N 2.77Å; V208-T227 HydrophobicContact CG1-CG2 4.45Å; V208-T227 HydrophobicContact CG2-CG2 4.33Å; V208-Y283 HydrophobicContact CG2-CD2 4Å; V208-Y283 HydrophobicContact CG2-CE2 4.12Å; V208-V292 HydrophobicContact CG1-CB 4.23Å; V208-V292 HydrophobicContact CG1-CG1 3.88Å; V208-V292 HydrophobicContact CG1-CG2 4.22Å
209L98.8Very high97.1Very high0 Ų024.2 Ų24.20%012%0.115CC..Hα-helixtrans-64.4-40.9179.6-72.1167.4000112.2I176 L205 C206 T211 R212 E213 N295 L301 A302 L305I176-L209 HydrophobicContact CD1-CD1 3.36Å; L205-L209 HydrophobicContact CD1-CD1 4.13Å; L205-L209 HydrophobicContact CD1-CG 4.27Å; L205-L209 HydrophobicContact CG-CD1 3.91Å; L205-L209 PolarHBondContact O-N 3.33Å; C206-L209 PolarHBondContact O-N 3.17Å; L209-T211 VanDerWaalsContact C-N 3.34Å; L209-T211 PolarHBondContact O-N 2.98Å; L209-R212 WeakPolarHBondContact O-CB 3.2Å; L209-R212 PolarHBondContact O-N 3.32Å; L209-E213 PolarHBondContact O-N 3.25Å; L209-N295 WeakPolarHBondContact CD2-O 3.49Å; L209-L301 HydrophobicContact CD1-CD2 3.73Å; L209-L301 HydrophobicContact CD1-CG 3.85Å; L209-L301 HydrophobicContact CD2-CB 4.47Å; L209-L301 HydrophobicContact CD2-CD2 4.4Å; L209-L301 HydrophobicContact CD2-CG 4.43Å; L209-A302 HydrophobicContact CB-CB 4.19Å; L209-A302 HydrophobicContact CD2-CB 3.78Å; L209-L305 HydrophobicContact CB-CD2 3.71Å; L209-L305 HydrophobicContact CD1-CD2 4.18Å
210F98.8Very high97.3Very high5 Ų527.6 Ų27.62%0.02215%0.152CC..Hα-helixtrans-55.1-50.2173.2168.7-119000111.4F145 T148 T165 C206 R212 E213 L214 W306F145-F210 AromaticContact CD2-CD2 3.5Å; F145-F210 HydrophobicContact CD2-CD2 3.5Å; F145-F210 VanDerWaalsContact CD2-CD2 3.5Å; F145-F210 AromaticContact CD2-CE2 3.49Å; F145-F210 HydrophobicContact CD2-CE2 3.49Å; F145-F210 VanDerWaalsContact CD2-CE2 3.49Å; F145-F210 HydrophobicContact CE2-CD2 4.03Å; F145-F210 HydrophobicContact CE2-CE2 4.02Å; F145-F210 HydrophobicContact CG-CE2 4.41Å; T148-F210 HydrophobicContact CG2-CZ 3.85Å; T165-F210 HydrophobicContact CG2-CD1 4.41Å; C206-F210 WeakPolarHBondContact O-CB 3.29Å; C206-F210 PolarHBondContact O-N 3.2Å; F210-R212 VanDerWaalsContact C-N 3.3Å; F210-R212 PolarHBondContact O-N 3.14Å; F210-E213 PolarHBondContact O-N 3Å; F210-L214 HydrophobicContact CE1-CD2 4.14Å; F210-L214 HydrophobicContact CE2-CB 4.37Å; F210-L214 HydrophobicContact CE2-CD2 4.4Å; F210-L214 HydrophobicContact CZ-CD2 3.82Å; F210-L214 WeakPolarHBondContact O-CB 3.4Å; F210-L214 PolarHBondContact O-N 3.09Å; F210-W306 HydrophobicContact CD2-CE3 4.16Å; F210-W306 AromaticContact CD2-CZ3 3.82Å; F210-W306 HydrophobicContact CD2-CZ3 3.82Å; F210-W306 HydrophobicContact CE2-CE3 4.38Å; F210-W306 HydrophobicContact CE2-CH2 4.18Å; F210-W306 AromaticContact CE2-CZ3 3.65Å; F210-W306 HydrophobicContact CE2-CZ3 3.65Å
211T98.8Very high97.6Very high1 Ų129 Ų291%0.00616%0.162CC..Hα-helixtrans-64.5-38.2-178.7-59.10000111.7N207 V208 L209 A215 C225 Y226 T227N207-T211 PolarHBondContact O-N 3.34Å; N207-T211 PolarHBondContact O-OG1 3.06Å; V208-T211 PolarHBondContact O-N 3.33Å; L209-T211 VanDerWaalsContact C-N 3.34Å; L209-T211 PolarHBondContact O-N 2.98Å; T211-A215 WeakPolarHBondContact O-CB 3.41Å; T211-A215 PolarHBondContact O-N 3.49Å; T211-C225 HydrophobicContact CG2-CB 4.05Å; T211-Y226 VanDerWaalsContact CG2-C 3.48Å; T211-T227 HydrophobicContact CG2-CG2 4.08Å; T211-T227 WeakPolarHBondContact OG1-CB 3.44Å
212R98.4Very high97.8Very high41 Ų4134.6 Ų34.616%0.15519%0.193CC..Hα-helixtrans-61.6-51.9176.1-178.7178.1-179.180.74.2111.3V208 L209 F210 A215 N216 R297 D299V208-R212 PolarHBondContact O-N 2.77Å; L209-R212 WeakPolarHBondContact O-CB 3.2Å; L209-R212 PolarHBondContact O-N 3.32Å; F210-R212 VanDerWaalsContact C-N 3.3Å; F210-R212 PolarHBondContact O-N 3.14Å; R212-A215 PolarHBondContact O-N 3.49Å; R212-N216 PolarHBondContact O-N 3.3Å; R212-N216 VanDerWaalsContact O-N 3.11Å; R212-R297 PolarHBondContact NE-O 3.23Å; R212-R297 PolarHBondContact NH2-O 3.32Å; R212-D299 IonicContact CZ-OD1 2.82Å; R212-D299 IonicContact CZ-OD2 3.59Å; R212-D299 IonicContact NE-OD1 2.65Å; R212-D299 PolarHBondContact NE-OD1 3.33Å; R212-D299 IonicContact NE-OD2 3.81Å; R212-D299 IonicContact NH2-OD1 3.89Å; R212-D299 PolarHBondContact NH2-OD1 2.83Å; R212-D299 IonicContact NH2-OD2 3.34Å; R212-D299 PolarHBondContact NH2-OD2 2.98Å
213E98.8Very high97.9Very high16 Ų1633 Ų338%0.07518%0.184CC..Hα-helixtrans-69.5-36-180-179.861.2-172.200112.4L209 F210 A215 N216 R217 A302 W306L209-E213 PolarHBondContact O-N 3.25Å; F210-E213 PolarHBondContact O-N 3Å; E213-A215 VanDerWaalsContact C-N 3.29Å; E213-A215 PolarHBondContact O-N 3.01Å; E213-N216 PolarHBondContact O-N 3.17Å; E213-N216 PolarHBondContact OE2-ND2 3Å; E213-R217 WeakPolarHBondContact O-CG 3.28Å; E213-R217 PolarHBondContact O-N 3.22Å; E213-R217 IonicContact OE1-CZ 3.88Å; E213-R217 IonicContact OE1-NE 3.16Å; E213-R217 PolarHBondContact OE1-NE 3.24Å; E213-R217 IonicContact OE1-NH2 2.82Å; E213-R217 PolarHBondContact OE1-NH2 2.93Å; E213-A302 HydrophobicContact CB-CB 4.02Å; E213-W306 HydrophobicContact CB-CE3 3.9Å; E213-W306 HydrophobicContact CG-CB 3.81Å; E213-W306 HydrophobicContact CG-CD2 3.81Å; E213-W306 HydrophobicContact CG-CE3 3.46Å; E213-W306 VanDerWaalsContact CG-CE3 3.46Å; E213-W306 HydrophobicContact CG-CG 3.98Å; E213-W306 HydrophobicContact CG-CZ3 4.31Å
214L98.8Very high98.1Very high0 Ų033.8 Ų33.80%019%0.189CC..Hα-helixtrans-58.6-43.7173.6-17763.5000110.9T148 L152 V163 F210 R217 L218 C225 W306T148-L214 HydrophobicContact CG2-CD1 4.45Å; T148-L214 HydrophobicContact CG2-CD2 3.85Å; L152-L214 HydrophobicContact CD1-CD1 4.32Å; V163-L214 HydrophobicContact CB-CD2 4.15Å; V163-L214 HydrophobicContact CG1-CD2 3.99Å; V163-L214 HydrophobicContact CG2-CD2 4.32Å; F210-L214 HydrophobicContact CE1-CD2 4.14Å; F210-L214 HydrophobicContact CE2-CB 4.37Å; F210-L214 HydrophobicContact CE2-CD2 4.4Å; F210-L214 HydrophobicContact CZ-CD2 3.82Å; F210-L214 WeakPolarHBondContact O-CB 3.4Å; F210-L214 PolarHBondContact O-N 3.09Å; L214-R217 PolarHBondContact O-N 2.96Å; L214-L218 HydrophobicContact CD1-CD1 3.74Å; L214-L218 HydrophobicContact CD1-CG 4.32Å; L214-L218 HydrophobicContact CD2-CD1 4.49Å; L214-L218 HydrophobicContact CG-CD1 3.74Å; L214-L218 WeakPolarHBondContact O-CB 3.47Å; L214-L218 WeakPolarHBondContact O-CD1 3.21Å; L214-L218 VanDerWaalsContact O-CG 3.25Å; L214-L218 WeakPolarHBondContact O-CG 3.36Å; L214-L218 PolarHBondContact O-N 3.49Å; L214-C225 HydrophobicContact CD2-CB 4.21Å; L214-C225 WeakPolarHBondContact CD2-SG 3.33Å; L214-C225 HydrophobicContact CG-CB 4.47Å; L214-C225 VanDerWaalsContact CG-SG 3.57Å; L214-W306 HydrophobicContact CB-CH2 4.41Å; L214-W306 HydrophobicContact CB-CZ3 3.87Å; L214-W306 HydrophobicContact CD1-CH2 3.69Å; L214-W306 HydrophobicContact CD1-CZ3 4.03Å
215A98.4Very high98.1Very high11 Ų1133.6 Ų33.69%0.09119%0.188CC..Hα-helixtrans-64.8-42.8176.700000112.2T211 R212 E213 R217 L218 E219 C225 G281T211-A215 WeakPolarHBondContact O-CB 3.41Å; T211-A215 PolarHBondContact O-N 3.49Å; R212-A215 PolarHBondContact O-N 3.49Å; E213-A215 VanDerWaalsContact C-N 3.29Å; E213-A215 PolarHBondContact O-N 3.01Å; A215-R217 VanDerWaalsContact C-N 3.28Å; A215-R217 PolarHBondContact O-N 3.31Å; A215-L218 CarbonylContact O-C 3.52Å; A215-L218 PolarHBondContact O-N 3.43Å; A215-L218 VanDerWaalsContact O-N 3.14Å; A215-E219 PolarHBondContact O-N 2.93Å; A215-E219 VanDerWaalsContact O-N 3.14Å; A215-C225 HydrophobicContact CB-CB 4.35Å; A215-G281 VanDerWaalsContact CB-N 3.34Å
216N98.2Very high98.2Very high72 Ų7233.5 Ų33.539%0.38519%0.187SC..Hα-helixtrans-57.8-42.7174.5-66.5-17.5000111.1R212 E213 L218 E219 D299R212-N216 PolarHBondContact O-N 3.3Å; R212-N216 VanDerWaalsContact O-N 3.11Å; E213-N216 PolarHBondContact O-N 3.17Å; E213-N216 PolarHBondContact OE2-ND2 3Å; N216-L218 VanDerWaalsContact C-N 3.27Å; N216-L218 PolarHBondContact O-N 3.07Å; N216-E219 WeakPolarHBondContact O-CB 3.48Å; N216-E219 PolarHBondContact O-N 3.06Å; N216-D299 PolarHBondContact ND2-OD1 3.01Å
217R98.3Very high98.2Very high97 Ų9733.5 Ų33.537%0.36619%0.187SC..Hα-helixtrans-73.8-14.7179.3-71.1177.2174.5-115.82.1114.6E213 L214 A215 W306 E310E213-R217 WeakPolarHBondContact O-CG 3.28Å; E213-R217 PolarHBondContact O-N 3.22Å; E213-R217 IonicContact OE1-CZ 3.88Å; E213-R217 IonicContact OE1-NE 3.16Å; E213-R217 PolarHBondContact OE1-NE 3.24Å; E213-R217 IonicContact OE1-NH2 2.82Å; E213-R217 PolarHBondContact OE1-NH2 2.93Å; L214-R217 PolarHBondContact O-N 2.96Å; A215-R217 VanDerWaalsContact C-N 3.28Å; A215-R217 PolarHBondContact O-N 3.31Å; R217-W306 VanDerWaalsContact NH1-NE1 3.15Å; R217-E310 IonicContact NH1-OE1 3.41Å
218L97.9Very high98.1Very high4 Ų433.4 Ų33.42%0.02119%0.187CC..THydrogen-bonded Turntrans-107.47.6179.4-69.9171.3000112.8L152 L214 A215 N216 G220 T221 V223 C225L152-L218 HydrophobicContact CD1-CD1 4.05Å; L152-L218 HydrophobicContact CD1-CD2 3.93Å; L152-L218 HydrophobicContact CD2-CD2 4.32Å; L152-L218 HydrophobicContact CG-CD2 4.35Å; L214-L218 HydrophobicContact CD1-CD1 3.74Å; L214-L218 HydrophobicContact CD1-CG 4.32Å; L214-L218 HydrophobicContact CD2-CD1 4.49Å; L214-L218 HydrophobicContact CG-CD1 3.74Å; L214-L218 WeakPolarHBondContact O-CB 3.47Å; L214-L218 WeakPolarHBondContact O-CD1 3.21Å; L214-L218 VanDerWaalsContact O-CG 3.25Å; L214-L218 WeakPolarHBondContact O-CG 3.36Å; L214-L218 PolarHBondContact O-N 3.49Å; A215-L218 CarbonylContact O-C 3.52Å; A215-L218 PolarHBondContact O-N 3.43Å; A215-L218 VanDerWaalsContact O-N 3.14Å; N216-L218 VanDerWaalsContact C-N 3.27Å; N216-L218 PolarHBondContact O-N 3.07Å; L218-G220 PolarHBondContact O-N 3.43Å; L218-T221 HydrophobicContact CD2-CG2 4.34Å; L218-T221 WeakPolarHBondContact O-CB 3.45Å; L218-T221 PolarHBondContact O-N 3.28Å; L218-T221 PolarHBondContact O-OG1 2.81Å; L218-V223 HydrophobicContact CD1-CB 4.01Å; L218-V223 HydrophobicContact CD1-CG1 3.8Å; L218-V223 HydrophobicContact CD2-CB 4.37Å; L218-C225 VanDerWaalsContact CD1-SG 3.57Å
219E96.8Very high97.6Very high170 Ų17034.1 Ų34.179%0.79419%0.19SC*.THydrogen-bonded Turntrans-53.8132.9171.3-171.4171.5-157.600110.3A215 N216 T221A215-E219 PolarHBondContact O-N 2.93Å; A215-E219 VanDerWaalsContact O-N 3.14Å; N216-E219 WeakPolarHBondContact O-CB 3.48Å; N216-E219 PolarHBondContact O-N 3.06Å; E219-T221 VanDerWaalsContact C-N 3.31Å; E219-T221 PolarHBondContact O-N 3.34Å
220G95.6Very high97Very high87 Ų8734.8 Ų34.890%0.89719%0.194SC*.THydrogen-bonded Turntrans80.52.2-174.700000115.5L218L218-G220 PolarHBondContact O-N 3.43Å
221T97.3Very high95.7Very high51 Ų5135.1 Ų35.131%0.31320%0.2SC..SBendtrans-106.6162.8171.476.60000111.8L218 E219 V223L218-T221 HydrophobicContact CD2-CG2 4.34Å; L218-T221 WeakPolarHBondContact O-CB 3.45Å; L218-T221 PolarHBondContact O-N 3.28Å; L218-T221 PolarHBondContact O-OG1 2.81Å; E219-T221 VanDerWaalsContact C-N 3.31Å; E219-T221 PolarHBondContact O-N 3.34Å; T221-V223 PolarHBondContact O-N 3.36Å; T221-V223 PolarHBondContact OG1-N 3.43Å
222D96.6Very high94Very high120 Ų12039.3 Ų39.364%0.64223%0.225SC*.SBendtrans-83.922.2175.2-64.6-34.5000113.4P160 S161P160-D222 WeakPolarHBondContact CA-O 3.31Å; S161-D222 PolarHBondContact N-O 2.89Å
223V98.6Very high92.2Very high3 Ų338 Ų382%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-106.4116.4177.1-172.30000109.4L155 R156 S161 V163 L218 T221L155-V223 HydrophobicContact CB-CG1 4.37Å; L155-V223 HydrophobicContact CB-CG2 4.28Å; R156-V223 HydrophobicContact CB-CG2 4.37Å; R156-V223 HydrophobicContact CG-CG2 3.81Å; S161-V223 WeakPolarHBondContact O-CA 3.44Å; V163-V223 HydrophobicContact CG2-CG1 4.31Å; L218-V223 HydrophobicContact CD1-CB 4.01Å; L218-V223 HydrophobicContact CD1-CG1 3.8Å; L218-V223 HydrophobicContact CD2-CB 4.37Å; T221-V223 PolarHBondContact O-N 3.36Å; T221-V223 PolarHBondContact OG1-N 3.43Å
224T98.7Very high89.9Confident18 Ų1841.3 Ų41.311%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-104150.7177.357.40000111.6S161 R162 V163 Y226 E277S161-T224 PolarHBondContact O-N 3.05Å; R162-T224 CarbonylContact C-O 3.57Å; R162-T224 VanDerWaalsContact CA-O 3.32Å; R162-T224 WeakPolarHBondContact CA-O 3.48Å; V163-T224 PolarHBondContact N-O 2.83Å; T224-Y226 VanDerWaalsContact CB-OH 3.31Å; T224-Y226 WeakPolarHBondContact CB-OH 3.37Å; T224-Y226 WeakPolarHBondContact OG1-CE2 3.15Å; T224-Y226 PolarHBondContact OG1-OH 3.48Å; T224-E277 HydrophobicContact CG2-CB 4.02Å; T224-E277 HydrophobicContact CG2-CG 4.06Å
225C98.6Very high87.6Confident0 Ų042.5 Ų42.50%024%0.241CC..EExtended strand (participates in β ladder)trans-132.5133.2-172.7-60.60000110.9V163 T211 L214 A215 L218 S280 G281V163-C225 CarbonylContact O-C 3.59Å; V163-C225 VanDerWaalsContact O-CA 3.28Å; V163-C225 WeakPolarHBondContact O-CA 3.36Å; T211-C225 HydrophobicContact CG2-CB 4.05Å; L214-C225 HydrophobicContact CD2-CB 4.21Å; L214-C225 WeakPolarHBondContact CD2-SG 3.33Å; L214-C225 HydrophobicContact CG-CB 4.47Å; L214-C225 VanDerWaalsContact CG-SG 3.57Å; A215-C225 HydrophobicContact CB-CB 4.35Å; L218-C225 VanDerWaalsContact CD1-SG 3.57Å; C225-S280 PolarHBondContact N-OG 3.21Å; C225-S280 CarbonylContact O-C 3.58Å; C225-S280 WeakPolarHBondContact O-CA 3.42Å; C225-G281 PolarHBondContact O-N 3.06Å
226Y98.8Very high85.3Confident0 Ų046.8 Ų46.80%026%0.259CS..EExtended strand (participates in β ladder)trans-136.3144.7-179.7-49.8-71.5000110.9V163 I164 T165 T211 T224 C270 I276 E277 F284V163-Y226 PolarHBondContact O-N 3.16Å; I164-Y226 CarbonylContact C-O 3.55Å; I164-Y226 WeakPolarHBondContact CA-O 3.43Å; T165-Y226 PolarHBondContact N-O 3.08Å; T211-Y226 VanDerWaalsContact CG2-C 3.48Å; T224-Y226 VanDerWaalsContact CB-OH 3.31Å; T224-Y226 WeakPolarHBondContact CB-OH 3.37Å; T224-Y226 WeakPolarHBondContact OG1-CE2 3.15Å; T224-Y226 PolarHBondContact OG1-OH 3.48Å; Y226-C270 HydrophobicContact CD2-CB 4.15Å; Y226-C270 HydrophobicContact CG-CB 4.26Å; Y226-I276 HydrophobicContact CD1-CD1 4.49Å; Y226-I276 HydrophobicContact CD2-CD1 4.34Å; Y226-I276 HydrophobicContact CE1-CD1 4.06Å; Y226-I276 HydrophobicContact CE1-CG1 4.2Å; Y226-I276 WeakPolarHBondContact CE1-O 3.22Å; Y226-I276 HydrophobicContact CE2-CD1 3.93Å; Y226-I276 HydrophobicContact CE2-CG1 4.33Å; Y226-I276 PolarHBondContact OH-O 3.29Å; Y226-I276 VanDerWaalsContact OH-O 3.11Å; Y226-E277 VanDerWaalsContact OH-CA 3.28Å; Y226-E277 WeakPolarHBondContact OH-CA 3.4Å; Y226-E277 PolarHBondContact OH-N 3.23Å; Y226-F284 HydrophobicContact CD1-CD2 4.39Å; Y226-F284 AromaticContact CD1-CE2 3.66Å; Y226-F284 HydrophobicContact CD1-CE2 3.66Å; Y226-F284 HydrophobicContact CD1-CZ 4.35Å; Y226-F284 HydrophobicContact CE1-CE2 4.37Å; Y226-F284 HydrophobicContact CG-CE2 4.37Å
227T98.3Very high83Confident1 Ų145.7 Ų45.71%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-117.6154.1170.7-176.90000109T165 V208 T211 R282 Y283 F284T165-T227 VanDerWaalsContact O-CA 3.26Å; T165-T227 WeakPolarHBondContact O-CA 3.37Å; T165-T227 PolarHBondContact O-OG1 3.46Å; V208-T227 HydrophobicContact CG1-CG2 4.45Å; V208-T227 HydrophobicContact CG2-CG2 4.33Å; T211-T227 HydrophobicContact CG2-CG2 4.08Å; T211-T227 WeakPolarHBondContact OG1-CB 3.44Å; T227-R282 PolarHBondContact N-O 3.36Å; T227-R282 VanDerWaalsContact N-O 3.08Å; T227-Y283 HydrophobicContact CG2-CD2 3.66Å; T227-Y283 HydrophobicContact CG2-CG 4.25Å; T227-Y283 CarbonylContact O-C 3.58Å; T227-Y283 VanDerWaalsContact O-CA 3.24Å; T227-Y283 WeakPolarHBondContact O-CA 3.31Å; T227-F284 PolarHBondContact O-N 3.39Å
228L97.2Very high80.8Confident0 Ų044.2 Ų44.20%026%0.257CS..EExtended strand (participates in β ladder)trans-151.9161.4-175.464.192.5000113.6I164 T165 V166 S167 P230 T266 T267 C270 F284I164-L228 HydrophobicContact CG2-CD2 3.46Å; I164-L228 VanDerWaalsContact CG2-CD2 3.46Å; I164-L228 HydrophobicContact CG2-CG 4.49Å; T165-L228 PolarHBondContact O-N 3.14Å; V166-L228 HydrophobicContact CG1-CD1 4.36Å; V166-L228 HydrophobicContact CG2-CD1 4.32Å; S167-L228 CarbonylContact C-O 3.59Å; S167-L228 VanDerWaalsContact CA-O 3.3Å; S167-L228 WeakPolarHBondContact CA-O 3.42Å; S167-L228 WeakPolarHBondContact CB-O 3.38Å; S167-L228 PolarHBondContact N-O 2.89Å; L228-P230 HydrophobicContact CD1-CB 4.01Å; L228-T266 HydrophobicContact CB-CG2 3.75Å; L228-T266 HydrophobicContact CD1-CG2 4.32Å; L228-T266 HydrophobicContact CD2-CG2 4.26Å; L228-T266 HydrophobicContact CG-CG2 4.34Å; L228-T267 VanDerWaalsContact CD2-CA 3.47Å; L228-C270 HydrophobicContact CD2-CB 4.19Å; L228-F284 CarbonylContact C-O 3.48Å; L228-F284 WeakPolarHBondContact CA-O 3.43Å; L228-F284 HydrophobicContact CB-CB 4.25Å; L228-F284 VanDerWaalsContact CB-O 3.31Å; L228-F284 WeakPolarHBondContact CB-O 3.36Å
229H89.3Confident78.8Confident20 Ų2050.3 Ų50.39%0.09328%0.279CS..EExtended strand (participates in β ladder)trans-104.6125.9157.2167.562.3000109.7L169 G231 Y283 F284 S285L169-H229 PolarHBondContact N-ND1 3.49Å; H229-G231 PolarHBondContact CD2-N 3.08Å; H229-G231 PolarHBondContact CE1-O 2.82Å; H229-G231 VanDerWaalsContact NE2-CA 3.26Å; H229-G231 WeakPolarHBondContact NE2-CA 3.41Å; H229-G231 PolarHBondContact NE2-N 3.06Å; H229-G231 PolarHBondContact O-N 3.32Å; H229-Y283 HydrophobicContact CB-CE1 4.44Å; H229-Y283 WeakPolarHBondContact CB-OH 3.47Å; H229-F284 PolarHBondContact N-O 2.96Å; H229-S285 PolarHBondContact CD2-OG 3.44Å; H229-S285 PolarHBondContact O-OG 3Å
230P84.1Confident76.6Confident13 Ų1347.6 Ų47.68%0.08427%0.27CS..  trans-74.5-9.4-175.332.8-37.8000112.5I46 V166 L228 I233 G263I46-P230 HydrophobicContact CD1-CB 4.12Å; I46-P230 HydrophobicContact CD1-CG 3.98Å; V166-P230 HydrophobicContact CG1-CG 4.02Å; L228-P230 HydrophobicContact CD1-CB 4.01Å; P230-I233 HydrophobicContact CB-CD1 3.46Å; P230-I233 VanDerWaalsContact CB-CD1 3.46Å; P230-I233 HydrophobicContact CG-CD1 3.69Å; P230-I233 WeakPolarHBondContact O-CD1 3.48Å; P230-G263 VanDerWaalsContact CB-O 3.23Å; P230-G263 WeakPolarHBondContact CB-O 3.38Å
231G72.3Confident74.8Confident13 Ų1346.8 Ų46.813%0.13425%0.245CC..  trans108.7172.3-171.300000111.5H229 I233H229-G231 PolarHBondContact CD2-N 3.08Å; H229-G231 PolarHBondContact CE1-O 2.82Å; H229-G231 VanDerWaalsContact NE2-CA 3.26Å; H229-G231 WeakPolarHBondContact NE2-CA 3.41Å; H229-G231 PolarHBondContact NE2-N 3.06Å; H229-G231 PolarHBondContact O-N 3.32Å; G231-I233 PolarHBondContact O-N 3.42Å
232V63.6Low72.8Confident89 Ų8946.7 Ų46.754%0.53925%0.246SC..SBendtrans-80.498.4174.9-172.80000106.2L257 L258V232-L257 HydrophobicContact CB-CD2 4.2Å; V232-L257 HydrophobicContact CG1-CD2 3.27Å; V232-L257 HydrophobicContact CG1-CG 4.49Å; V232-L257 CarbonylContact O-C 3.54Å; V232-L257 WeakPolarHBondContact O-CA 3.44Å; V232-L258 PolarHBondContact O-N 3.07Å
233I60Low70.8Confident14 Ų1448.5 Ų48.57%0.07225%0.251CS..BIsolated β-bridgetrans-116.8143.2-169-61.1147.3000110I46 P230 G231 T235 L258I46-I233 HydrophobicContact CD1-CB 4.26Å; I46-I233 HydrophobicContact CD1-CD1 3.3Å; I46-I233 HydrophobicContact CD1-CG1 4.38Å; I46-I233 HydrophobicContact CD1-CG2 4.12Å; I46-I233 HydrophobicContact CG1-CD1 3.84Å; I46-I233 HydrophobicContact CG1-CG2 3.97Å; P230-I233 HydrophobicContact CB-CD1 3.46Å; P230-I233 VanDerWaalsContact CB-CD1 3.46Å; P230-I233 HydrophobicContact CG-CD1 3.69Å; P230-I233 WeakPolarHBondContact O-CD1 3.48Å; G231-I233 PolarHBondContact O-N 3.42Å; I233-T235 HydrophobicContact CB-CG2 3.97Å; I233-T235 HydrophobicContact CG2-CG2 3.66Å; I233-T235 PolarHBondContact O-N 2.99Å; I233-L258 HydrophobicContact CB-CB 4.45Å; I233-L258 HydrophobicContact CG1-CB 3.74Å; I233-L258 HydrophobicContact CG1-CD1 4.2Å; I233-L258 WeakPolarHBondContact CG2-O 3.44Å
234Y51Low68.6Low84 Ų8456.6 Ų56.633%0.32928%0.281SS..  trans-72.398.6171.9-173.6-93.4000107.5M250 K254 L257 L258Y234-M250 WeakPolarHBondContact OH-CE 3.39Å; Y234-K254 HydrophobicContact CD2-CG 4.49Å; Y234-L257 HydrophobicContact CD2-CD1 3.61Å; Y234-L257 HydrophobicContact CG-CD1 4.22Å; Y234-L258 PolarHBondContact N-O 2.99Å; Y234-L258 VanDerWaalsContact N-O 3.13Å
235T50Low66.6Low26 Ų2658 Ų5816%0.1629%0.288CS..  trans-117.5152.8-178.951.90000109.9I46 I233 L237 C238I46-T235 HydrophobicContact CD1-CG2 3.63Å; I46-T235 HydrophobicContact CG1-CG2 4.07Å; I233-T235 HydrophobicContact CB-CG2 3.97Å; I233-T235 HydrophobicContact CG2-CG2 3.66Å; I233-T235 PolarHBondContact O-N 2.99Å; T235-L237 PolarHBondContact O-N 2.9Å; T235-L237 WeakPolarHBondContact OG1-CB 3.49Å; T235-L237 WeakPolarHBondContact OG1-CD1 3.28Å; T235-C238 PolarHBondContact O-N 2.88Å
236E50.5Low64.6Low100 Ų10060.3 Ų60.347%0.46730%0.299SS..G310 helixtrans-58.2-0.5169.4-73.1-84.6144.900113.9C238 R239E236-C238 PolarHBondContact O-N 3.32Å; E236-R239 VanDerWaalsContact O-CB 3.31Å; E236-R239 WeakPolarHBondContact O-CB 3.45Å; E236-R239 WeakPolarHBondContact O-CG 2.98Å; E236-R239 PolarHBondContact O-N 2.65Å; E236-R239 PolarHBondContact O-NE 3.41Å; E236-R239 IonicContact OE2-CZ 2.79Å; E236-R239 IonicContact OE2-NE 2.74Å; E236-R239 IonicContact OE2-NH1 3.53Å; E236-R239 IonicContact OE2-NH2 3.28Å
237L50.8Low62.7Low49 Ų4966.5 Ų66.526%0.25733%0.331SS..G310 helixtrans-61.4-27.9172.3-81.9151.1000111.7L124 Y200 T235 R239L124-L237 HydrophobicContact CB-CD2 3.99Å; Y200-L237 HydrophobicContact CE2-CD2 4.32Å; T235-L237 PolarHBondContact O-N 2.9Å; T235-L237 WeakPolarHBondContact OG1-CB 3.49Å; T235-L237 WeakPolarHBondContact OG1-CD1 3.28Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 3.34Å
238C51.2Low60.6Low67 Ų6772.5 Ų72.545%0.45336%0.362SS..G310 helixtrans-82.50.3177.5-63.70000114.3T235 E236 N240 L241 Q246T235-C238 PolarHBondContact O-N 2.88Å; E236-C238 PolarHBondContact O-N 3.32Å; C238-N240 PolarHBondContact O-N 3.17Å; C238-N240 VanDerWaalsContact O-N 3.09Å; C238-L241 HydrophobicContact CB-CD1 3.93Å; C238-L241 HydrophobicContact CB-CG 4.46Å; C238-L241 WeakPolarHBondContact O-CB 2.84Å; C238-L241 WeakPolarHBondContact O-CG 3.28Å; C238-L241 PolarHBondContact O-N 3.47Å; C238-Q246 PolarHBondContact O-NE2 2.86Å
239R56.3Low58.4Low132 Ų13277.3 Ų77.350%0.49839%0.386SS..G310 helixtrans-60.8-24.3-17380.6-179.282.7-173.911.9114.4E236 L237 Q246E236-R239 VanDerWaalsContact O-CB 3.31Å; E236-R239 WeakPolarHBondContact O-CB 3.45Å; E236-R239 WeakPolarHBondContact O-CG 2.98Å; E236-R239 PolarHBondContact O-N 2.65Å; E236-R239 PolarHBondContact O-NE 3.41Å; E236-R239 IonicContact OE2-CZ 2.79Å; E236-R239 IonicContact OE2-NE 2.74Å; E236-R239 IonicContact OE2-NH1 3.53Å; E236-R239 IonicContact OE2-NH2 3.28Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 3.34Å; R239-Q246 PolarHBondContact O-NE2 3.41Å
240N49.6Very low56.6Low112 Ų11279.3 Ų79.360%0.59940%0.396SS*.G310 helixtrans-91.1-0.5-177.7-66.1-22000112.9C238C238-N240 PolarHBondContact O-N 3.17Å; C238-N240 VanDerWaalsContact O-N 3.09Å
241L57.6Low54.9Low71 Ų7183.2 Ų83.237%0.37242%0.422SS..SBendtrans-69.6153.4170.9-63.3178.5000109.9C238 L245 Q246C238-L241 HydrophobicContact CB-CD1 3.93Å; C238-L241 HydrophobicContact CB-CG 4.46Å; C238-L241 WeakPolarHBondContact O-CB 2.84Å; C238-L241 WeakPolarHBondContact O-CG 3.28Å; C238-L241 PolarHBondContact O-N 3.47Å; L241-L245 HydrophobicContact CB-CD2 4.47Å; L241-L245 HydrophobicContact CD1-CD2 4.36Å; L241-L245 HydrophobicContact CD2-CD2 4.33Å; L241-Q246 HydrophobicContact CB-CG 4.05Å; L241-Q246 PolarHBondContact O-NE2 2.75Å
242S55Low53.5Low48 Ų4887.8 Ų87.834%0.33644%0.442SS..  trans-58.2143.4176.756.70000111.6W244 L245 Q246S242-W244 VanDerWaalsContact CB-CD1 3.44Å; S242-W244 VanDerWaalsContact CB-NE1 3.33Å; S242-W244 PolarHBondContact O-N 3.11Å; S242-W244 VanDerWaalsContact O-N 3.15Å; S242-W244 VanDerWaalsContact OG-CD1 3.27Å; S242-W244 PolarHBondContact OG-NE1 2.88Å; S242-L245 PolarHBondContact O-N 3.42Å; S242-L245 WeakPolarHBondContact OG-CB 3.44Å; S242-Q246 PolarHBondContact O-N 2.68Å
243Q54.8Low52.5Low158 Ų15884.5 Ų84.574%0.73843%0.425SS*.Hα-helixtrans-54.8-36.9-177-74.8170.7-12.400112.7Q246 L247Q243-Q246 PolarHBondContact O-N 3.07Å; Q243-L247 WeakPolarHBondContact O-CB 3.45Å; Q243-L247 WeakPolarHBondContact O-CD1 3.21Å; Q243-L247 PolarHBondContact O-N 3.42Å
244W53.9Low51.8Low174 Ų17490.3 Ų90.366%0.65945%0.449SS*.Hα-helixtrans-65.8-39.1177.569.2-98.5000112.7S242 L247 L248S242-W244 VanDerWaalsContact CB-CD1 3.44Å; S242-W244 VanDerWaalsContact CB-NE1 3.33Å; S242-W244 PolarHBondContact O-N 3.11Å; S242-W244 VanDerWaalsContact O-N 3.15Å; S242-W244 VanDerWaalsContact OG-CD1 3.27Å; S242-W244 PolarHBondContact OG-NE1 2.88Å; W244-L247 PolarHBondContact O-N 3.19Å; W244-L248 WeakPolarHBondContact O-CB 3.13Å; W244-L248 PolarHBondContact O-N 2.95Å
245L56.8Low51.2Low47 Ų4789.2 Ų89.225%0.24645%0.449CS..Hα-helixtrans-73.1-36.4178.2-170.166.9000110.4L241 S242 M249L241-L245 HydrophobicContact CB-CD2 4.47Å; L241-L245 HydrophobicContact CD1-CD2 4.36Å; L241-L245 HydrophobicContact CD2-CD2 4.33Å; S242-L245 PolarHBondContact O-N 3.42Å; S242-L245 WeakPolarHBondContact OG-CB 3.44Å; L245-M249 HydrophobicContact CD1-CG 4.21Å; L245-M249 HydrophobicContact CD1-SD 4.1Å; L245-M249 HydrophobicContact CG-CG 4.4Å; L245-M249 HydrophobicContact CG-SD 4.13Å; L245-M249 VanDerWaalsContact O-CB 3.28Å; L245-M249 WeakPolarHBondContact O-CB 3.09Å; L245-M249 VanDerWaalsContact O-CG 3.31Å; L245-M249 WeakPolarHBondContact O-CG 3.29Å; L245-M249 PolarHBondContact O-N 2.96Å
246Q56.6Low50.7Low49 Ų4993.1 Ų93.123%0.22946%0.464CS..Hα-helixtrans-60.4-47.8171-65.3-175.622.600111.3C238 R239 L241 S242 Q243 M249 M250C238-Q246 PolarHBondContact O-NE2 2.86Å; R239-Q246 PolarHBondContact O-NE2 3.41Å; L241-Q246 HydrophobicContact CB-CG 4.05Å; L241-Q246 PolarHBondContact O-NE2 2.75Å; S242-Q246 PolarHBondContact O-N 2.68Å; Q243-Q246 PolarHBondContact O-N 3.07Å; Q246-M249 PolarHBondContact O-N 3.17Å; Q246-M250 WeakPolarHBondContact O-CA 3.49Å; Q246-M250 WeakPolarHBondContact O-CB 3.24Å; Q246-M250 WeakPolarHBondContact O-CG 3.44Å; Q246-M250 PolarHBondContact O-N 2.9Å
247L57.5Low50.7Low129 Ų12990.3 Ų90.368%0.67545%0.452SS*.Hα-helixtrans-62.9-42179-91146.5000113Q243 W244 P251Q243-L247 WeakPolarHBondContact O-CB 3.45Å; Q243-L247 WeakPolarHBondContact O-CD1 3.21Å; Q243-L247 PolarHBondContact O-N 3.42Å; W244-L247 PolarHBondContact O-N 3.19Å; L247-P251 WeakPolarHBondContact O-CD 3.46Å
248L55.6Low50.8Low128 Ų12889.6 Ų89.667%0.6745%0.448SS*.Hα-helixtrans-68.5-42.9178.2-172.280.5000111.9W244W244-L248 WeakPolarHBondContact O-CB 3.13Å; W244-L248 PolarHBondContact O-N 2.95Å
249M50.8Low51.6Low101 Ų10190.5 Ų90.550%0.49845%0.448SS..Hα-helixtrans-82.8-29.5-175.9-66.3-164.874.600112.8L245 Q246 P251 L252 A253L245-M249 HydrophobicContact CD1-CG 4.21Å; L245-M249 HydrophobicContact CD1-SD 4.1Å; L245-M249 HydrophobicContact CG-CG 4.4Å; L245-M249 HydrophobicContact CG-SD 4.13Å; L245-M249 VanDerWaalsContact O-CB 3.28Å; L245-M249 WeakPolarHBondContact O-CB 3.09Å; L245-M249 VanDerWaalsContact O-CG 3.31Å; L245-M249 WeakPolarHBondContact O-CG 3.29Å; L245-M249 PolarHBondContact O-N 2.96Å; Q246-M249 PolarHBondContact O-N 3.17Å; M249-P251 VanDerWaalsContact C-CD 3.49Å; M249-L252 PolarHBondContact O-N 3.08Å; M249-A253 WeakPolarHBondContact O-CA 3.37Å; M249-A253 WeakPolarHBondContact O-CB 3.38Å; M249-A253 PolarHBondContact O-N 2.8Å
250M50.2Low52.1Low62 Ų6286.3 Ų86.331%0.30544%0.438SS..Hα-helixtrans-51.3-45.1-171.3-100.7-175.8-178.700116Y234 Q246 K254Y234-M250 WeakPolarHBondContact OH-CE 3.39Å; Q246-M250 WeakPolarHBondContact O-CA 3.49Å; Q246-M250 WeakPolarHBondContact O-CB 3.24Å; Q246-M250 WeakPolarHBondContact O-CG 3.44Å; Q246-M250 PolarHBondContact O-N 2.9Å; M250-K254 WeakPolarHBondContact O-CB 3.48Å; M250-K254 WeakPolarHBondContact O-CG 3.35Å; M250-K254 PolarHBondContact O-N 3.45Å
251P48.8Very low53.3Low95 Ų9583.3 Ų83.362%0.61743%0.426SS*.Hα-helixtrans-68.7-41.1-178.2-16.829.9000112L247 M249 L255L247-P251 WeakPolarHBondContact O-CD 3.46Å; M249-P251 VanDerWaalsContact C-CD 3.49Å; P251-L255 PolarHBondContact O-N 3.35Å
252L42.4Very low54.3Low109 Ų10980.6 Ų80.657%0.57142%0.415SS*.Hα-helixtrans-76.4-39.2-179.8-159.269.8000110.9M249 L255 F256M249-L252 PolarHBondContact O-N 3.08Å; L252-L255 WeakPolarHBondContact O-CA 3.46Å; L252-L255 WeakPolarHBondContact O-CB 3.29Å; L252-L255 PolarHBondContact O-N 3.16Å; L252-L255 VanDerWaalsContact O-N 3.07Å; L252-F256 HydrophobicContact CD1-CE2 3.85Å; L252-F256 HydrophobicContact CG-CD2 4.16Å; L252-F256 HydrophobicContact CG-CE2 3.84Å; L252-F256 WeakPolarHBondContact O-CD2 3.36Å; L252-F256 PolarHBondContact O-N 3Å
253A43.7Very low55.6Low20 Ų2078.3 Ų78.317%0.16540%0.399CS..Hα-helixtrans-60.6-48175.600000110.8M249 L255 F256 L257M249-A253 WeakPolarHBondContact O-CA 3.37Å; M249-A253 WeakPolarHBondContact O-CB 3.38Å; M249-A253 PolarHBondContact O-N 2.8Å; A253-L255 PolarHBondContact O-N 3.29Å; A253-L255 VanDerWaalsContact O-N 3.12Å; A253-F256 PolarHBondContact O-N 3.43Å; A253-F256 VanDerWaalsContact O-N 3.12Å; A253-L257 HydrophobicContact CB-CD1 3.52Å; A253-L257 HydrophobicContact CB-CG 4.47Å; A253-L257 WeakPolarHBondContact O-CB 3.4Å; A253-L257 VanDerWaalsContact O-CD1 3.24Å; A253-L257 WeakPolarHBondContact O-CD1 3.47Å; A253-L257 WeakPolarHBondContact O-CG 3.45Å; A253-L257 PolarHBondContact O-N 3.39Å
254K44.7Very low57.4Low136 Ų13670.8 Ų70.859%0.59136%0.364SS*.Hα-helixtrans-61.8-18.5174.4-75.8-179178.9-1790114.1Y234 M250Y234-K254 HydrophobicContact CD2-CG 4.49Å; M250-K254 WeakPolarHBondContact O-CB 3.48Å; M250-K254 WeakPolarHBondContact O-CG 3.35Å; M250-K254 PolarHBondContact O-N 3.45Å
255L37.7Very low59.3Low61 Ų6163.5 Ų63.532%0.31934%0.337SS..Hα-helixtrans-82.6-24.5177.1-154.374.7000113.4Y13 F17 P251 L252 A253Y13-L255 HydrophobicContact CE2-CD1 3.84Å; Y13-L255 HydrophobicContact CE2-CD2 4.26Å; Y13-L255 HydrophobicContact CE2-CG 4.08Å; Y13-L255 WeakPolarHBondContact OH-CD1 3.41Å; F17-L255 VanDerWaalsContact CE2-O 3.31Å; F17-L255 WeakPolarHBondContact CE2-O 3.24Å; P251-L255 PolarHBondContact O-N 3.35Å; L252-L255 WeakPolarHBondContact O-CA 3.46Å; L252-L255 WeakPolarHBondContact O-CB 3.29Å; L252-L255 PolarHBondContact O-N 3.16Å; L252-L255 VanDerWaalsContact O-N 3.07Å; A253-L255 PolarHBondContact O-N 3.29Å; A253-L255 VanDerWaalsContact O-N 3.12Å
256F39.9Very low61.1Low108 Ų10861.4 Ų61.447%0.47433%0.326SS..Hα-helixtrans-115.1-12.5-176.8-66.9-70.6000113.7F21 L252 A253F21-F256 AromaticContact CE1-CD1 3.92Å; F21-F256 HydrophobicContact CE1-CD1 3.92Å; F21-F256 AromaticContact CZ-CD1 3.94Å; F21-F256 HydrophobicContact CZ-CD1 3.94Å; F21-F256 HydrophobicContact CZ-CE1 4.24Å; L252-F256 HydrophobicContact CD1-CE2 3.85Å; L252-F256 HydrophobicContact CG-CD2 4.16Å; L252-F256 HydrophobicContact CG-CE2 3.84Å; L252-F256 WeakPolarHBondContact O-CD2 3.36Å; L252-F256 PolarHBondContact O-N 3Å; A253-F256 PolarHBondContact O-N 3.43Å; A253-F256 VanDerWaalsContact O-N 3.12Å
257L50.5Low63Low41 Ų4159.1 Ų59.122%0.21532%0.315CS..SBendtrans-96.3129-174.8-68.6168.1000111.3V232 Y234 A253V232-L257 HydrophobicContact CB-CD2 4.2Å; V232-L257 HydrophobicContact CG1-CD2 3.27Å; V232-L257 HydrophobicContact CG1-CG 4.49Å; V232-L257 CarbonylContact O-C 3.54Å; V232-L257 WeakPolarHBondContact O-CA 3.44Å; Y234-L257 HydrophobicContact CD2-CD1 3.61Å; Y234-L257 HydrophobicContact CG-CD1 4.22Å; A253-L257 HydrophobicContact CB-CD1 3.52Å; A253-L257 HydrophobicContact CB-CG 4.47Å; A253-L257 WeakPolarHBondContact O-CB 3.4Å; A253-L257 VanDerWaalsContact O-CD1 3.24Å; A253-L257 WeakPolarHBondContact O-CD1 3.47Å; A253-L257 WeakPolarHBondContact O-CG 3.45Å; A253-L257 PolarHBondContact O-N 3.39Å
258L54.1Low65Low34 Ų3453 Ų5318%0.17828%0.283CS..BIsolated β-bridgetrans-57.3144.9170.4-71.4164.1000110F21 V232 I233 Y234F21-L258 WeakPolarHBondContact O-CD2 3.48Å; V232-L258 PolarHBondContact O-N 3.07Å; I233-L258 HydrophobicContact CB-CB 4.45Å; I233-L258 HydrophobicContact CG1-CB 3.74Å; I233-L258 HydrophobicContact CG1-CD1 4.2Å; I233-L258 WeakPolarHBondContact CG2-O 3.44Å; Y234-L258 PolarHBondContact N-O 2.99Å; Y234-L258 VanDerWaalsContact N-O 3.13Å
259D66.5Low67Low86 Ų8649 Ų4946%0.4626%0.26SS..PPolyproline II helixtrans-71.2159.4167.673.4-46.9000109.8S261 G262 G263D259-S261 PolarHBondContact O-N 2.88Å; D259-S261 PolarHBondContact OD1-OG 2.78Å; D259-S261 VanDerWaalsContact OD2-CB 3.22Å; D259-S261 WeakPolarHBondContact OD2-CB 3.39Å; D259-S261 PolarHBondContact OD2-N 3.29Å; D259-S261 PolarHBondContact OD2-OG 2.96Å; D259-G262 PolarHBondContact O-N 2.9Å; D259-G262 PolarHBondContact OD1-N 3.16Å; D259-G263 PolarHBondContact O-N 3.37Å
260P68.2Low69.2Low44 Ų4444.2 Ų44.229%0.28624%0.236SC..Hα-helixtrans-53.4-29.4178.4-30.537.6000114.4S49 G263 C264S49-P260 WeakPolarHBondContact CB-O 3.35Å; S49-P260 WeakPolarHBondContact OG-CB 3.44Å; P260-G263 PolarHBondContact O-N 3.41Å; P260-C264 PolarHBondContact O-N 2.87Å; P260-C264 VanDerWaalsContact O-N 3.15Å
261S73.6Confident71.5Confident49 Ų4941.4 Ų41.434%0.34322%0.223SC..Hα-helixtrans-71.1-38.5175.988.80000112.7D259 G263 C264 Q265D259-S261 PolarHBondContact O-N 2.88Å; D259-S261 PolarHBondContact OD1-OG 2.78Å; D259-S261 VanDerWaalsContact OD2-CB 3.22Å; D259-S261 WeakPolarHBondContact OD2-CB 3.39Å; D259-S261 PolarHBondContact OD2-N 3.29Å; D259-S261 PolarHBondContact OD2-OG 2.96Å; S261-G263 VanDerWaalsContact C-N 3.32Å; S261-C264 PolarHBondContact O-SG 3.16Å; S261-Q265 WeakPolarHBondContact O-CG 3.37Å; S261-Q265 PolarHBondContact O-NE2 2.88Å
262G79.3Confident73.9Confident13 Ų1337.1 Ų37.113%0.13420%0.195CC..Hα-helixtrans-66.3-36.2168.300000112.2D259 C264 Q265D259-G262 PolarHBondContact O-N 2.9Å; D259-G262 PolarHBondContact OD1-N 3.16Å; G262-C264 PolarHBondContact O-N 3.18Å; G262-Q265 WeakPolarHBondContact O-CB 3.4Å; G262-Q265 VanDerWaalsContact O-CG 3.26Å; G262-Q265 WeakPolarHBondContact O-CG 3.06Å; G262-Q265 PolarHBondContact O-N 2.86Å
263G83.2Confident76.5Confident0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-68.3-27.8-177.800000115.8P230 D259 P260 S261 Q265P230-G263 VanDerWaalsContact CB-O 3.23Å; P230-G263 WeakPolarHBondContact CB-O 3.38Å; D259-G263 PolarHBondContact O-N 3.37Å; P260-G263 PolarHBondContact O-N 3.41Å; S261-G263 VanDerWaalsContact C-N 3.32Å; G263-Q265 VanDerWaalsContact C-N 3.31Å
264C91.1Very high78.9Confident0 Ų040.6 Ų40.60%021%0.205CC..THydrogen-bonded Turntrans-80.3-11.2177.467.70000113.4I46 T50 P260 S261 G262 T266 T267 L268I46-C264 HydrophobicContact CG2-CB 4.19Å; T50-C264 WeakPolarHBondContact OG1-CB 3.46Å; P260-C264 PolarHBondContact O-N 2.87Å; P260-C264 VanDerWaalsContact O-N 3.15Å; S261-C264 PolarHBondContact O-SG 3.16Å; G262-C264 PolarHBondContact O-N 3.18Å; C264-T266 PolarHBondContact O-N 2.71Å; C264-T267 WeakPolarHBondContact O-CA 3.28Å; C264-T267 WeakPolarHBondContact O-CB 3.46Å; C264-T267 PolarHBondContact O-N 3.4Å; C264-T267 VanDerWaalsContact O-N 3.08Å; C264-L268 HydrophobicContact CB-CD1 4.36Å; C264-L268 WeakPolarHBondContact O-CG 3.16Å; C264-L268 PolarHBondContact O-N 3.35Å
265Q93.8Very high81.3Confident21 Ų2137 Ų3710%0.09821%0.206CC..Hα-helixtrans-62.1-43.5-168.5-62.7-57.8-48.400113.3T24 R25 C26 S261 G262 G263 T267 L268 Y269T24-Q265 VanDerWaalsContact O-CB 3.23Å; T24-Q265 WeakPolarHBondContact O-CB 3.24Å; R25-Q265 HydrophobicContact CG-CG 4.37Å; C26-Q265 WeakPolarHBondContact CB-O 3.42Å; S261-Q265 WeakPolarHBondContact O-CG 3.37Å; S261-Q265 PolarHBondContact O-NE2 2.88Å; G262-Q265 WeakPolarHBondContact O-CB 3.4Å; G262-Q265 VanDerWaalsContact O-CG 3.26Å; G262-Q265 WeakPolarHBondContact O-CG 3.06Å; G262-Q265 PolarHBondContact O-N 2.86Å; G263-Q265 VanDerWaalsContact C-N 3.31Å; Q265-T267 VanDerWaalsContact C-N 3.33Å; Q265-T267 PolarHBondContact O-N 2.92Å; Q265-L268 PolarHBondContact O-N 2.99Å; Q265-Y269 WeakPolarHBondContact O-CB 3.39Å; Q265-Y269 PolarHBondContact O-N 3.15Å
266T94.8Very high84.2Confident4 Ų434.4 Ų34.43%0.02519%0.192CC..Hα-helixtrans-69.1-34.7177.3-56.50000111.2L228 C264 Y269 C270 F284 S286 C287L228-T266 HydrophobicContact CB-CG2 3.75Å; L228-T266 HydrophobicContact CD1-CG2 4.32Å; L228-T266 HydrophobicContact CD2-CG2 4.26Å; L228-T266 HydrophobicContact CG-CG2 4.34Å; C264-T266 PolarHBondContact O-N 2.71Å; T266-Y269 WeakPolarHBondContact O-CB 3.25Å; T266-Y269 PolarHBondContact O-N 3.22Å; T266-C270 PolarHBondContact O-N 2.95Å; T266-C270 PolarHBondContact O-SG 3.27Å; T266-C270 VanDerWaalsContact O-SG 3.41Å; T266-F284 HydrophobicContact CG2-CB 3.9Å; T266-S286 PolarHBondContact OG1-N 2.92Å; T266-S286 VanDerWaalsContact OG1-N 3.11Å; T266-C287 PolarHBondContact OG1-N 3.27Å; T266-C287 VanDerWaalsContact OG1-N 3.16Å
267T97.6Very high86.9Confident0 Ų032.8 Ų32.80%019%0.186CC..Hα-helixtrans-61.9-46.1173-53.20000111.5T50 I118 I164 L228 C264 Q265 Y269 C270 A271T50-T267 HydrophobicContact CG2-CG2 3.77Å; I118-T267 HydrophobicContact CD1-CG2 4.09Å; I118-T267 HydrophobicContact CG2-CG2 3.66Å; I164-T267 HydrophobicContact CG2-CG2 4.19Å; L228-T267 VanDerWaalsContact CD2-CA 3.47Å; C264-T267 WeakPolarHBondContact O-CA 3.28Å; C264-T267 WeakPolarHBondContact O-CB 3.46Å; C264-T267 PolarHBondContact O-N 3.4Å; C264-T267 VanDerWaalsContact O-N 3.08Å; Q265-T267 VanDerWaalsContact C-N 3.33Å; Q265-T267 PolarHBondContact O-N 2.92Å; T267-Y269 VanDerWaalsContact C-N 3.34Å; T267-C270 PolarHBondContact O-N 3.5Å; T267-A271 VanDerWaalsContact O-CB 3.28Å; T267-A271 WeakPolarHBondContact O-CB 3.38Å; T267-A271 PolarHBondContact O-N 3.32Å
268L97.9Very high89.2Confident1 Ų136.3 Ų36.31%0.00521%0.211CC..Hα-helixtrans-63.8-39.1174.9-68.2170.6000111.6C26 T50 E53 L54 C264 Q265 A271 L272C26-L268 HydrophobicContact CB-CB 3.88Å; T50-L268 HydrophobicContact CG2-CD2 4.31Å; E53-L268 HydrophobicContact CB-CD1 3.66Å; E53-L268 HydrophobicContact CB-CD2 3.85Å; E53-L268 HydrophobicContact CB-CG 4.4Å; E53-L268 HydrophobicContact CG-CD1 3.9Å; L54-L268 HydrophobicContact CD2-CD2 4.09Å; L54-L268 HydrophobicContact CG-CD2 4.07Å; C264-L268 HydrophobicContact CB-CD1 4.36Å; C264-L268 WeakPolarHBondContact O-CG 3.16Å; C264-L268 PolarHBondContact O-N 3.35Å; Q265-L268 PolarHBondContact O-N 2.99Å; L268-A271 PolarHBondContact O-N 2.92Å; L268-L272 HydrophobicContact CB-CD1 4.19Å; L268-L272 HydrophobicContact CD2-CD1 4.11Å; L268-L272 WeakPolarHBondContact O-CB 3.39Å; L268-L272 WeakPolarHBondContact O-CG 3.35Å; L268-L272 PolarHBondContact O-N 3.06Å
269Y97.7Very high91.3Very high44 Ų4437.2 Ų37.217%0.17322%0.216CC..Hα-helixtrans-59.4-52.2175.2179.4-90.1000111.2Q265 T266 T267 A271 L272 Q273 I276 F284 C287Q265-Y269 WeakPolarHBondContact O-CB 3.39Å; Q265-Y269 PolarHBondContact O-N 3.15Å; T266-Y269 WeakPolarHBondContact O-CB 3.25Å; T266-Y269 PolarHBondContact O-N 3.22Å; T267-Y269 VanDerWaalsContact C-N 3.34Å; Y269-A271 PolarHBondContact O-N 2.94Å; Y269-L272 PolarHBondContact O-N 2.79Å; Y269-Q273 HydrophobicContact CD1-CB 4.38Å; Y269-Q273 HydrophobicContact CD2-CB 3.88Å; Y269-Q273 HydrophobicContact CD2-CG 4.14Å; Y269-Q273 HydrophobicContact CE1-CB 4.29Å; Y269-Q273 HydrophobicContact CE1-CG 4.34Å; Y269-Q273 HydrophobicContact CE2-CB 3.81Å; Y269-Q273 HydrophobicContact CE2-CG 3.55Å; Y269-Q273 HydrophobicContact CG-CB 4.19Å; Y269-Q273 WeakPolarHBondContact O-CB 3.2Å; Y269-Q273 PolarHBondContact O-N 3.15Å; Y269-I276 HydrophobicContact CE1-CD1 4.42Å; Y269-I276 HydrophobicContact CE1-CG2 4.13Å; Y269-F284 HydrophobicContact CD1-CD1 4.18Å; Y269-F284 AromaticContact CE1-CD1 3.79Å; Y269-F284 HydrophobicContact CE1-CD1 3.79Å; Y269-F284 AromaticContact CE1-CE1 3.83Å; Y269-F284 HydrophobicContact CE1-CE1 3.83Å; Y269-C287 HydrophobicContact CD1-CB 4.38Å; Y269-C287 HydrophobicContact CD2-CB 3.65Å; Y269-C287 WeakPolarHBondContact CE1-O 3.46Å; Y269-C287 HydrophobicContact CE2-CB 4.23Å; Y269-C287 WeakPolarHBondContact CE2-O 3.42Å; Y269-C287 HydrophobicContact CG-CB 3.72Å
270C98.3Very high92.8Very high0 Ų034.6 Ų34.60%021%0.205CC..Hα-helixtrans-62-33.9177.1-64.90000112.5R162 I164 Y226 L228 T266 T267R162-C270 WeakPolarHBondContact CD-O 3.38Å; R162-C270 PolarHBondContact NH1-O 2.83Å; I164-C270 HydrophobicContact CG1-CB 3.9Å; I164-C270 HydrophobicContact CG2-CB 4.15Å; Y226-C270 HydrophobicContact CD2-CB 4.15Å; Y226-C270 HydrophobicContact CG-CB 4.26Å; L228-C270 HydrophobicContact CD2-CB 4.19Å; T266-C270 PolarHBondContact O-N 2.95Å; T266-C270 PolarHBondContact O-SG 3.27Å; T266-C270 VanDerWaalsContact O-SG 3.41Å; T267-C270 PolarHBondContact O-N 3.5Å
271A98.3Very high94.2Very high4 Ų432.9 Ų32.93%0.03320%0.195CC..Hα-helixtrans-76.3-30179.500000114I116 R162 I164 T267 L268 Y269I116-A271 HydrophobicContact CD1-CB 4.35Å; I116-A271 HydrophobicContact CG2-CB 4.25Å; R162-A271 PolarHBondContact NH1-O 3Å; I164-A271 HydrophobicContact CD1-CB 4.09Å; T267-A271 VanDerWaalsContact O-CB 3.28Å; T267-A271 WeakPolarHBondContact O-CB 3.38Å; T267-A271 PolarHBondContact O-N 3.32Å; L268-A271 PolarHBondContact O-N 2.92Å; Y269-A271 PolarHBondContact O-N 2.94Å
272L97.9Very high95.4Very high5 Ų535.9 Ų35.93%0.02620%0.199CC..Hα-helixtrans-124.1-20.4-164.6-56.8175.7000115.1S28 A30 L32 L54 L268 Y269 E274S28-L272 PolarHBondContact OG-O 2.9Å; A30-L272 HydrophobicContact CB-CB 4.25Å; A30-L272 HydrophobicContact CB-CD2 4.35Å; L32-L272 HydrophobicContact CD1-CD2 3.74Å; L32-L272 HydrophobicContact CD2-CD2 4.02Å; L32-L272 HydrophobicContact CG-CD2 4.05Å; L54-L272 HydrophobicContact CD2-CD2 4.05Å; L268-L272 HydrophobicContact CB-CD1 4.19Å; L268-L272 HydrophobicContact CD2-CD1 4.11Å; L268-L272 WeakPolarHBondContact O-CB 3.39Å; L268-L272 WeakPolarHBondContact O-CG 3.35Å; L268-L272 PolarHBondContact O-N 3.06Å; Y269-L272 PolarHBondContact O-N 2.79Å; L272-E274 PolarHBondContact O-N 2.87Å
273Q97.2Very high96.2Very high61 Ų6135.7 Ų35.729%0.28519%0.194SC..  trans-72.5125.4-176.8-178.962.128.600109.6R162 Y269 I276R162-Q273 VanDerWaalsContact CZ-O 3.23Å; R162-Q273 PolarHBondContact NH1-O 3.25Å; R162-Q273 PolarHBondContact NH2-O 2.95Å; Y269-Q273 HydrophobicContact CD1-CB 4.38Å; Y269-Q273 HydrophobicContact CD2-CB 3.88Å; Y269-Q273 HydrophobicContact CD2-CG 4.14Å; Y269-Q273 HydrophobicContact CE1-CB 4.29Å; Y269-Q273 HydrophobicContact CE1-CG 4.34Å; Y269-Q273 HydrophobicContact CE2-CB 3.81Å; Y269-Q273 HydrophobicContact CE2-CG 3.55Å; Y269-Q273 HydrophobicContact CG-CB 4.19Å; Y269-Q273 WeakPolarHBondContact O-CB 3.2Å; Y269-Q273 PolarHBondContact O-N 3.15Å; Q273-I276 HydrophobicContact CB-CD1 4.27Å; Q273-I276 HydrophobicContact CB-CG2 4.39Å; Q273-I276 HydrophobicContact CG-CG2 3.84Å; Q273-I276 WeakPolarHBondContact O-CG1 3.45Å
274E95.1Very high96.9Very high141 Ų14135.8 Ų35.866%0.65919%0.194SC*.THydrogen-bonded Turntrans-80.8153.1171-64.4177-172.500110.7L272L272-E274 PolarHBondContact O-N 2.87Å
275G95.4Very high96.9Very high59 Ų5936.6 Ų36.661%0.60820%0.2SC*.THydrogen-bonded Turntrans87.3-1.2177.400000114.8E277G275-E277 VanDerWaalsContact C-OE2 3.27Å; G275-E277 WeakPolarHBondContact CA-OE2 3.36Å; G275-E277 PolarHBondContact N-OE2 3.33Å
276I97.3Very high96.7Very high7 Ų738.6 Ų38.64%0.03622%0.216CC..  trans-91.40.617564.8166.9000112.8Y226 Y269 Q273 P278 L279Y226-I276 HydrophobicContact CD1-CD1 4.49Å; Y226-I276 HydrophobicContact CD2-CD1 4.34Å; Y226-I276 HydrophobicContact CE1-CD1 4.06Å; Y226-I276 HydrophobicContact CE1-CG1 4.2Å; Y226-I276 WeakPolarHBondContact CE1-O 3.22Å; Y226-I276 HydrophobicContact CE2-CD1 3.93Å; Y226-I276 HydrophobicContact CE2-CG1 4.33Å; Y226-I276 PolarHBondContact OH-O 3.29Å; Y226-I276 VanDerWaalsContact OH-O 3.11Å; Y269-I276 HydrophobicContact CE1-CD1 4.42Å; Y269-I276 HydrophobicContact CE1-CG2 4.13Å; Q273-I276 HydrophobicContact CB-CD1 4.27Å; Q273-I276 HydrophobicContact CB-CG2 4.39Å; Q273-I276 HydrophobicContact CG-CG2 3.84Å; Q273-I276 WeakPolarHBondContact O-CG1 3.45Å; I276-P278 VanDerWaalsContact C-CD 3.43Å; I276-P278 VanDerWaalsContact C-N 3.34Å; I276-L279 HydrophobicContact CB-CD1 4.36Å; I276-L279 HydrophobicContact CG2-CD1 4.44Å; I276-L279 WeakPolarHBondContact O-CA 3.31Å; I276-L279 VanDerWaalsContact O-CB 3.23Å; I276-L279 WeakPolarHBondContact O-CB 3.31Å; I276-L279 PolarHBondContact O-N 2.84Å
277E97.4Very high96.6Very high75 Ų7539 Ų3935%0.3522%0.219SC..G310 helixtrans-51.9-42.3179.3-66.972.4-161.900113.5R162 T224 Y226 G275 L279 S280R162-E277 IonicContact CZ-OE1 3.69Å; R162-E277 IonicContact NH2-OE1 3.84Å; R162-E277 PolarHBondContact NH2-OE1 3.45Å; T224-E277 HydrophobicContact CG2-CB 4.02Å; T224-E277 HydrophobicContact CG2-CG 4.06Å; Y226-E277 VanDerWaalsContact OH-CA 3.28Å; Y226-E277 WeakPolarHBondContact OH-CA 3.4Å; Y226-E277 PolarHBondContact OH-N 3.23Å; G275-E277 VanDerWaalsContact C-OE2 3.27Å; G275-E277 WeakPolarHBondContact CA-OE2 3.36Å; G275-E277 PolarHBondContact N-OE2 3.33Å; E277-L279 PolarHBondContact O-N 3.42Å; E277-S280 PolarHBondContact O-N 2.97Å; E277-S280 VanDerWaalsContact O-N 3.13Å
278P97.8Very high96.3Very high114 Ų11440.9 Ų40.974%0.7424%0.235SC*.G310 helixtrans-64.6-11.3175-22.135.2000114.3I276I276-P278 VanDerWaalsContact C-CD 3.43Å; I276-P278 VanDerWaalsContact C-N 3.34Å
279L98.1Very high96.2Very high53 Ų5344.6 Ų44.628%0.27725%0.254SS..G310 helixtrans-97.117.2178.2-52.2176.9000112.2I276 E277 G281 R282 F284 L289I276-L279 HydrophobicContact CB-CD1 4.36Å; I276-L279 HydrophobicContact CG2-CD1 4.44Å; I276-L279 WeakPolarHBondContact O-CA 3.31Å; I276-L279 VanDerWaalsContact O-CB 3.23Å; I276-L279 WeakPolarHBondContact O-CB 3.31Å; I276-L279 PolarHBondContact O-N 2.84Å; E277-L279 PolarHBondContact O-N 3.42Å; L279-G281 PolarHBondContact O-N 3.09Å; L279-R282 HydrophobicContact CB-CB 4.37Å; L279-R282 HydrophobicContact CB-CG 4.18Å; L279-R282 WeakPolarHBondContact O-CB 3.44Å; L279-R282 WeakPolarHBondContact O-CG 3.15Å; L279-R282 PolarHBondContact O-N 3.48Å; L279-R282 VanDerWaalsContact O-N 3.1Å; L279-F284 HydrophobicContact CB-CE2 4.45Å; L279-F284 HydrophobicContact CB-CZ 3.91Å; L279-F284 HydrophobicContact CD1-CE1 4.18Å; L279-F284 HydrophobicContact CD1-CZ 3.77Å; L279-L289 HydrophobicContact CD1-CD2 4.46Å; L279-L289 HydrophobicContact CD2-CD2 4.18Å
280S98.4Very high96.1Very high31 Ų3146.7 Ų46.722%0.21727%0.266CS..THydrogen-bonded Turntrans-52.8139.1172.3-166.80000111.1C225 E277 R282C225-S280 PolarHBondContact N-OG 3.21Å; C225-S280 CarbonylContact O-C 3.58Å; C225-S280 WeakPolarHBondContact O-CA 3.42Å; E277-S280 PolarHBondContact O-N 2.97Å; E277-S280 VanDerWaalsContact O-N 3.13Å; S280-R282 VanDerWaalsContact C-N 3.3Å; S280-R282 PolarHBondContact O-N 3.4Å
281G98.1Very high95.8Very high8 Ų852.7 Ų52.78%0.08229%0.294CS..THydrogen-bonded Turntrans79.65.6-174.800000114.7A215 C225 L279A215-G281 VanDerWaalsContact CB-N 3.34Å; C225-G281 PolarHBondContact O-N 3.06Å; L279-G281 PolarHBondContact O-N 3.09Å
282R98Very high95.5Very high113 Ų11353.3 Ų53.343%0.42630%0.297SS..EExtended strand (participates in β ladder)trans-99.9167.7-178.3-56.4-65.3-177.5-109.21.1113.4T227 L279 S280 F284 L289T227-R282 PolarHBondContact N-O 3.36Å; T227-R282 VanDerWaalsContact N-O 3.08Å; L279-R282 HydrophobicContact CB-CB 4.37Å; L279-R282 HydrophobicContact CB-CG 4.18Å; L279-R282 WeakPolarHBondContact O-CB 3.44Å; L279-R282 WeakPolarHBondContact O-CG 3.15Å; L279-R282 PolarHBondContact O-N 3.48Å; L279-R282 VanDerWaalsContact O-N 3.1Å; S280-R282 VanDerWaalsContact C-N 3.3Å; S280-R282 PolarHBondContact O-N 3.4Å; R282-F284 HydrophobicContact CB-CE2 4.1Å; R282-L289 HydrophobicContact CB-CD1 3.54Å; R282-L289 HydrophobicContact CG-CD1 4.09Å
283Y97.8Very high95.1Very high9 Ų954.1 Ų54.14%0.03531%0.306CS..EExtended strand (participates in β ladder)trans-109.1137.4-175.1-177.6-88.6000112H171 V208 T227 H229 Q290 V292H171-Y283 AromaticContact CE1-CE2 3.72Å; H171-Y283 AromaticContact CE1-CZ 3.54Å; H171-Y283 PolarHBondContact CE1-OH 2.98Å; H171-Y283 AromaticContact ND1-CE2 3.91Å; H171-Y283 AromaticContact ND1-CZ 3.9Å; H171-Y283 PolarHBondContact ND1-OH 2.9Å; V208-Y283 HydrophobicContact CG2-CD2 4Å; V208-Y283 HydrophobicContact CG2-CE2 4.12Å; T227-Y283 HydrophobicContact CG2-CD2 3.66Å; T227-Y283 HydrophobicContact CG2-CG 4.25Å; T227-Y283 CarbonylContact O-C 3.58Å; T227-Y283 VanDerWaalsContact O-CA 3.24Å; T227-Y283 WeakPolarHBondContact O-CA 3.31Å; H229-Y283 HydrophobicContact CB-CE1 4.44Å; H229-Y283 WeakPolarHBondContact CB-OH 3.47Å; Y283-Q290 HydrophobicContact CD1-CB 3.86Å; Y283-Q290 HydrophobicContact CE1-CB 4.27Å; Y283-Q290 PolarHBondContact O-N 3.43Å; Y283-Q290 VanDerWaalsContact O-O 3.12Å; Y283-V292 HydrophobicContact CD1-CG1 3.9Å; Y283-V292 HydrophobicContact CD2-CG1 3.69Å; Y283-V292 HydrophobicContact CE2-CG1 4.45Å; Y283-V292 HydrophobicContact CG-CG1 3.35Å
284F97Very high94.8Very high1 Ų154.5 Ų54.50%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-124.8147.9-176.6-68.4-100.9000112.3Y226 T227 L228 H229 T266 Y269 L279 R282 A288 L289Y226-F284 HydrophobicContact CD1-CD2 4.39Å; Y226-F284 AromaticContact CD1-CE2 3.66Å; Y226-F284 HydrophobicContact CD1-CE2 3.66Å; Y226-F284 HydrophobicContact CD1-CZ 4.35Å; Y226-F284 HydrophobicContact CE1-CE2 4.37Å; Y226-F284 HydrophobicContact CG-CE2 4.37Å; T227-F284 PolarHBondContact O-N 3.39Å; L228-F284 CarbonylContact C-O 3.48Å; L228-F284 WeakPolarHBondContact CA-O 3.43Å; L228-F284 HydrophobicContact CB-CB 4.25Å; L228-F284 VanDerWaalsContact CB-O 3.31Å; L228-F284 WeakPolarHBondContact CB-O 3.36Å; H229-F284 PolarHBondContact N-O 2.96Å; T266-F284 HydrophobicContact CG2-CB 3.9Å; Y269-F284 HydrophobicContact CD1-CD1 4.18Å; Y269-F284 AromaticContact CE1-CD1 3.79Å; Y269-F284 HydrophobicContact CE1-CD1 3.79Å; Y269-F284 AromaticContact CE1-CE1 3.83Å; Y269-F284 HydrophobicContact CE1-CE1 3.83Å; L279-F284 HydrophobicContact CB-CE2 4.45Å; L279-F284 HydrophobicContact CB-CZ 3.91Å; L279-F284 HydrophobicContact CD1-CE1 4.18Å; L279-F284 HydrophobicContact CD1-CZ 3.77Å; R282-F284 HydrophobicContact CB-CE2 4.1Å; F284-A288 CarbonylContact C-O 3.55Å; F284-A288 VanDerWaalsContact CA-O 3.24Å; F284-A288 WeakPolarHBondContact CA-O 3.5Å; F284-A288 VanDerWaalsContact CD1-C 3.46Å; F284-A288 WeakPolarHBondContact CD1-O 3.47Å; F284-L289 HydrophobicContact CE1-CB 4.14Å; F284-L289 HydrophobicContact CE2-CD1 4.4Å; F284-L289 HydrophobicContact CZ-CD1 4.2Å
285S91.3Very high94.7Very high17 Ų1751.4 Ų51.412%0.11931%0.308CS..EExtended strand (participates in β ladder)trans-151.8146.2167-160.20000109.3H229 C287 A288H229-S285 PolarHBondContact CD2-OG 3.44Å; H229-S285 PolarHBondContact O-OG 3Å; S285-C287 PolarHBondContact O-N 3.46Å; S285-A288 PolarHBondContact N-O 3.49Å; S285-A288 PolarHBondContact O-N 3.19Å; S285-A288 VanDerWaalsContact O-O 3.13Å
286S89Confident94.6Very high63 Ų6348.7 Ų48.744%0.44128%0.28SS..THydrogen-bonded Turntrans51.942-176.4-56.90000112.6T24 T266 A288T24-S286 VanDerWaalsContact CB-O 3.24Å; T24-S286 WeakPolarHBondContact CB-O 3.41Å; T24-S286 PolarHBondContact OG1-O 3.35Å; T266-S286 PolarHBondContact OG1-N 2.92Å; T266-S286 VanDerWaalsContact OG1-N 3.11Å; S286-A288 PolarHBondContact O-N 3.14Å
287C92.6Very high94.4Very high12 Ų1254.6 Ų54.68%0.08130%0.302CS..THydrogen-bonded Turntrans57.825.1-177.5-55.30000115T24 T266 Y269 S285T24-C287 HydrophobicContact CG2-CB 3.88Å; T24-C287 PolarHBondContact O-SG 3.08Å; T266-C287 PolarHBondContact OG1-N 3.27Å; T266-C287 VanDerWaalsContact OG1-N 3.16Å; Y269-C287 HydrophobicContact CD1-CB 4.38Å; Y269-C287 HydrophobicContact CD2-CB 3.65Å; Y269-C287 WeakPolarHBondContact CE1-O 3.46Å; Y269-C287 HydrophobicContact CE2-CB 4.23Å; Y269-C287 WeakPolarHBondContact CE2-O 3.42Å; Y269-C287 HydrophobicContact CG-CB 3.72Å; S285-C287 PolarHBondContact O-N 3.46Å
288A92.6Very high94.4Very high40 Ų4054.7 Ų54.733%0.33131%0.305SS..EExtended strand (participates in β ladder)trans-135.3153.9179.600000111.8F284 S285 S286F284-A288 CarbonylContact C-O 3.55Å; F284-A288 VanDerWaalsContact CA-O 3.24Å; F284-A288 WeakPolarHBondContact CA-O 3.5Å; F284-A288 VanDerWaalsContact CD1-C 3.46Å; F284-A288 WeakPolarHBondContact CD1-O 3.47Å; S285-A288 PolarHBondContact N-O 3.49Å; S285-A288 PolarHBondContact O-N 3.19Å; S285-A288 VanDerWaalsContact O-O 3.13Å; S286-A288 PolarHBondContact O-N 3.14Å
289L95.9Very high94.3Very high80 Ų8052.7 Ų52.742%0.41929%0.288SS..EExtended strand (participates in β ladder)trans-61.5134.5173.1178.566.7000109.8L279 R282 F284L279-L289 HydrophobicContact CD1-CD2 4.46Å; L279-L289 HydrophobicContact CD2-CD2 4.18Å; R282-L289 HydrophobicContact CB-CD1 3.54Å; R282-L289 HydrophobicContact CG-CD1 4.09Å; F284-L289 HydrophobicContact CE1-CB 4.14Å; F284-L289 HydrophobicContact CE2-CD1 4.4Å; F284-L289 HydrophobicContact CZ-CD1 4.2Å
290Q94.1Very high94.3Very high87 Ų8752.5 Ų52.541%0.40730%0.299SS..EExtended strand (participates in β ladder)trans-136.2152.8-179-69.7-62.5-38.100110.9Y283Y283-Q290 HydrophobicContact CD1-CB 3.86Å; Y283-Q290 HydrophobicContact CE1-CB 4.27Å; Y283-Q290 PolarHBondContact O-N 3.43Å; Y283-Q290 VanDerWaalsContact O-O 3.12Å
291Q92.3Very high94.3Very high126 Ų12652.4 Ų52.459%0.58930%0.296SS*.PPolyproline II helixtrans-84.1141174.7-69.5-68.8-14.600111.2R172R172-Q291 PolarHBondContact NH2-O 3.48Å
292V93Very high94.3Very high18 Ų1852 Ų5211%0.10929%0.292CS..PPolyproline II helixtrans-93.7166.1173.1-58.60000110.9V208 Y283 R297V208-V292 HydrophobicContact CG1-CB 4.23Å; V208-V292 HydrophobicContact CG1-CG1 3.88Å; V208-V292 HydrophobicContact CG1-CG2 4.22Å; Y283-V292 HydrophobicContact CD1-CG1 3.9Å; Y283-V292 HydrophobicContact CD2-CG1 3.69Å; Y283-V292 HydrophobicContact CE2-CG1 4.45Å; Y283-V292 HydrophobicContact CG-CG1 3.35Å; V292-R297 HydrophobicContact CG2-CG 3.47Å; V292-R297 VanDerWaalsContact CG2-CG 3.47Å
293G88Confident94.3Very high21 Ų2151.9 Ų51.922%0.21630%0.295CS..PPolyproline II helixtrans-60.3165.9174.100000112.6N295 G296 R297G293-N295 VanDerWaalsContact C-N 3.34Å; G293-N295 PolarHBondContact O-N 3.27Å; G293-G296 PolarHBondContact O-N 3.46Å; G293-R297 PolarHBondContact O-N 3.1Å
294A92.5Very high94.3Very high69 Ų6956.5 Ų56.557%0.5732%0.315SS*.G310 helixtrans-52.5-49.1-178.100000112.6G296 R297A294-G296 VanDerWaalsContact C-N 3.25Å; A294-G296 PolarHBondContact O-N 3.03Å; A294-R297 PolarHBondContact O-N 2.81Å
295N92.3Very high94.4Very high76 Ų7656.5 Ų56.541%0.40632%0.315SS..G310 helixtrans-57.8-36.4177.7-64.7-8.4000112.6L205 L209 G293 R297 D298 L301L205-N295 HydrophobicContact CD1-CB 4.22Å; L205-N295 HydrophobicContact CD2-CB 3.97Å; L209-N295 WeakPolarHBondContact CD2-O 3.49Å; G293-N295 VanDerWaalsContact C-N 3.34Å; G293-N295 PolarHBondContact O-N 3.27Å; N295-R297 PolarHBondContact O-N 2.73Å; N295-D298 PolarHBondContact O-N 2.99Å; N295-L301 HydrophobicContact CB-CD2 4.27Å
296G92.4Very high94.7Very high3 Ų356.1 Ų56.13%0.03131%0.311CS..G310 helixtrans-72.4-8.8179.700000114.6G293 A294G293-G296 PolarHBondContact O-N 3.46Å; A294-G296 VanDerWaalsContact C-N 3.25Å; A294-G296 PolarHBondContact O-N 3.03Å
297R93.8Very high95.2Very high130 Ų13057.5 Ų57.549%0.49131%0.31SS..G310 helixtrans-102.9-2.5177.4-63.1-176.4-72.7163.43113.2R212 V292 G293 A294 N295 D299R212-R297 PolarHBondContact NE-O 3.23Å; R212-R297 PolarHBondContact NH2-O 3.32Å; V292-R297 HydrophobicContact CG2-CG 3.47Å; V292-R297 VanDerWaalsContact CG2-CG 3.47Å; G293-R297 PolarHBondContact O-N 3.1Å; A294-R297 PolarHBondContact O-N 2.81Å; N295-R297 PolarHBondContact O-N 2.73Å; R297-D299 PolarHBondContact O-N 3.49Å
298D96.7Very high95.4Very high77 Ų7757.4 Ų57.441%0.41231%0.309SS..  trans-81.7107.6-176.6-175.1-21.6000110.9N295 G300 L301 A302N295-D298 PolarHBondContact O-N 2.99Å; D298-G300 VanDerWaalsContact C-N 3.35Å; D298-G300 WeakPolarHBondContact OD1-CA 3.39Å; D298-G300 PolarHBondContact OD1-N 3.02Å; D298-L301 HydrophobicContact CB-CB 3.78Å; D298-L301 VanDerWaalsContact CG-CB 3.5Å; D298-L301 PolarHBondContact O-N 3.25Å; D298-L301 PolarHBondContact OD1-N 2.85Å; D298-A302 WeakPolarHBondContact O-CB 3.48Å; D298-A302 PolarHBondContact O-N 2.61Å
299D97Very high95.7Very high72 Ų7255.5 Ų55.539%0.38529%0.294SS..Hα-helixtrans-66.2-34.6177.6-70.1-52.1000112.8R212 N216 R297 A302 K303R212-D299 IonicContact CZ-OD1 2.82Å; R212-D299 IonicContact CZ-OD2 3.59Å; R212-D299 IonicContact NE-OD1 2.65Å; R212-D299 PolarHBondContact NE-OD1 3.33Å; R212-D299 IonicContact NE-OD2 3.81Å; R212-D299 IonicContact NH2-OD1 3.89Å; R212-D299 PolarHBondContact NH2-OD1 2.83Å; R212-D299 IonicContact NH2-OD2 3.34Å; R212-D299 PolarHBondContact NH2-OD2 2.98Å; N216-D299 PolarHBondContact ND2-OD1 3.01Å; R297-D299 PolarHBondContact O-N 3.49Å; D299-A302 PolarHBondContact O-N 2.96Å; D299-K303 WeakPolarHBondContact O-CB 3.25Å; D299-K303 PolarHBondContact O-N 3.27Å
300G98Very high95.8Very high49 Ų4953.9 Ų53.951%0.50528%0.284SS..Hα-helixtrans-66.9-41.9177.600000111.2D298 K304D298-G300 VanDerWaalsContact C-N 3.35Å; D298-G300 WeakPolarHBondContact OD1-CA 3.39Å; D298-G300 PolarHBondContact OD1-N 3.02Å; G300-K304 WeakPolarHBondContact O-CB 3.38Å; G300-K304 PolarHBondContact O-N 3.3Å
301L97.6Very high95.9Very high29 Ų2957.4 Ų57.415%0.15229%0.294CS..Hα-helixtrans-64.6-41.5173.7-174.463.5000111.8I176 F178 L209 N295 D298 K304 L305I176-L301 HydrophobicContact CB-CD1 4.42Å; I176-L301 HydrophobicContact CD1-CD2 4.5Å; I176-L301 HydrophobicContact CD1-CG 4.5Å; F178-L301 HydrophobicContact CE2-CD1 3.53Å; F178-L301 HydrophobicContact CZ-CD1 3.61Å; L209-L301 HydrophobicContact CD1-CD2 3.73Å; L209-L301 HydrophobicContact CD1-CG 3.85Å; L209-L301 HydrophobicContact CD2-CB 4.47Å; L209-L301 HydrophobicContact CD2-CD2 4.4Å; L209-L301 HydrophobicContact CD2-CG 4.43Å; N295-L301 HydrophobicContact CB-CD2 4.27Å; D298-L301 HydrophobicContact CB-CB 3.78Å; D298-L301 VanDerWaalsContact CG-CB 3.5Å; D298-L301 PolarHBondContact O-N 3.25Å; D298-L301 PolarHBondContact OD1-N 2.85Å; L301-K304 PolarHBondContact O-N 3.48Å; L301-L305 WeakPolarHBondContact O-CB 3.4Å; L301-L305 PolarHBondContact O-N 3.48Å
302A98.4Very high96.1Very high1 Ų152.7 Ų52.71%0.00827%0.272CS..Hα-helixtrans-62.7-47.2178.600000111.9L209 E213 D298 D299 L305 W306L209-A302 HydrophobicContact CB-CB 4.19Å; L209-A302 HydrophobicContact CD2-CB 3.78Å; E213-A302 HydrophobicContact CB-CB 4.02Å; D298-A302 WeakPolarHBondContact O-CB 3.48Å; D298-A302 PolarHBondContact O-N 2.61Å; D299-A302 PolarHBondContact O-N 2.96Å; A302-L305 PolarHBondContact O-N 3.06Å; A302-W306 PolarHBondContact O-N 2.96Å
303K98.3Very high96.3Very high109 Ų10952 Ų5247%0.47427%0.268SS..Hα-helixtrans-61.3-45.7176.1-173.8-179.9178.3-178.20112D299 L305 W306 E307D299-K303 WeakPolarHBondContact O-CB 3.25Å; D299-K303 PolarHBondContact O-N 3.27Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 3.1Å; K303-W306 WeakPolarHBondContact O-CB 3.38Å; K303-W306 PolarHBondContact O-N 3.05Å; K303-W306 VanDerWaalsContact O-N 3.14Å; K303-E307 VanDerWaalsContact CE-OE1 3.32Å; K303-E307 WeakPolarHBondContact CE-OE1 3.16Å; K303-E307 WeakPolarHBondContact O-CG 3.29Å; K303-E307 PolarHBondContact O-N 3.11Å
304K98.1Very high96.6Very high107 Ų10753.4 Ų53.447%0.46528%0.282SS..Hα-helixtrans-62.9-39.9177.4-174.4172.8177.8178.70112.2F178 G300 L301 W306 V308F178-K304 HydrophobicContact CD1-CG 4.5Å; F178-K304 HydrophobicContact CD2-CD 3.88Å; F178-K304 VanDerWaalsContact CD2-CE 3.47Å; F178-K304 HydrophobicContact CD2-CG 4.37Å; F178-K304 HydrophobicContact CE1-CG 4.05Å; F178-K304 HydrophobicContact CE2-CB 4.44Å; F178-K304 HydrophobicContact CE2-CD 3.53Å; F178-K304 HydrophobicContact CE2-CG 3.88Å; F178-K304 HydrophobicContact CZ-CB 4.01Å; F178-K304 HydrophobicContact CZ-CD 3.91Å; F178-K304 HydrophobicContact CZ-CG 3.7Å; G300-K304 WeakPolarHBondContact O-CB 3.38Å; G300-K304 PolarHBondContact O-N 3.3Å; L301-K304 PolarHBondContact O-N 3.48Å; K304-W306 VanDerWaalsContact C-N 3.32Å; K304-V308 WeakPolarHBondContact O-CB 3.5Å; K304-V308 VanDerWaalsContact O-CG2 3.29Å; K304-V308 WeakPolarHBondContact O-CG2 3.4Å; K304-V308 PolarHBondContact O-N 2.99Å
305L98.4Very high96.6Very high1 Ų152.9 Ų52.91%0.00527%0.269CS..Hα-helixtrans-61.4-41.7173.3176.666.2000111.8I176 F178 L181 C206 L209 L301 A302 K303 S309I176-L305 HydrophobicContact CD1-CD1 4.31Å; I176-L305 HydrophobicContact CD1-CD2 4.11Å; F178-L305 HydrophobicContact CE1-CB 4.2Å; F178-L305 HydrophobicContact CE1-CD1 4.33Å; F178-L305 HydrophobicContact CZ-CB 4.4Å; L181-L305 HydrophobicContact CD1-CD1 4.39Å; C206-L305 HydrophobicContact CB-CD1 4.49Å; C206-L305 HydrophobicContact CB-CD2 3.79Å; L209-L305 HydrophobicContact CB-CD2 3.71Å; L209-L305 HydrophobicContact CD1-CD2 4.18Å; L301-L305 WeakPolarHBondContact O-CB 3.4Å; L301-L305 PolarHBondContact O-N 3.48Å; A302-L305 PolarHBondContact O-N 3.06Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 3.1Å; L305-S309 VanDerWaalsContact O-CB 3.29Å; L305-S309 WeakPolarHBondContact O-CB 2.99Å; L305-S309 PolarHBondContact O-N 2.95Å; L305-S309 PolarHBondContact O-OG 2.86Å
306W98.6Very high95.7Very high8 Ų855.3 Ų55.33%0.0330%0.299CS..Hα-helixtrans-59.8-53.8176.6-172.1-70.1000111.7F145 N149 F210 E213 L214 R217 A302 K303 K304 V308 S309 E310F145-W306 AromaticContact CE2-CD2 3.63Å; F145-W306 HydrophobicContact CE2-CD2 3.63Å; F145-W306 AromaticContact CE2-CE2 3.86Å; F145-W306 AromaticContact CE2-CE3 3.71Å; F145-W306 HydrophobicContact CE2-CE3 3.71Å; F145-W306 HydrophobicContact CE2-CG 4.09Å; F145-W306 HydrophobicContact CE2-CH2 4.25Å; F145-W306 HydrophobicContact CE2-CZ2 4.18Å; F145-W306 HydrophobicContact CE2-CZ3 4.02Å; F145-W306 AromaticContact CZ-CD2 3.99Å; F145-W306 HydrophobicContact CZ-CD2 3.99Å; F145-W306 AromaticContact CZ-CE2 3.87Å; F145-W306 HydrophobicContact CZ-CG 4.19Å; F145-W306 HydrophobicContact CZ-CZ2 4.3Å; F145-W306 AromaticContact CZ-NE1 3.96Å; N149-W306 VanDerWaalsContact OD1-CZ2 3.3Å; N149-W306 WeakPolarHBondContact OD1-CZ2 3.44Å; F210-W306 HydrophobicContact CD2-CE3 4.16Å; F210-W306 AromaticContact CD2-CZ3 3.82Å; F210-W306 HydrophobicContact CD2-CZ3 3.82Å; F210-W306 HydrophobicContact CE2-CE3 4.38Å; F210-W306 HydrophobicContact CE2-CH2 4.18Å; F210-W306 AromaticContact CE2-CZ3 3.65Å; F210-W306 HydrophobicContact CE2-CZ3 3.65Å; E213-W306 HydrophobicContact CB-CE3 3.9Å; E213-W306 HydrophobicContact CG-CB 3.81Å; E213-W306 HydrophobicContact CG-CD2 3.81Å; E213-W306 HydrophobicContact CG-CE3 3.46Å; E213-W306 VanDerWaalsContact CG-CE3 3.46Å; E213-W306 HydrophobicContact CG-CG 3.98Å; E213-W306 HydrophobicContact CG-CZ3 4.31Å; L214-W306 HydrophobicContact CB-CH2 4.41Å; L214-W306 HydrophobicContact CB-CZ3 3.87Å; L214-W306 HydrophobicContact CD1-CH2 3.69Å; L214-W306 HydrophobicContact CD1-CZ3 4.03Å; R217-W306 VanDerWaalsContact NH1-NE1 3.15Å; A302-W306 PolarHBondContact O-N 2.96Å; K303-W306 WeakPolarHBondContact O-CB 3.38Å; K303-W306 PolarHBondContact O-N 3.05Å; K303-W306 VanDerWaalsContact O-N 3.14Å; K304-W306 VanDerWaalsContact C-N 3.32Å; W306-V308 VanDerWaalsContact C-N 3.31Å; W306-V308 PolarHBondContact O-N 3.15Å; W306-S309 CarbonylContact O-C 3.37Å; W306-S309 WeakPolarHBondContact O-CA 3.47Å; W306-S309 WeakPolarHBondContact O-CB 3.33Å; W306-S309 PolarHBondContact O-N 3Å; W306-E310 PolarHBondContact NE1-OE1 3.2Å; W306-E310 PolarHBondContact O-N 2.97Å
307E98Very high95.9Very high92 Ų9258 Ų5843%0.4331%0.313SS..Hα-helixtrans-56.9-43.4179.7-68.3167.7-175.700112K303 S309 E310 R311K303-E307 VanDerWaalsContact CE-OE1 3.32Å; K303-E307 WeakPolarHBondContact CE-OE1 3.16Å; K303-E307 WeakPolarHBondContact O-CG 3.29Å; K303-E307 PolarHBondContact O-N 3.11Å; E307-S309 VanDerWaalsContact C-N 3.35Å; E307-E310 PolarHBondContact O-N 3Å; E307-R311 PolarHBondContact O-N 2.89Å
308V97.7Very high96Very high10 Ų1054.2 Ų54.26%0.06130%0.303CS..Hα-helixtrans-64.2-42.4175.5171.70000110.6F178 K304 W306 R311 L312F178-V308 HydrophobicContact CD1-CB 4.27Å; F178-V308 HydrophobicContact CD1-CG1 4.34Å; F178-V308 HydrophobicContact CD1-CG2 3.8Å; F178-V308 HydrophobicContact CE1-CB 4.5Å; F178-V308 HydrophobicContact CE1-CG2 4.21Å; K304-V308 WeakPolarHBondContact O-CB 3.5Å; K304-V308 VanDerWaalsContact O-CG2 3.29Å; K304-V308 WeakPolarHBondContact O-CG2 3.4Å; K304-V308 PolarHBondContact O-N 2.99Å; W306-V308 VanDerWaalsContact C-N 3.31Å; W306-V308 PolarHBondContact O-N 3.15Å; V308-R311 PolarHBondContact O-N 2.77Å; V308-L312 HydrophobicContact CG1-CD1 3.72Å; V308-L312 HydrophobicContact CG1-CG 4.08Å; V308-L312 WeakPolarHBondContact O-CB 3.22Å; V308-L312 VanDerWaalsContact O-CG 3.24Å; V308-L312 WeakPolarHBondContact O-CG 3.05Å; V308-L312 PolarHBondContact O-N 3.37Å
309S98.3Very high96Very high0 Ų052.9 Ų52.90%030%0.297CS..Hα-helixtrans-66.2-38.1179.7-55.10000112.1H141 F145 L305 W306 E307 L312 T313H141-S309 PolarHBondContact NE2-OG 2.94Å; F145-S309 VanDerWaalsContact CE1-C 3.41Å; F145-S309 VanDerWaalsContact CE1-CB 3.41Å; L305-S309 VanDerWaalsContact O-CB 3.29Å; L305-S309 WeakPolarHBondContact O-CB 2.99Å; L305-S309 PolarHBondContact O-N 2.95Å; L305-S309 PolarHBondContact O-OG 2.86Å; W306-S309 CarbonylContact O-C 3.37Å; W306-S309 WeakPolarHBondContact O-CA 3.47Å; W306-S309 WeakPolarHBondContact O-CB 3.33Å; W306-S309 PolarHBondContact O-N 3Å; E307-S309 VanDerWaalsContact C-N 3.35Å; S309-L312 PolarHBondContact O-N 3.48Å; S309-T313 WeakPolarHBondContact O-CB 3.28Å; S309-T313 WeakPolarHBondContact O-CG2 3.47Å; S309-T313 PolarHBondContact O-N 3.23Å; S309-T313 PolarHBondContact O-OG1 3.39Å
310E98Very high95.9Very high47 Ų4751.8 Ų51.822%0.2229%0.292CS..Hα-helixtrans-59.1-48.4173.1-70.8179.3143.700111F145 R217 W306 E307 T313 G314 M315 A316F145-E310 HydrophobicContact CE1-CG 4.03Å; F145-E310 HydrophobicContact CZ-CG 3.77Å; R217-E310 IonicContact NH1-OE1 3.41Å; W306-E310 PolarHBondContact NE1-OE1 3.2Å; W306-E310 PolarHBondContact O-N 2.97Å; E307-E310 PolarHBondContact O-N 3Å; E310-T313 PolarHBondContact O-N 2.93Å; E310-T313 PolarHBondContact O-OG1 2.87Å; E310-G314 PolarHBondContact O-N 2.72Å; E310-G314 VanDerWaalsContact O-N 3.11Å; E310-M315 HydrophobicContact CB-CB 4.44Å; E310-M315 HydrophobicContact CG-CE 4.4Å; E310-M315 PolarHBondContact O-N 2.91Å; E310-A316 HydrophobicContact CB-CB 4.09Å; E310-A316 PolarHBondContact O-N 2.91Å
311R96.9Very high95.8Very high161 Ų16151.9 Ų51.961%0.60828%0.279SS*.Hα-helixtrans-62.1-47.4177-175.5176.761.9-129.6-1.3112.2E307 V308 T313 G314E307-R311 PolarHBondContact O-N 2.89Å; V308-R311 PolarHBondContact O-N 2.77Å; R311-T313 VanDerWaalsContact C-N 3.25Å; R311-T313 PolarHBondContact O-N 3.32Å; R311-G314 PolarHBondContact O-N 3Å
312L96.3Very high95.7Very high27 Ų2753.5 Ų53.514%0.14129%0.287CS..Hα-helixtrans-68.3-25.4-177.1-68.2-177.2000113F133 F137 L142 L181 V308 S309F133-L312 HydrophobicContact CE1-CB 4.18Å; F133-L312 HydrophobicContact CE1-CD1 4.14Å; F133-L312 HydrophobicContact CE1-CD2 3.97Å; F133-L312 HydrophobicContact CE1-CG 4.3Å; F133-L312 HydrophobicContact CZ-CB 3.98Å; F133-L312 HydrophobicContact CZ-CD2 4.37Å; F137-L312 HydrophobicContact CE1-CD1 3.97Å; F137-L312 HydrophobicContact CZ-CD1 4.24Å; L142-L312 HydrophobicContact CD1-CB 4.32Å; L142-L312 HydrophobicContact CD1-CD1 4.41Å; L142-L312 HydrophobicContact CD2-CB 4.31Å; L181-L312 HydrophobicContact CB-CD1 4.34Å; L181-L312 WeakPolarHBondContact O-CD1 3.32Å; V308-L312 HydrophobicContact CG1-CD1 3.72Å; V308-L312 HydrophobicContact CG1-CG 4.08Å; V308-L312 WeakPolarHBondContact O-CB 3.22Å; V308-L312 VanDerWaalsContact O-CG 3.24Å; V308-L312 WeakPolarHBondContact O-CG 3.05Å; V308-L312 PolarHBondContact O-N 3.37Å; S309-L312 PolarHBondContact O-N 3.48Å
313T97.1Very high95.5Very high4 Ų457.2 Ų57.23%0.02531%0.307CS..Hα-helixtrans-95.7-217857.30000113.9L97 R101 L142 F145 L146 S309 E310 R311L97-T313 HydrophobicContact CD1-CG2 4.2Å; L97-T313 HydrophobicContact CD2-CG2 4.23Å; R101-T313 PolarHBondContact NH2-O 3.01Å; L142-T313 HydrophobicContact CB-CG2 4.15Å; L142-T313 HydrophobicContact CD2-CG2 4.08Å; F145-T313 HydrophobicContact CD1-CG2 4.16Å; L146-T313 HydrophobicContact CB-CG2 4.08Å; S309-T313 WeakPolarHBondContact O-CB 3.28Å; S309-T313 WeakPolarHBondContact O-CG2 3.47Å; S309-T313 PolarHBondContact O-N 3.23Å; S309-T313 PolarHBondContact O-OG1 3.39Å; E310-T313 PolarHBondContact O-N 2.93Å; E310-T313 PolarHBondContact O-OG1 2.87Å; R311-T313 VanDerWaalsContact C-N 3.25Å; R311-T313 PolarHBondContact O-N 3.32Å
314G95.2Very high95.2Very high49 Ų4953.2 Ų53.251%0.50530%0.295SS..THydrogen-bonded Turntrans66.743-177.700000112.6R101 E310 R311R101-G314 PolarHBondContact NH2-O 3.48Å; R101-G314 VanDerWaalsContact NH2-O 3.07Å; E310-G314 PolarHBondContact O-N 2.72Å; E310-G314 VanDerWaalsContact O-N 3.11Å; R311-G314 PolarHBondContact O-N 3Å
315M91.9Very high95Very high59 Ų5948.8 Ų48.829%0.29128%0.28SS..  trans-106.9-14.2171-66.7-162.1-61.300113.4F145 L146 N149 E310F145-M315 HydrophobicContact CD1-CE 3.61Å; F145-M315 HydrophobicContact CE1-CE 3.08Å; F145-M315 HydrophobicContact CZ-CE 3.87Å; L146-M315 HydrophobicContact CD1-CE 4.45Å; L146-M315 HydrophobicContact CD1-CG 3.77Å; L146-M315 HydrophobicContact CD1-SD 3.6Å; L146-M315 VanDerWaalsContact CD1-SD 3.6Å; N149-M315 HydrophobicContact CB-CE 3.65Å; N149-M315 HydrophobicContact CB-SD 3.58Å; N149-M315 VanDerWaalsContact CB-SD 3.58Å; E310-M315 HydrophobicContact CB-CB 4.44Å; E310-M315 HydrophobicContact CG-CE 4.4Å; E310-M315 PolarHBondContact O-N 2.91Å
316A73.9Confident94.7Very high127 Ų12753.1 Ų53.1100%1.0531%0.305SS*.  trans-84.10173.900000112.1E310E310-A316 HydrophobicContact CB-CB 4.09Å; E310-A316 PolarHBondContact O-N 2.91Å

Retrieved 316 of 316 residues in 147.3 ms (Link to these results)

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