A0A2K6QHW7_RHIRO Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A2K6QHW7, Species RHIRO (Rhinopithecus roxellana, Golden snub-nosed monkey), Gene RAB5B, Length 215 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
1M40.4Very low43.6Very low231 Ų231145.7 Ų145.7100%1.13883%0.827SS**  087.80-65.8176.8176.100106.8
2T43.3Very low44.3Very low123 Ų123146.8 Ų146.876%0.75582%0.82SS**  68.899.1105.349.90000112.2
3S42.2Very low44.6Very low102 Ų102145.2 Ų145.271%0.71382%0.819SS**  84.4132.6100.375.40000111.8
4R39.6Very low45.3Very low223 Ų223146.7 Ų146.784%0.84282%0.816SS**  cis-162.1128.743.7-81.3172.8173.2-164.2-4.8109.2T6R4-T6 PolarHBondContact O-N 3.26Å
5S42.5Very low46.4Very low125 Ų125143.5 Ų143.587%0.87482%0.816SS**  trans-76.3112.7155.1-67.90000108.2A7S5-A7 PolarHBondContact O-N 3.49Å
6T43.2Very low47.7Very low127 Ų127139.1 Ų139.178%0.77980%0.797SS**  trans-82.193.2165.846.10000108.6R4 R8R4-T6 PolarHBondContact O-N 3.26Å; T6-R8 PolarHBondContact O-N 3.47Å
7A43.1Very low49.9Very low95 Ų95134.3 Ų134.379%0.78577%0.765SS**  trans-63.4126.9164.700000109S5S5-A7 PolarHBondContact O-N 3.49Å
8R46.9Very low52.1Low230 Ų230133.3 Ų133.387%0.86876%0.755SS**  trans-73.2132.9168.4-60.6178.8-171.4-1761.9107.6T6 N10T6-R8 PolarHBondContact O-N 3.47Å; R8-N10 PolarHBondContact O-N 2.96Å; R8-N10 VanDerWaalsContact O-N 3.13Å
9P46.3Very low54.2Low128 Ų128126.8 Ų126.883%0.83172%0.72SS**  trans-71112.9170.128.1-26.5000107.2G11P9-G11 PolarHBondContact O-N 3.13Å
10N42.9Very low56.2Low151 Ų151125.2 Ų125.281%0.80771%0.706SS**  trans-75.680.9175.2-148.227.1000107.7R8 Q12R8-N10 PolarHBondContact O-N 2.96Å; R8-N10 VanDerWaalsContact O-N 3.13Å; N10-Q12 VanDerWaalsContact C-N 3.3Å; N10-Q12 PolarHBondContact O-N 3.01Å
11G49.3Very low58.1Low68 Ų68120.1 Ų120.170%0.70168%0.676SS**  trans-72.586.2170.200000109.1P9P9-G11 PolarHBondContact O-N 3.13Å
12Q51.5Low60.8Low159 Ų159110.9 Ų110.974%0.74363%0.629SS**  trans-57.7127.9163.5-75.3179.7-23.500107.4N10 Q14N10-Q12 VanDerWaalsContact C-N 3.3Å; N10-Q12 PolarHBondContact O-N 3.01Å; Q12-Q14 PolarHBondContact O-N 3.03Å
13P48.7Very low63.3Low125 Ų125105 Ų10581%0.81259%0.593SS**  trans-61.3111.2169.724.4-29.6000106.5A15P13-A15 PolarHBondContact O-N 2.96Å
14Q54.5Low66Low167 Ų167100.1 Ų100.178%0.7856%0.559SS**  trans-56.3117.7172.6-78-169.2-1200106.9Q12 S16Q12-Q14 PolarHBondContact O-N 3.03Å; Q14-S16 PolarHBondContact O-N 2.99Å
15A60.9Low68.7Low99 Ų9989.5 Ų89.582%0.81852%0.519SS*.  trans-60.9111.6175.800000107.4P13 K17P13-A15 PolarHBondContact O-N 2.96Å; A15-K17 PolarHBondContact O-N 3.05Å
16S68.2Low71.3Confident72 Ų7283.6 Ų83.650%0.50348%0.478SS..  trans-56114.5177.153.70000108.7Q14 I18Q14-S16 PolarHBondContact O-N 2.99Å; S16-I18 PolarHBondContact O-N 3.03Å
17K85.3Confident73.8Confident58 Ų5877.6 Ų77.625%0.25244%0.441SS..EExtended strand (participates in β ladder)trans-62.9131.9-179.4-175.9-179.6-178.3-178.80109.2A15 T67 T68 K183 S184A15-K17 PolarHBondContact O-N 3.05Å; K17-T67 HydrophobicContact CB-CG2 4.31Å; K17-T67 CarbonylContact O-C 3.41Å; K17-T67 VanDerWaalsContact O-CA 3.25Å; K17-T67 WeakPolarHBondContact O-CA 3.49Å; K17-T67 VanDerWaalsContact O-CG2 3.3Å; K17-T67 WeakPolarHBondContact O-CG2 3.23Å; K17-T68 PolarHBondContact O-N 3.09Å; K17-K183 PolarHBondContact NZ-O 3.45Å; K17-S184 VanDerWaalsContact NZ-C 3.29Å; K17-S184 PolarHBondContact NZ-O 3.43Å
18I89.6Confident76.3Confident116 Ų11676 Ų7660%0.59542%0.417SS*.EExtended strand (participates in β ladder)trans-104.9120.4176.1-53.4-178.8000108.7S16 T68S16-I18 PolarHBondContact O-N 3.03Å; I18-T68 CarbonylContact C-O 3.58Å; I18-T68 WeakPolarHBondContact CA-O 3.43Å
19C92.1Very high78.5Confident11 Ų1166.6 Ų66.67%0.07439%0.387CS..EExtended strand (participates in β ladder)trans-113.2135.3174.7-63.30000109.6F21 T67 T68 V69 K70C19-F21 HydrophobicContact CB-CD2 4.34Å; C19-F21 HydrophobicContact CB-CE2 3.51Å; C19-F21 HydrophobicContact CB-CZ 3.94Å; C19-T67 HydrophobicContact CB-CG2 4.39Å; C19-T68 PolarHBondContact N-O 3.26Å; C19-V69 CarbonylContact O-C 3.59Å; C19-V69 WeakPolarHBondContact O-CA 3.24Å; C19-K70 PolarHBondContact O-N 2.93Å
20Q94.3Very high80.7Confident94 Ų9464.4 Ų64.444%0.43938%0.38SS..EExtended strand (participates in β ladder)trans-110.2131.5-179.8-170.8169.314.800110.5K70 E72Q20-K70 WeakPolarHBondContact CA-O 3.11Å; Q20-K70 HydrophobicContact CG-CB 4.49Å; Q20-E72 HydrophobicContact CG-CG 4Å; Q20-E72 PolarHBondContact NE2-OE1 3.04Å
21F95.7Very high83.3Confident18 Ų1857.2 Ų57.28%0.07934%0.341CS..EExtended strand (participates in β ladder)trans-134.1135.8-179.5-61.6-78.7000111.2C19 V69 K70 F71 E72 Q94 L181 P182C19-F21 HydrophobicContact CB-CD2 4.34Å; C19-F21 HydrophobicContact CB-CE2 3.51Å; C19-F21 HydrophobicContact CB-CZ 3.94Å; F21-V69 HydrophobicContact CD2-CG1 3.83Å; F21-V69 HydrophobicContact CE2-CG1 4.31Å; F21-V69 HydrophobicContact CE2-CG2 4.3Å; F21-K70 PolarHBondContact N-O 3.49Å; F21-F71 HydrophobicContact CB-CD1 4.48Å; F21-F71 WeakPolarHBondContact O-CA 3.41Å; F21-E72 PolarHBondContact O-N 3.49Å; F21-Q94 HydrophobicContact CD1-CB 3.95Å; F21-Q94 HydrophobicContact CD1-CG 3.98Å; F21-L181 HydrophobicContact CB-CD1 3.93Å; F21-L181 HydrophobicContact CD1-CD1 4.23Å; F21-L181 HydrophobicContact CD1-CD2 4.22Å; F21-L181 HydrophobicContact CD2-CB 4.41Å; F21-L181 HydrophobicContact CD2-CD1 3.78Å; F21-L181 HydrophobicContact CE1-CB 4.25Å; F21-L181 HydrophobicContact CE2-CB 4.11Å; F21-L181 HydrophobicContact CE2-CD1 4.31Å; F21-L181 HydrophobicContact CG-CD1 3.72Å; F21-L181 HydrophobicContact CZ-CB 4.03Å; F21-P182 WeakPolarHBondContact CZ-O 3.16Å
22K96.3Very high85.4Confident37 Ų3754.6 Ų54.616%0.16131%0.314CS..EExtended strand (participates in β ladder)trans-79.4124.5171.2-178.5178.7175-174.50109.3Y89 R91 A93 Q94 A95K22-Y89 WeakPolarHBondContact CE-O 3.45Å; K22-Y89 PolarHBondContact NZ-O 3.28Å; K22-R91 PolarHBondContact NZ-O 3.28Å; K22-A93 HydrophobicContact CD-CB 4.36Å; K22-A93 HydrophobicContact CG-CB 4.17Å; K22-Q94 PolarHBondContact O-N 2.93Å; K22-Q94 PolarHBondContact O-OE1 3.44Å; K22-A95 PolarHBondContact O-N 2.98Å
23L97.2Very high87.6Confident0 Ų047.5 Ų47.50%028%0.281CS..EExtended strand (participates in β ladder)trans-122.1134177.8-176.2151.7000109.1L25 F71 E72 I73 W74 A95 I97 F174 I177L23-L25 HydrophobicContact CD2-CD1 3.64Å; L23-L25 HydrophobicContact CD2-CG 4.39Å; L23-F71 HydrophobicContact CB-CD1 4.02Å; L23-F71 HydrophobicContact CD1-CD1 3.83Å; L23-F71 HydrophobicContact CD1-CE1 3.84Å; L23-F71 HydrophobicContact CD1-CG 4.43Å; L23-F71 HydrophobicContact CD1-CZ 4.44Å; L23-E72 PolarHBondContact N-O 3.1Å; L23-E72 VanDerWaalsContact O-O 3.07Å; L23-I73 HydrophobicContact CD2-CG2 4.11Å; L23-I73 CarbonylContact O-C 3.51Å; L23-I73 WeakPolarHBondContact O-CA 3.41Å; L23-W74 PolarHBondContact O-N 2.95Å; L23-A95 WeakPolarHBondContact CA-O 3.46Å; L23-A95 HydrophobicContact CB-CB 4.34Å; L23-A95 HydrophobicContact CD1-CB 4.06Å; L23-A95 HydrophobicContact CG-CB 4.12Å; L23-I97 HydrophobicContact CD1-CD1 4.06Å; L23-I97 HydrophobicContact CD1-CG1 4.25Å; L23-I97 HydrophobicContact CD2-CD1 3.94Å; L23-I97 HydrophobicContact CD2-CG1 4.1Å; L23-I97 HydrophobicContact CG-CG1 4.43Å; L23-F174 HydrophobicContact CD1-CD1 4.16Å; L23-F174 HydrophobicContact CD1-CE1 4.15Å; L23-F174 HydrophobicContact CD2-CE1 4.27Å; L23-I177 HydrophobicContact CD1-CD1 4.24Å; L23-I177 HydrophobicContact CD1-CG2 4.24Å
24V97.3Very high89.9Confident0 Ų042.5 Ų42.50%025%0.249CC..EExtended strand (participates in β ladder)trans-118140.8177.463.70000110.7L26 W74 T76 A93 A95 A96 I97V24-L26 HydrophobicContact CG2-CD2 4.27Å; V24-L26 HydrophobicContact CG2-CG 4.26Å; V24-W74 HydrophobicContact CB-CB 4.36Å; V24-W74 HydrophobicContact CG2-CB 4.17Å; V24-T76 HydrophobicContact CG2-CG2 3.84Å; V24-A93 HydrophobicContact CG1-CB 4.09Å; V24-A95 PolarHBondContact N-O 3.3Å; V24-A95 VanDerWaalsContact N-O 3.13Å; V24-A96 HydrophobicContact CG1-CB 3.73Å; V24-A96 CarbonylContact O-C 3.47Å; V24-A96 VanDerWaalsContact O-CA 3.31Å; V24-A96 WeakPolarHBondContact O-CA 3.42Å; V24-I97 PolarHBondContact O-N 2.91Å
25L97.3Very high91.9Very high0 Ų035.2 Ų35.20%022%0.216CC..EExtended strand (participates in β ladder)trans-101.5131.9169.8-7287.9000109.8L23 K33 V37 I73 W74 T76 I97 V99L23-L25 HydrophobicContact CD2-CD1 3.64Å; L23-L25 HydrophobicContact CD2-CG 4.39Å; L25-K33 HydrophobicContact CB-CB 4.32Å; L25-K33 HydrophobicContact CB-CD 4.23Å; L25-K33 HydrophobicContact CB-CG 4.48Å; L25-K33 HydrophobicContact CD2-CB 4.02Å; L25-V37 HydrophobicContact CD1-CG2 3.4Å; L25-V37 HydrophobicContact CD2-CG2 3.32Å; L25-V37 HydrophobicContact CG-CG2 3.98Å; L25-I73 HydrophobicContact CD1-CG2 3.29Å; L25-W74 PolarHBondContact N-O 3.48Å; L25-T76 WeakPolarHBondContact O-CG2 3.33Å; L25-T76 PolarHBondContact O-OG1 2.84Å; L25-I97 CarbonylContact C-O 3.59Å; L25-I97 WeakPolarHBondContact CA-O 3.27Å; L25-I97 HydrophobicContact CG-CB 4.3Å; L25-V99 HydrophobicContact CD2-CG2 4.32Å
26L96.7Very high93.6Very high0 Ų030.5 Ų30.50%018%0.177CC..EExtended strand (participates in β ladder)trans-130160.5176.9-64.1171.3000109.8V24 T76 A86 Y90 I97 V98 V99 W114 L118V24-L26 HydrophobicContact CG2-CD2 4.27Å; V24-L26 HydrophobicContact CG2-CG 4.26Å; L26-T76 HydrophobicContact CD2-CG2 4.35Å; L26-A86 HydrophobicContact CD2-CB 4.36Å; L26-Y90 HydrophobicContact CD1-CD1 4.11Å; L26-I97 PolarHBondContact N-O 3.36Å; L26-V98 CarbonylContact O-C 3.6Å; L26-V98 WeakPolarHBondContact O-CA 3.35Å; L26-V99 PolarHBondContact O-N 3.38Å; L26-W114 HydrophobicContact CB-CD2 4.27Å; L26-W114 HydrophobicContact CB-CE3 4.46Å; L26-W114 HydrophobicContact CB-CG 4.4Å; L26-W114 HydrophobicContact CD1-CE3 4.07Å; L26-W114 HydrophobicContact CD1-CZ3 4.47Å; L26-W114 HydrophobicContact CD2-CE3 4.43Å; L26-W114 HydrophobicContact CD2-CH2 4.42Å; L26-W114 HydrophobicContact CD2-CZ3 4.23Å; L26-L118 HydrophobicContact CD1-CD1 4Å; L26-L118 HydrophobicContact CD1-CD2 3.71Å; L26-L118 HydrophobicContact CD1-CG 3.95Å
27G96Very high94.9Very high1 Ų127.1 Ų27.11%0.0115%0.154CC..  trans137.6169.3-176.100000112K33 G78 V99G27-K33 PolarHBondContact O-NZ 2.89Å; G27-G78 VanDerWaalsContact O-CA 3.32Å; G27-G78 WeakPolarHBondContact O-CA 3.32Å; G27-V99 WeakPolarHBondContact CA-O 3.4Å
28E95.1Very high95.4Very high61 Ų6125.2 Ų25.229%0.28515%0.146SC..  trans-64.1164.3-176.4-133.9-49.6-101.300112.6V31 K33 T107E28-V31 HydrophobicContact CB-CG1 3.73Å; E28-V31 WeakPolarHBondContact O-CG2 3.3Å; E28-K33 PolarHBondContact O-NZ 2.76Å; E28-T107 HydrophobicContact CB-CG2 4.24Å
29S93Very high95.7Very high33 Ų3322.1 Ų22.123%0.23113%0.127CC..THydrogen-bonded Turntrans-53.3148.1164.4-163.60000110.8V31S29-V31 PolarHBondContact O-N 2.7Å
30A93.1Very high95.9Very high82 Ų8222.2 Ų22.268%0.67813%0.126SC*.THydrogen-bonded Turntrans57.85.8177.200000117.7G32 K134A30-G32 PolarHBondContact O-N 2.83Å; A30-K134 WeakPolarHBondContact O-CE 3.21Å; A30-K134 PolarHBondContact O-NZ 3.38Å
31V96.3Very high96Very high1 Ų119.3 Ų19.31%0.00612%0.115CC..SBendtrans-69.9-17.8172.2-55.50000112.8E28 S29 K33 V99 D101 T107 N133E28-V31 HydrophobicContact CB-CG1 3.73Å; E28-V31 WeakPolarHBondContact O-CG2 3.3Å; S29-V31 PolarHBondContact O-N 2.7Å; V31-K33 HydrophobicContact CG2-CD 4.43Å; V31-K33 HydrophobicContact CG2-CG 3.72Å; V31-V99 HydrophobicContact CB-CG1 4.36Å; V31-V99 HydrophobicContact CG2-CB 3.93Å; V31-V99 HydrophobicContact CG2-CG1 3.87Å; V31-D101 HydrophobicContact CB-CB 4.5Å; V31-D101 HydrophobicContact CG1-CB 4.43Å; V31-T107 HydrophobicContact CG1-CG2 3.76Å; V31-N133 PolarHBondContact O-ND2 3.34Å
32G95.4Very high95.8Very high13 Ų1324.6 Ų24.613%0.13414%0.138CC..SBendtrans99.625.717400000116.1A30 S35 L36A30-G32 PolarHBondContact O-N 2.83Å; G32-S35 PolarHBondContact O-N 2.78Å; G32-L36 WeakPolarHBondContact O-CB 3.26Å; G32-L36 PolarHBondContact O-N 3.23Å
33K96.4Very high95.7Very high9 Ų925.1 Ų25.14%0.03915%0.153CC..Hα-helixtrans-51-55.8173.7-59.8-175.2-61.3-77.60112.3L25 G27 E28 V31 S35 L36 V37 D75 T76 V99L25-K33 HydrophobicContact CB-CB 4.32Å; L25-K33 HydrophobicContact CB-CD 4.23Å; L25-K33 HydrophobicContact CB-CG 4.48Å; L25-K33 HydrophobicContact CD2-CB 4.02Å; G27-K33 PolarHBondContact O-NZ 2.89Å; E28-K33 PolarHBondContact O-NZ 2.76Å; V31-K33 HydrophobicContact CG2-CD 4.43Å; V31-K33 HydrophobicContact CG2-CG 3.72Å; K33-S35 VanDerWaalsContact C-N 3.34Å; K33-S35 PolarHBondContact O-N 2.95Å; K33-L36 WeakPolarHBondContact O-CB 3.36Å; K33-L36 PolarHBondContact O-N 3.04Å; K33-L36 VanDerWaalsContact O-N 3.11Å; K33-V37 WeakPolarHBondContact O-CG2 3.35Å; K33-V37 PolarHBondContact O-N 2.79Å; K33-D75 WeakPolarHBondContact CB-OD1 3.25Å; K33-T76 WeakPolarHBondContact CE-O 3.25Å; K33-V99 HydrophobicContact CG-CB 3.97Å; K33-V99 HydrophobicContact CG-CG2 3.99Å
34S96.4Very high95.5Very high20 Ų2029.5 Ų29.514%0.1417%0.174CC..Hα-helixtrans-62.1-40-179.2-47.60000112.5L36 V37 L38 T52 D75S34-L36 VanDerWaalsContact C-N 3.34Å; S34-V37 PolarHBondContact O-N 3.07Å; S34-L38 WeakPolarHBondContact O-CB 3.49Å; S34-L38 PolarHBondContact O-N 3.24Å; S34-T52 PolarHBondContact OG-OG1 3.34Å; S34-D75 WeakPolarHBondContact CA-OD2 3.22Å; S34-D75 WeakPolarHBondContact CB-OD2 3.48Å; S34-D75 PolarHBondContact N-OD1 3.15Å; S34-D75 PolarHBondContact OG-OD1 3.03Å; S34-D75 PolarHBondContact OG-OD2 3.16Å
35S96.8Very high95.3Very high14 Ų1432.5 Ų32.510%0.09819%0.187CC..Hα-helixtrans-65.3-37.7175.6-51.40000112G32 K33 R39G32-S35 PolarHBondContact O-N 2.78Å; K33-S35 VanDerWaalsContact C-N 3.34Å; K33-S35 PolarHBondContact O-N 2.95Å; S35-R39 VanDerWaalsContact O-CB 3.27Å; S35-R39 WeakPolarHBondContact O-CB 3.3Å; S35-R39 PolarHBondContact O-N 2.8Å
36L96.6Very high95.1Very high0 Ų036.7 Ų36.70%021%0.207CC..Hα-helixtrans-66.2-45.4177.3-167.472.6000110.9G32 K33 S34 R39 F40 V99 T162 A164 V170 L173G32-L36 WeakPolarHBondContact O-CB 3.26Å; G32-L36 PolarHBondContact O-N 3.23Å; K33-L36 WeakPolarHBondContact O-CB 3.36Å; K33-L36 PolarHBondContact O-N 3.04Å; K33-L36 VanDerWaalsContact O-N 3.11Å; S34-L36 VanDerWaalsContact C-N 3.34Å; L36-R39 PolarHBondContact O-N 2.93Å; L36-F40 PolarHBondContact O-N 2.69Å; L36-V99 HydrophobicContact CD2-CG2 4.23Å; L36-T162 HydrophobicContact CD1-CG2 4.47Å; L36-A164 HydrophobicContact CD1-CB 4.43Å; L36-V170 HydrophobicContact CD1-CB 4.4Å; L36-V170 HydrophobicContact CD1-CG1 4.09Å; L36-V170 HydrophobicContact CD1-CG2 3.71Å; L36-L173 HydrophobicContact CD2-CD2 4.2Å
37V96.1Very high94.6Very high1 Ų142.6 Ų42.61%0.00623%0.234CC..Hα-helixtrans-66.1-45.1176.3-179.20000111.2L25 K33 S34 R39 F40 V41 L58 I73 D75L25-V37 HydrophobicContact CD1-CG2 3.4Å; L25-V37 HydrophobicContact CD2-CG2 3.32Å; L25-V37 HydrophobicContact CG-CG2 3.98Å; K33-V37 WeakPolarHBondContact O-CG2 3.35Å; K33-V37 PolarHBondContact O-N 2.79Å; S34-V37 PolarHBondContact O-N 3.07Å; V37-R39 VanDerWaalsContact C-N 3.27Å; V37-R39 PolarHBondContact O-N 2.8Å; V37-F40 PolarHBondContact O-N 2.67Å; V37-F40 VanDerWaalsContact O-N 3.16Å; V37-V41 HydrophobicContact CG1-CG2 3.83Å; V37-V41 WeakPolarHBondContact O-CB 3.43Å; V37-V41 VanDerWaalsContact O-CG2 3.23Å; V37-V41 WeakPolarHBondContact O-CG2 3.34Å; V37-V41 PolarHBondContact O-N 3.12Å; V37-L58 HydrophobicContact CG1-CB 4.25Å; V37-L58 HydrophobicContact CG1-CD1 3.93Å; V37-L58 HydrophobicContact CG1-CD2 4.08Å; V37-L58 HydrophobicContact CG1-CG 4.3Å; V37-I73 HydrophobicContact CG1-CB 4.49Å; V37-I73 HydrophobicContact CG1-CD1 4.26Å; V37-I73 HydrophobicContact CG1-CG2 3.8Å; V37-I73 HydrophobicContact CG2-CG2 3.87Å; V37-D75 HydrophobicContact CG2-CB 4.37Å
38L95.6Very high94.1Very high19 Ų1952.3 Ų52.310%0.09927%0.272CS..Hα-helixtrans-58.9-41.8176.9-178.469.6000111.3S34 F40 V41 K42 G43 Q44 H46S34-L38 WeakPolarHBondContact O-CB 3.49Å; S34-L38 PolarHBondContact O-N 3.24Å; L38-F40 VanDerWaalsContact C-N 3.34Å; L38-F40 PolarHBondContact O-N 2.75Å; L38-V41 PolarHBondContact O-N 3.31Å; L38-K42 HydrophobicContact CD1-CB 4.12Å; L38-K42 HydrophobicContact CD1-CD 3.66Å; L38-K42 HydrophobicContact CD1-CG 3.98Å; L38-K42 WeakPolarHBondContact O-CA 3.33Å; L38-K42 PolarHBondContact O-N 3.07Å; L38-G43 PolarHBondContact O-N 3.33Å; L38-Q44 CarbonylContact C-O 3.44Å; L38-Q44 HydrophobicContact CD2-CB 4.34Å; L38-Q44 HydrophobicContact CG-CB 4.22Å; L38-H46 WeakPolarHBondContact CD2-ND1 3.33Å
39R96.6Very high93.7Very high51 Ų5153.5 Ų53.519%0.19228%0.277CS..Hα-helixtrans-62.5-43176.7179.358.773.8174.817.1111.4S35 L36 V37 G43 Q44 A164 K165 A167 V170S35-R39 VanDerWaalsContact O-CB 3.27Å; S35-R39 WeakPolarHBondContact O-CB 3.3Å; S35-R39 PolarHBondContact O-N 2.8Å; L36-R39 PolarHBondContact O-N 2.93Å; V37-R39 VanDerWaalsContact C-N 3.27Å; V37-R39 PolarHBondContact O-N 2.8Å; R39-G43 PolarHBondContact NH1-O 3.43Å; R39-G43 WeakPolarHBondContact O-CA 3.25Å; R39-G43 PolarHBondContact O-N 3.47Å; R39-Q44 VanDerWaalsContact CA-O 3.25Å; R39-Q44 WeakPolarHBondContact CA-O 3.19Å; R39-Q44 PolarHBondContact N-O 3.07Å; R39-A164 PolarHBondContact NE-O 2.92Å; R39-A164 PolarHBondContact NH2-O 2.95Å; R39-K165 PolarHBondContact NH2-O 3.39Å; R39-A167 HydrophobicContact CG-CB 4.05Å; R39-V170 HydrophobicContact CB-CG1 4.38Å; R39-V170 HydrophobicContact CG-CB 4.39Å; R39-V170 HydrophobicContact CG-CG1 4.14Å; R39-V170 HydrophobicContact CG-CG2 4.12Å
40F96.3Very high93.5Very high12 Ų1259.9 Ų59.95%0.05330%0.304CS..Hα-helixtrans-69.2-41.9178.6176.9-121.1000113.5L36 V37 L38 Q60 V62 F71 I73 V170 F174L36-F40 PolarHBondContact O-N 2.69Å; V37-F40 PolarHBondContact O-N 2.67Å; V37-F40 VanDerWaalsContact O-N 3.16Å; L38-F40 VanDerWaalsContact C-N 3.34Å; L38-F40 PolarHBondContact O-N 2.75Å; F40-Q60 HydrophobicContact CD1-CB 4.06Å; F40-Q60 HydrophobicContact CD1-CG 3.89Å; F40-Q60 HydrophobicContact CE1-CB 3.57Å; F40-Q60 HydrophobicContact CE1-CG 3.37Å; F40-Q60 HydrophobicContact CE2-CG 4.18Å; F40-Q60 HydrophobicContact CG-CG 4.49Å; F40-Q60 HydrophobicContact CZ-CB 4.19Å; F40-Q60 HydrophobicContact CZ-CG 3.52Å; F40-Q60 PolarHBondContact O-NE2 2.78Å; F40-Q60 VanDerWaalsContact O-NE2 3.15Å; F40-V62 HydrophobicContact CE2-CG2 4.03Å; F40-V62 HydrophobicContact CZ-CG2 3.52Å; F40-F71 HydrophobicContact CE1-CD2 4.3Å; F40-F71 HydrophobicContact CZ-CD2 4.34Å; F40-I73 HydrophobicContact CD1-CD1 3.85Å; F40-I73 HydrophobicContact CE1-CD1 3.91Å; F40-V170 HydrophobicContact CB-CG1 3.89Å; F40-F174 HydrophobicContact CB-CD2 3.86Å; F40-F174 HydrophobicContact CB-CE2 3.51Å; F40-F174 HydrophobicContact CB-CZ 4.14Å; F40-F174 AromaticContact CD1-CD1 3.83Å; F40-F174 HydrophobicContact CD1-CD1 3.83Å; F40-F174 AromaticContact CD1-CD2 3.66Å; F40-F174 HydrophobicContact CD1-CD2 3.66Å; F40-F174 AromaticContact CD1-CE1 3.81Å; F40-F174 HydrophobicContact CD1-CE1 3.81Å; F40-F174 AromaticContact CD1-CE2 3.69Å; F40-F174 HydrophobicContact CD1-CE2 3.69Å; F40-F174 AromaticContact CD1-CG 3.77Å; F40-F174 HydrophobicContact CD1-CG 3.77Å; F40-F174 AromaticContact CD1-CZ 3.76Å; F40-F174 HydrophobicContact CD1-CZ 3.76Å; F40-F174 HydrophobicContact CD2-CB 4.12Å; F40-F174 AromaticContact CD2-CD2 3.4Å; F40-F174 HydrophobicContact CD2-CD2 3.4Å; F40-F174 AromaticContact CD2-CE2 4Å; F40-F174 HydrophobicContact CD2-CE2 4Å; F40-F174 AromaticContact CD2-CG 3.84Å; F40-F174 HydrophobicContact CD2-CG 3.84Å; F40-F174 HydrophobicContact CE1-CB 4.07Å; F40-F174 AromaticContact CE1-CD1 3.6Å; F40-F174 HydrophobicContact CE1-CD1 3.6Å; F40-F174 AromaticContact CE1-CD2 3.98Å; F40-F174 HydrophobicContact CE1-CD2 3.98Å; F40-F174 AromaticContact CE1-CE1 3.99Å; F40-F174 HydrophobicContact CE1-CE1 3.99Å; F40-F174 HydrophobicContact CE1-CE2 4.38Å; F40-F174 AromaticContact CE1-CG 3.61Å; F40-F174 HydrophobicContact CE1-CG 3.61Å; F40-F174 HydrophobicContact CE1-CZ 4.38Å; F40-F174 HydrophobicContact CE2-CB 3.56Å; F40-F174 AromaticContact CE2-CD2 3.77Å; F40-F174 HydrophobicContact CE2-CD2 3.77Å; F40-F174 AromaticContact CE2-CG 3.71Å; F40-F174 HydrophobicContact CE2-CG 3.71Å; F40-F174 HydrophobicContact CG-CD1 4.37Å; F40-F174 AromaticContact CG-CD2 3.34Å; F40-F174 HydrophobicContact CG-CD2 3.34Å; F40-F174 HydrophobicContact CG-CE1 4.42Å; F40-F174 AromaticContact CG-CE2 3.45Å; F40-F174 HydrophobicContact CG-CE2 3.45Å; F40-F174 VanDerWaalsContact CG-CE2 3.45Å; F40-F174 AromaticContact CG-CG 3.87Å; F40-F174 HydrophobicContact CG-CG 3.87Å; F40-F174 HydrophobicContact CG-CZ 4.01Å; F40-F174 HydrophobicContact CZ-CB 3.53Å; F40-F174 AromaticContact CZ-CD1 3.99Å; F40-F174 HydrophobicContact CZ-CD1 3.99Å; F40-F174 HydrophobicContact CZ-CD2 4.04Å; F40-F174 AromaticContact CZ-CG 3.59Å; F40-F174 HydrophobicContact CZ-CG 3.59Å
41V95.1Very high93.3Very high33 Ų3359.6 Ų59.620%0.230%0.296CS..Hα-helixtrans-79.9-45.8-174.9177.90000111.5V37 L38 L58 Q60 I73V37-V41 HydrophobicContact CG1-CG2 3.83Å; V37-V41 WeakPolarHBondContact O-CB 3.43Å; V37-V41 VanDerWaalsContact O-CG2 3.23Å; V37-V41 WeakPolarHBondContact O-CG2 3.34Å; V37-V41 PolarHBondContact O-N 3.12Å; L38-V41 PolarHBondContact O-N 3.31Å; V41-L58 HydrophobicContact CB-CD2 4.39Å; V41-L58 HydrophobicContact CG1-CD2 4.3Å; V41-L58 HydrophobicContact CG2-CB 4.17Å; V41-L58 HydrophobicContact CG2-CD2 4.12Å; V41-Q60 HydrophobicContact CG2-CB 4.02Å; V41-Q60 PolarHBondContact O-NE2 3.09Å; V41-I73 HydrophobicContact CG2-CD1 4.18Å
42K93.3Very high92.9Very high130 Ų13060.8 Ų60.857%0.56530%0.304SS*.Hα-helixtrans-111.9-7-171.2-59.1-164.9-171.9176.10114.1L38 Q44L38-K42 HydrophobicContact CD1-CB 4.12Å; L38-K42 HydrophobicContact CD1-CD 3.66Å; L38-K42 HydrophobicContact CD1-CG 3.98Å; L38-K42 WeakPolarHBondContact O-CA 3.33Å; L38-K42 PolarHBondContact O-N 3.07Å; K42-Q44 HydrophobicContact CB-CB 4.21Å; K42-Q44 HydrophobicContact CB-CG 4.14Å; K42-Q44 PolarHBondContact O-N 3.42Å
43G93Very high92.5Very high47 Ų4766.5 Ų66.549%0.48533%0.33SS..SBendtrans65.719.2-171.900000113L38 R39L38-G43 PolarHBondContact O-N 3.33Å; R39-G43 PolarHBondContact NH1-O 3.43Å; R39-G43 WeakPolarHBondContact O-CA 3.25Å; R39-G43 PolarHBondContact O-N 3.47Å
44Q93Very high92.2Very high92 Ų9266.7 Ų66.743%0.4333%0.334SS..  trans-112.7155.6-174.1-71.6175.2-4.400112.1L38 R39 K42L38-Q44 CarbonylContact C-O 3.44Å; L38-Q44 HydrophobicContact CD2-CB 4.34Å; L38-Q44 HydrophobicContact CG-CB 4.22Å; R39-Q44 VanDerWaalsContact CA-O 3.25Å; R39-Q44 WeakPolarHBondContact CA-O 3.19Å; R39-Q44 PolarHBondContact N-O 3.07Å; K42-Q44 HydrophobicContact CB-CB 4.21Å; K42-Q44 HydrophobicContact CB-CG 4.14Å; K42-Q44 PolarHBondContact O-N 3.42Å
45F94.3Very high91.9Very high63 Ų6367.2 Ų67.228%0.27634%0.34SS..  trans-140.7134.3171.5172.8-96.1000109.3E47 A164 K165F45-E47 HydrophobicContact CE1-CB 4.22Å; F45-A164 HydrophobicContact CD2-CB 4.08Å; F45-A164 WeakPolarHBondContact CD2-O 3.46Å; F45-A164 HydrophobicContact CE2-CB 4.26Å; F45-K165 HydrophobicContact CD1-CB 4.45Å; F45-K165 HydrophobicContact CD1-CG 4.19Å; F45-K165 HydrophobicContact CD2-CB 4.41Å; F45-K165 HydrophobicContact CE1-CB 4.08Å; F45-K165 HydrophobicContact CE1-CD 4.11Å; F45-K165 HydrophobicContact CE1-CG 3.78Å; F45-K165 HydrophobicContact CE2-CB 4.04Å; F45-K165 HydrophobicContact CZ-CB 3.87Å; F45-K165 HydrophobicContact CZ-CD 4.26Å; F45-K165 HydrophobicContact CZ-CG 4.04Å
46H91.5Very high91.7Very high89 Ų8968.3 Ų68.341%0.41235%0.35SS..  trans-113.5128171.7-57.1109.6000108.2L38 Y48L38-H46 WeakPolarHBondContact CD2-ND1 3.33Å; H46-Y48 VanDerWaalsContact C-N 3.27Å; H46-Y48 PolarHBondContact O-N 3.41Å
47E86.3Confident91.6Very high123 Ų12373.2 Ų73.258%0.57537%0.371SS*.SBendtrans-65.9-35.1178.6-169.9144.1-126.400111.4F45 K165F45-E47 HydrophobicContact CE1-CB 4.22Å; E47-K165 IonicContact OE1-NZ 3.9Å; E47-K165 PolarHBondContact OE1-NZ 3.35Å
48Y86.7Confident91.6Very high206 Ų20675 Ų7581%0.80838%0.381SS*.SBendtrans-109.885.1175.6-52.8-72.2000109.4H46H46-Y48 VanDerWaalsContact C-N 3.27Å; H46-Y48 PolarHBondContact O-N 3.41Å
49Q87Confident91.7Very high85 Ų8577 Ų7740%0.39739%0.394SS..PPolyproline II helixtrans-89.1127.4174-175.563.934.700109.5
50E88.3Confident91.6Very high168 Ų16877.3 Ų77.379%0.78540%0.397SS*.PPolyproline II helixtrans-64.9153.1174.4-65.7-173.4161.700111.6T52E50-T52 PolarHBondContact O-N 3.4Å
51S89.6Confident91.5Very high75 Ų7579.4 Ų79.452%0.52441%0.413SS..PPolyproline II helixtrans-65.3127176.3-740000111.1I53S51-I53 PolarHBondContact O-N 2.81Å
52T86.4Confident91.5Very high26 Ų2678.8 Ų78.816%0.1641%0.409CS..PPolyproline II helixtrans-64.1129.1172.9-56.50000110.5S34 E50 A77S34-T52 PolarHBondContact OG-OG1 3.34Å; E50-T52 PolarHBondContact O-N 3.4Å; T52-A77 WeakPolarHBondContact O-CB 3.39Å
53I87.7Confident91.3Very high134 Ų13477.4 Ų77.469%0.68742%0.415SS*.PPolyproline II helixtrans-97.3117.1175.2-61.9175.2000107.9S51 A55S51-I53 PolarHBondContact O-N 2.81Å; I53-A55 PolarHBondContact O-N 3.37Å; I53-A55 VanDerWaalsContact O-N 3.13Å
54G88.9Confident91Very high12 Ų1276.1 Ų76.112%0.12440%0.397CS..SBendtrans70.5-103.5-179.400000112.7A77G54-A77 VanDerWaalsContact O-CB 3.29Å; G54-A77 WeakPolarHBondContact O-CB 3.25Å; G54-A77 PolarHBondContact O-N 2.85Å
55A90.8Very high90.4Very high31 Ų3179.7 Ų79.726%0.25642%0.419SS..EExtended strand (participates in β ladder)trans-151.8146.2173.100000112.1I53 W74 D75 T76 Y89I53-A55 PolarHBondContact O-N 3.37Å; I53-A55 VanDerWaalsContact O-N 3.13Å; A55-W74 HydrophobicContact CB-CE3 4.43Å; A55-D75 CarbonylContact C-O 3.56Å; A55-D75 WeakPolarHBondContact CA-O 3.09Å; A55-T76 HydrophobicContact CB-CG2 4.37Å; A55-Y89 HydrophobicContact CB-CD1 3.93Å; A55-Y89 HydrophobicContact CB-CD2 4.48Å; A55-Y89 HydrophobicContact CB-CE1 3.35Å; A55-Y89 HydrophobicContact CB-CE2 3.97Å; A55-Y89 HydrophobicContact CB-CG 4.48Å
56A93.3Very high89.9Confident37 Ų3782.2 Ų82.231%0.30644%0.436SS..EExtended strand (participates in β ladder)trans-103143.4170.900000110.6L58 D75A56-L58 HydrophobicContact CB-CD1 4.02Å; A56-D75 HydrophobicContact CB-CB 4.34Å; A56-D75 PolarHBondContact N-O 3.49Å; A56-D75 PolarHBondContact O-N 2.83Å
57F94.8Very high89.8Confident104 Ų10478.6 Ų78.646%0.45642%0.42SS..EExtended strand (participates in β ladder)trans-107.5125176.5179.3-100.5000110.2T59 E72 I73 W74F57-T59 HydrophobicContact CE1-CG2 3.62Å; F57-T59 HydrophobicContact CZ-CG2 3.66Å; F57-E72 HydrophobicContact CE2-CB 3.84Å; F57-E72 HydrophobicContact CE2-CG 4.18Å; F57-E72 HydrophobicContact CZ-CB 4.16Å; F57-E72 HydrophobicContact CZ-CG 4.03Å; F57-I73 WeakPolarHBondContact CA-O 3.34Å; F57-W74 HydrophobicContact CD2-CD2 4.19Å; F57-W74 AromaticContact CD2-CE2 3.75Å; F57-W74 HydrophobicContact CD2-CH2 4.41Å; F57-W74 AromaticContact CD2-CZ2 3.89Å; F57-W74 HydrophobicContact CD2-CZ2 3.89Å; F57-W74 AromaticContact CD2-NE1 3.92Å; F57-W74 HydrophobicContact CE2-CZ2 4.23Å; F57-W74 AromaticContact CE2-NE1 3.95Å
58L95.8Very high90Very high39 Ų3973.9 Ų73.920%0.20440%0.399CS..EExtended strand (participates in β ladder)trans-131.3156.5177.2-61.997000109.8V37 V41 A56 I73 D75V37-L58 HydrophobicContact CG1-CB 4.25Å; V37-L58 HydrophobicContact CG1-CD1 3.93Å; V37-L58 HydrophobicContact CG1-CD2 4.08Å; V37-L58 HydrophobicContact CG1-CG 4.3Å; V41-L58 HydrophobicContact CB-CD2 4.39Å; V41-L58 HydrophobicContact CG1-CD2 4.3Å; V41-L58 HydrophobicContact CG2-CB 4.17Å; V41-L58 HydrophobicContact CG2-CD2 4.12Å; A56-L58 HydrophobicContact CB-CD1 4.02Å; L58-I73 HydrophobicContact CB-CB 4.38Å; L58-I73 PolarHBondContact N-O 2.7Å; L58-I73 PolarHBondContact O-N 3.26Å; L58-D75 HydrophobicContact CD1-CB 4.33Å
59T96.3Very high90.4Very high61 Ų6164 Ų6437%0.37436%0.361SS..EExtended strand (participates in β ladder)trans-128.6139.7172.464.40000110.3F57 F71 E72F57-T59 HydrophobicContact CE1-CG2 3.62Å; F57-T59 HydrophobicContact CZ-CG2 3.66Å; T59-F71 VanDerWaalsContact CA-O 3.24Å; T59-F71 WeakPolarHBondContact CA-O 3.47Å; T59-E72 HydrophobicContact CG2-CG 4.49Å
60Q96.1Very high90.8Very high57 Ų5763.3 Ų63.327%0.26636%0.356SS..EExtended strand (participates in β ladder)trans-148.6142.6173.8179.162.7-55.200110.3F40 V41 F71 I73F40-Q60 HydrophobicContact CD1-CB 4.06Å; F40-Q60 HydrophobicContact CD1-CG 3.89Å; F40-Q60 HydrophobicContact CE1-CB 3.57Å; F40-Q60 HydrophobicContact CE1-CG 3.37Å; F40-Q60 HydrophobicContact CE2-CG 4.18Å; F40-Q60 HydrophobicContact CG-CG 4.49Å; F40-Q60 HydrophobicContact CZ-CB 4.19Å; F40-Q60 HydrophobicContact CZ-CG 3.52Å; F40-Q60 PolarHBondContact O-NE2 2.78Å; F40-Q60 VanDerWaalsContact O-NE2 3.15Å; V41-Q60 HydrophobicContact CG2-CB 4.02Å; V41-Q60 PolarHBondContact O-NE2 3.09Å; Q60-F71 PolarHBondContact N-O 3.16Å; Q60-F71 VanDerWaalsContact N-O 3.16Å; Q60-F71 PolarHBondContact O-N 3.33Å; Q60-I73 HydrophobicContact CB-CD1 4.33Å
61S94.4Very high91.3Very high55 Ų5555.3 Ų55.339%0.38532%0.319SS..EExtended strand (participates in β ladder)trans-105.8141.1179-56.10000111.2V69S61-V69 CarbonylContact C-O 3.49Å; S61-V69 VanDerWaalsContact CA-O 3.3Å; S61-V69 WeakPolarHBondContact CA-O 3.43Å
62V93.3Very high91.6Very high20 Ų2054.4 Ų54.412%0.12131%0.306CS..EExtended strand (participates in β ladder)trans-117122.8171.7-177.30000107.8F40 L64 V69 F71 L175F40-V62 HydrophobicContact CE2-CG2 4.03Å; F40-V62 HydrophobicContact CZ-CG2 3.52Å; V62-L64 HydrophobicContact CG1-CD2 4.36Å; V62-V69 PolarHBondContact N-O 3.42Å; V62-V69 PolarHBondContact O-N 3.46Å; V62-F71 HydrophobicContact CG2-CD2 4.12Å; V62-F71 HydrophobicContact CG2-CE2 3.87Å; V62-L175 HydrophobicContact CG1-CD1 3.68Å
63C90.1Very high92.2Very high102 Ų10253.2 Ų53.269%0.68930%0.299SS*.EExtended strand (participates in β ladder)trans-80.6120.5173.6-59.10000109.2
64L86.2Confident92.6Very high19 Ų1950.3 Ų50.310%0.09928%0.279CS..EExtended strand (participates in β ladder)trans-101.6158.1161.7-48.8174.4000107.7V62 D66 T67 V69 L175 A178 K179 K183V62-L64 HydrophobicContact CG1-CD2 4.36Å; L64-D66 VanDerWaalsContact C-N 3.27Å; L64-D66 PolarHBondContact O-N 2.88Å; L64-T67 CarbonylContact C-O 3.43Å; L64-T67 WeakPolarHBondContact CA-O 3.12Å; L64-T67 WeakPolarHBondContact CB-O 3.48Å; L64-T67 PolarHBondContact N-O 3.44Å; L64-T67 CarbonylContact O-C 3.59Å; L64-T67 PolarHBondContact O-N 3.31Å; L64-T67 VanDerWaalsContact O-O 3.11Å; L64-V69 HydrophobicContact CD1-CG2 3.82Å; L64-V69 HydrophobicContact CG-CG2 4.45Å; L64-L175 HydrophobicContact CD2-CD1 3.35Å; L64-A178 HydrophobicContact CD1-CB 4.23Å; L64-A178 HydrophobicContact CD2-CB 4.33Å; L64-K179 HydrophobicContact CD2-CG 4.25Å; L64-K183 HydrophobicContact CD1-CD 4.36Å; L64-K183 VanDerWaalsContact CD1-NZ 3.33Å
65D81Confident92.9Very high168 Ų16850 Ų5090%0.89828%0.275SS*.THydrogen-bonded Turntrans-41.3-51.5-171.3-54.2-41.1000113.5
66D82.7Confident93Very high116 Ų11648.9 Ų48.962%0.6227%0.265SS*.THydrogen-bonded Turntrans-112.13.5-177.8-52.9-37.6000113.9L64L64-D66 VanDerWaalsContact C-N 3.27Å; L64-D66 PolarHBondContact O-N 2.88Å
67T89.3Confident92.9Very high13 Ų1347.7 Ų47.78%0.0826%0.255CS..EExtended strand (participates in β ladder)trans-152.8130-171.6-57.40000112K17 C19 L64 K183K17-T67 HydrophobicContact CB-CG2 4.31Å; K17-T67 CarbonylContact O-C 3.41Å; K17-T67 VanDerWaalsContact O-CA 3.25Å; K17-T67 WeakPolarHBondContact O-CA 3.49Å; K17-T67 VanDerWaalsContact O-CG2 3.3Å; K17-T67 WeakPolarHBondContact O-CG2 3.23Å; C19-T67 HydrophobicContact CB-CG2 4.39Å; L64-T67 CarbonylContact C-O 3.43Å; L64-T67 WeakPolarHBondContact CA-O 3.12Å; L64-T67 WeakPolarHBondContact CB-O 3.48Å; L64-T67 PolarHBondContact N-O 3.44Å; L64-T67 CarbonylContact O-C 3.59Å; L64-T67 PolarHBondContact O-N 3.31Å; L64-T67 VanDerWaalsContact O-O 3.11Å; T67-K183 HydrophobicContact CG2-CD 4.46Å
68T92.4Very high92.2Very high23 Ų2343.3 Ų43.314%0.14124%0.239CC..EExtended strand (participates in β ladder)trans-90.7120.1170.3-57.20000109.8K17 I18 C19K17-T68 PolarHBondContact O-N 3.09Å; I18-T68 CarbonylContact C-O 3.58Å; I18-T68 WeakPolarHBondContact CA-O 3.43Å; C19-T68 PolarHBondContact N-O 3.26Å
69V94.6Very high91.7Very high0 Ų043.5 Ų43.50%024%0.239CC..EExtended strand (participates in β ladder)trans-95.3115.1174.7168.90000109.1C19 F21 S61 V62 L64 F71 A178C19-V69 CarbonylContact O-C 3.59Å; C19-V69 WeakPolarHBondContact O-CA 3.24Å; F21-V69 HydrophobicContact CD2-CG1 3.83Å; F21-V69 HydrophobicContact CE2-CG1 4.31Å; F21-V69 HydrophobicContact CE2-CG2 4.3Å; S61-V69 CarbonylContact C-O 3.49Å; S61-V69 VanDerWaalsContact CA-O 3.3Å; S61-V69 WeakPolarHBondContact CA-O 3.43Å; V62-V69 PolarHBondContact N-O 3.42Å; V62-V69 PolarHBondContact O-N 3.46Å; L64-V69 HydrophobicContact CD1-CG2 3.82Å; L64-V69 HydrophobicContact CG-CG2 4.45Å; V69-F71 HydrophobicContact CG1-CD1 4.3Å; V69-F71 HydrophobicContact CG1-CD2 4.29Å; V69-F71 HydrophobicContact CG1-CE1 3.95Å; V69-F71 HydrophobicContact CG1-CE2 3.94Å; V69-F71 HydrophobicContact CG1-CG 4.47Å; V69-F71 HydrophobicContact CG1-CZ 3.77Å; V69-A178 HydrophobicContact CB-CB 4.08Å; V69-A178 HydrophobicContact CG1-CB 4.01Å; V69-A178 HydrophobicContact CG2-CB 4.13Å
70K95.9Very high90.9Very high70 Ų7047.5 Ų47.530%0.30425%0.253SS..EExtended strand (participates in β ladder)trans-95114.9172.7-174.4-179.4179.7-172.20109.8C19 Q20 F21C19-K70 PolarHBondContact O-N 2.93Å; Q20-K70 WeakPolarHBondContact CA-O 3.11Å; Q20-K70 HydrophobicContact CG-CB 4.49Å; F21-K70 PolarHBondContact N-O 3.49Å
71F97.2Very high90.3Very high0 Ų052.9 Ų52.90%027%0.271CS..EExtended strand (participates in β ladder)trans-85.5131.6172.7-69.8-64.3000111.4F21 L23 F40 T59 Q60 V62 V69 I73 F174 I177 A178 L181F21-F71 HydrophobicContact CB-CD1 4.48Å; F21-F71 WeakPolarHBondContact O-CA 3.41Å; L23-F71 HydrophobicContact CB-CD1 4.02Å; L23-F71 HydrophobicContact CD1-CD1 3.83Å; L23-F71 HydrophobicContact CD1-CE1 3.84Å; L23-F71 HydrophobicContact CD1-CG 4.43Å; L23-F71 HydrophobicContact CD1-CZ 4.44Å; F40-F71 HydrophobicContact CE1-CD2 4.3Å; F40-F71 HydrophobicContact CZ-CD2 4.34Å; T59-F71 VanDerWaalsContact CA-O 3.24Å; T59-F71 WeakPolarHBondContact CA-O 3.47Å; Q60-F71 PolarHBondContact N-O 3.16Å; Q60-F71 VanDerWaalsContact N-O 3.16Å; Q60-F71 PolarHBondContact O-N 3.33Å; V62-F71 HydrophobicContact CG2-CD2 4.12Å; V62-F71 HydrophobicContact CG2-CE2 3.87Å; V69-F71 HydrophobicContact CG1-CD1 4.3Å; V69-F71 HydrophobicContact CG1-CD2 4.29Å; V69-F71 HydrophobicContact CG1-CE1 3.95Å; V69-F71 HydrophobicContact CG1-CE2 3.94Å; V69-F71 HydrophobicContact CG1-CG 4.47Å; V69-F71 HydrophobicContact CG1-CZ 3.77Å; F71-I73 HydrophobicContact CB-CD1 4.18Å; F71-I73 HydrophobicContact CB-CG1 3.73Å; F71-F174 HydrophobicContact CD2-CD1 4.4Å; F71-F174 HydrophobicContact CE2-CB 4.23Å; F71-F174 HydrophobicContact CE2-CD1 4.38Å; F71-I177 HydrophobicContact CE1-CG2 4.08Å; F71-I177 HydrophobicContact CZ-CB 4.44Å; F71-I177 HydrophobicContact CZ-CG2 4.1Å; F71-A178 HydrophobicContact CE2-CB 4.11Å; F71-A178 HydrophobicContact CZ-CB 3.81Å; F71-L181 HydrophobicContact CE1-CD1 3.72Å; F71-L181 HydrophobicContact CZ-CD1 4.32Å
72E97.3Very high89.9Confident56 Ų5652.4 Ų52.426%0.26226%0.261SS..EExtended strand (participates in β ladder)trans-98.496.6163-72.4-170.7148.300108.5Q20 F21 L23 F57 T59Q20-E72 HydrophobicContact CG-CG 4Å; Q20-E72 PolarHBondContact NE2-OE1 3.04Å; F21-E72 PolarHBondContact O-N 3.49Å; L23-E72 PolarHBondContact N-O 3.1Å; L23-E72 VanDerWaalsContact O-O 3.07Å; F57-E72 HydrophobicContact CE2-CB 3.84Å; F57-E72 HydrophobicContact CE2-CG 4.18Å; F57-E72 HydrophobicContact CZ-CB 4.16Å; F57-E72 HydrophobicContact CZ-CG 4.03Å; T59-E72 HydrophobicContact CG2-CG 4.49Å
73I97.4Very high89.5Confident0 Ų055.6 Ų55.60%028%0.275CS..EExtended strand (participates in β ladder)trans-93.5120.8-168.2-54.6173.5000109.8L23 L25 V37 F40 V41 F57 L58 Q60 F71 F174L23-I73 HydrophobicContact CD2-CG2 4.11Å; L23-I73 CarbonylContact O-C 3.51Å; L23-I73 WeakPolarHBondContact O-CA 3.41Å; L25-I73 HydrophobicContact CD1-CG2 3.29Å; V37-I73 HydrophobicContact CG1-CB 4.49Å; V37-I73 HydrophobicContact CG1-CD1 4.26Å; V37-I73 HydrophobicContact CG1-CG2 3.8Å; V37-I73 HydrophobicContact CG2-CG2 3.87Å; F40-I73 HydrophobicContact CD1-CD1 3.85Å; F40-I73 HydrophobicContact CE1-CD1 3.91Å; V41-I73 HydrophobicContact CG2-CD1 4.18Å; F57-I73 WeakPolarHBondContact CA-O 3.34Å; L58-I73 HydrophobicContact CB-CB 4.38Å; L58-I73 PolarHBondContact N-O 2.7Å; L58-I73 PolarHBondContact O-N 3.26Å; Q60-I73 HydrophobicContact CB-CD1 4.33Å; F71-I73 HydrophobicContact CB-CD1 4.18Å; F71-I73 HydrophobicContact CB-CG1 3.73Å; I73-F174 HydrophobicContact CD1-CE1 4.27Å
74W96.7Very high89.4Confident73 Ų7355.3 Ų55.328%0.27727%0.274SS..EExtended strand (participates in β ladder)trans-101.3100.1171.9-66.481000109.2L23 V24 L25 A55 F57 T76 Y89L23-W74 PolarHBondContact O-N 2.95Å; V24-W74 HydrophobicContact CB-CB 4.36Å; V24-W74 HydrophobicContact CG2-CB 4.17Å; L25-W74 PolarHBondContact N-O 3.48Å; A55-W74 HydrophobicContact CB-CE3 4.43Å; F57-W74 HydrophobicContact CD2-CD2 4.19Å; F57-W74 AromaticContact CD2-CE2 3.75Å; F57-W74 HydrophobicContact CD2-CH2 4.41Å; F57-W74 AromaticContact CD2-CZ2 3.89Å; F57-W74 HydrophobicContact CD2-CZ2 3.89Å; F57-W74 AromaticContact CD2-NE1 3.92Å; F57-W74 HydrophobicContact CE2-CZ2 4.23Å; F57-W74 AromaticContact CE2-NE1 3.95Å; W74-T76 PolarHBondContact O-N 3.5Å; W74-Y89 AromaticContact CE3-CD1 3.73Å; W74-Y89 HydrophobicContact CE3-CD1 3.73Å; W74-Y89 HydrophobicContact CE3-CE1 4.08Å; W74-Y89 HydrophobicContact CZ3-CD1 4.15Å; W74-Y89 HydrophobicContact CZ3-CE1 4.18Å
75D95.6Very high89.5Confident6 Ų657.5 Ų57.53%0.03229%0.285CS..EExtended strand (participates in β ladder)trans-84.7104.8172.6176.741.9000109.3K33 S34 V37 A55 A56 L58K33-D75 WeakPolarHBondContact CB-OD1 3.25Å; S34-D75 WeakPolarHBondContact CA-OD2 3.22Å; S34-D75 WeakPolarHBondContact CB-OD2 3.48Å; S34-D75 PolarHBondContact N-OD1 3.15Å; S34-D75 PolarHBondContact OG-OD1 3.03Å; S34-D75 PolarHBondContact OG-OD2 3.16Å; V37-D75 HydrophobicContact CG2-CB 4.37Å; A55-D75 CarbonylContact C-O 3.56Å; A55-D75 WeakPolarHBondContact CA-O 3.09Å; A56-D75 HydrophobicContact CB-CB 4.34Å; A56-D75 PolarHBondContact N-O 3.49Å; A56-D75 PolarHBondContact O-N 2.83Å; L58-D75 HydrophobicContact CD1-CB 4.33Å
76T93.8Very high89.9Confident7 Ų749.7 Ų49.74%0.04325%0.245CC..EExtended strand (participates in β ladder)trans-90.1153.1-176.476.40000111.9V24 L25 L26 K33 A55 W74 Y89V24-T76 HydrophobicContact CG2-CG2 3.84Å; L25-T76 WeakPolarHBondContact O-CG2 3.33Å; L25-T76 PolarHBondContact O-OG1 2.84Å; L26-T76 HydrophobicContact CD2-CG2 4.35Å; K33-T76 WeakPolarHBondContact CE-O 3.25Å; A55-T76 HydrophobicContact CB-CG2 4.37Å; W74-T76 PolarHBondContact O-N 3.5Å; T76-Y89 HydrophobicContact CG2-CD2 3.64Å; T76-Y89 HydrophobicContact CG2-CE2 4.35Å; T76-Y89 HydrophobicContact CG2-CG 3.79Å
77A89.8Confident90.3Very high12 Ų1246.4 Ų46.410%0.09923%0.23CC..  trans-58.9140.2165.900000109.9T52 G54 Y82T52-A77 WeakPolarHBondContact O-CB 3.39Å; G54-A77 VanDerWaalsContact O-CB 3.29Å; G54-A77 WeakPolarHBondContact O-CB 3.25Å; G54-A77 PolarHBondContact O-N 2.85Å; A77-Y82 HydrophobicContact CB-CD2 3.42Å; A77-Y82 VanDerWaalsContact CB-CD2 3.42Å; A77-Y82 HydrophobicContact CB-CE2 4.09Å; A77-Y82 HydrophobicContact CB-CG 3.99Å
78G81.1Confident90.5Very high12 Ų1251.1 Ų51.112%0.12425%0.252CS..  trans-86.2-20.1173.600000113.8G27G27-G78 VanDerWaalsContact O-CA 3.32Å; G27-G78 WeakPolarHBondContact O-CA 3.32Å
79Q84.8Confident90.5Very high44 Ų4451.2 Ų51.221%0.20625%0.25CC..SBendtrans-62.3137.6-174.5-57.5175.122.100111.5R81 Y82Q79-R81 HydrophobicContact CB-CG 3.97Å; Q79-R81 PolarHBondContact O-N 3.16Å; Q79-R81 VanDerWaalsContact O-N 3.15Å; Q79-R81 VanDerWaalsContact OE1-CD 3.3Å; Q79-Y82 HydrophobicContact CB-CD2 4.01Å; Q79-Y82 HydrophobicContact CB-CE2 4.37Å; Q79-Y82 PolarHBondContact O-N 2.84Å
80E78.8Confident90.4Very high144 Ų14451.5 Ų51.567%0.67325%0.251SS*.G310 helixtrans-56.1-33.2-177.270.4-66.7158.900113.1Y82 H83E80-Y82 PolarHBondContact O-N 2.79Å; E80-Y82 VanDerWaalsContact O-N 3.07Å; E80-H83 WeakPolarHBondContact O-CB 3.27Å; E80-H83 PolarHBondContact O-N 2.98Å
81R85.2Confident90.3Very high171 Ų17157.7 Ų57.765%0.64527%0.272SS*.G310 helixtrans-58.6-21.1175.767.1-178-64.4175.90.2114.1Q79Q79-R81 HydrophobicContact CB-CG 3.97Å; Q79-R81 PolarHBondContact O-N 3.16Å; Q79-R81 VanDerWaalsContact O-N 3.15Å; Q79-R81 VanDerWaalsContact OE1-CD 3.3Å
82Y85.3Confident89.9Confident44 Ų4459.8 Ų59.817%0.17329%0.294CS..G310 helixtrans-103.31.7176.8-57.5-65.7000113A77 Q79 E80 S84 L85A77-Y82 HydrophobicContact CB-CD2 3.42Å; A77-Y82 VanDerWaalsContact CB-CD2 3.42Å; A77-Y82 HydrophobicContact CB-CE2 4.09Å; A77-Y82 HydrophobicContact CB-CG 3.99Å; Q79-Y82 HydrophobicContact CB-CD2 4.01Å; Q79-Y82 HydrophobicContact CB-CE2 4.37Å; Q79-Y82 PolarHBondContact O-N 2.84Å; E80-Y82 PolarHBondContact O-N 2.79Å; E80-Y82 VanDerWaalsContact O-N 3.07Å; Y82-S84 VanDerWaalsContact C-N 3.28Å; Y82-S84 PolarHBondContact O-N 2.81Å; Y82-L85 HydrophobicContact CD1-CD1 4Å; Y82-L85 VanDerWaalsContact O-CB 3.32Å; Y82-L85 WeakPolarHBondContact O-CB 3.35Å; Y82-L85 PolarHBondContact O-N 2.93Å
83H84.7Confident89.8Confident87 Ų8757.2 Ų57.240%0.40328%0.283SS..G310 helixtrans-58.1-38.4-177.4179.370.8000112.5E80 L85 A86 W114 E117E80-H83 WeakPolarHBondContact O-CB 3.27Å; E80-H83 PolarHBondContact O-N 2.98Å; H83-L85 PolarHBondContact O-N 2.86Å; H83-L85 VanDerWaalsContact O-N 3.11Å; H83-A86 VanDerWaalsContact O-CB 3.28Å; H83-A86 WeakPolarHBondContact O-CB 3.37Å; H83-A86 PolarHBondContact O-N 2.9Å; H83-W114 AromaticContact CE1-CH2 3.48Å; H83-W114 VanDerWaalsContact CE1-CH2 3.48Å; H83-W114 WeakPolarHBondContact CE1-CH2 3.08Å; H83-W114 AromaticContact CE1-CZ2 3.96Å; H83-W114 AromaticContact CE1-CZ3 3.78Å; H83-W114 AromaticContact ND1-CH2 3.01Å; H83-W114 WeakPolarHBondContact ND1-CH2 3.32Å; H83-W114 AromaticContact ND1-CZ2 3.35Å; H83-W114 WeakPolarHBondContact ND1-CZ2 3.16Å; H83-W114 AromaticContact ND1-CZ3 3.8Å; H83-E117 IonicContact CE1-OE2 3.43Å; H83-E117 PolarHBondContact CE1-OE2 2.82Å; H83-E117 IonicContact NE2-OE2 3.93Å
84S87.6Confident89.8Confident97 Ų9760.8 Ų60.868%0.67830%0.299SS*.G310 helixtrans-63.1-17.2176.558.70000114.1Y82Y82-S84 VanDerWaalsContact C-N 3.28Å; Y82-S84 PolarHBondContact O-N 2.81Å
85L89.4Confident89.8Confident64 Ų6457.3 Ų57.334%0.33529%0.286SS..G310 helixtrans-86.6-19.1175-57.1-179.7000112.2Y82 H83 P87 M88 Y89Y82-L85 HydrophobicContact CD1-CD1 4Å; Y82-L85 VanDerWaalsContact O-CB 3.32Å; Y82-L85 WeakPolarHBondContact O-CB 3.35Å; Y82-L85 PolarHBondContact O-N 2.93Å; H83-L85 PolarHBondContact O-N 2.86Å; H83-L85 VanDerWaalsContact O-N 3.11Å; L85-P87 VanDerWaalsContact C-CD 3.41Å; L85-P87 VanDerWaalsContact C-N 3.32Å; L85-P87 VanDerWaalsContact O-N 3.15Å; L85-M88 HydrophobicContact CB-SD 3.85Å; L85-M88 HydrophobicContact CD2-SD 3.99Å; L85-M88 HydrophobicContact CG-SD 4.39Å; L85-M88 WeakPolarHBondContact O-CB 3.17Å; L85-M88 WeakPolarHBondContact O-CG 3.18Å; L85-M88 PolarHBondContact O-N 3.4Å; L85-Y89 HydrophobicContact CB-CE2 3.86Å
86A88.6Confident89.9Confident5 Ų557 Ų574%0.04128%0.284CS..Hα-helixtrans-51.5-41.5-175.900000114.5L26 H83 M88 Y89 Y90 W114L26-A86 HydrophobicContact CD2-CB 4.36Å; H83-A86 VanDerWaalsContact O-CB 3.28Å; H83-A86 WeakPolarHBondContact O-CB 3.37Å; H83-A86 PolarHBondContact O-N 2.9Å; A86-M88 PolarHBondContact O-N 3.03Å; A86-M88 VanDerWaalsContact O-N 3.15Å; A86-Y89 PolarHBondContact O-N 2.94Å; A86-Y90 VanDerWaalsContact C-CE1 3.47Å; A86-Y90 HydrophobicContact CB-CD1 4.47Å; A86-Y90 HydrophobicContact CB-CE1 4.19Å; A86-Y90 WeakPolarHBondContact O-CD1 3.27Å; A86-Y90 WeakPolarHBondContact O-CE1 3.44Å; A86-Y90 PolarHBondContact O-N 3.43Å; A86-W114 HydrophobicContact CB-CH2 3.44Å; A86-W114 VanDerWaalsContact CB-CH2 3.44Å; A86-W114 HydrophobicContact CB-CZ3 3.53Å
87P91.7Very high90.1Very high47 Ų4756.7 Ų56.731%0.30528%0.282SS..Hα-helixtrans-56.6-30.8175.9-24.633.7000114.8L85 Y89 Y90 R91L85-P87 VanDerWaalsContact C-CD 3.41Å; L85-P87 VanDerWaalsContact C-N 3.32Å; L85-P87 VanDerWaalsContact O-N 3.15Å; P87-Y89 VanDerWaalsContact C-N 3.3Å; P87-Y89 PolarHBondContact O-N 3.34Å; P87-Y90 VanDerWaalsContact CA-CE1 3.47Å; P87-Y90 HydrophobicContact CB-CE1 4.36Å; P87-Y90 HydrophobicContact CB-CE2 4.41Å; P87-Y90 HydrophobicContact CG-CE1 4.35Å; P87-Y90 WeakPolarHBondContact CG-OH 3.44Å; P87-R91 VanDerWaalsContact O-CB 3.31Å; P87-R91 WeakPolarHBondContact O-CB 3.45Å; P87-R91 PolarHBondContact O-N 2.82Å
88M92.4Very high90.5Very high111 Ų11156.1 Ų56.155%0.54728%0.278SS..Hα-helixtrans-69.1-32.2177.792.2-166.6-93.600111.7L85 A86L85-M88 HydrophobicContact CB-SD 3.85Å; L85-M88 HydrophobicContact CD2-SD 3.99Å; L85-M88 HydrophobicContact CG-SD 4.39Å; L85-M88 WeakPolarHBondContact O-CB 3.17Å; L85-M88 WeakPolarHBondContact O-CG 3.18Å; L85-M88 PolarHBondContact O-N 3.4Å; A86-M88 PolarHBondContact O-N 3.03Å; A86-M88 VanDerWaalsContact O-N 3.15Å
89Y92Very high91.3Very high26 Ų2655.5 Ų55.510%0.10227%0.272CS..Hα-helixtrans-82.2-45.2-174.4-63.5-56.4000112.2K22 A55 W74 T76 L85 A86 P87 R91K22-Y89 WeakPolarHBondContact CE-O 3.45Å; K22-Y89 PolarHBondContact NZ-O 3.28Å; A55-Y89 HydrophobicContact CB-CD1 3.93Å; A55-Y89 HydrophobicContact CB-CD2 4.48Å; A55-Y89 HydrophobicContact CB-CE1 3.35Å; A55-Y89 HydrophobicContact CB-CE2 3.97Å; A55-Y89 HydrophobicContact CB-CG 4.48Å; W74-Y89 AromaticContact CE3-CD1 3.73Å; W74-Y89 HydrophobicContact CE3-CD1 3.73Å; W74-Y89 HydrophobicContact CE3-CE1 4.08Å; W74-Y89 HydrophobicContact CZ3-CD1 4.15Å; W74-Y89 HydrophobicContact CZ3-CE1 4.18Å; T76-Y89 HydrophobicContact CG2-CD2 3.64Å; T76-Y89 HydrophobicContact CG2-CE2 4.35Å; T76-Y89 HydrophobicContact CG2-CG 3.79Å; L85-Y89 HydrophobicContact CB-CE2 3.86Å; A86-Y89 PolarHBondContact O-N 2.94Å; P87-Y89 VanDerWaalsContact C-N 3.3Å; P87-Y89 PolarHBondContact O-N 3.34Å; Y89-R91 VanDerWaalsContact C-N 3.32Å; Y89-R91 PolarHBondContact O-N 2.86Å
90Y93Very high91.9Very high5 Ų553.4 Ų53.42%0.0226%0.262CS..Hα-helixtrans-81.1-9.2178.963.3-111.9000113.9L26 A86 P87 G92 A93 E117 L118 Q121 A122L26-Y90 HydrophobicContact CD1-CD1 4.11Å; A86-Y90 VanDerWaalsContact C-CE1 3.47Å; A86-Y90 HydrophobicContact CB-CD1 4.47Å; A86-Y90 HydrophobicContact CB-CE1 4.19Å; A86-Y90 WeakPolarHBondContact O-CD1 3.27Å; A86-Y90 WeakPolarHBondContact O-CE1 3.44Å; A86-Y90 PolarHBondContact O-N 3.43Å; P87-Y90 VanDerWaalsContact CA-CE1 3.47Å; P87-Y90 HydrophobicContact CB-CE1 4.36Å; P87-Y90 HydrophobicContact CB-CE2 4.41Å; P87-Y90 HydrophobicContact CG-CE1 4.35Å; P87-Y90 WeakPolarHBondContact CG-OH 3.44Å; Y90-G92 PolarHBondContact O-N 2.86Å; Y90-G92 VanDerWaalsContact O-N 3.17Å; Y90-A93 VanDerWaalsContact O-CB 3.32Å; Y90-A93 WeakPolarHBondContact O-CB 3.35Å; Y90-A93 PolarHBondContact O-N 3.23Å; Y90-E117 PolarHBondContact OH-OE1 2.77Å; Y90-L118 HydrophobicContact CD1-CD2 4.06Å; Y90-L118 HydrophobicContact CD2-CD2 4.31Å; Y90-L118 HydrophobicContact CG-CD2 3.85Å; Y90-Q121 HydrophobicContact CE2-CB 3.96Å; Y90-Q121 PolarHBondContact OH-OE1 3.27Å; Y90-A122 HydrophobicContact CD2-CB 4.09Å
91R93.2Very high92.9Very high200 Ų20047.1 Ų47.176%0.75523%0.233SC*.THydrogen-bonded Turntrans-58.2122.1173.8-175.3178.2-17998.50110.6K22 P87 Y89 A93K22-R91 PolarHBondContact NZ-O 3.28Å; P87-R91 VanDerWaalsContact O-CB 3.31Å; P87-R91 WeakPolarHBondContact O-CB 3.45Å; P87-R91 PolarHBondContact O-N 2.82Å; Y89-R91 VanDerWaalsContact C-N 3.32Å; Y89-R91 PolarHBondContact O-N 2.86Å; R91-A93 PolarHBondContact O-N 2.89Å
92G90.8Very high93.5Very high45 Ų4539 Ų3946%0.46420%0.202SC..THydrogen-bonded Turntrans71.210.1-178.900000114.7Y90Y90-G92 PolarHBondContact O-N 2.86Å; Y90-G92 VanDerWaalsContact O-N 3.17Å
93A95.1Very high94Very high2 Ų238.5 Ų38.52%0.01720%0.204CC..  trans-72.9136.217200000110.4K22 V24 Y90 R91 I126K22-A93 HydrophobicContact CD-CB 4.36Å; K22-A93 HydrophobicContact CG-CB 4.17Å; V24-A93 HydrophobicContact CG1-CB 4.09Å; Y90-A93 VanDerWaalsContact O-CB 3.32Å; Y90-A93 WeakPolarHBondContact O-CB 3.35Å; Y90-A93 PolarHBondContact O-N 3.23Å; R91-A93 PolarHBondContact O-N 2.89Å; A93-I126 HydrophobicContact CB-CD1 4.37Å
94Q96.1Very high94.6Very high74 Ų7437.5 Ų37.535%0.34620%0.201SC..SBendtrans-90.7-19.3175.1-60.589.4-13.700112F21 K22 V127 L181F21-Q94 HydrophobicContact CD1-CB 3.95Å; F21-Q94 HydrophobicContact CD1-CG 3.98Å; K22-Q94 PolarHBondContact O-N 2.93Å; K22-Q94 PolarHBondContact O-OE1 3.44Å; Q94-V127 PolarHBondContact O-N 2.77Å; Q94-L181 HydrophobicContact CB-CD2 3.86Å; Q94-L181 WeakPolarHBondContact O-CD2 3.35Å
95A96.9Very high95Very high0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans-136.1149.7173.500000111.8K22 L23 V24 V127 I177 L181K22-A95 PolarHBondContact O-N 2.98Å; L23-A95 WeakPolarHBondContact CA-O 3.46Å; L23-A95 HydrophobicContact CB-CB 4.34Å; L23-A95 HydrophobicContact CD1-CB 4.06Å; L23-A95 HydrophobicContact CG-CB 4.12Å; V24-A95 PolarHBondContact N-O 3.3Å; V24-A95 VanDerWaalsContact N-O 3.13Å; A95-V127 CarbonylContact C-O 3.58Å; A95-V127 VanDerWaalsContact CA-O 3.25Å; A95-V127 WeakPolarHBondContact CA-O 3.08Å; A95-I177 HydrophobicContact CB-CG2 3.62Å; A95-L181 HydrophobicContact CB-CD1 4.45Å; A95-L181 HydrophobicContact CB-CD2 4.34Å
96A97.4Very high95.3Very high0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-135.1139170.400000110.4V24 L118 I126 V127 I128 A129V24-A96 HydrophobicContact CG1-CB 3.73Å; V24-A96 CarbonylContact O-C 3.47Å; V24-A96 VanDerWaalsContact O-CA 3.31Å; V24-A96 WeakPolarHBondContact O-CA 3.42Å; A96-L118 HydrophobicContact CB-CD1 3.63Å; A96-L118 HydrophobicContact CB-CD2 4.18Å; A96-I126 HydrophobicContact CB-CD1 3.87Å; A96-V127 PolarHBondContact N-O 3.44Å; A96-I128 WeakPolarHBondContact O-CA 3.29Å; A96-A129 PolarHBondContact O-N 3.47Å
97I98.1Very high95.8Very high0 Ų038.9 Ų38.90%020%0.195CC..EExtended strand (participates in β ladder)trans-110.7117.2169.6-54.5177.9000107.9L23 V24 L25 L26 V99 A129 A131 L173 F174 I177L23-I97 HydrophobicContact CD1-CD1 4.06Å; L23-I97 HydrophobicContact CD1-CG1 4.25Å; L23-I97 HydrophobicContact CD2-CD1 3.94Å; L23-I97 HydrophobicContact CD2-CG1 4.1Å; L23-I97 HydrophobicContact CG-CG1 4.43Å; V24-I97 PolarHBondContact O-N 2.91Å; L25-I97 CarbonylContact C-O 3.59Å; L25-I97 WeakPolarHBondContact CA-O 3.27Å; L25-I97 HydrophobicContact CG-CB 4.3Å; L26-I97 PolarHBondContact N-O 3.36Å; I97-V99 HydrophobicContact CG2-CG2 3.8Å; I97-A129 CarbonylContact C-O 3.54Å; I97-A129 WeakPolarHBondContact CA-O 3.13Å; I97-A129 HydrophobicContact CG1-CB 4.48Å; I97-A131 HydrophobicContact CG2-CB 3.93Å; I97-L173 HydrophobicContact CD1-CD2 4.17Å; I97-L173 HydrophobicContact CD1-CG 4.44Å; I97-L173 HydrophobicContact CG2-CD2 4.11Å; I97-F174 HydrophobicContact CD1-CD1 4.14Å; I97-F174 HydrophobicContact CD1-CE1 3.56Å; I97-F174 HydrophobicContact CD1-CZ 3.79Å; I97-I177 HydrophobicContact CD1-CD1 3.65Å; I97-I177 HydrophobicContact CG1-CD1 3.56Å
98V97.9Very high96.1Very high0 Ų036.7 Ų36.70%018%0.181CC..EExtended strand (participates in β ladder)trans-96115.8171.9-173.70000108L26 A111 W114 V115 L118 I128 A129 L130 A131L26-V98 CarbonylContact O-C 3.6Å; L26-V98 WeakPolarHBondContact O-CA 3.35Å; V98-A111 HydrophobicContact CG1-CB 3.6Å; V98-W114 HydrophobicContact CG1-CB 3.89Å; V98-W114 HydrophobicContact CG2-CB 4.38Å; V98-V115 HydrophobicContact CB-CG2 4.35Å; V98-V115 HydrophobicContact CG1-CG2 4.41Å; V98-V115 HydrophobicContact CG2-CG2 4.02Å; V98-L118 HydrophobicContact CG2-CD1 3.7Å; V98-I128 HydrophobicContact CG2-CG2 4.23Å; V98-A129 PolarHBondContact N-O 3.11Å; V98-L130 HydrophobicContact CB-CD1 4.34Å; V98-L130 HydrophobicContact CG1-CD1 4.39Å; V98-L130 CarbonylContact O-C 3.56Å; V98-L130 WeakPolarHBondContact O-CA 3.43Å; V98-A131 PolarHBondContact O-N 2.9Å
99V98.3Very high96.3Very high0 Ų033.8 Ų33.80%018%0.175CC..EExtended strand (participates in β ladder)trans-105.3135.1-175.5-170.10000110.1L25 L26 G27 V31 K33 L36 I97 A131 N133L25-V99 HydrophobicContact CD2-CG2 4.32Å; L26-V99 PolarHBondContact O-N 3.38Å; G27-V99 WeakPolarHBondContact CA-O 3.4Å; V31-V99 HydrophobicContact CB-CG1 4.36Å; V31-V99 HydrophobicContact CG2-CB 3.93Å; V31-V99 HydrophobicContact CG2-CG1 3.87Å; K33-V99 HydrophobicContact CG-CB 3.97Å; K33-V99 HydrophobicContact CG-CG2 3.99Å; L36-V99 HydrophobicContact CD2-CG2 4.23Å; I97-V99 HydrophobicContact CG2-CG2 3.8Å; V99-A131 WeakPolarHBondContact CA-O 3.43Å; V99-A131 HydrophobicContact CG2-CB 4.38Å; V99-N133 HydrophobicContact CG1-CB 3.75Å
100Y98.4Very high96.5Very high0 Ų038.8 Ų38.80%019%0.193CC..EExtended strand (participates in β ladder)trans-128.8167.5167.673.2-83.9000110.7I102 F108 L130 A131 N133 V143 A148 F159Y100-I102 HydrophobicContact CE2-CG2 3.99Å; Y100-F108 AromaticContact CD1-CD2 3.91Å; Y100-F108 HydrophobicContact CD1-CD2 3.91Å; Y100-F108 HydrophobicContact CD2-CB 3.82Å; Y100-F108 HydrophobicContact CD2-CD2 4Å; Y100-F108 HydrophobicContact CD2-CG 4.24Å; Y100-F108 AromaticContact CE1-CD2 3.94Å; Y100-F108 HydrophobicContact CE1-CD2 3.94Å; Y100-F108 HydrophobicContact CE1-CE2 4.23Å; Y100-F108 HydrophobicContact CE2-CB 4.32Å; Y100-F108 HydrophobicContact CE2-CD2 4.06Å; Y100-F108 HydrophobicContact CE2-CG 4.35Å; Y100-F108 HydrophobicContact CG-CB 4.19Å; Y100-F108 AromaticContact CG-CD2 3.94Å; Y100-F108 HydrophobicContact CG-CD2 3.94Å; Y100-L130 HydrophobicContact CD1-CD1 3.78Å; Y100-L130 HydrophobicContact CD1-CG 4.24Å; Y100-L130 HydrophobicContact CE1-CD1 4.01Å; Y100-L130 HydrophobicContact CE1-CD2 4.29Å; Y100-L130 HydrophobicContact CE1-CG 3.96Å; Y100-A131 WeakPolarHBondContact CD1-O 3.38Å; Y100-A131 PolarHBondContact N-O 3.38Å; Y100-N133 PolarHBondContact O-N 2.87Å; Y100-V143 HydrophobicContact CD2-CG2 4.25Å; Y100-V143 HydrophobicContact CE2-CB 4Å; Y100-V143 HydrophobicContact CE2-CG1 3.83Å; Y100-V143 HydrophobicContact CE2-CG2 3.97Å; Y100-A148 WeakPolarHBondContact OH-CB 3.39Å; Y100-F159 HydrophobicContact CE1-CE2 4.13Å; Y100-F159 WeakPolarHBondContact OH-CE2 3.13Å
101D97.9Very high96.6Very high11 Ų1138.6 Ų38.66%0.05919%0.193CC..EExtended strand (participates in β ladder)trans-100122.5175.9179.8-12.7000109.5V31 T103 N104 T107 K134V31-D101 HydrophobicContact CB-CB 4.5Å; V31-D101 HydrophobicContact CG1-CB 4.43Å; D101-T103 PolarHBondContact O-N 3.13Å; D101-T103 VanDerWaalsContact O-N 3.11Å; D101-T103 WeakPolarHBondContact OD1-CB 3.3Å; D101-T103 PolarHBondContact OD1-N 3.25Å; D101-T103 PolarHBondContact OD1-OG1 3.03Å; D101-T103 PolarHBondContact OD2-OG1 2.83Å; D101-N104 HydrophobicContact CB-CB 4.35Å; D101-N104 PolarHBondContact O-N 2.81Å; D101-T107 HydrophobicContact CB-CG2 4.38Å; D101-T107 PolarHBondContact N-OG1 2.99Å; D101-T107 PolarHBondContact O-OG1 3.44Å; D101-K134 WeakPolarHBondContact OD2-CD 3.48Å; D101-K134 VanDerWaalsContact OD2-CE 3.22Å; D101-K134 WeakPolarHBondContact OD2-CE 3.49Å; D101-K134 IonicContact OD2-NZ 2.86Å; D101-K134 PolarHBondContact OD2-NZ 2.85Å
102I97.9Very high96.8Very high0 Ų031.6 Ų31.60%017%0.168CC..THydrogen-bonded Turntrans-62.9-19-179.365.6153.3000113.5Y100 N104 N133 M142 V143Y100-I102 HydrophobicContact CE2-CG2 3.99Å; I102-N104 VanDerWaalsContact C-N 3.34Å; I102-N133 PolarHBondContact N-O 2.57Å; I102-N133 VanDerWaalsContact N-O 3.1Å; I102-M142 PolarHBondContact O-N 2.82Å; I102-V143 PolarHBondContact O-N 3.43Å; I102-V143 VanDerWaalsContact O-N 3.11Å
103T97.4Very high97Very high35 Ų3533.1 Ų33.122%0.21517%0.168CC..THydrogen-bonded Turntrans-88.70.3178.472.30000113.1D101 L137 K140 M142D101-T103 PolarHBondContact O-N 3.13Å; D101-T103 VanDerWaalsContact O-N 3.11Å; D101-T103 WeakPolarHBondContact OD1-CB 3.3Å; D101-T103 PolarHBondContact OD1-N 3.25Å; D101-T103 PolarHBondContact OD1-OG1 3.03Å; D101-T103 PolarHBondContact OD2-OG1 2.83Å; T103-L137 HydrophobicContact CG2-CB 3.69Å; T103-L137 HydrophobicContact CG2-CD1 4.22Å; T103-K140 WeakPolarHBondContact CA-O 3.38Å; T103-K140 WeakPolarHBondContact CB-O 3.41Å; T103-K140 HydrophobicContact CG2-CB 4.04Å; T103-M142 WeakPolarHBondContact O-CG 3.43Å
104N96.5Very high97.1Very high65 Ų6534.3 Ų34.335%0.34817%0.172SC..  trans-140106.3-178.3-173.1-21.1000112.7D101 I102 E106 T107D101-N104 HydrophobicContact CB-CB 4.35Å; D101-N104 PolarHBondContact O-N 2.81Å; I102-N104 VanDerWaalsContact C-N 3.34Å; N104-E106 VanDerWaalsContact C-N 3.27Å; N104-E106 PolarHBondContact O-N 2.77Å; N104-E106 WeakPolarHBondContact OD1-CB 3.36Å; N104-E106 PolarHBondContact OD1-N 3.35Å; N104-T107 HydrophobicContact CB-CG2 3.89Å; N104-T107 PolarHBondContact O-N 2.86Å; N104-T107 VanDerWaalsContact O-N 3.15Å; N104-T107 PolarHBondContact O-OG1 3.33Å
105Q96.1Very high97Very high68 Ų6830.8 Ų30.832%0.31816%0.156SC..Hα-helixtrans-59.4-32.7179.5-164.868.69.700113.5T107 F108 A109 M142 E147Q105-T107 VanDerWaalsContact C-N 3.31Å; Q105-T107 PolarHBondContact O-N 3.01Å; Q105-F108 WeakPolarHBondContact O-CB 3.33Å; Q105-F108 PolarHBondContact O-N 2.83Å; Q105-A109 PolarHBondContact O-N 3.42Å; Q105-M142 PolarHBondContact OE1-O 3.07Å; Q105-E147 PolarHBondContact NE2-OE2 2.68Å
106E96.6Very high97Very high119 Ų11937 Ų3756%0.55618%0.183SC*.Hα-helixtrans-64.3-39.7179.2-175.1176.3-175.800110.9N104 F108 A109 R110N104-E106 VanDerWaalsContact C-N 3.27Å; N104-E106 PolarHBondContact O-N 2.77Å; N104-E106 WeakPolarHBondContact OD1-CB 3.36Å; N104-E106 PolarHBondContact OD1-N 3.35Å; E106-F108 PolarHBondContact O-N 3.29Å; E106-A109 WeakPolarHBondContact O-CB 3.38Å; E106-A109 PolarHBondContact O-N 3.04Å; E106-A109 VanDerWaalsContact O-N 3.16Å; E106-R110 HydrophobicContact CG-CG 4.5Å; E106-R110 WeakPolarHBondContact O-CG 3.4Å; E106-R110 PolarHBondContact O-N 3.21Å; E106-R110 IonicContact OE1-NH2 3.84Å
107T97.3Very high96.8Very high8 Ų838 Ų385%0.04919%0.187CC..Hα-helixtrans-64.2-33.5178.470.90000111.6E28 V31 D101 N104 Q105 R110 A111E28-T107 HydrophobicContact CB-CG2 4.24Å; V31-T107 HydrophobicContact CG1-CG2 3.76Å; D101-T107 HydrophobicContact CB-CG2 4.38Å; D101-T107 PolarHBondContact N-OG1 2.99Å; D101-T107 PolarHBondContact O-OG1 3.44Å; N104-T107 HydrophobicContact CB-CG2 3.89Å; N104-T107 PolarHBondContact O-N 2.86Å; N104-T107 VanDerWaalsContact O-N 3.15Å; N104-T107 PolarHBondContact O-OG1 3.33Å; Q105-T107 VanDerWaalsContact C-N 3.31Å; Q105-T107 PolarHBondContact O-N 3.01Å; T107-R110 PolarHBondContact O-N 2.9Å; T107-A111 WeakPolarHBondContact O-CB 3.36Å; T107-A111 PolarHBondContact O-N 3.2Å
108F97.9Very high96.6Very high1 Ų138 Ų380%0.00419%0.188CC..Hα-helixtrans-69-43.2173.7-176.9-132.5000111.7Y100 Q105 E106 R110 A111 K112 L130 V143 E147 A148 Y151Y100-F108 AromaticContact CD1-CD2 3.91Å; Y100-F108 HydrophobicContact CD1-CD2 3.91Å; Y100-F108 HydrophobicContact CD2-CB 3.82Å; Y100-F108 HydrophobicContact CD2-CD2 4Å; Y100-F108 HydrophobicContact CD2-CG 4.24Å; Y100-F108 AromaticContact CE1-CD2 3.94Å; Y100-F108 HydrophobicContact CE1-CD2 3.94Å; Y100-F108 HydrophobicContact CE1-CE2 4.23Å; Y100-F108 HydrophobicContact CE2-CB 4.32Å; Y100-F108 HydrophobicContact CE2-CD2 4.06Å; Y100-F108 HydrophobicContact CE2-CG 4.35Å; Y100-F108 HydrophobicContact CG-CB 4.19Å; Y100-F108 AromaticContact CG-CD2 3.94Å; Y100-F108 HydrophobicContact CG-CD2 3.94Å; Q105-F108 WeakPolarHBondContact O-CB 3.33Å; Q105-F108 PolarHBondContact O-N 2.83Å; E106-F108 PolarHBondContact O-N 3.29Å; F108-R110 VanDerWaalsContact C-N 3.28Å; F108-R110 PolarHBondContact O-N 3.14Å; F108-A111 WeakPolarHBondContact O-CB 3.49Å; F108-A111 PolarHBondContact O-N 2.99Å; F108-A111 VanDerWaalsContact O-N 3.13Å; F108-K112 HydrophobicContact CE2-CG 4.48Å; F108-K112 HydrophobicContact CZ-CD 4.48Å; F108-K112 WeakPolarHBondContact O-CG 3.38Å; F108-K112 PolarHBondContact O-N 2.97Å; F108-L130 HydrophobicContact CE2-CD2 4.1Å; F108-V143 HydrophobicContact CB-CG1 4.42Å; F108-V143 HydrophobicContact CB-CG2 3.73Å; F108-V143 HydrophobicContact CD1-CG1 3.67Å; F108-V143 HydrophobicContact CD1-CG2 4.25Å; F108-V143 HydrophobicContact CD2-CG1 4.45Å; F108-V143 HydrophobicContact CE1-CG1 3.92Å; F108-V143 HydrophobicContact CG-CG1 3.95Å; F108-V143 HydrophobicContact CG-CG2 4.17Å; F108-V143 HydrophobicContact CZ-CG1 4.49Å; F108-E147 HydrophobicContact CE1-CG 4.22Å; F108-E147 WeakPolarHBondContact CE1-OE1 3.14Å; F108-A148 HydrophobicContact CE2-CB 4.17Å; F108-A148 HydrophobicContact CZ-CB 4.04Å; F108-Y151 HydrophobicContact CE2-CD1 4.33Å; F108-Y151 HydrophobicContact CZ-CD1 4.32Å; F108-Y151 HydrophobicContact CZ-CG 4.36Å
109A97.1Very high96.4Very high51 Ų5142.6 Ų42.642%0.42121%0.209SC..Hα-helixtrans-58.7-40.8173.500000112Q105 E106 K112 T113Q105-A109 PolarHBondContact O-N 3.42Å; E106-A109 WeakPolarHBondContact O-CB 3.38Å; E106-A109 PolarHBondContact O-N 3.04Å; E106-A109 VanDerWaalsContact O-N 3.16Å; A109-K112 PolarHBondContact O-N 2.78Å; A109-T113 PolarHBondContact O-N 3.02Å; A109-T113 PolarHBondContact O-OG1 3.04Å
110R95.9Very high96.1Very high130 Ų13051.3 Ų51.349%0.49124%0.242SC..Hα-helixtrans-66.8-38.2174.5-64-65.9169.8-177.5-3.4112.4E106 T107 F108 K112 T113 W114E106-R110 HydrophobicContact CG-CG 4.5Å; E106-R110 WeakPolarHBondContact O-CG 3.4Å; E106-R110 PolarHBondContact O-N 3.21Å; E106-R110 IonicContact OE1-NH2 3.84Å; T107-R110 PolarHBondContact O-N 2.9Å; F108-R110 VanDerWaalsContact C-N 3.28Å; F108-R110 PolarHBondContact O-N 3.14Å; R110-K112 VanDerWaalsContact C-N 3.33Å; R110-K112 PolarHBondContact O-N 2.91Å; R110-T113 WeakPolarHBondContact O-CB 3.45Å; R110-T113 PolarHBondContact O-N 3.31Å; R110-T113 VanDerWaalsContact O-N 3.14Å; R110-W114 VanDerWaalsContact O-CD1 3.27Å; R110-W114 PolarHBondContact O-N 2.94Å
111A96.6Very high95.8Very high1 Ų155.8 Ų55.81%0.00826%0.263CS..Hα-helixtrans-59.7-41.6173.500000112.1V98 T107 F108 T113 W114 V115 L130V98-A111 HydrophobicContact CG1-CB 3.6Å; T107-A111 WeakPolarHBondContact O-CB 3.36Å; T107-A111 PolarHBondContact O-N 3.2Å; F108-A111 WeakPolarHBondContact O-CB 3.49Å; F108-A111 PolarHBondContact O-N 2.99Å; F108-A111 VanDerWaalsContact O-N 3.13Å; A111-T113 VanDerWaalsContact C-N 3.26Å; A111-T113 PolarHBondContact O-N 2.91Å; A111-W114 WeakPolarHBondContact O-CB 3.31Å; A111-W114 PolarHBondContact O-N 3.16Å; A111-W114 VanDerWaalsContact O-N 3.13Å; A111-V115 WeakPolarHBondContact O-CG2 3.49Å; A111-V115 PolarHBondContact O-N 3.24Å; A111-L130 HydrophobicContact CB-CD1 4.13Å
112K96.8Very high95.4Very high53 Ų5356 Ų5623%0.2327%0.266CS..Hα-helixtrans-58.7-37.8174.5-61.5-178-176174.90112F108 A109 R110 K116 E147 Y151F108-K112 HydrophobicContact CE2-CG 4.48Å; F108-K112 HydrophobicContact CZ-CD 4.48Å; F108-K112 WeakPolarHBondContact O-CG 3.38Å; F108-K112 PolarHBondContact O-N 2.97Å; A109-K112 PolarHBondContact O-N 2.78Å; R110-K112 VanDerWaalsContact C-N 3.33Å; R110-K112 PolarHBondContact O-N 2.91Å; K112-K116 WeakPolarHBondContact O-CG 3.01Å; K112-K116 PolarHBondContact O-N 3.41Å; K112-E147 IonicContact NZ-OE1 3.16Å; K112-E147 PolarHBondContact NZ-OE1 3.05Å; K112-E147 VanDerWaalsContact NZ-OE1 3.16Å; K112-Y151 WeakPolarHBondContact CA-OH 3.12Å; K112-Y151 HydrophobicContact CB-CE1 4.39Å; K112-Y151 HydrophobicContact CB-CE2 4.25Å; K112-Y151 HydrophobicContact CD-CD2 4.08Å; K112-Y151 HydrophobicContact CD-CE2 3.95Å; K112-Y151 HydrophobicContact CD-CG 4.49Å; K112-Y151 HydrophobicContact CG-CD1 4.24Å; K112-Y151 HydrophobicContact CG-CD2 4.25Å; K112-Y151 HydrophobicContact CG-CE1 3.79Å; K112-Y151 HydrophobicContact CG-CE2 3.81Å; K112-Y151 HydrophobicContact CG-CG 4.46Å
113T95.8Very high94.8Very high77 Ų7758.4 Ų58.447%0.47228%0.283SS..Hα-helixtrans-66.2-43.5175-56.30000111.8A109 R110 A111 V115 K116 E117A109-T113 PolarHBondContact O-N 3.02Å; A109-T113 PolarHBondContact O-OG1 3.04Å; R110-T113 WeakPolarHBondContact O-CB 3.45Å; R110-T113 PolarHBondContact O-N 3.31Å; R110-T113 VanDerWaalsContact O-N 3.14Å; A111-T113 VanDerWaalsContact C-N 3.26Å; A111-T113 PolarHBondContact O-N 2.91Å; T113-V115 PolarHBondContact O-N 2.84Å; T113-K116 PolarHBondContact O-N 3.09Å; T113-E117 PolarHBondContact O-N 3.09Å
114W95.4Very high94.2Very high27 Ų2763.7 Ų63.710%0.10232%0.318CS..Hα-helixtrans-60.9-41.8175.5-78118.6000112.8L26 H83 A86 V98 R110 A111 E117 L118L26-W114 HydrophobicContact CB-CD2 4.27Å; L26-W114 HydrophobicContact CB-CE3 4.46Å; L26-W114 HydrophobicContact CB-CG 4.4Å; L26-W114 HydrophobicContact CD1-CE3 4.07Å; L26-W114 HydrophobicContact CD1-CZ3 4.47Å; L26-W114 HydrophobicContact CD2-CE3 4.43Å; L26-W114 HydrophobicContact CD2-CH2 4.42Å; L26-W114 HydrophobicContact CD2-CZ3 4.23Å; H83-W114 AromaticContact CE1-CH2 3.48Å; H83-W114 VanDerWaalsContact CE1-CH2 3.48Å; H83-W114 WeakPolarHBondContact CE1-CH2 3.08Å; H83-W114 AromaticContact CE1-CZ2 3.96Å; H83-W114 AromaticContact CE1-CZ3 3.78Å; H83-W114 AromaticContact ND1-CH2 3.01Å; H83-W114 WeakPolarHBondContact ND1-CH2 3.32Å; H83-W114 AromaticContact ND1-CZ2 3.35Å; H83-W114 WeakPolarHBondContact ND1-CZ2 3.16Å; H83-W114 AromaticContact ND1-CZ3 3.8Å; A86-W114 HydrophobicContact CB-CH2 3.44Å; A86-W114 VanDerWaalsContact CB-CH2 3.44Å; A86-W114 HydrophobicContact CB-CZ3 3.53Å; V98-W114 HydrophobicContact CG1-CB 3.89Å; V98-W114 HydrophobicContact CG2-CB 4.38Å; R110-W114 VanDerWaalsContact O-CD1 3.27Å; R110-W114 PolarHBondContact O-N 2.94Å; A111-W114 WeakPolarHBondContact O-CB 3.31Å; A111-W114 PolarHBondContact O-N 3.16Å; A111-W114 VanDerWaalsContact O-N 3.13Å; W114-E117 PolarHBondContact O-N 3.41Å; W114-L118 WeakPolarHBondContact O-CG 3.18Å; W114-L118 PolarHBondContact O-N 3.39Å
115V95.9Very high93.8Very high0 Ų065.2 Ų65.20%033%0.334CS..Hα-helixtrans-59-48.6175.51700000110.8V98 A111 T113 E117 L118 Q119 I128 Y151 L157V98-V115 HydrophobicContact CB-CG2 4.35Å; V98-V115 HydrophobicContact CG1-CG2 4.41Å; V98-V115 HydrophobicContact CG2-CG2 4.02Å; A111-V115 WeakPolarHBondContact O-CG2 3.49Å; A111-V115 PolarHBondContact O-N 3.24Å; T113-V115 PolarHBondContact O-N 2.84Å; V115-E117 VanDerWaalsContact C-N 3.28Å; V115-E117 PolarHBondContact O-N 2.58Å; V115-L118 PolarHBondContact O-N 3.07Å; V115-Q119 HydrophobicContact CG1-CG 4.47Å; V115-Q119 WeakPolarHBondContact O-CG 3.33Å; V115-Q119 PolarHBondContact O-N 3.07Å; V115-I128 HydrophobicContact CG2-CG2 4.48Å; V115-Y151 HydrophobicContact CG2-CE1 4.44Å; V115-L157 HydrophobicContact CG1-CD1 3.83Å; V115-L157 HydrophobicContact CG1-CD2 3.96Å; V115-L157 HydrophobicContact CG2-CD1 3.89Å
116K95.2Very high93.7Very high131 Ų13163 Ų6357%0.5732%0.324SS*.Hα-helixtrans-61.1-38.3177.6-70.7175.8-178.8-178.60112.1K112 T113 R120K112-K116 WeakPolarHBondContact O-CG 3.01Å; K112-K116 PolarHBondContact O-N 3.41Å; T113-K116 PolarHBondContact O-N 3.09Å; K116-R120 WeakPolarHBondContact O-CB 3.32Å; K116-R120 PolarHBondContact O-N 3.17Å; K116-R120 VanDerWaalsContact O-N 3.1Å
117E94.2Very high93.6Very high20 Ų2058.2 Ų58.29%0.09330%0.303CS..Hα-helixtrans-65.5-46.2177.3-173.5172152.800112H83 Y90 T113 W114 V115 R120 Q121H83-E117 IonicContact CE1-OE2 3.43Å; H83-E117 PolarHBondContact CE1-OE2 2.82Å; H83-E117 IonicContact NE2-OE2 3.93Å; Y90-E117 PolarHBondContact OH-OE1 2.77Å; T113-E117 PolarHBondContact O-N 3.09Å; W114-E117 PolarHBondContact O-N 3.41Å; V115-E117 VanDerWaalsContact C-N 3.28Å; V115-E117 PolarHBondContact O-N 2.58Å; E117-R120 PolarHBondContact O-N 3.2Å; E117-Q121 PolarHBondContact O-N 2.73Å
118L94.5Very high93.6Very high1 Ų158.6 Ų58.61%0.00530%0.304CS..Hα-helixtrans-59.2-47.4174.7-74.5171.7000111.4L26 Y90 A96 V98 W114 V115 R120 Q121 A122 I126 I128L26-L118 HydrophobicContact CD1-CD1 4Å; L26-L118 HydrophobicContact CD1-CD2 3.71Å; L26-L118 HydrophobicContact CD1-CG 3.95Å; Y90-L118 HydrophobicContact CD1-CD2 4.06Å; Y90-L118 HydrophobicContact CD2-CD2 4.31Å; Y90-L118 HydrophobicContact CG-CD2 3.85Å; A96-L118 HydrophobicContact CB-CD1 3.63Å; A96-L118 HydrophobicContact CB-CD2 4.18Å; V98-L118 HydrophobicContact CG2-CD1 3.7Å; W114-L118 WeakPolarHBondContact O-CG 3.18Å; W114-L118 PolarHBondContact O-N 3.39Å; V115-L118 PolarHBondContact O-N 3.07Å; L118-R120 PolarHBondContact O-N 2.84Å; L118-Q121 PolarHBondContact O-N 3.01Å; L118-A122 HydrophobicContact CB-CB 4.48Å; L118-A122 HydrophobicContact CD2-CB 4.1Å; L118-A122 WeakPolarHBondContact O-CA 3.31Å; L118-A122 WeakPolarHBondContact O-CB 3.22Å; L118-A122 PolarHBondContact O-N 3.27Å; L118-I126 HydrophobicContact CD2-CD1 4.37Å; L118-I128 HydrophobicContact CB-CD1 3.82Å; L118-I128 HydrophobicContact CD1-CD1 4.3Å; L118-I128 HydrophobicContact CD1-CG1 4.42Å; L118-I128 HydrophobicContact CD1-CG2 4.18Å
119Q93.1Very high93.6Very high96 Ų9658.5 Ų58.545%0.44930%0.304SS..Hα-helixtrans-60.4-31.8177.9-73.4172.4-22.800112.7V115 I128V115-Q119 HydrophobicContact CG1-CG 4.47Å; V115-Q119 WeakPolarHBondContact O-CG 3.33Å; V115-Q119 PolarHBondContact O-N 3.07Å; Q119-I128 HydrophobicContact CG-CD1 4.01Å
120R92.4Very high93.7Very high184 Ų18456.1 Ų56.169%0.69428%0.284SS*.Hα-helixtrans-83.3-38.1-179.1-174.8-179.863.5174.8-0.8113.6K116 E117 L118K116-R120 WeakPolarHBondContact O-CB 3.32Å; K116-R120 PolarHBondContact O-N 3.17Å; K116-R120 VanDerWaalsContact O-N 3.1Å; E117-R120 PolarHBondContact O-N 3.2Å; L118-R120 PolarHBondContact O-N 2.84Å
121Q90.7Very high93.8Very high93 Ų9349.9 Ų49.944%0.43526%0.261SS..Hα-helixtrans-117.1-21.6-167-61.9-16810.500114.9Y90 E117 L118Y90-Q121 HydrophobicContact CE2-CB 3.96Å; Y90-Q121 PolarHBondContact OH-OE1 3.27Å; E117-Q121 PolarHBondContact O-N 2.73Å; L118-Q121 PolarHBondContact O-N 3.01Å
122A90.4Very high93.9Very high16 Ų1649.9 Ų49.913%0.13226%0.26CS..SBendtrans-81.4179.2178.100000111.2Y90 L118 I126Y90-A122 HydrophobicContact CD2-CB 4.09Å; L118-A122 HydrophobicContact CB-CB 4.48Å; L118-A122 HydrophobicContact CD2-CB 4.1Å; L118-A122 WeakPolarHBondContact O-CA 3.31Å; L118-A122 WeakPolarHBondContact O-CB 3.22Å; L118-A122 PolarHBondContact O-N 3.27Å; A122-I126 HydrophobicContact CB-CD1 3.9Å; A122-I126 HydrophobicContact CB-CG2 4.13Å
123S86.2Confident93.9Very high50 Ų5047.5 Ų47.535%0.3525%0.25SS..  trans-64.6138.4178.2-63.90000111S125 I126S123-S125 PolarHBondContact O-N 2.86Å; S123-I126 WeakPolarHBondContact O-CB 3.16Å; S123-I126 WeakPolarHBondContact O-CG2 3.3Å; S123-I126 PolarHBondContact O-N 2.84Å
124P84.2Confident94Very high146 Ų14646.3 Ų46.395%0.94824%0.239SC*.THydrogen-bonded Turntrans-59.1-21.8-178.4-26.234.2000115
125S87.5Confident94.1Very high97 Ų9745.7 Ų45.768%0.67824%0.239SC*.THydrogen-bonded Turntrans-97.311179.456.10000114S123 V127S123-S125 PolarHBondContact O-N 2.86Å; S125-V127 PolarHBondContact O-N 2.85Å
126I93.8Very high94.1Very high21 Ų2148.4 Ų48.411%0.10825%0.254CS..  trans-66.2131179.9-167.5170.9000110.7A93 A96 L118 A122 S123 I128A93-I126 HydrophobicContact CB-CD1 4.37Å; A96-I126 HydrophobicContact CB-CD1 3.87Å; L118-I126 HydrophobicContact CD2-CD1 4.37Å; A122-I126 HydrophobicContact CB-CD1 3.9Å; A122-I126 HydrophobicContact CB-CG2 4.13Å; S123-I126 WeakPolarHBondContact O-CB 3.16Å; S123-I126 WeakPolarHBondContact O-CG2 3.3Å; S123-I126 PolarHBondContact O-N 2.84Å; I126-I128 HydrophobicContact CG2-CD1 4.1Å; I126-I128 HydrophobicContact CG2-CG1 3.87Å; I126-I128 PolarHBondContact O-N 3.02Å
127V95.8Very high94.1Very high20 Ų2045.3 Ų45.312%0.12124%0.243CC..EExtended strand (participates in β ladder)trans-82.5113.4171.5179.40000108.3Q94 A95 A96 S125 L158 K180 L181Q94-V127 PolarHBondContact O-N 2.77Å; A95-V127 CarbonylContact C-O 3.58Å; A95-V127 VanDerWaalsContact CA-O 3.25Å; A95-V127 WeakPolarHBondContact CA-O 3.08Å; A96-V127 PolarHBondContact N-O 3.44Å; S125-V127 PolarHBondContact O-N 2.85Å; V127-L158 HydrophobicContact CG1-CD1 3.94Å; V127-K180 HydrophobicContact CG1-CB 4.03Å; V127-K180 HydrophobicContact CG1-CD 4.11Å; V127-K180 HydrophobicContact CG2-CB 4.19Å; V127-L181 HydrophobicContact CB-CD2 4.4Å; V127-L181 HydrophobicContact CG2-CD2 3.94Å; V127-L181 HydrophobicContact CG2-CG 4.45Å
128I97.1Very high94Very high15 Ų1546.7 Ų46.78%0.07726%0.258CS..EExtended strand (participates in β ladder)trans-100.6128.7177.7-52.3175.9000109.1A96 V98 V115 L118 Q119 I126 L157 L158A96-I128 WeakPolarHBondContact O-CA 3.29Å; V98-I128 HydrophobicContact CG2-CG2 4.23Å; V115-I128 HydrophobicContact CG2-CG2 4.48Å; L118-I128 HydrophobicContact CB-CD1 3.82Å; L118-I128 HydrophobicContact CD1-CD1 4.3Å; L118-I128 HydrophobicContact CD1-CG1 4.42Å; L118-I128 HydrophobicContact CD1-CG2 4.18Å; Q119-I128 HydrophobicContact CG-CD1 4.01Å; I126-I128 HydrophobicContact CG2-CD1 4.1Å; I126-I128 HydrophobicContact CG2-CG1 3.87Å; I126-I128 PolarHBondContact O-N 3.02Å; I128-L157 HydrophobicContact CB-CD2 3.83Å; I128-L157 HydrophobicContact CD1-CD2 4.45Å; I128-L157 HydrophobicContact CG2-CD2 3.87Å; I128-L158 PolarHBondContact O-N 3.47Å
129A98Very high94Very high0 Ų054.8 Ų54.80%030%0.301CS..EExtended strand (participates in β ladder)trans-117.2133.7171.300000110.5A96 I97 V98 L158 L173 I177A96-A129 PolarHBondContact O-N 3.47Å; I97-A129 CarbonylContact C-O 3.54Å; I97-A129 WeakPolarHBondContact CA-O 3.13Å; I97-A129 HydrophobicContact CG1-CB 4.48Å; V98-A129 PolarHBondContact N-O 3.11Å; A129-L158 CarbonylContact C-O 3.54Å; A129-L158 VanDerWaalsContact CA-O 3.3Å; A129-L158 WeakPolarHBondContact CA-O 3.39Å; A129-L158 HydrophobicContact CB-CB 3.84Å; A129-L158 HydrophobicContact CB-CD1 4.48Å; A129-L173 HydrophobicContact CB-CD1 3.94Å; A129-I177 HydrophobicContact CB-CD1 3.81Å; A129-I177 HydrophobicContact CB-CG1 4.01Å
130L98.4Very high94.2Very high0 Ų057.2 Ų57.20%031%0.31CS..EExtended strand (participates in β ladder)trans-99.2125.2172.3-179.768.5000108.7V98 Y100 F108 A111 Y151 A152 L157 L158 F159 M160V98-L130 HydrophobicContact CB-CD1 4.34Å; V98-L130 HydrophobicContact CG1-CD1 4.39Å; V98-L130 CarbonylContact O-C 3.56Å; V98-L130 WeakPolarHBondContact O-CA 3.43Å; Y100-L130 HydrophobicContact CD1-CD1 3.78Å; Y100-L130 HydrophobicContact CD1-CG 4.24Å; Y100-L130 HydrophobicContact CE1-CD1 4.01Å; Y100-L130 HydrophobicContact CE1-CD2 4.29Å; Y100-L130 HydrophobicContact CE1-CG 3.96Å; F108-L130 HydrophobicContact CE2-CD2 4.1Å; A111-L130 HydrophobicContact CB-CD1 4.13Å; L130-Y151 HydrophobicContact CD2-CD1 3.98Å; L130-Y151 HydrophobicContact CD2-CE1 4.45Å; L130-A152 HydrophobicContact CD2-CB 4.4Å; L130-L157 HydrophobicContact CB-CD1 4.32Å; L130-L158 PolarHBondContact N-O 3.37Å; L130-F159 HydrophobicContact CB-CD2 4.13Å; L130-F159 HydrophobicContact CD2-CD2 3.86Å; L130-F159 HydrophobicContact CD2-CE2 4.3Å; L130-F159 HydrophobicContact CG-CD2 3.94Å; L130-F159 HydrophobicContact CG-CE2 4.42Å; L130-F159 WeakPolarHBondContact O-CA 3.4Å; L130-F159 WeakPolarHBondContact O-CD2 3.33Å; L130-M160 PolarHBondContact O-N 3.3Å
131A98.3Very high94.4Very high0 Ų051 Ų510%029%0.286CS..EExtended strand (participates in β ladder)trans-119.9115.3-178.900000111.1I97 V98 V99 Y100 N133 M160 L173I97-A131 HydrophobicContact CG2-CB 3.93Å; V98-A131 PolarHBondContact O-N 2.9Å; V99-A131 WeakPolarHBondContact CA-O 3.43Å; V99-A131 HydrophobicContact CG2-CB 4.38Å; Y100-A131 WeakPolarHBondContact CD1-O 3.38Å; Y100-A131 PolarHBondContact N-O 3.38Å; A131-N133 PolarHBondContact O-N 2.86Å; A131-M160 WeakPolarHBondContact CA-O 3.38Å; A131-L173 HydrophobicContact CB-CD2 3.83Å
132G98.1Very high94.7Very high0 Ų052.3 Ų52.30%029%0.294CS..EExtended strand (participates in β ladder)trans-84.298.4170.200000109.9M160 E161 T162G132-M160 PolarHBondContact N-O 3.32Å; G132-M160 VanDerWaalsContact N-O 3.17Å; G132-E161 CarbonylContact O-C 3.59Å; G132-E161 VanDerWaalsContact O-CA 3.27Å; G132-E161 WeakPolarHBondContact O-CA 3.4Å; G132-T162 PolarHBondContact O-N 3.19Å
133N97.9Very high94.9Very high4 Ų451.5 Ų51.52%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-87.3166.3-176.1-169.832.6000112.1V31 V99 Y100 I102 A131 T162 A164V31-N133 PolarHBondContact O-ND2 3.34Å; V99-N133 HydrophobicContact CG1-CB 3.75Å; Y100-N133 PolarHBondContact O-N 2.87Å; I102-N133 PolarHBondContact N-O 2.57Å; I102-N133 VanDerWaalsContact N-O 3.1Å; A131-N133 PolarHBondContact O-N 2.86Å; N133-T162 CarbonylContact C-O 3.57Å; N133-T162 VanDerWaalsContact CA-O 3.29Å; N133-T162 WeakPolarHBondContact CA-O 3.46Å; N133-T162 PolarHBondContact OD1-O 3.24Å; N133-A164 PolarHBondContact OD1-N 3.42Å
134K96.9Very high95.5Very high52 Ų5254 Ų5423%0.22629%0.294CS..  trans67.933.8-177.1-45.8-170.9-164.91680113.7A30 D101 D136 L137 T162A30-K134 WeakPolarHBondContact O-CE 3.21Å; A30-K134 PolarHBondContact O-NZ 3.38Å; D101-K134 WeakPolarHBondContact OD2-CD 3.48Å; D101-K134 VanDerWaalsContact OD2-CE 3.22Å; D101-K134 WeakPolarHBondContact OD2-CE 3.49Å; D101-K134 IonicContact OD2-NZ 2.86Å; D101-K134 PolarHBondContact OD2-NZ 2.85Å; K134-D136 WeakPolarHBondContact CA-OD1 3.46Å; K134-D136 PolarHBondContact O-N 2.88Å; K134-L137 HydrophobicContact CB-CD1 4.31Å; K134-L137 HydrophobicContact CD-CD1 4.37Å; K134-L137 WeakPolarHBondContact O-CB 3.22Å; K134-L137 PolarHBondContact O-N 3.48Å; K134-T162 PolarHBondContact N-O 3.34Å; K134-T162 VanDerWaalsContact N-O 3.09Å
135A96.6Very high96Very high13 Ų1351.2 Ų51.211%0.10727%0.265CS..G310 helixtrans-57.7-20.7175.300000114.2L137 A138 E161 T162 M168A135-L137 PolarHBondContact O-N 3.48Å; A135-A138 PolarHBondContact O-N 2.89Å; A135-E161 HydrophobicContact CB-CB 4.31Å; A135-T162 WeakPolarHBondContact CB-O 3.49Å; A135-T162 PolarHBondContact N-O 2.89Å; A135-T162 VanDerWaalsContact N-O 3.09Å; A135-M168 HydrophobicContact CB-CE 3.3Å; A135-M168 HydrophobicContact CB-SD 4.44Å
136D96.5Very high96.5Very high58 Ų5852.7 Ų52.731%0.3126%0.261SS..G310 helixtrans-62.2-17.9170.255.8-74.7000113.7K134 S163 T166K134-D136 WeakPolarHBondContact CA-OD1 3.46Å; K134-D136 PolarHBondContact O-N 2.88Å; D136-S163 WeakPolarHBondContact OD1-CB 3.39Å; D136-S163 PolarHBondContact OD1-OG 2.89Å; D136-T166 HydrophobicContact CB-CG2 3.86Å
137L95.2Very high96.6Very high66 Ų6655.2 Ų55.235%0.34627%0.272SS..G310 helixtrans-100.830.5176.2-58179.9000112.6T103 K134 A135 N139 K140T103-L137 HydrophobicContact CG2-CB 3.69Å; T103-L137 HydrophobicContact CG2-CD1 4.22Å; K134-L137 HydrophobicContact CB-CD1 4.31Å; K134-L137 HydrophobicContact CD-CD1 4.37Å; K134-L137 WeakPolarHBondContact O-CB 3.22Å; K134-L137 PolarHBondContact O-N 3.48Å; A135-L137 PolarHBondContact O-N 3.48Å; L137-N139 PolarHBondContact O-N 2.87Å; L137-K140 PolarHBondContact O-N 3.28Å
138A93.2Very high96.6Very high49 Ų4954.2 Ų54.241%0.40527%0.267SS..G310 helixtrans-51-29.5-179.700000114.2A135 K140 R141A135-A138 PolarHBondContact O-N 2.89Å; A138-K140 PolarHBondContact O-N 3.17Å; A138-R141 WeakPolarHBondContact O-CB 3.39Å; A138-R141 PolarHBondContact O-N 3.23Å; A138-R141 VanDerWaalsContact O-N 3.13Å
139N94.7Very high96.6Very high170 Ų17055.8 Ų55.891%0.90927%0.274SS*.G310 helixtrans-65.4-16.3175.6-63.9-30.3000114.3L137L137-N139 PolarHBondContact O-N 2.87Å
140K95.4Very high96.6Very high147 Ų14758.1 Ų58.164%0.63929%0.293SS*.G310 helixtrans-113.920.6177-61.6-177.2179.3-179.30111.6T103 L137 A138 M142T103-K140 WeakPolarHBondContact CA-O 3.38Å; T103-K140 WeakPolarHBondContact CB-O 3.41Å; T103-K140 HydrophobicContact CG2-CB 4.04Å; L137-K140 PolarHBondContact O-N 3.28Å; A138-K140 PolarHBondContact O-N 3.17Å; K140-M142 PolarHBondContact O-N 3.06Å
141R96.8Very high96.5Very high53 Ų5359.4 Ų59.420%0.230%0.298CS..  trans-57.7134.1-179.9177.4-178.6-70.7-90.54.4110.1A138 V143 E161A138-R141 WeakPolarHBondContact O-CB 3.39Å; A138-R141 PolarHBondContact O-N 3.23Å; A138-R141 VanDerWaalsContact O-N 3.13Å; R141-V143 VanDerWaalsContact CD-O 3.3Å; R141-V143 WeakPolarHBondContact CD-O 3.47Å; R141-V143 WeakPolarHBondContact CG-O 3.44Å; R141-V143 PolarHBondContact NH1-O 3.27Å; R141-E161 IonicContact CZ-OE1 3.8Å; R141-E161 VanDerWaalsContact CZ-OE1 3.31Å; R141-E161 IonicContact CZ-OE2 3.05Å; R141-E161 IonicContact NH1-OE1 2.67Å; R141-E161 PolarHBondContact NH1-OE1 2.94Å; R141-E161 IonicContact NH1-OE2 3.31Å; R141-E161 VanDerWaalsContact NH2-CD 3.31Å; R141-E161 IonicContact NH2-OE1 2.78Å; R141-E161 PolarHBondContact NH2-OE1 2.81Å; R141-E161 IonicContact NH2-OE2 2.68Å; R141-E161 PolarHBondContact NH2-OE2 3.1Å
142M96.9Very high96.4Very high121 Ų12159.4 Ų59.460%0.59630%0.298SS*.  trans-118.4-22.6172.4-63.8-63.8-66.900111.7I102 T103 Q105 K140I102-M142 PolarHBondContact O-N 2.82Å; T103-M142 WeakPolarHBondContact O-CG 3.43Å; Q105-M142 PolarHBondContact OE1-O 3.07Å; K140-M142 PolarHBondContact O-N 3.06Å
143V96.4Very high96.3Very high0 Ų063.9 Ų63.90%032%0.322CS..SBendtrans-107.6117.6176.3-175.30000108.7Y100 I102 F108 R141 A148Y100-V143 HydrophobicContact CD2-CG2 4.25Å; Y100-V143 HydrophobicContact CE2-CB 4Å; Y100-V143 HydrophobicContact CE2-CG1 3.83Å; Y100-V143 HydrophobicContact CE2-CG2 3.97Å; I102-V143 PolarHBondContact O-N 3.43Å; I102-V143 VanDerWaalsContact O-N 3.11Å; F108-V143 HydrophobicContact CB-CG1 4.42Å; F108-V143 HydrophobicContact CB-CG2 3.73Å; F108-V143 HydrophobicContact CD1-CG1 3.67Å; F108-V143 HydrophobicContact CD1-CG2 4.25Å; F108-V143 HydrophobicContact CD2-CG1 4.45Å; F108-V143 HydrophobicContact CE1-CG1 3.92Å; F108-V143 HydrophobicContact CG-CG1 3.95Å; F108-V143 HydrophobicContact CG-CG2 4.17Å; F108-V143 HydrophobicContact CZ-CG1 4.49Å; R141-V143 VanDerWaalsContact CD-O 3.3Å; R141-V143 WeakPolarHBondContact CD-O 3.47Å; R141-V143 WeakPolarHBondContact CG-O 3.44Å; R141-V143 PolarHBondContact NH1-O 3.27Å; V143-A148 HydrophobicContact CG1-CB 4.25Å
144E96.9Very high96.2Very high102 Ų10270.2 Ų70.248%0.47736%0.356SS..  trans-69.9145.1176.5-64.6-52.5140.700111.9E146 E147 A148E144-E146 VanDerWaalsContact C-N 3.26Å; E144-E146 PolarHBondContact O-N 3.24Å; E144-E147 HydrophobicContact CB-CB 4.38Å; E144-E147 PolarHBondContact O-N 3.19Å; E144-A148 PolarHBondContact O-N 2.91Å
145Y96Very high96.1Very high87 Ų8769.7 Ų69.734%0.34136%0.355SS..Hα-helixtrans-59-44.3-179.8178.5-83.7000110.2E147 A148 Q149 F159 E161Y145-E147 VanDerWaalsContact C-N 3.34Å; Y145-E147 PolarHBondContact O-N 3.13Å; Y145-A148 PolarHBondContact O-N 3.38Å; Y145-Q149 HydrophobicContact CD1-CB 4.21Å; Y145-Q149 HydrophobicContact CE1-CB 3.87Å; Y145-Q149 HydrophobicContact CE1-CG 4.1Å; Y145-Q149 VanDerWaalsContact O-CB 3.27Å; Y145-Q149 WeakPolarHBondContact O-CB 3.43Å; Y145-Q149 PolarHBondContact O-N 2.83Å; Y145-Q149 PolarHBondContact OH-OE1 3.21Å; Y145-F159 AromaticContact CD2-CE1 3.94Å; Y145-F159 HydrophobicContact CD2-CE1 3.94Å; Y145-F159 HydrophobicContact CD2-CZ 4.37Å; Y145-F159 HydrophobicContact CE1-CE1 4.27Å; Y145-F159 HydrophobicContact CE2-CD1 4.38Å; Y145-F159 AromaticContact CE2-CE1 3.54Å; Y145-F159 HydrophobicContact CE2-CE1 3.54Å; Y145-F159 HydrophobicContact CE2-CZ 4.28Å; Y145-F159 HydrophobicContact CG-CE1 4.45Å; Y145-F159 AromaticContact CZ-CE1 3.69Å; Y145-E161 VanDerWaalsContact CD2-CD 3.5Å; Y145-E161 HydrophobicContact CD2-CG 3.79Å; Y145-E161 HydrophobicContact CE2-CG 4.01Å
146E96.6Very high96Very high128 Ų12874 Ų7460%0.59838%0.384SS*.Hα-helixtrans-64.2-37.2-178.2-64.372.7-161.300111.7E144 A150E144-E146 VanDerWaalsContact C-N 3.26Å; E144-E146 PolarHBondContact O-N 3.24Å; E146-A150 WeakPolarHBondContact O-CB 3.41Å; E146-A150 PolarHBondContact O-N 2.99Å
147E96.2Very high95.9Very high74 Ų7471.9 Ų71.935%0.34637%0.373SS..Hα-helixtrans-63.8-45.8175.8-169-162.1156.400110.6Q105 F108 K112 E144 Y145 Y151Q105-E147 PolarHBondContact NE2-OE2 2.68Å; F108-E147 HydrophobicContact CE1-CG 4.22Å; F108-E147 WeakPolarHBondContact CE1-OE1 3.14Å; K112-E147 IonicContact NZ-OE1 3.16Å; K112-E147 PolarHBondContact NZ-OE1 3.05Å; K112-E147 VanDerWaalsContact NZ-OE1 3.16Å; E144-E147 HydrophobicContact CB-CB 4.38Å; E144-E147 PolarHBondContact O-N 3.19Å; Y145-E147 VanDerWaalsContact C-N 3.34Å; Y145-E147 PolarHBondContact O-N 3.13Å; E147-Y151 WeakPolarHBondContact O-CB 3.36Å; E147-Y151 PolarHBondContact O-N 2.83Å; E147-Y151 VanDerWaalsContact O-N 3.1Å
148A96.3Very high96Very high0 Ų070.3 Ų70.30%037%0.365CS..Hα-helixtrans-70.5-39.5-179.200000112.7Y100 F108 V143 E144 Y145 Y151 A152 F159Y100-A148 WeakPolarHBondContact OH-CB 3.39Å; F108-A148 HydrophobicContact CE2-CB 4.17Å; F108-A148 HydrophobicContact CZ-CB 4.04Å; V143-A148 HydrophobicContact CG1-CB 4.25Å; E144-A148 PolarHBondContact O-N 2.91Å; Y145-A148 PolarHBondContact O-N 3.38Å; A148-Y151 PolarHBondContact O-N 3.1Å; A148-A152 WeakPolarHBondContact O-CB 3.06Å; A148-A152 PolarHBondContact O-N 3.07Å; A148-F159 HydrophobicContact CB-CE1 4.22Å; A148-F159 HydrophobicContact CB-CE2 3.66Å; A148-F159 HydrophobicContact CB-CZ 3.47Å; A148-F159 VanDerWaalsContact CB-CZ 3.47Å
149Q97Very high96.2Very high48 Ų4869.2 Ų69.222%0.22435%0.351CS..Hα-helixtrans-63.1-49.8175-179.7676800111Y145 Y151 A152 D153 F159Y145-Q149 HydrophobicContact CD1-CB 4.21Å; Y145-Q149 HydrophobicContact CE1-CB 3.87Å; Y145-Q149 HydrophobicContact CE1-CG 4.1Å; Y145-Q149 VanDerWaalsContact O-CB 3.27Å; Y145-Q149 WeakPolarHBondContact O-CB 3.43Å; Y145-Q149 PolarHBondContact O-N 2.83Å; Y145-Q149 PolarHBondContact OH-OE1 3.21Å; Q149-Y151 VanDerWaalsContact C-N 3.31Å; Q149-Y151 PolarHBondContact O-N 3.4Å; Q149-A152 WeakPolarHBondContact O-CB 3.16Å; Q149-A152 PolarHBondContact O-N 2.98Å; Q149-A152 VanDerWaalsContact O-N 3.07Å; Q149-D153 VanDerWaalsContact NE2-CG 3.34Å; Q149-D153 PolarHBondContact NE2-OD1 3.1Å; Q149-D153 PolarHBondContact NE2-OD2 2.67Å; Q149-D153 PolarHBondContact O-N 2.81Å; Q149-F159 HydrophobicContact CB-CD1 4.04Å; Q149-F159 HydrophobicContact CB-CE1 4.06Å
150A97.5Very high96.4Very high49 Ų4963 Ų6341%0.40532%0.317SS..Hα-helixtrans-58.7-44.2177.900000111.5E146 A152 D153 D154E146-A150 WeakPolarHBondContact O-CB 3.41Å; E146-A150 PolarHBondContact O-N 2.99Å; A150-A152 VanDerWaalsContact C-N 3.32Å; A150-A152 PolarHBondContact O-N 3.37Å; A150-D153 PolarHBondContact O-N 3.23Å; A150-D154 WeakPolarHBondContact O-CB 2.9Å; A150-D154 VanDerWaalsContact O-CG 3.25Å; A150-D154 PolarHBondContact O-N 2.86Å
151Y97.1Very high96.5Very high27 Ų2756.9 Ų56.911%0.10629%0.291CS..Hα-helixtrans-60.7-40.7175.2176.2-100.4000112.6F108 K112 V115 L130 E147 A148 Q149 N155 L157F108-Y151 HydrophobicContact CE2-CD1 4.33Å; F108-Y151 HydrophobicContact CZ-CD1 4.32Å; F108-Y151 HydrophobicContact CZ-CG 4.36Å; K112-Y151 WeakPolarHBondContact CA-OH 3.12Å; K112-Y151 HydrophobicContact CB-CE1 4.39Å; K112-Y151 HydrophobicContact CB-CE2 4.25Å; K112-Y151 HydrophobicContact CD-CD2 4.08Å; K112-Y151 HydrophobicContact CD-CE2 3.95Å; K112-Y151 HydrophobicContact CD-CG 4.49Å; K112-Y151 HydrophobicContact CG-CD1 4.24Å; K112-Y151 HydrophobicContact CG-CD2 4.25Å; K112-Y151 HydrophobicContact CG-CE1 3.79Å; K112-Y151 HydrophobicContact CG-CE2 3.81Å; K112-Y151 HydrophobicContact CG-CG 4.46Å; V115-Y151 HydrophobicContact CG2-CE1 4.44Å; L130-Y151 HydrophobicContact CD2-CD1 3.98Å; L130-Y151 HydrophobicContact CD2-CE1 4.45Å; E147-Y151 WeakPolarHBondContact O-CB 3.36Å; E147-Y151 PolarHBondContact O-N 2.83Å; E147-Y151 VanDerWaalsContact O-N 3.1Å; A148-Y151 PolarHBondContact O-N 3.1Å; Q149-Y151 VanDerWaalsContact C-N 3.31Å; Q149-Y151 PolarHBondContact O-N 3.4Å; Y151-N155 WeakPolarHBondContact CD2-ND2 3.29Å; Y151-N155 WeakPolarHBondContact CE2-ND2 3.04Å; Y151-N155 WeakPolarHBondContact O-CB 3.41Å; Y151-N155 PolarHBondContact O-N 2.91Å; Y151-N155 PolarHBondContact O-ND2 2.96Å; Y151-L157 HydrophobicContact CE1-CD1 4.06Å
152A96.8Very high96.5Very high0 Ų054.4 Ų54.40%028%0.281CS..Hα-helixtrans-66-42.9177.900000112.1L130 A148 Q149 A150 N155 S156 L157 F159L130-A152 HydrophobicContact CD2-CB 4.4Å; A148-A152 WeakPolarHBondContact O-CB 3.06Å; A148-A152 PolarHBondContact O-N 3.07Å; Q149-A152 WeakPolarHBondContact O-CB 3.16Å; Q149-A152 PolarHBondContact O-N 2.98Å; Q149-A152 VanDerWaalsContact O-N 3.07Å; A150-A152 VanDerWaalsContact C-N 3.32Å; A150-A152 PolarHBondContact O-N 3.37Å; A152-N155 CarbonylContact O-C 3.51Å; A152-N155 PolarHBondContact O-N 3.49Å; A152-S156 PolarHBondContact O-N 2.99Å; A152-L157 HydrophobicContact CB-CB 4.14Å; A152-L157 PolarHBondContact O-N 2.95Å; A152-F159 HydrophobicContact CB-CB 3.45Å; A152-F159 VanDerWaalsContact CB-CB 3.45Å; A152-F159 HydrophobicContact CB-CG 4.11Å
153D96Very high96.6Very high94 Ų9448.6 Ų48.650%0.50325%0.253SS..Hα-helixtrans-64.6-45.4178.8-66.4-30.1000111.1Q149 A150 N155 S156Q149-D153 VanDerWaalsContact NE2-CG 3.34Å; Q149-D153 PolarHBondContact NE2-OD1 3.1Å; Q149-D153 PolarHBondContact NE2-OD2 2.67Å; Q149-D153 PolarHBondContact O-N 2.81Å; A150-D153 PolarHBondContact O-N 3.23Å; D153-N155 PolarHBondContact O-N 2.87Å; D153-N155 VanDerWaalsContact O-N 3.16Å; D153-S156 PolarHBondContact O-N 2.85Å
154D95.9Very high96.6Very high137 Ų13748.7 Ų48.773%0.73325%0.254SS*.Hα-helixtrans-57.9-30.9175.9-74.7-14000112.8A150A150-D154 WeakPolarHBondContact O-CB 2.9Å; A150-D154 VanDerWaalsContact O-CG 3.25Å; A150-D154 PolarHBondContact O-N 2.86Å
155N94.1Very high96.5Very high40 Ų4048.2 Ų48.221%0.21425%0.25CC..THydrogen-bonded Turntrans-1036.9-179-69.6-92.8000113Y151 A152 D153 L157Y151-N155 WeakPolarHBondContact CD2-ND2 3.29Å; Y151-N155 WeakPolarHBondContact CE2-ND2 3.04Å; Y151-N155 WeakPolarHBondContact O-CB 3.41Å; Y151-N155 PolarHBondContact O-N 2.91Å; Y151-N155 PolarHBondContact O-ND2 2.96Å; A152-N155 CarbonylContact O-C 3.51Å; A152-N155 PolarHBondContact O-N 3.49Å; D153-N155 PolarHBondContact O-N 2.87Å; D153-N155 VanDerWaalsContact O-N 3.16Å; N155-L157 HydrophobicContact CB-CD1 3.9Å; N155-L157 HydrophobicContact CB-CD2 4.01Å; N155-L157 HydrophobicContact CB-CG 3.65Å; N155-L157 WeakPolarHBondContact O-CD2 3.37Å; N155-L157 PolarHBondContact O-N 2.94Å
156S93.6Very high96.5Very high103 Ų10348.1 Ų48.172%0.7226%0.258SS*.THydrogen-bonded Turntrans54.434.5-178-60.10000114.5A152 D153A152-S156 PolarHBondContact O-N 2.99Å; D153-S156 PolarHBondContact O-N 2.85Å
157L95.8Very high96.5Very high15 Ų1543.8 Ų43.88%0.07925%0.245CC..  trans-86.7156.3-180-45.3177.3000110.6V115 I128 L130 Y151 A152 N155V115-L157 HydrophobicContact CG1-CD1 3.83Å; V115-L157 HydrophobicContact CG1-CD2 3.96Å; V115-L157 HydrophobicContact CG2-CD1 3.89Å; I128-L157 HydrophobicContact CB-CD2 3.83Å; I128-L157 HydrophobicContact CD1-CD2 4.45Å; I128-L157 HydrophobicContact CG2-CD2 3.87Å; L130-L157 HydrophobicContact CB-CD1 4.32Å; Y151-L157 HydrophobicContact CE1-CD1 4.06Å; A152-L157 HydrophobicContact CB-CB 4.14Å; A152-L157 PolarHBondContact O-N 2.95Å; N155-L157 HydrophobicContact CB-CD1 3.9Å; N155-L157 HydrophobicContact CB-CD2 4.01Å; N155-L157 HydrophobicContact CB-CG 3.65Å; N155-L157 WeakPolarHBondContact O-CD2 3.37Å; N155-L157 PolarHBondContact O-N 2.94Å
158L96.7Very high96.5Very high32 Ų3243.9 Ų43.917%0.16825%0.246CC..EExtended strand (participates in β ladder)trans-74.2138.4158.6-70.2174.6000108.6V127 I128 A129 L130 A176 I177 K180V127-L158 HydrophobicContact CG1-CD1 3.94Å; I128-L158 PolarHBondContact O-N 3.47Å; A129-L158 CarbonylContact C-O 3.54Å; A129-L158 VanDerWaalsContact CA-O 3.3Å; A129-L158 WeakPolarHBondContact CA-O 3.39Å; A129-L158 HydrophobicContact CB-CB 3.84Å; A129-L158 HydrophobicContact CB-CD1 4.48Å; L130-L158 PolarHBondContact N-O 3.37Å; L158-A176 HydrophobicContact CD1-CB 4.44Å; L158-I177 HydrophobicContact CD1-CG1 3.91Å; L158-K180 HydrophobicContact CD1-CD 3.92Å; L158-K180 HydrophobicContact CD1-CG 4.44Å; L158-K180 HydrophobicContact CD2-CD 3.82Å; L158-K180 VanDerWaalsContact CD2-CE 3.47Å; L158-K180 HydrophobicContact CG-CD 3.87Å
159F97.9Very high96.5Very high26 Ų2646.5 Ų46.511%0.11426%0.26CS..EExtended strand (participates in β ladder)trans-129.8140.1174.2175.1-112.1000111.6Y100 L130 Y145 A148 Q149 A152 E161Y100-F159 HydrophobicContact CE1-CE2 4.13Å; Y100-F159 WeakPolarHBondContact OH-CE2 3.13Å; L130-F159 HydrophobicContact CB-CD2 4.13Å; L130-F159 HydrophobicContact CD2-CD2 3.86Å; L130-F159 HydrophobicContact CD2-CE2 4.3Å; L130-F159 HydrophobicContact CG-CD2 3.94Å; L130-F159 HydrophobicContact CG-CE2 4.42Å; L130-F159 WeakPolarHBondContact O-CA 3.4Å; L130-F159 WeakPolarHBondContact O-CD2 3.33Å; Y145-F159 AromaticContact CD2-CE1 3.94Å; Y145-F159 HydrophobicContact CD2-CE1 3.94Å; Y145-F159 HydrophobicContact CD2-CZ 4.37Å; Y145-F159 HydrophobicContact CE1-CE1 4.27Å; Y145-F159 HydrophobicContact CE2-CD1 4.38Å; Y145-F159 AromaticContact CE2-CE1 3.54Å; Y145-F159 HydrophobicContact CE2-CE1 3.54Å; Y145-F159 HydrophobicContact CE2-CZ 4.28Å; Y145-F159 HydrophobicContact CG-CE1 4.45Å; Y145-F159 AromaticContact CZ-CE1 3.69Å; A148-F159 HydrophobicContact CB-CE1 4.22Å; A148-F159 HydrophobicContact CB-CE2 3.66Å; A148-F159 HydrophobicContact CB-CZ 3.47Å; A148-F159 VanDerWaalsContact CB-CZ 3.47Å; Q149-F159 HydrophobicContact CB-CD1 4.04Å; Q149-F159 HydrophobicContact CB-CE1 4.06Å; A152-F159 HydrophobicContact CB-CB 3.45Å; A152-F159 VanDerWaalsContact CB-CB 3.45Å; A152-F159 HydrophobicContact CB-CG 4.11Å; F159-E161 HydrophobicContact CE1-CG 4.46Å; F159-E161 HydrophobicContact CZ-CG 3.87Å
160M97.8Very high96.5Very high41 Ų4144.2 Ų44.220%0.20225%0.25CC..EExtended strand (participates in β ladder)trans-157.6133.3174.9-162.9171.6-80.900110L130 A131 G132 T162 N169 D172 L173L130-M160 PolarHBondContact O-N 3.3Å; A131-M160 WeakPolarHBondContact CA-O 3.38Å; G132-M160 PolarHBondContact N-O 3.32Å; G132-M160 VanDerWaalsContact N-O 3.17Å; M160-T162 HydrophobicContact CG-CG2 4.48Å; M160-N169 HydrophobicContact CG-CB 3.71Å; M160-N169 HydrophobicContact SD-CB 3.57Å; M160-N169 VanDerWaalsContact SD-CB 3.57Å; M160-N169 VanDerWaalsContact SD-O 3.37Å; M160-D172 HydrophobicContact CE-CB 3.9Å; M160-D172 HydrophobicContact SD-CB 3.78Å; M160-L173 HydrophobicContact CB-CD1 4.27Å; M160-L173 HydrophobicContact SD-CB 3.94Å; M160-L173 PolarHBondContact SD-N 2.84Å; M160-L173 VanDerWaalsContact SD-N 3.43Å
161E97.8Very high96.4Very high18 Ų1846.4 Ų46.48%0.08426%0.255CS..EExtended strand (participates in β ladder)trans-78.6136.5165.4-69.8-164.8160.700110.2G132 A135 R141 Y145 F159 M168 N169G132-E161 CarbonylContact O-C 3.59Å; G132-E161 VanDerWaalsContact O-CA 3.27Å; G132-E161 WeakPolarHBondContact O-CA 3.4Å; A135-E161 HydrophobicContact CB-CB 4.31Å; R141-E161 IonicContact CZ-OE1 3.8Å; R141-E161 VanDerWaalsContact CZ-OE1 3.31Å; R141-E161 IonicContact CZ-OE2 3.05Å; R141-E161 IonicContact NH1-OE1 2.67Å; R141-E161 PolarHBondContact NH1-OE1 2.94Å; R141-E161 IonicContact NH1-OE2 3.31Å; R141-E161 VanDerWaalsContact NH2-CD 3.31Å; R141-E161 IonicContact NH2-OE1 2.78Å; R141-E161 PolarHBondContact NH2-OE1 2.81Å; R141-E161 IonicContact NH2-OE2 2.68Å; R141-E161 PolarHBondContact NH2-OE2 3.1Å; Y145-E161 VanDerWaalsContact CD2-CD 3.5Å; Y145-E161 HydrophobicContact CD2-CG 3.79Å; Y145-E161 HydrophobicContact CE2-CG 4.01Å; F159-E161 HydrophobicContact CE1-CG 4.46Å; F159-E161 HydrophobicContact CZ-CG 3.87Å; E161-M168 HydrophobicContact CB-CE 4.33Å; E161-M168 WeakPolarHBondContact O-CE 3.38Å; E161-N169 WeakPolarHBondContact O-CB 3.32Å; E161-N169 PolarHBondContact O-ND2 3.27Å
162T98Very high96.4Very high0 Ų048.9 Ų48.90%027%0.27CS..  trans-130.8157.9-174.5600000110.9L36 G132 N133 K134 A135 M160 M168 N169 L173L36-T162 HydrophobicContact CD1-CG2 4.47Å; G132-T162 PolarHBondContact O-N 3.19Å; N133-T162 CarbonylContact C-O 3.57Å; N133-T162 VanDerWaalsContact CA-O 3.29Å; N133-T162 WeakPolarHBondContact CA-O 3.46Å; N133-T162 PolarHBondContact OD1-O 3.24Å; K134-T162 PolarHBondContact N-O 3.34Å; K134-T162 VanDerWaalsContact N-O 3.09Å; A135-T162 WeakPolarHBondContact CB-O 3.49Å; A135-T162 PolarHBondContact N-O 2.89Å; A135-T162 VanDerWaalsContact N-O 3.09Å; M160-T162 HydrophobicContact CG-CG2 4.48Å; T162-M168 WeakPolarHBondContact CA-O 3.39Å; T162-N169 HydrophobicContact CG2-CB 4.11Å; T162-L173 HydrophobicContact CG2-CB 4.39Å; T162-L173 HydrophobicContact CG2-CD2 4Å
163S97.8Very high96.4Very high0 Ų049 Ų490%027%0.27CS..  trans-136.8109.1167.4168.30000109.2D136 K165 T166 A167 M168D136-S163 WeakPolarHBondContact OD1-CB 3.39Å; D136-S163 PolarHBondContact OD1-OG 2.89Å; S163-K165 PolarHBondContact O-N 3.15Å; S163-K165 PolarHBondContact OG-N 2.92Å; S163-T166 WeakPolarHBondContact CB-OG1 3.46Å; S163-T166 PolarHBondContact O-N 2.77Å; S163-T166 PolarHBondContact OG-N 2.86Å; S163-T166 VanDerWaalsContact OG-N 3.07Å; S163-T166 PolarHBondContact OG-OG1 2.92Å; S163-A167 CarbonylContact O-C 3.47Å; S163-A167 WeakPolarHBondContact O-CA 3.4Å; S163-A167 PolarHBondContact O-N 3.14Å; S163-M168 PolarHBondContact N-O 2.86Å; S163-M168 PolarHBondContact O-N 3.44Å
164A96.4Very high96.4Very high2 Ų244.5 Ų44.52%0.01725%0.246CC..THydrogen-bonded Turntrans-59.6-29.6171.400000112.2L36 R39 F45 N133L36-A164 HydrophobicContact CD1-CB 4.43Å; R39-A164 PolarHBondContact NE-O 2.92Å; R39-A164 PolarHBondContact NH2-O 2.95Å; F45-A164 HydrophobicContact CD2-CB 4.08Å; F45-A164 WeakPolarHBondContact CD2-O 3.46Å; F45-A164 HydrophobicContact CE2-CB 4.26Å; N133-A164 PolarHBondContact OD1-N 3.42Å
165K95.8Very high96.4Very high91 Ų9140.2 Ų40.240%0.39622%0.223SC..THydrogen-bonded Turntrans-68.9-49179.8-172.1165.5-176.3161.70111.7R39 F45 E47 S163R39-K165 PolarHBondContact NH2-O 3.39Å; F45-K165 HydrophobicContact CD1-CB 4.45Å; F45-K165 HydrophobicContact CD1-CG 4.19Å; F45-K165 HydrophobicContact CD2-CB 4.41Å; F45-K165 HydrophobicContact CE1-CB 4.08Å; F45-K165 HydrophobicContact CE1-CD 4.11Å; F45-K165 HydrophobicContact CE1-CG 3.78Å; F45-K165 HydrophobicContact CE2-CB 4.04Å; F45-K165 HydrophobicContact CZ-CB 3.87Å; F45-K165 HydrophobicContact CZ-CD 4.26Å; F45-K165 HydrophobicContact CZ-CG 4.04Å; E47-K165 IonicContact OE1-NZ 3.9Å; E47-K165 PolarHBondContact OE1-NZ 3.35Å; S163-K165 PolarHBondContact O-N 3.15Å; S163-K165 PolarHBondContact OG-N 2.92Å
166T95.7Very high96.5Very high85 Ų8539.8 Ų39.852%0.52123%0.225SC..THydrogen-bonded Turntrans-94.3-6.4-177.162.20000114D136 S163 M168D136-T166 HydrophobicContact CB-CG2 3.86Å; S163-T166 WeakPolarHBondContact CB-OG1 3.46Å; S163-T166 PolarHBondContact O-N 2.77Å; S163-T166 PolarHBondContact OG-N 2.86Å; S163-T166 VanDerWaalsContact OG-N 3.07Å; S163-T166 PolarHBondContact OG-OG1 2.92Å; T166-M168 PolarHBondContact O-N 3.13Å; T166-M168 WeakPolarHBondContact OG1-CB 3.47Å; T166-M168 PolarHBondContact OG1-N 3.48Å
167A95.9Very high96.6Very high38 Ų3834.9 Ų34.931%0.31419%0.19SC..  trans65.89.4-170.100000115R39 S163 N169 V170R39-A167 HydrophobicContact CG-CB 4.05Å; S163-A167 CarbonylContact O-C 3.47Å; S163-A167 WeakPolarHBondContact O-CA 3.4Å; S163-A167 PolarHBondContact O-N 3.14Å; A167-N169 PolarHBondContact O-N 2.99Å; A167-V170 PolarHBondContact O-N 3.21Å
168M97.3Very high96.5Very high75 Ų7534.1 Ų34.137%0.36919%0.187SC..THydrogen-bonded Turntrans-57126.9176.9-171.1-170.686.100110.5A135 E161 T162 S163 T166 V170A135-M168 HydrophobicContact CB-CE 3.3Å; A135-M168 HydrophobicContact CB-SD 4.44Å; E161-M168 HydrophobicContact CB-CE 4.33Å; E161-M168 WeakPolarHBondContact O-CE 3.38Å; T162-M168 WeakPolarHBondContact CA-O 3.39Å; S163-M168 PolarHBondContact N-O 2.86Å; S163-M168 PolarHBondContact O-N 3.44Å; T166-M168 PolarHBondContact O-N 3.13Å; T166-M168 WeakPolarHBondContact OG1-CB 3.47Å; T166-M168 PolarHBondContact OG1-N 3.48Å; M168-V170 PolarHBondContact O-N 3.11Å
169N96.4Very high96.3Very high56 Ų5639 Ų3930%0.29921%0.206SC..THydrogen-bonded Turntrans58.89173.1-72.9-9.2000115.7M160 E161 T162 A167 L173M160-N169 HydrophobicContact CG-CB 3.71Å; M160-N169 HydrophobicContact SD-CB 3.57Å; M160-N169 VanDerWaalsContact SD-CB 3.57Å; M160-N169 VanDerWaalsContact SD-O 3.37Å; E161-N169 WeakPolarHBondContact O-CB 3.32Å; E161-N169 PolarHBondContact O-ND2 3.27Å; T162-N169 HydrophobicContact CG2-CB 4.11Å; A167-N169 PolarHBondContact O-N 2.99Å; N169-L173 WeakPolarHBondContact O-CB 3.35Å; N169-L173 PolarHBondContact O-N 3.11Å
170V96.8Very high96Very high0 Ų043 Ų430%022%0.224CC..Hα-helixtrans-67.6-53.6-179.4179.90000109.7L36 R39 F40 A167 M168 D172 L173 F174L36-V170 HydrophobicContact CD1-CB 4.4Å; L36-V170 HydrophobicContact CD1-CG1 4.09Å; L36-V170 HydrophobicContact CD1-CG2 3.71Å; R39-V170 HydrophobicContact CB-CG1 4.38Å; R39-V170 HydrophobicContact CG-CB 4.39Å; R39-V170 HydrophobicContact CG-CG1 4.14Å; R39-V170 HydrophobicContact CG-CG2 4.12Å; F40-V170 HydrophobicContact CB-CG1 3.89Å; A167-V170 PolarHBondContact O-N 3.21Å; M168-V170 PolarHBondContact O-N 3.11Å; V170-D172 VanDerWaalsContact C-N 3.33Å; V170-D172 PolarHBondContact O-N 3.03Å; V170-L173 PolarHBondContact O-N 3.26Å; V170-F174 HydrophobicContact CG1-CD2 4.44Å; V170-F174 HydrophobicContact CG1-CE2 4.19Å; V170-F174 WeakPolarHBondContact O-CD2 3.48Å; V170-F174 PolarHBondContact O-N 3.16Å
171N95.5Very high95.7Very high95 Ų9541.3 Ų41.351%0.50822%0.215SC..Hα-helixtrans-65.5-38.8179.6-66.6-51.8000111.9L173 F174 L175N171-L173 VanDerWaalsContact C-N 3.31Å; N171-L173 PolarHBondContact O-N 3.15Å; N171-F174 PolarHBondContact O-N 3.24Å; N171-L175 VanDerWaalsContact O-CB 3.26Å; N171-L175 WeakPolarHBondContact O-CB 3.44Å; N171-L175 PolarHBondContact O-N 3.02Å
172D96.4Very high95.1Very high79 Ų7944.1 Ų44.142%0.42224%0.235SC..Hα-helixtrans-63.5-37.1-179.6-58.7-62.4000112.1M160 V170 L175 A176M160-D172 HydrophobicContact CE-CB 3.9Å; M160-D172 HydrophobicContact SD-CB 3.78Å; V170-D172 VanDerWaalsContact C-N 3.33Å; V170-D172 PolarHBondContact O-N 3.03Å; D172-L175 PolarHBondContact O-N 3.2Å; D172-A176 VanDerWaalsContact O-CB 3.25Å; D172-A176 WeakPolarHBondContact O-CB 3.01Å; D172-A176 PolarHBondContact O-N 2.68Å
173L97.4Very high94.2Very high2 Ų247.9 Ų47.91%0.0125%0.251CS..Hα-helixtrans-60.2-52.5174.2176.362.6000111.5L36 I97 A129 A131 M160 T162 N169 V170 N171 L175 A176 I177L36-L173 HydrophobicContact CD2-CD2 4.2Å; I97-L173 HydrophobicContact CD1-CD2 4.17Å; I97-L173 HydrophobicContact CD1-CG 4.44Å; I97-L173 HydrophobicContact CG2-CD2 4.11Å; A129-L173 HydrophobicContact CB-CD1 3.94Å; A131-L173 HydrophobicContact CB-CD2 3.83Å; M160-L173 HydrophobicContact CB-CD1 4.27Å; M160-L173 HydrophobicContact SD-CB 3.94Å; M160-L173 PolarHBondContact SD-N 2.84Å; M160-L173 VanDerWaalsContact SD-N 3.43Å; T162-L173 HydrophobicContact CG2-CB 4.39Å; T162-L173 HydrophobicContact CG2-CD2 4Å; N169-L173 WeakPolarHBondContact O-CB 3.35Å; N169-L173 PolarHBondContact O-N 3.11Å; V170-L173 PolarHBondContact O-N 3.26Å; N171-L173 VanDerWaalsContact C-N 3.31Å; N171-L173 PolarHBondContact O-N 3.15Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 3.16Å; L173-A176 PolarHBondContact O-N 3.35Å; L173-I177 HydrophobicContact CD1-CD1 4.22Å; L173-I177 HydrophobicContact CG-CD1 4.28Å; L173-I177 WeakPolarHBondContact O-CG1 3.28Å; L173-I177 PolarHBondContact O-N 2.72Å; L173-I177 VanDerWaalsContact O-N 3.09Å
174F96.4Very high92.5Very high0 Ų052.1 Ų52.10%028%0.281CS..Hα-helixtrans-66-35.1179.1-71.8-81.4000112.1L23 F40 F71 I73 I97 V170 N171 I177 A178L23-F174 HydrophobicContact CD1-CD1 4.16Å; L23-F174 HydrophobicContact CD1-CE1 4.15Å; L23-F174 HydrophobicContact CD2-CE1 4.27Å; F40-F174 HydrophobicContact CB-CD2 3.86Å; F40-F174 HydrophobicContact CB-CE2 3.51Å; F40-F174 HydrophobicContact CB-CZ 4.14Å; F40-F174 AromaticContact CD1-CD1 3.83Å; F40-F174 HydrophobicContact CD1-CD1 3.83Å; F40-F174 AromaticContact CD1-CD2 3.66Å; F40-F174 HydrophobicContact CD1-CD2 3.66Å; F40-F174 AromaticContact CD1-CE1 3.81Å; F40-F174 HydrophobicContact CD1-CE1 3.81Å; F40-F174 AromaticContact CD1-CE2 3.69Å; F40-F174 HydrophobicContact CD1-CE2 3.69Å; F40-F174 AromaticContact CD1-CG 3.77Å; F40-F174 HydrophobicContact CD1-CG 3.77Å; F40-F174 AromaticContact CD1-CZ 3.76Å; F40-F174 HydrophobicContact CD1-CZ 3.76Å; F40-F174 HydrophobicContact CD2-CB 4.12Å; F40-F174 AromaticContact CD2-CD2 3.4Å; F40-F174 HydrophobicContact CD2-CD2 3.4Å; F40-F174 AromaticContact CD2-CE2 4Å; F40-F174 HydrophobicContact CD2-CE2 4Å; F40-F174 AromaticContact CD2-CG 3.84Å; F40-F174 HydrophobicContact CD2-CG 3.84Å; F40-F174 HydrophobicContact CE1-CB 4.07Å; F40-F174 AromaticContact CE1-CD1 3.6Å; F40-F174 HydrophobicContact CE1-CD1 3.6Å; F40-F174 AromaticContact CE1-CD2 3.98Å; F40-F174 HydrophobicContact CE1-CD2 3.98Å; F40-F174 AromaticContact CE1-CE1 3.99Å; F40-F174 HydrophobicContact CE1-CE1 3.99Å; F40-F174 HydrophobicContact CE1-CE2 4.38Å; F40-F174 AromaticContact CE1-CG 3.61Å; F40-F174 HydrophobicContact CE1-CG 3.61Å; F40-F174 HydrophobicContact CE1-CZ 4.38Å; F40-F174 HydrophobicContact CE2-CB 3.56Å; F40-F174 AromaticContact CE2-CD2 3.77Å; F40-F174 HydrophobicContact CE2-CD2 3.77Å; F40-F174 AromaticContact CE2-CG 3.71Å; F40-F174 HydrophobicContact CE2-CG 3.71Å; F40-F174 HydrophobicContact CG-CD1 4.37Å; F40-F174 AromaticContact CG-CD2 3.34Å; F40-F174 HydrophobicContact CG-CD2 3.34Å; F40-F174 HydrophobicContact CG-CE1 4.42Å; F40-F174 AromaticContact CG-CE2 3.45Å; F40-F174 HydrophobicContact CG-CE2 3.45Å; F40-F174 VanDerWaalsContact CG-CE2 3.45Å; F40-F174 AromaticContact CG-CG 3.87Å; F40-F174 HydrophobicContact CG-CG 3.87Å; F40-F174 HydrophobicContact CG-CZ 4.01Å; F40-F174 HydrophobicContact CZ-CB 3.53Å; F40-F174 AromaticContact CZ-CD1 3.99Å; F40-F174 HydrophobicContact CZ-CD1 3.99Å; F40-F174 HydrophobicContact CZ-CD2 4.04Å; F40-F174 AromaticContact CZ-CG 3.59Å; F40-F174 HydrophobicContact CZ-CG 3.59Å; F71-F174 HydrophobicContact CD2-CD1 4.4Å; F71-F174 HydrophobicContact CE2-CB 4.23Å; F71-F174 HydrophobicContact CE2-CD1 4.38Å; I73-F174 HydrophobicContact CD1-CE1 4.27Å; I97-F174 HydrophobicContact CD1-CD1 4.14Å; I97-F174 HydrophobicContact CD1-CE1 3.56Å; I97-F174 HydrophobicContact CD1-CZ 3.79Å; V170-F174 HydrophobicContact CG1-CD2 4.44Å; V170-F174 HydrophobicContact CG1-CE2 4.19Å; V170-F174 WeakPolarHBondContact O-CD2 3.48Å; V170-F174 PolarHBondContact O-N 3.16Å; N171-F174 PolarHBondContact O-N 3.24Å; F174-I177 PolarHBondContact O-N 3.22Å; F174-A178 WeakPolarHBondContact O-CB 3.32Å; F174-A178 PolarHBondContact O-N 2.9Å
175L95.3Very high90.1Very high47 Ų4759.6 Ų59.625%0.24632%0.316CS..Hα-helixtrans-66-42.9175.1-176.567.4000111.9V62 L64 N171 D172 L173 I177 A178 K179V62-L175 HydrophobicContact CG1-CD1 3.68Å; L64-L175 HydrophobicContact CD2-CD1 3.35Å; N171-L175 VanDerWaalsContact O-CB 3.26Å; N171-L175 WeakPolarHBondContact O-CB 3.44Å; N171-L175 PolarHBondContact O-N 3.02Å; D172-L175 PolarHBondContact O-N 3.2Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 3.16Å; L175-I177 VanDerWaalsContact C-N 3.33Å; L175-I177 PolarHBondContact O-N 3.33Å; L175-A178 PolarHBondContact O-N 3.44Å; L175-K179 HydrophobicContact CG-CD 4.46Å; L175-K179 WeakPolarHBondContact O-CG 3.48Å; L175-K179 PolarHBondContact O-N 3.13Å
176A95.6Very high87.7Confident30 Ų3060.1 Ų60.125%0.24833%0.329CS..Hα-helixtrans-62.5-41.6177.200000111.5L158 D172 L173 K179 K180L158-A176 HydrophobicContact CD1-CB 4.44Å; D172-A176 VanDerWaalsContact O-CB 3.25Å; D172-A176 WeakPolarHBondContact O-CB 3.01Å; D172-A176 PolarHBondContact O-N 2.68Å; L173-A176 PolarHBondContact O-N 3.35Å; A176-K179 PolarHBondContact O-N 3.13Å; A176-K180 PolarHBondContact O-N 3.02Å; A176-K180 VanDerWaalsContact O-N 3.16Å
177I95.5Very high85Confident0 Ų064.7 Ų64.70%034%0.344CS..Hα-helixtrans-62.8-48173.5-65.3164.9000110.3L23 F71 A95 I97 A129 L158 L173 F174 L175 K179 K180 L181L23-I177 HydrophobicContact CD1-CD1 4.24Å; L23-I177 HydrophobicContact CD1-CG2 4.24Å; F71-I177 HydrophobicContact CE1-CG2 4.08Å; F71-I177 HydrophobicContact CZ-CB 4.44Å; F71-I177 HydrophobicContact CZ-CG2 4.1Å; A95-I177 HydrophobicContact CB-CG2 3.62Å; I97-I177 HydrophobicContact CD1-CD1 3.65Å; I97-I177 HydrophobicContact CG1-CD1 3.56Å; A129-I177 HydrophobicContact CB-CD1 3.81Å; A129-I177 HydrophobicContact CB-CG1 4.01Å; L158-I177 HydrophobicContact CD1-CG1 3.91Å; L173-I177 HydrophobicContact CD1-CD1 4.22Å; L173-I177 HydrophobicContact CG-CD1 4.28Å; L173-I177 WeakPolarHBondContact O-CG1 3.28Å; L173-I177 PolarHBondContact O-N 2.72Å; L173-I177 VanDerWaalsContact O-N 3.09Å; F174-I177 PolarHBondContact O-N 3.22Å; L175-I177 VanDerWaalsContact C-N 3.33Å; L175-I177 PolarHBondContact O-N 3.33Å; I177-K179 PolarHBondContact O-N 3.04Å; I177-K180 PolarHBondContact O-N 3.31Å; I177-K180 VanDerWaalsContact O-N 3.09Å; I177-L181 HydrophobicContact CG2-CD1 4Å; I177-L181 HydrophobicContact CG2-CG 4.37Å; I177-L181 WeakPolarHBondContact O-CG 3.35Å; I177-L181 PolarHBondContact O-N 3.14Å; I177-L181 VanDerWaalsContact O-N 3.1Å
178A94.1Very high82.3Confident0 Ų070.2 Ų70.20%037%0.368CS..Hα-helixtrans-58.3-34.3178.800000112.7L64 V69 F71 F174 L175L64-A178 HydrophobicContact CD1-CB 4.23Å; L64-A178 HydrophobicContact CD2-CB 4.33Å; V69-A178 HydrophobicContact CB-CB 4.08Å; V69-A178 HydrophobicContact CG1-CB 4.01Å; V69-A178 HydrophobicContact CG2-CB 4.13Å; F71-A178 HydrophobicContact CE2-CB 4.11Å; F71-A178 HydrophobicContact CZ-CB 3.81Å; F174-A178 WeakPolarHBondContact O-CB 3.32Å; F174-A178 PolarHBondContact O-N 2.9Å; L175-A178 PolarHBondContact O-N 3.44Å
179K92.9Very high79.9Confident134 Ų13474.9 Ų74.958%0.58339%0.394SS*.Hα-helixtrans-71.7-36.5175.9-73.9173.6179.2177.70113.1L64 L175 A176 I177L64-K179 HydrophobicContact CD2-CG 4.25Å; L175-K179 HydrophobicContact CG-CD 4.46Å; L175-K179 WeakPolarHBondContact O-CG 3.48Å; L175-K179 PolarHBondContact O-N 3.13Å; A176-K179 PolarHBondContact O-N 3.13Å; I177-K179 PolarHBondContact O-N 3.04Å
180K91.9Very high77Confident111 Ų11175 Ų7548%0.48341%0.408SS..Hα-helixtrans-76.6-23178.6-95.3-159.5-179.9174.60113.8V127 L158 A176 I177V127-K180 HydrophobicContact CG1-CB 4.03Å; V127-K180 HydrophobicContact CG1-CD 4.11Å; V127-K180 HydrophobicContact CG2-CB 4.19Å; L158-K180 HydrophobicContact CD1-CD 3.92Å; L158-K180 HydrophobicContact CD1-CG 4.44Å; L158-K180 HydrophobicContact CD2-CD 3.82Å; L158-K180 VanDerWaalsContact CD2-CE 3.47Å; L158-K180 HydrophobicContact CG-CD 3.87Å; A176-K180 PolarHBondContact O-N 3.02Å; A176-K180 VanDerWaalsContact O-N 3.16Å; I177-K180 PolarHBondContact O-N 3.31Å; I177-K180 VanDerWaalsContact O-N 3.09Å
181L91.2Very high74.4Confident4 Ų478.3 Ų78.32%0.02144%0.443CS..SBendtrans-68.3140.5-177.2-76.3167.6000112F21 F71 Q94 A95 V127 I177 K183F21-L181 HydrophobicContact CB-CD1 3.93Å; F21-L181 HydrophobicContact CD1-CD1 4.23Å; F21-L181 HydrophobicContact CD1-CD2 4.22Å; F21-L181 HydrophobicContact CD2-CB 4.41Å; F21-L181 HydrophobicContact CD2-CD1 3.78Å; F21-L181 HydrophobicContact CE1-CB 4.25Å; F21-L181 HydrophobicContact CE2-CB 4.11Å; F21-L181 HydrophobicContact CE2-CD1 4.31Å; F21-L181 HydrophobicContact CG-CD1 3.72Å; F21-L181 HydrophobicContact CZ-CB 4.03Å; F71-L181 HydrophobicContact CE1-CD1 3.72Å; F71-L181 HydrophobicContact CZ-CD1 4.32Å; Q94-L181 HydrophobicContact CB-CD2 3.86Å; Q94-L181 WeakPolarHBondContact O-CD2 3.35Å; A95-L181 HydrophobicContact CB-CD1 4.45Å; A95-L181 HydrophobicContact CB-CD2 4.34Å; V127-L181 HydrophobicContact CB-CD2 4.4Å; V127-L181 HydrophobicContact CG2-CD2 3.94Å; V127-L181 HydrophobicContact CG2-CG 4.45Å; I177-L181 HydrophobicContact CG2-CD1 4Å; I177-L181 HydrophobicContact CG2-CG 4.37Å; I177-L181 WeakPolarHBondContact O-CG 3.35Å; I177-L181 PolarHBondContact O-N 3.14Å; I177-L181 VanDerWaalsContact O-N 3.1Å; L181-K183 WeakPolarHBondContact O-CG 3.14Å; L181-K183 PolarHBondContact O-N 3.34Å
182P85.4Confident71.6Confident77 Ų7780.5 Ų80.550%0.546%0.459SS..  trans-67.8108.5179.727.3-33000109.6F21 S184F21-P182 WeakPolarHBondContact CZ-O 3.16Å; P182-S184 PolarHBondContact O-N 3.36Å; P182-S184 VanDerWaalsContact O-N 3.07Å
183K79.7Confident68.9Low79 Ų7980.6 Ų80.634%0.34347%0.471SS..  trans-8126.3179.7-52.7176.5-166.6172.20112.6K17 L64 T67 L181K17-K183 PolarHBondContact NZ-O 3.45Å; L64-K183 HydrophobicContact CD1-CD 4.36Å; L64-K183 VanDerWaalsContact CD1-NZ 3.33Å; T67-K183 HydrophobicContact CG2-CD 4.46Å; L181-K183 WeakPolarHBondContact O-CG 3.14Å; L181-K183 PolarHBondContact O-N 3.34Å
184S60.2Low65.9Low89 Ų8985.8 Ų85.862%0.62251%0.507SS*.  trans-47.7144.5179-47.40000109.9K17 P182K17-S184 VanDerWaalsContact NZ-C 3.29Å; K17-S184 PolarHBondContact NZ-O 3.43Å; P182-S184 PolarHBondContact O-N 3.36Å; P182-S184 VanDerWaalsContact O-N 3.07Å
185E47.7Very low63.2Low159 Ų15997.1 Ų97.174%0.74355%0.549SS*.  trans-43.1145171.1-79.1178.8148.900110.5Q187E185-Q187 PolarHBondContact O-N 3.25Å
186P43.7Very low60.6Low103 Ų10399.7 Ų99.767%0.66957%0.571SS**  trans-52.9105.2164.324.4-29.9000104.7N188P186-N188 PolarHBondContact O-N 2.95Å
187Q40.3Very low58.1Low181 Ų181109.8 Ų109.885%0.84660%0.603SS**  trans-55.8105.4151.6-88.1-170.6-10.400101.7E185 L189E185-Q187 PolarHBondContact O-N 3.25Å; Q187-L189 PolarHBondContact O-N 3.28Å
188N38.6Very low55.3Low153 Ų153112.3 Ų112.382%0.81863%0.629SS**  trans-34.2105.5155.5-114.3-38.2000104.9P186 G190P186-N188 PolarHBondContact O-N 2.95Å; N188-G190 PolarHBondContact O-N 2.75Å
189L46.3Very low53.1Low174 Ų174118.4 Ų118.491%0.91167%0.666SS**  trans-66.763.7150.9-82.4135.4000105.1Q187 G191Q187-L189 PolarHBondContact O-N 3.28Å; L189-G191 PolarHBondContact O-N 3.17Å; L189-G191 VanDerWaalsContact O-N 3.12Å
190G36.4Very low50.8Low57 Ų57119.5 Ų119.559%0.58868%0.678SS**  trans-68105.2167.400000105.1N188 T192N188-G190 PolarHBondContact O-N 2.75Å; G190-T192 PolarHBondContact O-N 3.43Å
191G41.4Very low48.5Very low71 Ų71122 Ų12273%0.73270%0.696SS**  trans27.184.2156.900000116.5L189 A193L189-G191 PolarHBondContact O-N 3.17Å; L189-G191 VanDerWaalsContact O-N 3.12Å; G191-A193 PolarHBondContact O-N 2.81Å; G191-A193 VanDerWaalsContact O-N 3.07Å
192T37.7Very low45.9Very low140 Ų140129.5 Ų129.586%0.85973%0.731SS**  trans-75.190.3138.9-27.30000105.3G190 C194G190-T192 PolarHBondContact O-N 3.43Å; T192-C194 PolarHBondContact O-N 3.15Å
193A40.3Very low44Very low82 Ų82134.4 Ų134.468%0.67875%0.747SS**  trans-41.9117.5161.600000107G191 R195G191-A193 PolarHBondContact O-N 2.81Å; G191-A193 VanDerWaalsContact O-N 3.07Å; A193-R195 PolarHBondContact O-N 2.95Å
194C34.2Very low42Very low111 Ų111138 Ų13875%0.7577%0.765SS**  trans-50.498.6157.7-169.30000105.5T192 S196T192-C194 PolarHBondContact O-N 3.15Å; C194-S196 PolarHBondContact O-N 2.98Å
195R38.9Very low41.2Very low238 Ų238138.9 Ų138.990%0.89877%0.771SS**  trans-65.987.6152.7-91.7-177.4171.7176.1-2.8103.5A193 R197A193-R195 PolarHBondContact O-N 2.95Å; R195-R197 PolarHBondContact O-N 3.33Å
196S40.4Very low40.8Very low100 Ų100138.6 Ų138.670%0.69977%0.77SS**  trans-45.8102.1152.2-76.30000105.7C194 G198C194-S196 PolarHBondContact O-N 2.98Å; S196-G198 PolarHBondContact O-N 3.11Å
197R44.2Very low40.7Very low242 Ų242142.2 Ų142.291%0.91378%0.778SS**  trans-68.678.7146-76.8-172.8-173.2177.62.6104.3R195 V199R195-R197 PolarHBondContact O-N 3.33Å; R197-V199 PolarHBondContact O-N 3.07Å
198G35.8Very low40.4Very low54 Ų54141 Ų14156%0.55778%0.777SS**  trans-55.9122.9160.700000105.8S196 D200S196-G198 PolarHBondContact O-N 3.11Å; G198-D200 VanDerWaalsContact C-N 3.29Å; G198-D200 PolarHBondContact O-N 2.65Å; G198-D200 VanDerWaalsContact O-N 3.14Å
199V48.8Very low40.4Very low128 Ų128142.4 Ų142.478%0.77678%0.776SS**  trans-75.196.3164.7-159.30000103.8R197 L201R197-V199 PolarHBondContact O-N 3.07Å; V199-L201 VanDerWaalsContact C-N 3.33Å; V199-L201 PolarHBondContact O-N 3.27Å
200D42.7Very low40.3Very low156 Ų156138.9 Ų138.983%0.83477%0.766SS**  trans-68.696.4170.6-84.6-44.8000107.6G198 H202G198-D200 VanDerWaalsContact C-N 3.29Å; G198-D200 PolarHBondContact O-N 2.65Å; G198-D200 VanDerWaalsContact O-N 3.14Å; D200-H202 PolarHBondContact O-N 2.95Å
201L44.3Very low40.6Very low164 Ų164145.7 Ų145.786%0.85978%0.782SS**  trans-74.471.5163.6-76.3161.9000107.8V199 E203V199-L201 VanDerWaalsContact C-N 3.33Å; V199-L201 PolarHBondContact O-N 3.27Å; L201-E203 PolarHBondContact O-N 2.93Å
202H37.9Very low40.3Very low162 Ų162148 Ų14875%0.7579%0.786SS**  trans-88.296.9160.9-142.964.8000108.2D200 Q204D200-H202 PolarHBondContact O-N 2.95Å; H202-Q204 PolarHBondContact O-N 2.93Å
203E44.2Very low40.5Very low180 Ų180147 Ų14784%0.84178%0.783SS**  trans-52.1101.4169.4-163.2174.6173.700110L201L201-E203 PolarHBondContact O-N 2.93Å
204Q38.4Very low40.7Very low154 Ų154148.1 Ų148.172%0.7279%0.786SS**  trans-107.593.7158.8-76.9-172.80.800108.1H202 Q206H202-Q204 PolarHBondContact O-N 2.93Å; Q204-Q206 PolarHBondContact O-N 3.43Å
205S42.4Very low41.1Very low107 Ų107154.2 Ų154.275%0.74881%0.811SS**  trans-56.5102.1160.452.40000109.9
206Q40.4Very low41.2Very low154 Ų154150.1 Ų150.172%0.7281%0.807SS**  trans-116.187.9157.7-76.1-171.83.700109.1Q204 N208Q204-Q206 PolarHBondContact O-N 3.43Å; Q206-N208 PolarHBondContact O-N 3.43Å; Q206-N208 VanDerWaalsContact O-N 3.14Å
207Q41Very low41.2Very low179 Ų179152.7 Ų152.784%0.83681%0.813SS**  trans-63.499.4153.5-76177.3-13.700107.8K209Q207-K209 PolarHBondContact O-N 2.92Å
208N35.1Very low41.1Very low156 Ų156147.7 Ų147.783%0.83481%0.807SS**  trans-78.2100.6163.4-103.4-10.3000108.9Q206Q206-N208 PolarHBondContact O-N 3.43Å; Q206-N208 VanDerWaalsContact O-N 3.14Å
209K38.1Very low41.4Very low181 Ų181153.2 Ų153.279%0.78782%0.822SS**  trans-76.5124.7168.5-111.9178.4178.71770109.8Q207Q207-K209 PolarHBondContact O-N 2.92Å
210S43.7Very low40.9Very low101 Ų101154.8 Ų154.871%0.70683%0.825SS**  trans42.7117.2139.862.40000119.8
211Q42.4Very low40.8Very low200 Ų200154.7 Ų154.794%0.93582%0.824SS**  trans-152.9111.5131.2-149.9153.6000111.9
212C35.6Very low40.5Very low120 Ų120154.1 Ų154.181%0.81182%0.822SS**  trans-112.9128.6164.7174.90000105.8
213C42.2Very low40.7Very low117 Ų117153.5 Ų153.579%0.79183%0.827SS**  trans178.5114.6148.4-94.60000110.9
214S43.9Very low40.4Very low107 Ų107151.3 Ų151.375%0.74883%0.826SS**  trans51.8117.1131.8-37.20000121.8
215N42.1Very low40.6Very low239 Ų239151 Ų151100%1.27884%0.836SS**  -160.10103.3-114.512.3000110.9

Retrieved 215 of 215 residues in 273.3 ms (Link to these results)

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