A0A087XW83_POEFO Loading...

HCLS1 associated protein X-1

AlphaFold DB , UniProt , Accession A0A087XW83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 293 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
1M52Low60.5Low240 Ų240115.2 Ų115.2100%1.18258%0.58SS**  0129.80-86.6169.4158.200107.2
2S59.7Low59.8Low46 Ų46110.5 Ų110.532%0.32258%0.583SS.*  trans-76.6140.6-177.6-175.10000110.2F4 D5S2-F4 PolarHBondContact O-N 2.81Å; S2-F4 WeakPolarHBondContact OG-CD2 3.36Å; S2-F4 PolarHBondContact OG-N 2.96Å; S2-D5 PolarHBondContact O-N 2.83Å
3V64.6Low59.2Low30 Ų30108.8 Ų108.818%0.18258%0.579CS.*Hα-helixtrans-56.6-29.1173.3-79.40000112D5 L6 F7 M86V3-D5 VanDerWaalsContact C-N 3.28Å; V3-D5 PolarHBondContact O-N 3.1Å; V3-L6 PolarHBondContact O-N 3.43Å; V3-F7 VanDerWaalsContact O-CD2 3.3Å; V3-F7 WeakPolarHBondContact O-CD2 3.09Å; V3-F7 PolarHBondContact O-N 3.38Å; V3-F7 VanDerWaalsContact O-N 3.15Å; V3-M86 HydrophobicContact CB-CE 4.29Å; V3-M86 HydrophobicContact CG1-CE 3.93Å; V3-M86 HydrophobicContact CG2-CE 4.27Å
4F60.6Low58.5Low90 Ų90108.9 Ų108.940%0.39559%0.589SS.*Hα-helixtrans-61-33.7175-70.6-88.6000113.2S2 R8 L83S2-F4 PolarHBondContact O-N 2.81Å; S2-F4 WeakPolarHBondContact OG-CD2 3.36Å; S2-F4 PolarHBondContact OG-N 2.96Å; F4-R8 WeakPolarHBondContact O-CG 3.24Å; F4-R8 PolarHBondContact O-N 3.07Å; F4-L83 HydrophobicContact CD1-CD1 4.12Å; F4-L83 HydrophobicContact CE1-CD1 3.31Å; F4-L83 HydrophobicContact CE2-CB 4.12Å; F4-L83 HydrophobicContact CE2-CD1 3.98Å; F4-L83 HydrophobicContact CZ-CB 3.85Å; F4-L83 HydrophobicContact CZ-CD1 3.24Å; F4-L83 HydrophobicContact CZ-CG 4.2Å
5D62.3Low57.5Low106 Ų106104.3 Ų104.357%0.56758%0.577SS**Hα-helixtrans-75.2-34.2176.9-79.3-26.2000112.1S2 V3 R8 G9S2-D5 PolarHBondContact O-N 2.83Å; V3-D5 VanDerWaalsContact C-N 3.28Å; V3-D5 PolarHBondContact O-N 3.1Å; D5-R8 PolarHBondContact O-N 3.34Å; D5-G9 PolarHBondContact O-N 2.91Å; D5-G9 VanDerWaalsContact O-N 3.1Å
6L68.6Low57.1Low130 Ų130101.5 Ų101.568%0.68158%0.579SS**Hα-helixtrans-65.7-43177.7-174.963.7000111.3V3 G9 F10V3-L6 PolarHBondContact O-N 3.43Å; L6-G9 PolarHBondContact O-N 3.23Å; L6-F10 PolarHBondContact O-N 3.09Å
7F60.1Low56.5Low112 Ų112106.1 Ų106.149%0.49159%0.594SS.*Hα-helixtrans-70.9-35.8177.6-81.7-76000112.9V3 G9 F10 F11V3-F7 VanDerWaalsContact O-CD2 3.3Å; V3-F7 WeakPolarHBondContact O-CD2 3.09Å; V3-F7 PolarHBondContact O-N 3.38Å; V3-F7 VanDerWaalsContact O-N 3.15Å; F7-G9 VanDerWaalsContact C-N 3.32Å; F7-G9 PolarHBondContact O-N 2.92Å; F7-F10 PolarHBondContact O-N 2.82Å; F7-F11 HydrophobicContact CD1-CD2 4.4Å; F7-F11 HydrophobicContact CD1-CE2 4.01Å; F7-F11 WeakPolarHBondContact O-CD2 3.27Å; F7-F11 PolarHBondContact O-N 3.31Å; F7-F11 VanDerWaalsContact O-N 3.13Å
8R61.9Low55.5Low143 Ų143111.5 Ų111.554%0.5461%0.611SS.*Hα-helixtrans-63.8-36.9173.6-80.8-178.2176.6-173.7-0.5112.8F4 D5 F10 G12F4-R8 WeakPolarHBondContact O-CG 3.24Å; F4-R8 PolarHBondContact O-N 3.07Å; D5-R8 PolarHBondContact O-N 3.34Å; R8-F10 VanDerWaalsContact C-N 3.31Å; R8-F10 PolarHBondContact O-N 3.43Å; R8-G12 PolarHBondContact O-N 2.92Å
9G55.4Low55.2Low68 Ų68119.5 Ų119.570%0.70163%0.631SS**Hα-helixtrans-65.2-32.7175.200000113.4D5 L6 F7D5-G9 PolarHBondContact O-N 2.91Å; D5-G9 VanDerWaalsContact O-N 3.1Å; L6-G9 PolarHBondContact O-N 3.23Å; F7-G9 VanDerWaalsContact C-N 3.32Å; F7-G9 PolarHBondContact O-N 2.92Å
10F60.8Low54.8Low164 Ų164116.9 Ų116.972%0.71963%0.634SS**Hα-helixtrans-79.3-39.9-179.1-171.9-94.7000113.3L6 F7 R8L6-F10 PolarHBondContact O-N 3.09Å; F7-F10 PolarHBondContact O-N 2.82Å; R8-F10 VanDerWaalsContact C-N 3.31Å; R8-F10 PolarHBondContact O-N 3.43Å
11F59.7Low54.7Low138 Ų138123.2 Ų123.261%0.60565%0.648SS**Hα-helixtrans-96.95.3-176.2-70-74.3000114.5F7 V13F7-F11 HydrophobicContact CD1-CD2 4.4Å; F7-F11 HydrophobicContact CD1-CE2 4.01Å; F7-F11 WeakPolarHBondContact O-CD2 3.27Å; F7-F11 PolarHBondContact O-N 3.31Å; F7-F11 VanDerWaalsContact O-N 3.13Å; F11-V13 HydrophobicContact CB-CG2 4.29Å; F11-V13 PolarHBondContact O-N 3.29Å; F11-V13 VanDerWaalsContact O-N 3.09Å
12G52.4Low54.6Low59 Ų59122.5 Ų122.561%0.60863%0.633SS**THydrogen-bonded Turntrans62.619.9171.500000115.2R8 P14R8-G12 PolarHBondContact O-N 2.92Å; G12-P14 WeakPolarHBondContact O-CD 3.27Å
13V51.6Low54.1Low89 Ų89125.2 Ų125.254%0.53964%0.644SS.*  trans-71116.3-179.7-175.90000108.7F11 G15F11-V13 HydrophobicContact CB-CG2 4.29Å; F11-V13 PolarHBondContact O-N 3.29Å; F11-V13 VanDerWaalsContact O-N 3.09Å; V13-G15 PolarHBondContact O-N 3.46Å
14P48.9Very low53.8Low110 Ų110128.9 Ų128.971%0.71467%0.668SS**  trans-76.588.8-173.729.9-31000110.1G12G12-P14 WeakPolarHBondContact O-CD 3.27Å
15G44.5Very low53.6Low40 Ų40132.2 Ų132.241%0.41268%0.682SS.*  trans-75.3118.1156.700000108.2V13V13-G15 PolarHBondContact O-N 3.46Å
16G50.6Low53.1Low59 Ų59133.5 Ų133.561%0.60868%0.683SS**SBendtrans-53.4157.5-165.100000116.6
17H47Very low52.3Low180 Ų180133.1 Ų133.183%0.83368%0.682SS**  trans91.761.4170.1-45.980.9000117.1
18F38.6Very low51.8Low203 Ų203131.7 Ų131.789%0.8969%0.691SS**  trans-130.7102.5145.4-69.5-78.7000110.1G20F18-G20 PolarHBondContact O-N 2.9Å
19R49.3Very low51.2Low264 Ų264131.7 Ų131.7100%0.99670%0.699SS**  trans-66.7113.1155.5-77.7-179.1175.5178.7-1.5106.7
20G47.5Very low51.2Low67 Ų67134 Ų13469%0.69170%0.7SS**SBendtrans159.297.2168.300000114.1F18F18-G20 PolarHBondContact O-N 2.9Å
21R51.8Low50.6Low249 Ų249133 Ų13394%0.9470%0.697SS**  trans40.194.1158.4-83.9177.4165.3-111.8-0.7116.3
22R51.3Low50.1Low226 Ų226133.5 Ų133.585%0.85371%0.706SS**  trans-65.5143.7155.6-84.4179.8163.9169.5-6.6109.7
23D48.7Very low49.9Very low103 Ų103136.7 Ų136.755%0.55171%0.709SS**  trans-71.2124.7-176.9-160-4.3000109.3F25 F26D23-F25 PolarHBondContact O-N 3.32Å; D23-F26 HydrophobicContact CB-CD2 4.28Å; D23-F26 PolarHBondContact O-N 2.91Å; D23-F26 VanDerWaalsContact O-N 3.14Å
24P58.6Low50Low106 Ų106140.3 Ų140.369%0.68873%0.725SS**G310 helixtrans-57.6-12.5-177.520-33.1000114.3F26P24-F26 VanDerWaalsContact C-N 3.3Å; P24-F26 PolarHBondContact O-N 3.39Å
25F56.8Low50.1Low160 Ų160142.5 Ų142.570%0.70273%0.731SS**G310 helixtrans-65.2-29176.1-152.7-91.3000113.8D23D23-F25 PolarHBondContact O-N 3.32Å
26F50.7Low50.5Low133 Ų133149.6 Ų149.658%0.58375%0.754SS**G310 helixtrans-98.4-4.3-176.3-66.3-81.9000114.1D23 P24 M29D23-F26 HydrophobicContact CB-CD2 4.28Å; D23-F26 PolarHBondContact O-N 2.91Å; D23-F26 VanDerWaalsContact O-N 3.14Å; P24-F26 VanDerWaalsContact C-N 3.3Å; P24-F26 PolarHBondContact O-N 3.39Å; F26-M29 HydrophobicContact CD1-CE 3.94Å; F26-M29 HydrophobicContact CE1-CE 4.34Å
27D51.3Low50.3Low122 Ų122154.4 Ų154.465%0.65277%0.765SS**G310 helixtrans-75.6-25.7-176.4-14335.4000112.2
28A50.5Low50.4Low83 Ų83153.5 Ų153.569%0.68677%0.766SS**G310 helixtrans-82.9-11.2-17900000114.4
29M49.8Very low50.6Low142 Ų142152.8 Ų152.870%0.777%0.766SS**G310 helixtrans-89.8-7.2179.8-102-174.2-7100113.6F26F26-M29 HydrophobicContact CD1-CE 3.94Å; F26-M29 HydrophobicContact CE1-CE 4.34Å
30T55.4Low50.4Low118 Ų118149.7 Ų149.772%0.72476%0.763SS**SBendtrans-12316.918060.30000113
31H48.8Very low50.1Low143 Ų143154.2 Ų154.266%0.66277%0.766SS**  trans-95.995170.4-163.646000107.8
32D48.7Very low49.2Very low148 Ų148145.2 Ų145.279%0.79175%0.75SS**  trans-89.6123.4168.5-142.23.8000106.3D34D32-D34 PolarHBondContact O-N 3.42Å
33D48.7Very low48.1Very low125 Ų125143 Ų14367%0.66875%0.747SS**  trans-72.6114.8171.3-76.2-52.1000107.2D35D33-D35 PolarHBondContact O-N 3.35Å
34D52.3Low47.5Very low166 Ų166148.6 Ų148.689%0.88876%0.762SS**  trans-64.295.7171.2-82-40.5000109.1D32D32-D34 PolarHBondContact O-N 3.42Å
35D52.4Low46.5Very low155 Ų155154.6 Ų154.683%0.82977%0.773SS**  trans-110.8116.9158.9-85.5-32.6000108.9D33D33-D35 PolarHBondContact O-N 3.35Å
36E51.3Low45.6Very low190 Ų190153.6 Ų153.689%0.88878%0.775SS**  trans-57.4124.4176.2-62.9166.5161.500111.3
37D47.4Very low44.8Very low159 Ų159149.7 Ų149.785%0.8577%0.772SS**  trans-156.2117.6143.2-113.4-20.7000111.4
38D48.7Very low43.9Very low161 Ų161153.1 Ų153.186%0.86178%0.781SS**  trans-78.1106176.1-80.9-47000110.6
39E43.3Very low43.4Very low189 Ų189158.7 Ų158.788%0.88379%0.785SS**  trans-143.6109.3157.5-65.5-165.6-155.100113.3
40E44.7Very low42.5Very low199 Ų199160.5 Ų160.593%0.9378%0.784SS**  trans-51.8122.8166.5174.2-172.4-165.100114
41E40.4Very low41.7Very low162 Ų162161 Ų16176%0.75778%0.782SS**  trans-158117.7143-152.9169.2-166.900113F43E41-F43 HydrophobicContact CG-CE2 4.37Å
42G34.2Very low41.1Very low59 Ų59163.2 Ų163.261%0.60879%0.793SS**  trans-84.2136.817700000113.1
43F27.5Very low40.7Very low179 Ų179164.9 Ų164.979%0.78580%0.796SS**  trans-118.196162.2-80.8-83.1000110.7E41E41-F43 HydrophobicContact CG-CE2 4.37Å
44Y36.3Very low40.3Very low221 Ų221164.1 Ų164.187%0.86779%0.791SS**  trans-79.2127.3160.3-73.6-93.5000109.4
45Y37.3Very low40Very low232 Ų232161.5 Ų161.591%0.9178%0.784SS**  trans-13897.3146.4-103.9-83.8000109.7
46D38.5Very low39.6Very low139 Ų139160.1 Ų160.174%0.74378%0.775SS**  trans-45.9140144.8-169.836.4000108.9
47G32.8Very low39.3Very low51 Ų51157 Ų15753%0.52677%0.765SS.*  129.8112.253.500000110.6
48F34Very low39.4Very low194 Ų194160.2 Ų160.285%0.85177%0.765SS**  trans83.9131.8144.4-62.9-81.4000124.8
49R38.2Very low39.4Very low201 Ų201154.2 Ų154.276%0.75874%0.738SS**  trans100.9136147-63.1-141.1-162.6-107.15.4116.4
50R32.7Very low39.6Very low179 Ų179153.5 Ų153.568%0.67573%0.727SS**  cis-169.3158.68.7-137.1-178.5157.7142.1-5.1110.2
51D37.9Very low39.8Very low130 Ų130153.7 Ų153.770%0.69572%0.72SS**  trans6585.1151.5-61.1-24.4000118.8
52Q36.1Very low40.4Very low188 Ų188150.9 Ų150.988%0.87971%0.705SS**  172.967.8116.2-168.2162.922.700108.7D54Q52-D54 PolarHBondContact O-N 3.01Å
53Q39.9Very low40.9Very low184 Ų184149.1 Ų149.186%0.8669%0.687SS**  trans-89.6106.9174.4-70.8-176.7-13.300108.5
54D40.7Very low41.6Very low108 Ų108149.5 Ų149.558%0.57869%0.689SS**  trans-57.2133.4170.9-105.2-48.7000109.5Q52 L56 D57Q52-D54 PolarHBondContact O-N 3.01Å; D54-L56 PolarHBondContact O-N 3.47Å; D54-D57 PolarHBondContact O-N 3.18Å
55P46.4Very low42.1Very low111 Ų111140.6 Ų140.672%0.72166%0.659SS**THydrogen-bonded Turntrans-55.4-19-179.3-27.434.7000114.8
56L42.7Very low42.2Very low126 Ų126135.8 Ų135.866%0.6665%0.648SS**THydrogen-bonded Turntrans-78.9-25.1-179.5-58.3176.8000113.1D54 R58 A59D54-L56 PolarHBondContact O-N 3.47Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.19Å; L56-A59 PolarHBondContact O-N 3.47Å
57D46Very low42.6Very low126 Ų126129.9 Ų129.967%0.67462%0.62SS**THydrogen-bonded Turntrans-74.8-23.7-174.1-119.913000112.7D54D54-D57 PolarHBondContact O-N 3.18Å
58R49.1Very low43.2Very low226 Ų226134.6 Ų134.685%0.85364%0.641SS**THydrogen-bonded Turntrans-79.9-23.3175.8-160.9173.9-178.41800.7112.8L56L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.19Å
59A48.5Very low43.7Very low35 Ų35133.1 Ų133.129%0.28964%0.642SS.*THydrogen-bonded Turntrans-83.5-12.9-177.500000113.5L56 P76 V78L56-A59 PolarHBondContact O-N 3.47Å; A59-P76 WeakPolarHBondContact O-CB 3.32Å; A59-V78 WeakPolarHBondContact O-CG2 3.48Å
60W47Very low44.4Very low174 Ų174125.3 Ų125.366%0.65963%0.625SS**SBendtrans-1219.3-177.4-65.971.1000113F62W60-F62 PolarHBondContact O-N 3.43Å
61R50.7Low45Very low202 Ų202124.6 Ų124.676%0.76263%0.631SS**  trans-79.8108.8-179.4-165.1179.3-161.2-153.74110.5G63R61-G63 PolarHBondContact O-N 2.7Å
62F51.1Low45.7Very low103 Ų103124.4 Ų124.445%0.45262%0.62SS.*  trans-70.8114.6164.5-76.3-84.7000109.3W60 F73 F79W60-F62 PolarHBondContact O-N 3.43Å; F62-F73 HydrophobicContact CD1-CE1 4.43Å; F62-F73 AromaticContact CD1-CE2 3.81Å; F62-F73 HydrophobicContact CD1-CE2 3.81Å; F62-F73 AromaticContact CD1-CZ 3.51Å; F62-F73 HydrophobicContact CD1-CZ 3.51Å; F62-F73 HydrophobicContact CE1-CE1 4.35Å; F62-F73 HydrophobicContact CE1-CE2 4.27Å; F62-F73 AromaticContact CE1-CZ 3.55Å; F62-F73 HydrophobicContact CE1-CZ 3.55Å; F62-F79 AromaticContact CZ-CD2 3.96Å; F62-F79 HydrophobicContact CZ-CD2 3.96Å; F62-F79 AromaticContact CZ-CE2 3.85Å; F62-F79 HydrophobicContact CZ-CE2 3.85Å; F62-F79 HydrophobicContact CZ-CZ 4.32Å
63G44.9Very low46.4Very low22 Ų22121.8 Ų121.823%0.22761%0.607CS.*EExtended strand (participates in β ladder)trans-104.7110.2177.500000110.9R61 Q74R61-G63 PolarHBondContact O-N 2.7Å; G63-Q74 PolarHBondContact O-N 2.82Å
64F43.8Very low47Very low188 Ų188119.2 Ų119.283%0.82559%0.594SS**EExtended strand (participates in β ladder)trans-85.6124158.253.9-87.7000107.1
65S45.5Very low47.7Very low34 Ų34118.1 Ų118.124%0.23859%0.586CS.*EExtended strand (participates in β ladder)trans-124.1125.4168.4430000109.1R72S65-R72 PolarHBondContact N-O 2.89Å; S65-R72 WeakPolarHBondContact O-CG 3.48Å; S65-R72 PolarHBondContact O-N 3.33Å; S65-R72 VanDerWaalsContact O-N 3.15Å; S65-R72 WeakPolarHBondContact OG-CD 3.45Å; S65-R72 VanDerWaalsContact OG-CG 3.27Å; S65-R72 WeakPolarHBondContact OG-CG 3.4Å; S65-R72 PolarHBondContact OG-NE 3.34Å
66L39.1Very low48.3Very low130 Ų130113.5 Ų113.568%0.68156%0.556SS**EExtended strand (participates in β ladder)trans-87.8117.5172.9-158.470.7000106.7M71L66-M71 HydrophobicContact CD1-CE 3.66Å; L66-M71 HydrophobicContact CD1-CG 4.07Å; L66-M71 HydrophobicContact CD1-SD 3.34Å; L66-M71 WeakPolarHBondContact CD1-SD 3.44Å
67G48.3Very low49.2Very low15 Ų15112 Ų11216%0.15556%0.562CS.*EExtended strand (participates in β ladder)trans-130.9172173.600000109.9D69 G70G67-D69 PolarHBondContact O-N 3.48Å; G67-G70 PolarHBondContact O-N 2.91Å
68P45.4Very low49.9Very low151 Ų151108.7 Ų108.798%0.98155%0.546SS*.THydrogen-bonded Turntrans-60.1-1.5-178.323.6-33.8000115
69D42.9Very low50.9Low162 Ų162101.2 Ų101.287%0.86652%0.519SS*.THydrogen-bonded Turntrans-113.113.9179.4-14425.3000112.4G67G67-D69 PolarHBondContact O-N 3.48Å
70G54Low51.6Low38 Ų38100.7 Ų100.739%0.39252%0.517SS..EExtended strand (participates in β ladder)trans92.2-178.9179.900000115.5G67 R72G67-G70 PolarHBondContact O-N 2.91Å; G70-R72 PolarHBondContact O-N 3.28Å; G70-R72 VanDerWaalsContact O-N 3.1Å
71M46Very low52.6Low164 Ų16498.7 Ų98.781%0.80852%0.515SS*.EExtended strand (participates in β ladder)trans-61.4110.2177.6-96.585.1174.200110.5L66L66-M71 HydrophobicContact CD1-CE 3.66Å; L66-M71 HydrophobicContact CD1-CG 4.07Å; L66-M71 HydrophobicContact CD1-SD 3.34Å; L66-M71 WeakPolarHBondContact CD1-SD 3.44Å
72R51.8Low53.7Low125 Ų12591.8 Ų91.847%0.47250%0.496SS..EExtended strand (participates in β ladder)trans-98.6117.8170.643.9170.6-173.4-112.7-3.1110S65 G70S65-R72 PolarHBondContact N-O 2.89Å; S65-R72 WeakPolarHBondContact O-CG 3.48Å; S65-R72 PolarHBondContact O-N 3.33Å; S65-R72 VanDerWaalsContact O-N 3.15Å; S65-R72 WeakPolarHBondContact OG-CD 3.45Å; S65-R72 VanDerWaalsContact OG-CG 3.27Å; S65-R72 WeakPolarHBondContact OG-CG 3.4Å; S65-R72 PolarHBondContact OG-NE 3.34Å; G70-R72 PolarHBondContact O-N 3.28Å; G70-R72 VanDerWaalsContact O-N 3.1Å
73F50.9Low54.6Low134 Ų13487.6 Ų87.659%0.58848%0.478SS*.EExtended strand (participates in β ladder)trans-85.3112.1173.5-173.9-100.4000108.9F62 E75F62-F73 HydrophobicContact CD1-CE1 4.43Å; F62-F73 AromaticContact CD1-CE2 3.81Å; F62-F73 HydrophobicContact CD1-CE2 3.81Å; F62-F73 AromaticContact CD1-CZ 3.51Å; F62-F73 HydrophobicContact CD1-CZ 3.51Å; F62-F73 HydrophobicContact CE1-CE1 4.35Å; F62-F73 HydrophobicContact CE1-CE2 4.27Å; F62-F73 AromaticContact CE1-CZ 3.55Å; F62-F73 HydrophobicContact CE1-CZ 3.55Å; F73-E75 HydrophobicContact CD1-CB 3.86Å; F73-E75 HydrophobicContact CE1-CB 3.58Å; F73-E75 HydrophobicContact CE1-CG 3.95Å; F73-E75 PolarHBondContact O-N 3.34Å
74Q52.7Low56.1Low129 Ų12994.2 Ų94.260%0.60350%0.496SS*.EExtended strand (participates in β ladder)trans-9096.2166.1-83.1-179.69.500108.7G63G63-Q74 PolarHBondContact O-N 2.82Å
75E54.2Low57.4Low86 Ų8690.7 Ų90.740%0.40248%0.482SS..  trans-67.4131.8167.8-167.5-178.8133.600109.1F73 A77 F79F73-E75 HydrophobicContact CD1-CB 3.86Å; F73-E75 HydrophobicContact CE1-CB 3.58Å; F73-E75 HydrophobicContact CE1-CG 3.95Å; F73-E75 PolarHBondContact O-N 3.34Å; E75-A77 PolarHBondContact O-N 3.42Å; E75-F79 HydrophobicContact CG-CB 3.77Å; E75-F79 HydrophobicContact CG-CD1 3.66Å; E75-F79 HydrophobicContact CG-CG 4.04Å; E75-F79 VanDerWaalsContact OE1-CD1 3.27Å; E75-F79 WeakPolarHBondContact OE1-CD1 3.41Å
76P60.1Low58.7Low14 Ų1492 Ų929%0.09149%0.485CS..  trans-61.8133.6173.8-14.125.3000110.1A59 V78 F79A59-P76 WeakPolarHBondContact O-CB 3.32Å; P76-V78 HydrophobicContact CB-CG2 4.05Å; P76-V78 PolarHBondContact O-N 3.41Å; P76-F79 VanDerWaalsContact O-CB 3.24Å; P76-F79 WeakPolarHBondContact O-CB 3.23Å; P76-F79 PolarHBondContact O-N 3.22Å
77A60.8Low60.3Low94 Ų9490.1 Ų90.178%0.77747%0.473SS*.THydrogen-bonded Turntrans-55.7-22.2-177.500000113.8E75E75-A77 PolarHBondContact O-N 3.42Å
78V61.5Low61.6Low57 Ų5794.9 Ų94.935%0.34549%0.491SS..THydrogen-bonded Turntrans-80.5-19.1176.6-60.50000113.7A59 P76 G80 H81 V82A59-V78 WeakPolarHBondContact O-CG2 3.48Å; P76-V78 HydrophobicContact CB-CG2 4.05Å; P76-V78 PolarHBondContact O-N 3.41Å; V78-G80 VanDerWaalsContact C-N 3.33Å; V78-G80 PolarHBondContact O-N 3.27Å; V78-H81 WeakPolarHBondContact O-CB 3.27Å; V78-H81 PolarHBondContact O-N 3.34Å; V78-V82 PolarHBondContact O-N 3.03Å; V78-V82 VanDerWaalsContact O-N 3.09Å
79F68.6Low63.1Low68 Ų6892.1 Ų92.130%0.29847%0.467SS..Hα-helixtrans-65.1-37.7-178.4-168.3-108.6000111.6F62 E75 P76 H81 V82 L83F62-F79 AromaticContact CZ-CD2 3.96Å; F62-F79 HydrophobicContact CZ-CD2 3.96Å; F62-F79 AromaticContact CZ-CE2 3.85Å; F62-F79 HydrophobicContact CZ-CE2 3.85Å; F62-F79 HydrophobicContact CZ-CZ 4.32Å; E75-F79 HydrophobicContact CG-CB 3.77Å; E75-F79 HydrophobicContact CG-CD1 3.66Å; E75-F79 HydrophobicContact CG-CG 4.04Å; E75-F79 VanDerWaalsContact OE1-CD1 3.27Å; E75-F79 WeakPolarHBondContact OE1-CD1 3.41Å; P76-F79 VanDerWaalsContact O-CB 3.24Å; P76-F79 WeakPolarHBondContact O-CB 3.23Å; P76-F79 PolarHBondContact O-N 3.22Å; F79-H81 PolarHBondContact O-N 3.31Å; F79-V82 PolarHBondContact O-N 2.92Å; F79-L83 HydrophobicContact CD1-CD1 3.67Å; F79-L83 HydrophobicContact CD1-CG 4.13Å; F79-L83 HydrophobicContact CE1-CD1 3.35Å; F79-L83 HydrophobicContact CE1-CD2 4.44Å; F79-L83 HydrophobicContact CE1-CG 3.96Å; F79-L83 HydrophobicContact CZ-CD1 4Å; F79-L83 HydrophobicContact CZ-CD2 4.28Å; F79-L83 HydrophobicContact CZ-CG 4.21Å; F79-L83 WeakPolarHBondContact O-CG 3.39Å; F79-L83 PolarHBondContact O-N 3.15Å
80G64.4Low64.4Low24 Ų2489.4 Ų89.425%0.24745%0.448CS..Hα-helixtrans-63.2-27172.500000114.2V78 R84V78-G80 VanDerWaalsContact C-N 3.33Å; V78-G80 PolarHBondContact O-N 3.27Å; G80-R84 WeakPolarHBondContact O-CB 3.32Å; G80-R84 PolarHBondContact O-N 3.06Å
81H67.5Low65Low132 Ų13291.3 Ų91.361%0.61146%0.455SS*.Hα-helixtrans-77.3-41.8173.3-71.3-74.1000111.6V78 F79 R84 E85V78-H81 WeakPolarHBondContact O-CB 3.27Å; V78-H81 PolarHBondContact O-N 3.34Å; F79-H81 PolarHBondContact O-N 3.31Å; H81-R84 PolarHBondContact O-N 3.3Å; H81-E85 WeakPolarHBondContact O-CB 3.49Å; H81-E85 PolarHBondContact O-N 2.87Å
82V73.3Confident65.9Low58 Ų5888.6 Ų88.635%0.35244%0.44SS..Hα-helixtrans-63-44.3176.6175.80000111.3V78 F79 R84 E85 M86V78-V82 PolarHBondContact O-N 3.03Å; V78-V82 VanDerWaalsContact O-N 3.09Å; F79-V82 PolarHBondContact O-N 2.92Å; V82-R84 VanDerWaalsContact C-N 3.3Å; V82-R84 PolarHBondContact O-N 3.46Å; V82-E85 PolarHBondContact O-N 3.48Å; V82-M86 WeakPolarHBondContact O-CB 3.49Å; V82-M86 PolarHBondContact O-N 3.44Å
83L71.6Confident66.1Low14 Ų1487.9 Ų87.97%0.07345%0.445CS..Hα-helixtrans-66.3-33.8178.1-72-176.9000112.6F4 F79 M86 E87F4-L83 HydrophobicContact CD1-CD1 4.12Å; F4-L83 HydrophobicContact CE1-CD1 3.31Å; F4-L83 HydrophobicContact CE2-CB 4.12Å; F4-L83 HydrophobicContact CE2-CD1 3.98Å; F4-L83 HydrophobicContact CZ-CB 3.85Å; F4-L83 HydrophobicContact CZ-CD1 3.24Å; F4-L83 HydrophobicContact CZ-CG 4.2Å; F79-L83 HydrophobicContact CD1-CD1 3.67Å; F79-L83 HydrophobicContact CD1-CG 4.13Å; F79-L83 HydrophobicContact CE1-CD1 3.35Å; F79-L83 HydrophobicContact CE1-CD2 4.44Å; F79-L83 HydrophobicContact CE1-CG 3.96Å; F79-L83 HydrophobicContact CZ-CD1 4Å; F79-L83 HydrophobicContact CZ-CD2 4.28Å; F79-L83 HydrophobicContact CZ-CG 4.21Å; F79-L83 WeakPolarHBondContact O-CG 3.39Å; F79-L83 PolarHBondContact O-N 3.15Å; L83-M86 HydrophobicContact CD2-CE 4.02Å; L83-M86 PolarHBondContact O-N 3.09Å; L83-E87 WeakPolarHBondContact O-CB 3.34Å; L83-E87 PolarHBondContact O-N 3.26Å
84R74.8Confident66.3Low161 Ų16184 Ų8461%0.60844%0.443SS*.Hα-helixtrans-68.9-41.7174.6-171.7-177.4-53.2-78.3-5112G80 H81 V82 M86 E87 E88G80-R84 WeakPolarHBondContact O-CB 3.32Å; G80-R84 PolarHBondContact O-N 3.06Å; H81-R84 PolarHBondContact O-N 3.3Å; V82-R84 VanDerWaalsContact C-N 3.3Å; V82-R84 PolarHBondContact O-N 3.46Å; R84-M86 VanDerWaalsContact C-N 3.32Å; R84-E87 PolarHBondContact O-N 3.13Å; R84-E88 WeakPolarHBondContact O-CB 3.1Å; R84-E88 PolarHBondContact O-N 2.87Å
85E72Confident66.2Low115 Ų11588.2 Ų88.254%0.53745%0.454SS..Hα-helixtrans-63.9-40.2173.7-174.7178.2-178.100111H81 V82 E88 I89H81-E85 WeakPolarHBondContact O-CB 3.49Å; H81-E85 PolarHBondContact O-N 2.87Å; V82-E85 PolarHBondContact O-N 3.48Å; E85-E88 WeakPolarHBondContact O-CB 3.09Å; E85-E88 PolarHBondContact O-N 3.21Å; E85-I89 HydrophobicContact CG-CD1 4.25Å; E85-I89 VanDerWaalsContact O-CG1 3.27Å; E85-I89 WeakPolarHBondContact O-CG1 3.33Å; E85-I89 PolarHBondContact O-N 3.1Å
86M72.6Confident65.8Low60 Ų6094.5 Ų94.530%0.29647%0.474SS..Hα-helixtrans-65.9-41.7176.7-152.7-177.963.500111.6V3 V82 L83 R84 E88 I89 F90V3-M86 HydrophobicContact CB-CE 4.29Å; V3-M86 HydrophobicContact CG1-CE 3.93Å; V3-M86 HydrophobicContact CG2-CE 4.27Å; V82-M86 WeakPolarHBondContact O-CB 3.49Å; V82-M86 PolarHBondContact O-N 3.44Å; L83-M86 HydrophobicContact CD2-CE 4.02Å; L83-M86 PolarHBondContact O-N 3.09Å; R84-M86 VanDerWaalsContact C-N 3.32Å; M86-E88 VanDerWaalsContact C-N 3.31Å; M86-E88 PolarHBondContact O-N 2.96Å; M86-I89 PolarHBondContact O-N 3.48Å; M86-F90 HydrophobicContact CE-CE2 4.01Å; M86-F90 HydrophobicContact CG-CD2 3.98Å; M86-F90 HydrophobicContact CG-CE2 3.51Å; M86-F90 HydrophobicContact CG-CZ 4.45Å; M86-F90 WeakPolarHBondContact O-CD2 2.99Å; M86-F90 PolarHBondContact O-N 3.05Å; M86-F90 HydrophobicContact SD-CE2 3.98Å
87E73.4Confident65.2Low91 Ų91100.4 Ų100.443%0.42550%0.5SS..Hα-helixtrans-61.5-38.1171.5-176.4178.6-16500112L83 R84 F90 S91L83-E87 WeakPolarHBondContact O-CB 3.34Å; L83-E87 PolarHBondContact O-N 3.26Å; R84-E87 PolarHBondContact O-N 3.13Å; E87-F90 PolarHBondContact O-N 3.48Å; E87-S91 VanDerWaalsContact O-CB 3.23Å; E87-S91 WeakPolarHBondContact O-CB 3.3Å; E87-S91 PolarHBondContact O-N 3.18Å; E87-S91 PolarHBondContact O-OG 3.15Å
88E75.5Confident64.4Low115 Ų11598.9 Ų98.954%0.53749%0.494SS..Hα-helixtrans-64.6-44.5175.2-169.3-179.1164.300111.6R84 E85 M86 F90 S91 Q92R84-E88 WeakPolarHBondContact O-CB 3.1Å; R84-E88 PolarHBondContact O-N 2.87Å; E85-E88 WeakPolarHBondContact O-CB 3.09Å; E85-E88 PolarHBondContact O-N 3.21Å; M86-E88 VanDerWaalsContact C-N 3.31Å; M86-E88 PolarHBondContact O-N 2.96Å; E88-F90 PolarHBondContact O-N 2.9Å; E88-S91 PolarHBondContact O-N 3.27Å; E88-Q92 VanDerWaalsContact O-CG 3.32Å; E88-Q92 WeakPolarHBondContact O-CG 3.35Å; E88-Q92 PolarHBondContact O-N 2.93Å
89I75.5Confident63Low93 Ų93103.9 Ų103.948%0.47751%0.513SS..Hα-helixtrans-60.9-44.5175.2-66.8162.4000110.8E85 M86 Q92 L93E85-I89 HydrophobicContact CG-CD1 4.25Å; E85-I89 VanDerWaalsContact O-CG1 3.27Å; E85-I89 WeakPolarHBondContact O-CG1 3.33Å; E85-I89 PolarHBondContact O-N 3.1Å; M86-I89 PolarHBondContact O-N 3.48Å; I89-Q92 WeakPolarHBondContact O-CB 3.46Å; I89-Q92 PolarHBondContact O-N 3.5Å; I89-L93 PolarHBondContact O-N 3.14Å
90F70.7Confident62.1Low106 Ų106105.6 Ų105.647%0.46553%0.531SS..Hα-helixtrans-71.6-30.5178.3-72.2-57.6000113.1M86 E87 E88 Q92 L93 G94M86-F90 HydrophobicContact CE-CE2 4.01Å; M86-F90 HydrophobicContact CG-CD2 3.98Å; M86-F90 HydrophobicContact CG-CE2 3.51Å; M86-F90 HydrophobicContact CG-CZ 4.45Å; M86-F90 WeakPolarHBondContact O-CD2 2.99Å; M86-F90 PolarHBondContact O-N 3.05Å; M86-F90 HydrophobicContact SD-CE2 3.98Å; E87-F90 PolarHBondContact O-N 3.48Å; E88-F90 PolarHBondContact O-N 2.9Å; F90-Q92 VanDerWaalsContact C-N 3.35Å; F90-L93 HydrophobicContact CD1-CD2 4.16Å; F90-L93 WeakPolarHBondContact O-CB 3.4Å; F90-L93 PolarHBondContact O-N 3.12Å; F90-G94 PolarHBondContact O-N 2.66Å
91S67.6Low61.2Low77 Ų77112.6 Ų112.654%0.53856%0.557SS.*Hα-helixtrans-68.8-36.3172.9-62.20000111.5E87 E88 R95E87-S91 VanDerWaalsContact O-CB 3.23Å; E87-S91 WeakPolarHBondContact O-CB 3.3Å; E87-S91 PolarHBondContact O-N 3.18Å; E87-S91 PolarHBondContact O-OG 3.15Å; E88-S91 PolarHBondContact O-N 3.27Å; S91-R95 PolarHBondContact O-N 3.32Å
92Q63.7Low60.2Low108 Ų108112.4 Ų112.451%0.50557%0.57SS.*Hα-helixtrans-66-40.5170.1-70.4175.444.800110.9E88 I89 F90 G94 R95E88-Q92 VanDerWaalsContact O-CG 3.32Å; E88-Q92 WeakPolarHBondContact O-CG 3.35Å; E88-Q92 PolarHBondContact O-N 2.93Å; I89-Q92 WeakPolarHBondContact O-CB 3.46Å; I89-Q92 PolarHBondContact O-N 3.5Å; F90-Q92 VanDerWaalsContact C-N 3.35Å; Q92-G94 PolarHBondContact O-N 3.42Å; Q92-R95 VanDerWaalsContact O-CB 3.23Å; Q92-R95 WeakPolarHBondContact O-CB 3.23Å; Q92-R95 PolarHBondContact O-N 3.17Å
93L57.4Low58.6Low109 Ų109112.9 Ų112.957%0.57159%0.587SS**Hα-helixtrans-63.4-39177-160.871.7000112.4I89 F90 R95 W96I89-L93 PolarHBondContact O-N 3.14Å; F90-L93 HydrophobicContact CD1-CD2 4.16Å; F90-L93 WeakPolarHBondContact O-CB 3.4Å; F90-L93 PolarHBondContact O-N 3.12Å; L93-R95 PolarHBondContact O-N 2.91Å; L93-W96 WeakPolarHBondContact O-CB 3.47Å; L93-W96 PolarHBondContact O-N 3.33Å; L93-W96 VanDerWaalsContact O-N 3.12Å
94G54.8Low57.5Low53 Ų53121 Ų12155%0.54663%0.625SS.*Hα-helixtrans-65.2-16.7172.800000114.2F90 Q92F90-G94 PolarHBondContact O-N 2.66Å; Q92-G94 PolarHBondContact O-N 3.42Å
95R51Low55.7Low218 Ų218123 Ų12382%0.82364%0.638SS**THydrogen-bonded Turntrans-82-15.8174.9-141.6177.8-167.7-94.32.1113.1S91 Q92 L93 E97S91-R95 PolarHBondContact O-N 3.32Å; Q92-R95 VanDerWaalsContact O-CB 3.23Å; Q92-R95 WeakPolarHBondContact O-CB 3.23Å; Q92-R95 PolarHBondContact O-N 3.17Å; L93-R95 PolarHBondContact O-N 2.91Å; R95-E97 VanDerWaalsContact C-N 3.29Å
96W45.4Very low54.5Low218 Ų218121.2 Ų121.283%0.82665%0.65SS**G310 helixtrans-78-14.2171.2-68.582.2000112.8L93 G98L93-W96 WeakPolarHBondContact O-CB 3.47Å; L93-W96 PolarHBondContact O-N 3.33Å; L93-W96 VanDerWaalsContact O-N 3.12Å; W96-G98 PolarHBondContact O-N 3.27Å
97E46.9Very low53.2Low138 Ų138124 Ų12465%0.64567%0.67SS**G310 helixtrans-77.4-2.1174.3-159.770.3-141.400112.5R95 R109R95-E97 VanDerWaalsContact C-N 3.29Å; E97-R109 IonicContact OE1-CZ 2.67Å; E97-R109 IonicContact OE1-NE 3.02Å; E97-R109 IonicContact OE1-NH2 3.94Å; E97-R109 PolarHBondContact OE1-NH2 3.45Å
98G44.1Very low51.6Low62 Ų62125.1 Ų125.164%0.63969%0.686SS**G310 helixtrans-12431.2-167.100000117W96W96-G98 PolarHBondContact O-N 3.27Å
99H33.1Very low49.9Very low162 Ų162128.3 Ų128.375%0.7569%0.693SS**  trans-120.8111.3165.7-153-65.6000109.8
100P49.1Very low48.4Very low104 Ų104131.7 Ų131.768%0.67571%0.71SS**  trans-75.8148.816333.8-28.7000107.8
101E45.1Very low47.3Very low170 Ų170132.9 Ų132.979%0.79472%0.721SS**SBendtrans91.6104.7167.8-46.8-164.816700117.4
102S47.5Very low46.4Very low128 Ų128134.3 Ų134.390%0.89573%0.728SS**  trans106.1114.7146.475.30000117.5
103G38.9Very low45.5Very low68 Ų68135 Ų13570%0.70174%0.742SS**  trans116.468.7156.500000117.2F105G103-F105 PolarHBondContact O-N 3.28Å; G103-F105 VanDerWaalsContact O-N 3.16Å
104H47.5Very low45.1Very low186 Ų186134.6 Ų134.686%0.86175%0.748SS**  trans11.887.2144.2-162.8-76.3000118.1
105F37.5Very low44.4Very low201 Ų201137.8 Ų137.888%0.88276%0.76SS**  trans-131.2119.7151.1-93.6-87.9000108.9G103 V107G103-F105 PolarHBondContact O-N 3.28Å; G103-F105 VanDerWaalsContact O-N 3.16Å; F105-V107 PolarHBondContact O-N 2.67Å; F105-V107 VanDerWaalsContact O-N 3.15Å
106G47.5Very low44Very low78 Ų78133.3 Ų133.380%0.80476%0.758SS**  trans-71.9103.3-174.200000112.1
107V44Very low44Very low118 Ų118132.4 Ų132.472%0.71576%0.764SS**  trans-131.4124.3159.4-169.30000106.3F105 R109F105-V107 PolarHBondContact O-N 2.67Å; F105-V107 VanDerWaalsContact O-N 3.15Å; V107-R109 PolarHBondContact O-N 2.98Å
108P40.3Very low43.7Very low116 Ų116129.1 Ų129.175%0.75377%0.766SS**  trans-69.9106.7178.127.5-29.5000108.5I110P108-I110 PolarHBondContact O-N 3.22Å
109R39.9Very low43.4Very low181 Ų181138 Ų13868%0.68378%0.781SS**  trans-64.5112.1167.1-72.1175.2104.9-163.48.7107.7E97 V107 L111E97-R109 IonicContact OE1-CZ 2.67Å; E97-R109 IonicContact OE1-NE 3.02Å; E97-R109 IonicContact OE1-NH2 3.94Å; E97-R109 PolarHBondContact OE1-NH2 3.45Å; V107-R109 PolarHBondContact O-N 2.98Å; R109-L111 VanDerWaalsContact C-N 3.32Å; R109-L111 PolarHBondContact O-N 2.62Å
110I44.6Very low43.6Very low164 Ų164135.6 Ų135.684%0.84178%0.782SS**  trans-7689.9170.7-57.5170.3000106.7P108P108-I110 PolarHBondContact O-N 3.22Å
111L47.8Very low43.6Very low132 Ų132140 Ų14069%0.69179%0.794SS**PPolyproline II helixtrans-71.2133.6160.9-125.692.8000107.6R109R109-L111 VanDerWaalsContact C-N 3.32Å; R109-L111 PolarHBondContact O-N 2.62Å
112P47.3Very low43.4Very low106 Ų106137.3 Ų137.369%0.68879%0.793SS**PPolyproline II helixtrans-64131.6165.626.4-31.1000108.6S114P112-S114 PolarHBondContact O-N 2.92Å
113P45.1Very low43.8Very low122 Ų122137.1 Ų137.179%0.79279%0.792SS**PPolyproline II helixtrans-67.813418026.9-32.6000110.4
114S49.1Very low44.3Very low101 Ų101136.5 Ų136.571%0.70679%0.785SS**PPolyproline II helixtrans-56.4142.3166-38.30000109.9P112 P116P112-S114 PolarHBondContact O-N 2.92Å; S114-P116 WeakPolarHBondContact O-CD 3.33Å
115P41.3Very low45.2Very low121 Ų121132.5 Ų132.579%0.78677%0.771SS**PPolyproline II helixtrans-67.2123.9-178.626.3-32.3000110.4Q117P115-Q117 PolarHBondContact O-N 2.84Å
116P42.1Very low46.9Very low123 Ų123126.6 Ų126.680%0.79975%0.752SS**PPolyproline II helixtrans-74.3116.617027.8-28.9000109S114 G118S114-P116 WeakPolarHBondContact O-CD 3.33Å; P116-G118 PolarHBondContact O-N 3.43Å
117Q45.6Very low47.8Very low200 Ų200129.4 Ų129.494%0.93575%0.748SS**PPolyproline II helixtrans-59.1120.5158.2-84.1174.5-28.600108.8P115P115-Q117 PolarHBondContact O-N 2.84Å
118G41.3Very low49.1Very low68 Ų68132.6 Ų132.670%0.70175%0.747SS**  trans105.7113.4150.800000116.4P116P116-G118 PolarHBondContact O-N 3.43Å
119R37.6Very low50.2Low250 Ų250130.1 Ų130.194%0.94373%0.728SS**  trans102.9125.6142.1-70.2-176.7164.6-160.3-4.4119
120S37.2Very low51.4Low111 Ų111129 Ų12978%0.77673%0.728SS**  trans88.8102.7152.4-1220000116.6S122S120-S122 PolarHBondContact O-N 3.05Å
121E49.3Very low52.8Low197 Ų197128.7 Ų128.792%0.92173%0.725SS**  trans-25.1103153.3-62.8166.5154.900111.6
122S40.8Very low53.8Low112 Ų112126.6 Ų126.678%0.78371%0.714SS**  trans-108.799.9162.2-171.40000106S120 G124S120-S122 PolarHBondContact O-N 3.05Å; S122-G124 PolarHBondContact O-N 3.15Å
123S55.7Low54.6Low125 Ų125131.4 Ų131.487%0.87472%0.724SS**  trans-64.881.6167.6560000108.6
124G49.7Very low55.1Low54 Ų54130.2 Ų130.256%0.55772%0.719SS**  trans-110.297.9175.600000108.7S122S122-G124 PolarHBondContact O-N 3.15Å
125N64.8Low55.6Low103 Ų103131 Ų13155%0.55172%0.722SS**  trans-55.5128.6166.9-66.6-12.3000107.4D129 F130N125-D129 HydrophobicContact CB-CB 3.97Å; N125-F130 HydrophobicContact CB-CD2 4.35Å; N125-F130 HydrophobicContact CB-CE2 3.93Å
126P74.9Confident56.1Low76 Ų76131.9 Ų131.949%0.49472%0.719SS.*  trans-58.6151.9179.424.2-32.6000109.3R128 D129P126-R128 HydrophobicContact CB-CB 4.48Å; P126-R128 CarbonylContact O-C 3.59Å; P126-R128 PolarHBondContact O-N 3.43Å; P126-D129 HydrophobicContact CG-CB 4.4Å; P126-D129 WeakPolarHBondContact O-CB 2.94Å; P126-D129 PolarHBondContact O-N 3.15Å
127L66Low56.3Low137 Ų137129.8 Ų129.872%0.71772%0.72SS**Hα-helixtrans-48.9-30.5179.3-170.969.3000112.7D129 F130 M131L127-D129 VanDerWaalsContact C-N 3.32Å; L127-D129 PolarHBondContact O-N 3.16Å; L127-F130 PolarHBondContact O-N 3.37Å; L127-M131 PolarHBondContact O-N 3.03Å
128R69.9Low56.1Low186 Ų186126.4 Ų126.470%0.70271%0.709SS**Hα-helixtrans-52.6-44.3170.9-174.4176.7-170.5-120.93.6113.2P126 F130 M131 L132P126-R128 HydrophobicContact CB-CB 4.48Å; P126-R128 CarbonylContact O-C 3.59Å; P126-R128 PolarHBondContact O-N 3.43Å; R128-F130 VanDerWaalsContact C-N 3.34Å; R128-M131 PolarHBondContact O-N 3.18Å; R128-L132 HydrophobicContact CG-CD1 4.08Å; R128-L132 VanDerWaalsContact O-CG 3.27Å; R128-L132 WeakPolarHBondContact O-CG 3.43Å; R128-L132 PolarHBondContact O-N 3Å; R128-L132 VanDerWaalsContact O-N 3.08Å
129D63.9Low56.4Low64 Ų64128.8 Ų128.834%0.34271%0.71SS.*Hα-helixtrans-76.5-20.5-178.4-76.50.9000112.8N125 P126 L127 L132N125-D129 HydrophobicContact CB-CB 3.97Å; P126-D129 HydrophobicContact CG-CB 4.4Å; P126-D129 WeakPolarHBondContact O-CB 2.94Å; P126-D129 PolarHBondContact O-N 3.15Å; L127-D129 VanDerWaalsContact C-N 3.32Å; L127-D129 PolarHBondContact O-N 3.16Å; D129-L132 VanDerWaalsContact O-O 3.07Å
130F65.9Low56.4Low158 Ų158127.4 Ų127.469%0.69370%0.704SS**Hα-helixtrans-77.9-25.5169.5-78.8-83.3000112.7N125 L127 R128N125-F130 HydrophobicContact CB-CD2 4.35Å; N125-F130 HydrophobicContact CB-CE2 3.93Å; L127-F130 PolarHBondContact O-N 3.37Å; R128-F130 VanDerWaalsContact C-N 3.34Å
131M72.8Confident56.1Low156 Ų156133.3 Ų133.377%0.76871%0.71SS**Hα-helixtrans-84.6-20.3174.4-67.5-17864.200112.7L127 R128L127-M131 PolarHBondContact O-N 3.03Å; R128-M131 PolarHBondContact O-N 3.18Å
132L69.9Low55.5Low89 Ų89132.1 Ų132.147%0.46671%0.708SS.*SBendtrans-85.8115.1172.6-67169.7000108.9R128 D129 S134R128-L132 HydrophobicContact CG-CD1 4.08Å; R128-L132 VanDerWaalsContact O-CG 3.27Å; R128-L132 WeakPolarHBondContact O-CG 3.43Å; R128-L132 PolarHBondContact O-N 3Å; R128-L132 VanDerWaalsContact O-N 3.08Å; D129-L132 VanDerWaalsContact O-O 3.07Å; L132-S134 PolarHBondContact O-N 3.02Å
133K64.8Low55.2Low207 Ų207135.4 Ų135.490%0.971%0.711SS**  trans-67102.5165.6-75.3-177.2177.5-177.60107.7P135K133-P135 VanDerWaalsContact O-CD 3.3Å; K133-P135 WeakPolarHBondContact O-CD 3.29Å
134S55.5Low55Low97 Ų97133.5 Ų133.568%0.67870%0.696SS**  trans-65.3120.8172.6-56.70000109.7L132 D136L132-S134 PolarHBondContact O-N 3.02Å; S134-D136 VanDerWaalsContact C-N 3.28Å; S134-D136 PolarHBondContact O-N 2.67Å
135P57.9Low54.7Low118 Ų118138.1 Ų138.177%0.76671%0.708SS**  trans-90.123.6179.536.6-33.3000113.2K133K133-P135 VanDerWaalsContact O-CD 3.3Å; K133-P135 WeakPolarHBondContact O-CD 3.29Å
136D51.7Low53.3Low138 Ų138144.6 Ų144.674%0.73873%0.725SS**  trans-144.284.6178.8-84.8-44.3000111.9S134S134-D136 VanDerWaalsContact C-N 3.28Å; S134-D136 PolarHBondContact O-N 2.67Å
137G48Very low52Low80 Ų80152.9 Ų152.983%0.82575%0.746SS**  trans-93.5101.915400000107.6
138D40.3Very low50.5Low128 Ų128151.9 Ų151.968%0.68475%0.748SS**  trans-58.1137-161.4-136.5-16.2000115.3R140D138-R140 PolarHBondContact O-N 2.79Å
139V47.3Very low49.1Very low119 Ų119148.3 Ų148.372%0.72175%0.751SS**  trans-57.7111.1171.8-168.10000109.5
140R38.2Very low48Very low220 Ų220155.2 Ų155.283%0.8378%0.779SS**  trans-132.4101.4165.1-75.5-166.4165.1170.6-2113.8D138D138-R140 PolarHBondContact O-N 2.79Å
141R30.6Very low46.7Very low236 Ų236156.8 Ų156.889%0.89179%0.788SS**  trans90106.7153.3-61.5-165.4-130.3-142.22.8118.4
142L37.7Very low45.7Very low171 Ų171154.2 Ų154.290%0.89579%0.786SS**  trans-63129.2152.1-86.275.1000110.9
143H34.3Very low44.3Very low181 Ų181154.8 Ų154.884%0.83880%0.795SS**  -154.7144.5129.4-160.8-97.2000108.7
144P50.4Low43.7Very low86 Ų86150.8 Ų150.856%0.55879%0.79SS**  trans-84.5168.3-163.511.37.5000112.4
145D44.3Very low43.1Very low151 Ų151155.1 Ų155.181%0.80780%0.797SS**  trans77.379.9171.1-55.1-27.9000116.9
146R34Very low42.9Very low239 Ų239157.5 Ų157.590%0.90280%0.803SS**  -174.8122.5128-106168.7179.5-159.1-0.4109.6P148R146-P148 VanDerWaalsContact O-CD 3.3Å; R146-P148 WeakPolarHBondContact O-CD 3.39Å
147R47.8Very low43Very low249 Ų249154.8 Ų154.894%0.9481%0.807SS**  trans-58.7131.8161.8-61-178.6178.6-164.5-1.3108.5
148P36Very low43.1Very low116 Ų116162 Ų16275%0.75381%0.81SS**  trans-108.5120.5151.818.51.4000108.1R146 F150R146-P148 VanDerWaalsContact O-CD 3.3Å; R146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-F150 PolarHBondContact O-N 2.76Å
149S40.6Very low43.6Very low112 Ų112159.6 Ų159.678%0.78380%0.803SS**  trans-41.3130.7159.4-52.70000109.6E151S149-E151 PolarHBondContact O-N 2.76Å
150F38.9Very low43.8Very low209 Ų209158.2 Ų158.292%0.91780%0.796SS**  trans-57.6106.9168.7-81.8-93.5000108.1P148 S152P148-F150 PolarHBondContact O-N 2.76Å; F150-S152 PolarHBondContact O-N 2.83Å
151E38.9Very low44.7Very low190 Ų190154.9 Ų154.989%0.88879%0.788SS**  trans-65.6115.2163-78.9-179.2157.700107.6S149S149-E151 PolarHBondContact O-N 2.76Å
152S51.5Low45.8Very low103 Ų103147.5 Ų147.572%0.7277%0.773SS**  trans-56.7138.3170.4-50.40000110.3F150F150-S152 PolarHBondContact O-N 2.83Å
153P42.5Very low46.6Very low100 Ų100148.1 Ų148.165%0.64977%0.768SS**  trans-66.6145171.327.5-31.3000110.1F155P153-F155 PolarHBondContact O-N 2.85Å
154P50.8Low47.3Very low123 Ų123145.4 Ų145.480%0.79975%0.754SS**SBendtrans-82.355.9-175.136.6-36.5000111.3
155F44.3Very low47.5Very low188 Ų188147 Ų14783%0.82576%0.758SS**  trans-122.664.5171.1-77.3-80.2000109.6P153P153-F155 PolarHBondContact O-N 2.85Å
156N53.6Low47.9Very low169 Ų169146.4 Ų146.490%0.90476%0.755SS**  trans-76.9119.6161.5-80.9-6.8000108.5
157G52.6Low48.7Very low80 Ų80143 Ų14383%0.82575%0.747SS**SBendtrans146-6.815100000118.9
158W49.4Very low48.8Very low233 Ų233140.6 Ų140.688%0.88374%0.738SS**  trans-132.891.7174.9-158.7-34.4000111.8
159S51.7Low49.5Very low77 Ų77138.2 Ų138.254%0.53873%0.734SS.*  trans-110.9109.9158.6-177.90000108.2F161S159-F161 PolarHBondContact O-N 2.74Å; S159-F161 VanDerWaalsContact O-N 3.17Å
160P52.6Low49.9Very low89 Ų89141.7 Ų141.758%0.57874%0.739SS**THydrogen-bonded Turntrans-74.22.8179.426-24.3000113.2
161F55.1Low50.4Low151 Ų151136 Ų13666%0.66273%0.73SS**THydrogen-bonded Turntrans-130.329.2-174.1-57-70.1000114.6S159 K163 F164S159-F161 PolarHBondContact O-N 2.74Å; S159-F161 VanDerWaalsContact O-N 3.17Å; F161-K163 PolarHBondContact O-N 3.06Å; F161-F164 PolarHBondContact O-N 3.2Å
162S55.7Low50.7Low81 Ų81132.8 Ų132.857%0.56673%0.726SS**G310 helixtrans-58.8-17.4175.5-72.20000114.5F164S162-F164 VanDerWaalsContact C-N 3.27Å; S162-F164 PolarHBondContact O-N 2.79Å
163K53.7Low50.6Low183 Ų183136.6 Ų136.680%0.79673%0.732SS**G310 helixtrans-77.1-7.9176.6-60.4-173.7-179.2-174.60114.2F161F161-K163 PolarHBondContact O-N 3.06Å
164F49.3Very low50.9Low124 Ų124143.2 Ų143.254%0.54474%0.744SS.*G310 helixtrans-92.2-17-177.4-152.4-104.8000113.1F161 S162 D166 W168F161-F164 PolarHBondContact O-N 3.2Å; S162-F164 VanDerWaalsContact C-N 3.27Å; S162-F164 PolarHBondContact O-N 2.79Å; F164-D166 VanDerWaalsContact C-N 3.31Å; F164-D166 PolarHBondContact O-N 2.76Å; F164-W168 AromaticContact CD1-CD1 3.78Å; F164-W168 AromaticContact CD1-NE1 3.53Å; F164-W168 AromaticContact CE1-CD1 3.74Å; F164-W168 AromaticContact CE1-NE1 2.99Å; F164-W168 AromaticContact CZ-NE1 3.6Å
165N54.7Low50.7Low120 Ų120143.4 Ų143.464%0.64274%0.743SS**G310 helixtrans-71.9-22.9179.6-77.3-25.4000113.4F167 W168N165-F167 VanDerWaalsContact C-N 3.26Å; N165-F167 PolarHBondContact O-N 2.75Å; N165-W168 PolarHBondContact O-N 2.76Å
166D51.6Low51.3Low139 Ų139141.1 Ų141.174%0.74375%0.747SS**G310 helixtrans-71.8-20.7180-70-18.4000112.9F164F164-D166 VanDerWaalsContact C-N 3.31Å; F164-D166 PolarHBondContact O-N 2.76Å
167F50.7Low50.8Low167 Ų167135.5 Ų135.573%0.73273%0.729SS**G310 helixtrans-85.6-16-180-74-80.8000114.1N165N165-F167 VanDerWaalsContact C-N 3.26Å; N165-F167 PolarHBondContact O-N 2.75Å
168W51.4Low51Low198 Ų198138.3 Ų138.375%0.7573%0.733SS**THydrogen-bonded Turntrans-1140.4-175-61.899000113.7F164 N165F164-W168 AromaticContact CD1-CD1 3.78Å; F164-W168 AromaticContact CD1-NE1 3.53Å; F164-W168 AromaticContact CE1-CD1 3.74Å; F164-W168 AromaticContact CE1-NE1 2.99Å; F164-W168 AromaticContact CZ-NE1 3.6Å; N165-W168 PolarHBondContact O-N 2.76Å
169G49.7Very low51.3Low66 Ų66135.8 Ų135.868%0.6873%0.731SS**SBendtrans-92.7-18.3-173.300000116.3
170E48.4Very low51.9Low186 Ų186136.3 Ų136.387%0.86974%0.74SS**  trans-111.474.3-174.7-155.2169.8-166.600111.4P172E170-P172 WeakPolarHBondContact O-CD 3.04Å
171A49.1Very low52.5Low88 Ų88141.9 Ų141.973%0.72776%0.755SS**  trans-71.112316300000108.9Q173A171-Q173 PolarHBondContact O-N 2.8Å
172P46.5Very low53Low124 Ų124142.4 Ų142.481%0.80576%0.759SS**  trans-60.9135.4170.1-18.230.9000109.5E170 R174E170-P172 WeakPolarHBondContact O-CD 3.04Å; P172-R174 PolarHBondContact O-N 2.91Å
173Q49.2Very low53.8Low182 Ų182143.5 Ų143.585%0.8576%0.759SS**  trans-34.3123.7177.9-69.4-74.4-700113.6A171 T175A171-Q173 PolarHBondContact O-N 2.8Å; Q173-T175 PolarHBondContact O-N 3.45Å
174R49.7Very low54.9Low240 Ų240145.6 Ų145.691%0.90676%0.762SS**  trans-53116.8168.2-75.6175.5171.5175.3-3.5110P172P172-R174 PolarHBondContact O-N 2.91Å
175T44.8Very low56.5Low127 Ų127142 Ų14278%0.77975%0.748SS**  trans-74.4137.4154.245.20000109.2Q173 G177Q173-T175 PolarHBondContact O-N 3.45Å; T175-G177 PolarHBondContact O-N 2.82Å
176P57.6Low57.7Low139 Ų139143 Ų14390%0.90375%0.753SS**  trans-83.4105.5175.232.1-27.6000109
177G43.9Very low59.1Low51 Ų51141 Ų14153%0.52674%0.742SS.*  trans-146.5134.1167.100000108.6T175 E179T175-G177 PolarHBondContact O-N 2.82Å; G177-E179 PolarHBondContact O-N 3.29Å
178P55.3Low60.6Low140 Ų140135.2 Ų135.291%0.90972%0.722SS**  trans-79.164.5176.736-33.6000108.6A180P178-A180 PolarHBondContact O-N 2.78Å
179E56.4Low61.9Low179 Ų179127.9 Ų127.984%0.83670%0.704SS**  trans-87.795.6160.5-65.7-165.1-176.400105.1G177 K181G177-E179 PolarHBondContact O-N 3.29Å; E179-K181 PolarHBondContact O-N 2.84Å
180A64.7Low63.5Low88 Ų88127 Ų12773%0.72769%0.685SS**  trans-49.3118.9168.400000106.3P178 E182P178-A180 PolarHBondContact O-N 2.78Å; A180-E182 PolarHBondContact O-N 2.93Å
181K64.7Low65Low207 Ų207123 Ų12390%0.968%0.678SS**  trans-60.396.9171-66177.8177.6-173.30105.6E179 D183E179-K181 PolarHBondContact O-N 2.84Å; K181-D183 PolarHBondContact O-N 3.13Å; K181-D183 VanDerWaalsContact O-N 3.12Å
182E66.8Low66.4Low162 Ų162123.9 Ų123.976%0.75768%0.679SS**  trans-65.8111.5171.8-102.3179.1168.700106.3A180 R184A180-E182 PolarHBondContact O-N 2.93Å; E182-R184 PolarHBondContact O-N 3.01Å
183D71.9Confident67.9Low104 Ų104118.7 Ų118.756%0.55665%0.648SS**  trans-64.7119.3170.4-146.2-23.8000107K181 D185 S188K181-D183 PolarHBondContact O-N 3.13Å; K181-D183 VanDerWaalsContact O-N 3.12Å; D183-D185 WeakPolarHBondContact CB-OD1 3.42Å; D183-D185 VanDerWaalsContact OD1-CG 3.23Å; D183-D185 PolarHBondContact OD1-N 3.27Å; D183-S188 WeakPolarHBondContact O-CB 3.4Å; D183-S188 PolarHBondContact O-OG 3.46Å
184R76.8Confident69.4Low227 Ų227111.1 Ų111.186%0.85762%0.619SS**  trans-99.831177.1-74.2-169.7173.9165.60.1110E182E182-R184 PolarHBondContact O-N 3.01Å
185D82.9Confident70.8Confident48 Ų48104.6 Ų104.626%0.25760%0.601SS.*SBendtrans-74.5162.6167.357.25.2000110.8D183 D187 S188D183-D185 WeakPolarHBondContact CB-OD1 3.42Å; D183-D185 VanDerWaalsContact OD1-CG 3.23Å; D183-D185 PolarHBondContact OD1-N 3.27Å; D185-D187 VanDerWaalsContact C-N 3.29Å; D185-D187 WeakPolarHBondContact CB-OD1 3.37Å; D185-D187 PolarHBondContact O-N 2.74Å; D185-S188 PolarHBondContact O-N 3.49Å; D185-S188 VanDerWaalsContact OD1-CB 3.27Å; D185-S188 WeakPolarHBondContact OD1-CB 3.24Å; D185-S188 PolarHBondContact OD1-N 2.79Å; D185-S188 PolarHBondContact OD1-OG 2.8Å
186L80.6Confident72.2Confident142 Ų142103.4 Ų103.474%0.74359%0.59SS**Hα-helixtrans-70.5-29.7-171.6-73.5168.4000111.9S188 A189 V190L186-S188 VanDerWaalsContact C-N 3.34Å; L186-A189 WeakPolarHBondContact O-CB 3.39Å; L186-A189 PolarHBondContact O-N 2.92Å; L186-V190 WeakPolarHBondContact O-CG2 3.39Å; L186-V190 PolarHBondContact O-N 2.82Å
187D80.5Confident72.9Confident95 Ų95103.4 Ų103.451%0.50858%0.578SS.*Hα-helixtrans-66.7-31.3176.548.6-42.8000112.7D185 V190 S191D185-D187 VanDerWaalsContact C-N 3.29Å; D185-D187 WeakPolarHBondContact CB-OD1 3.37Å; D185-D187 PolarHBondContact O-N 2.74Å; D187-V190 PolarHBondContact O-N 2.77Å; D187-S191 VanDerWaalsContact O-CB 3.22Å; D187-S191 WeakPolarHBondContact O-CB 3.39Å; D187-S191 PolarHBondContact O-N 3.41Å; D187-S191 PolarHBondContact O-OG 3.26Å
188S82.8Confident74.3Confident46 Ų46105.2 Ų105.232%0.32258%0.575SS.*Hα-helixtrans-66.8-39.1170.1-65.40000112.4D183 D185 L186 S191 S192D183-S188 WeakPolarHBondContact O-CB 3.4Å; D183-S188 PolarHBondContact O-OG 3.46Å; D185-S188 PolarHBondContact O-N 3.49Å; D185-S188 VanDerWaalsContact OD1-CB 3.27Å; D185-S188 WeakPolarHBondContact OD1-CB 3.24Å; D185-S188 PolarHBondContact OD1-N 2.79Å; D185-S188 PolarHBondContact OD1-OG 2.8Å; L186-S188 VanDerWaalsContact C-N 3.34Å; S188-S191 PolarHBondContact O-N 3.08Å; S188-S192 WeakPolarHBondContact O-CB 3.5Å; S188-S192 PolarHBondContact O-N 3.21Å; S188-S192 VanDerWaalsContact O-N 3.09Å; S188-S192 PolarHBondContact O-OG 3.4Å
189A78.5Confident75.2Confident45 Ų45105 Ų10537%0.37257%0.565SS.*Hα-helixtrans-68.3-40.3174.100000112L186 S191 S192 G193 I198L186-A189 WeakPolarHBondContact O-CB 3.39Å; L186-A189 PolarHBondContact O-N 2.92Å; A189-S191 VanDerWaalsContact C-N 3.34Å; A189-S192 PolarHBondContact O-N 2.73Å; A189-S192 PolarHBondContact O-OG 2.77Å; A189-G193 PolarHBondContact O-N 2.9Å; A189-I198 HydrophobicContact CB-CD1 4.47Å
190V81.9Confident76Confident46 Ų46100.9 Ų100.928%0.27955%0.553SS.*Hα-helixtrans-64.1-39.8173.8171.90000111L186 D187 G194 L195 I198L186-V190 WeakPolarHBondContact O-CG2 3.39Å; L186-V190 PolarHBondContact O-N 2.82Å; D187-V190 PolarHBondContact O-N 2.77Å; V190-G194 WeakPolarHBondContact O-CA 3.35Å; V190-G194 PolarHBondContact O-N 2.81Å; V190-L195 HydrophobicContact CG1-CD2 3.94Å; V190-L195 HydrophobicContact CG1-CG 3.79Å; V190-L195 HydrophobicContact CG2-CD2 3.79Å; V190-L195 HydrophobicContact CG2-CG 4.5Å; V190-I198 HydrophobicContact CB-CD1 4.25Å; V190-I198 HydrophobicContact CG2-CD1 3.42Å; V190-I198 VanDerWaalsContact CG2-CD1 3.42Å
191S79.8Confident76Confident104 Ų10498.9 Ų98.973%0.72753%0.532SS*.Hα-helixtrans-70.8-29.6-179.3-620000113.1D187 S188 A189D187-S191 VanDerWaalsContact O-CB 3.22Å; D187-S191 WeakPolarHBondContact O-CB 3.39Å; D187-S191 PolarHBondContact O-N 3.41Å; D187-S191 PolarHBondContact O-OG 3.26Å; S188-S191 PolarHBondContact O-N 3.08Å; A189-S191 VanDerWaalsContact C-N 3.34Å
192S80.1Confident76.3Confident105 Ų10593.4 Ų93.473%0.73452%0.517SS*.Hα-helixtrans-93.1-37.2-178.6530000114S188 A189S188-S192 WeakPolarHBondContact O-CB 3.5Å; S188-S192 PolarHBondContact O-N 3.21Å; S188-S192 VanDerWaalsContact O-N 3.09Å; S188-S192 PolarHBondContact O-OG 3.4Å; A189-S192 PolarHBondContact O-N 2.73Å; A189-S192 PolarHBondContact O-OG 2.77Å
193G77.5Confident76Confident16 Ų1693.4 Ų93.417%0.16553%0.528CS..Hα-helixtrans-108.4-10.7-176.400000115.3A189 Q197A189-G193 PolarHBondContact O-N 2.9Å; G193-Q197 WeakPolarHBondContact O-CB 3.34Å; G193-Q197 WeakPolarHBondContact O-CG 3.38Å; G193-Q197 PolarHBondContact O-NE2 3.4Å; G193-Q197 PolarHBondContact O-OE1 3.2Å
194G80.2Confident75.5Confident22 Ų2292.1 Ų92.123%0.22754%0.54CS..Hα-helixtrans75155.5-172.700000113V190 D196 Q197V190-G194 WeakPolarHBondContact O-CA 3.35Å; V190-G194 PolarHBondContact O-N 2.81Å; G194-D196 WeakPolarHBondContact CA-OD1 3.39Å; G194-D196 PolarHBondContact O-N 3.42Å; G194-Q197 PolarHBondContact O-N 3Å
195L79.6Confident74.7Confident103 Ų10387.8 Ų87.854%0.53953%0.529SS..Hα-helixtrans-63.4-29176.1-79.2170.7000112V190 I198 L199V190-L195 HydrophobicContact CG1-CD2 3.94Å; V190-L195 HydrophobicContact CG1-CG 3.79Å; V190-L195 HydrophobicContact CG2-CD2 3.79Å; V190-L195 HydrophobicContact CG2-CG 4.5Å; L195-I198 PolarHBondContact O-N 3.44Å; L195-L199 HydrophobicContact CB-CD1 4.31Å; L195-L199 WeakPolarHBondContact O-CB 3.35Å; L195-L199 WeakPolarHBondContact O-CG 3.31Å; L195-L199 PolarHBondContact O-N 3.12Å
196D73.3Confident73.7Confident103 Ų10392.8 Ų92.855%0.55156%0.556SS**Hα-helixtrans-62.3-40.5179.359.7-48.4000112.3G194 I198 L199 T200G194-D196 WeakPolarHBondContact CA-OD1 3.39Å; G194-D196 PolarHBondContact O-N 3.42Å; D196-I198 VanDerWaalsContact C-N 3.3Å; D196-I198 PolarHBondContact O-N 2.97Å; D196-L199 PolarHBondContact O-N 3.11Å; D196-T200 WeakPolarHBondContact O-CB 3.44Å; D196-T200 PolarHBondContact O-N 3.28Å; D196-T200 PolarHBondContact O-OG1 3.28Å
197Q72.8Confident72.8Confident139 Ų13990.7 Ų90.765%0.6555%0.551SS**Hα-helixtrans-69.3-27.4175.5-75.7179.920.900113.4G193 G194G193-Q197 WeakPolarHBondContact O-CB 3.34Å; G193-Q197 WeakPolarHBondContact O-CG 3.38Å; G193-Q197 PolarHBondContact O-NE2 3.4Å; G193-Q197 PolarHBondContact O-OE1 3.2Å; G194-Q197 PolarHBondContact O-N 3Å
198I73.7Confident72.2Confident89 Ų8991.6 Ų91.646%0.45657%0.565SS.*Hα-helixtrans-81.5-35.3179.1-62.8167.9000110.7A189 V190 L195 D196A189-I198 HydrophobicContact CB-CD1 4.47Å; V190-I198 HydrophobicContact CB-CD1 4.25Å; V190-I198 HydrophobicContact CG2-CD1 3.42Å; V190-I198 VanDerWaalsContact CG2-CD1 3.42Å; L195-I198 PolarHBondContact O-N 3.44Å; D196-I198 VanDerWaalsContact C-N 3.3Å; D196-I198 PolarHBondContact O-N 2.97Å
199L73Confident71.6Confident135 Ų13597.2 Ų97.271%0.70759%0.586SS**Hα-helixtrans-85.7-19.4-180-64.5174.9000112.9L195 D196 P201L195-L199 HydrophobicContact CB-CD1 4.31Å; L195-L199 WeakPolarHBondContact O-CB 3.35Å; L195-L199 WeakPolarHBondContact O-CG 3.31Å; L195-L199 PolarHBondContact O-N 3.12Å; D196-L199 PolarHBondContact O-N 3.11Å; L199-P201 WeakPolarHBondContact O-CD 3.44Å
200T73.4Confident71.1Confident93 Ų93100.9 Ų100.957%0.57161%0.606SS**SBendtrans-78.8117.1176.4-58.60000109.6D196D196-T200 WeakPolarHBondContact O-CB 3.44Å; D196-T200 PolarHBondContact O-N 3.28Å; D196-T200 PolarHBondContact O-OG1 3.28Å
201P65.5Low70.4Confident45 Ų45106.2 Ų106.229%0.29263%0.628SS.*PPolyproline II helixtrans-63.4149.6176.725.7-32000110.7L199 V203 Q205 P207L199-P201 WeakPolarHBondContact O-CD 3.44Å; P201-V203 PolarHBondContact O-N 3.44Å; P201-Q205 WeakPolarHBondContact CG-O 3.37Å; P201-P207 HydrophobicContact CG-CB 4.11Å; P201-P207 HydrophobicContact CG-CG 4.02Å
202P71.4Confident69.7Low92 Ų92107.1 Ų107.160%0.59763%0.634SS**PPolyproline II helixtrans-55.8137.3179.820.5-30.7000111.1G204 Q205P202-G204 PolarHBondContact O-N 2.85Å; P202-G204 VanDerWaalsContact O-N 3.11Å; P202-Q205 PolarHBondContact O-N 3.03Å
203V59Low69.3Low162 Ų162110.9 Ų110.998%0.98263%0.632SS**THydrogen-bonded Turntrans-46.8117.6-175.6179.80000110.6P201P201-V203 PolarHBondContact O-N 3.44Å
204G62.6Low68.8Low78 Ų78113.4 Ų113.480%0.80465%0.647SS**THydrogen-bonded Turntrans109.4-6-18000000115.3P202P202-G204 PolarHBondContact O-N 2.85Å; P202-G204 VanDerWaalsContact O-N 3.11Å
205Q59.1Low68.7Low136 Ų136120.5 Ų120.564%0.63667%0.672SS**  trans-109.1107.7170.1-65.7-173.66.300109.9P201 P202P201-Q205 WeakPolarHBondContact CG-O 3.37Å; P202-Q205 PolarHBondContact O-N 3.03Å
206N61.9Low68.9Low153 Ų153122 Ų12282%0.81867%0.674SS**PPolyproline II helixtrans-62.7126.1164.9-68.4-24000107.2S208N206-S208 PolarHBondContact O-N 3.39Å
207P62.4Low69.7Low98 Ų98123 Ų12364%0.63668%0.675SS**PPolyproline II helixtrans-60.9119.1176.924-27.7000107P201 E209P201-P207 HydrophobicContact CG-CB 4.11Å; P201-P207 HydrophobicContact CG-CG 4.02Å; P207-E209 PolarHBondContact O-N 3.04Å
208S67.2Low70.5Confident113 Ų113117.9 Ų117.979%0.7966%0.655SS**PPolyproline II helixtrans-59.7116.9171.463.30000106.5N206N206-S208 PolarHBondContact O-N 3.39Å
209E70.1Confident71.5Confident165 Ų165117 Ų11777%0.77165%0.654SS**  trans-45.3134.7177.3-169.7177.7179.400109.8P207 Q211P207-E209 PolarHBondContact O-N 3.04Å; E209-Q211 PolarHBondContact O-N 2.98Å
210P67.9Low72.5Confident122 Ų122114.5 Ų114.579%0.79264%0.644SS**  trans-59.4105.9-179.823.7-32.9000109.3S212P210-S212 PolarHBondContact O-N 3.37Å; P210-S212 VanDerWaalsContact O-N 3.12Å
211Q67.6Low73.6Confident158 Ų158113.8 Ų113.874%0.73864%0.64SS**  trans-68.3113.1179.5-69.4-174.3-22.500109.2E209 R213E209-Q211 PolarHBondContact O-N 2.98Å; Q211-R213 PolarHBondContact O-N 3.28Å
212S66.2Low75Confident122 Ų122114.8 Ų114.885%0.85365%0.645SS**  trans-64.6101.9170.6620000109.2P210 S214P210-S212 PolarHBondContact O-N 3.37Å; P210-S212 VanDerWaalsContact O-N 3.12Å; S212-S214 PolarHBondContact O-N 3.09Å
213R70.7Confident76.1Confident185 Ų185117 Ų11770%0.69865%0.645SS**  trans-83.8110.4174.8-65.7-177.2175.6-173.2-2.7109.2Q211 F215Q211-R213 PolarHBondContact O-N 3.28Å; R213-F215 HydrophobicContact CB-CD2 4.12Å; R213-F215 HydrophobicContact CB-CE1 4.41Å; R213-F215 HydrophobicContact CB-CE2 3.38Å; R213-F215 HydrophobicContact CB-CZ 3.57Å; R213-F215 HydrophobicContact CG-CE2 4.44Å; R213-F215 HydrophobicContact CG-CZ 4.27Å; R213-F215 WeakPolarHBondContact O-CD2 3.42Å; R213-F215 PolarHBondContact O-N 2.96Å
214S67.5Low77.9Confident68 Ų68112 Ų11248%0.47662%0.615SS.*  trans-82.2108.3172.2-178.10000109.8S212S212-S214 PolarHBondContact O-N 3.09Å
215F78.1Confident79.4Confident172 Ų172113.1 Ų113.175%0.75461%0.606SS**  trans-98.915.4173.4-59-77.5000112.4R213 Q217R213-F215 HydrophobicContact CB-CD2 4.12Å; R213-F215 HydrophobicContact CB-CE1 4.41Å; R213-F215 HydrophobicContact CB-CE2 3.38Å; R213-F215 HydrophobicContact CB-CZ 3.57Å; R213-F215 HydrophobicContact CG-CE2 4.44Å; R213-F215 HydrophobicContact CG-CZ 4.27Å; R213-F215 WeakPolarHBondContact O-CD2 3.42Å; R213-F215 PolarHBondContact O-N 2.96Å; F215-Q217 PolarHBondContact O-N 3.45Å
216F84Confident81.1Confident133 Ų133109.1 Ų109.158%0.58359%0.586SS**  trans-65.8132.5-176.8178.6-102.1000110.8D239 G240F216-D239 CarbonylContact O-C 3.53Å; F216-G240 PolarHBondContact O-N 2.87Å
217Q89.1Confident82.5Confident124 Ų124108.8 Ų108.858%0.57959%0.592SS**EExtended strand (participates in β ladder)trans-134.2123.7170.3-174.1176.25100108.2F215 V237 R238F215-Q217 PolarHBondContact O-N 3.45Å; Q217-V237 HydrophobicContact CG-CG1 3.66Å; Q217-R238 CarbonylContact C-O 3.5Å; Q217-R238 WeakPolarHBondContact CA-O 3.39Å
218S90.6Very high83.6Confident32 Ų32108.7 Ų108.722%0.22459%0.587CS.*EExtended strand (participates in β ladder)trans-99.2137.1173.256.20000110.1V237 R238S218-V237 CarbonylContact O-C 3.5Å; S218-V237 WeakPolarHBondContact O-CA 3.24Å; S218-R238 PolarHBondContact N-O 2.91Å; S218-R238 PolarHBondContact O-N 3.39Å; S218-R238 WeakPolarHBondContact OG-CB 3.32Å; S218-R238 PolarHBondContact OG-O 3.18Å
219V94.9Very high84.6Confident72 Ų72105.5 Ų105.544%0.43657%0.572SS.*EExtended strand (participates in β ladder)trans-125.4121.3177.8-175.40000108.4V221 R235 T236 V237V219-V221 HydrophobicContact CG1-CG2 4.11Å; V219-R235 HydrophobicContact CG1-CG 4.25Å; V219-T236 CarbonylContact C-O 3.56Å; V219-T236 WeakPolarHBondContact CA-O 3.17Å; V219-V237 HydrophobicContact CG1-CG2 4.32Å; V219-V237 HydrophobicContact CG2-CG1 4.42Å; V219-V237 HydrophobicContact CG2-CG2 4.29Å
220V93.8Very high85.7Confident81 Ų8198.3 Ų98.349%0.49154%0.539SS..EExtended strand (participates in β ladder)trans-112.4124.5174.81800000108.1R235 T236V220-R235 CarbonylContact O-C 3.46Å; V220-R235 WeakPolarHBondContact O-CA 3.37Å; V220-T236 PolarHBondContact N-O 3.09Å; V220-T236 PolarHBondContact O-N 2.91Å
221V95.6Very high86.9Confident79 Ų7993.6 Ų93.648%0.47951%0.508SS..EExtended strand (participates in β ladder)trans-117.5121.2175.6-175.10000108.6V219 E233 R234 R235V219-V221 HydrophobicContact CG1-CG2 4.11Å; V221-E233 HydrophobicContact CG1-CG 3.67Å; V221-R234 CarbonylContact C-O 3.54Å; V221-R234 WeakPolarHBondContact CA-O 3.18Å; V221-R235 HydrophobicContact CG2-CB 4.5Å; V221-R235 HydrophobicContact CG2-CG 4.25Å
222T95.2Very high88.2Confident66 Ų6686.9 Ų86.941%0.40548%0.476SS..EExtended strand (participates in β ladder)trans-113.7112.2176.6-49.70000108.8V224 E233 R234T222-V224 HydrophobicContact CG2-CG2 4.28Å; T222-E233 CarbonylContact O-C 3.55Å; T222-E233 WeakPolarHBondContact O-CA 3.46Å; T222-R234 PolarHBondContact N-O 3.06Å; T222-R234 PolarHBondContact O-N 2.6Å
223K95.6Very high89.6Confident137 Ų13784.4 Ų84.460%0.59645%0.451SS*.EExtended strand (participates in β ladder)trans-107.4117.1178.4-171178.8-176.5-179.70109.4V231 E232K223-V231 HydrophobicContact CD-CG1 4.13Å; K223-V231 HydrophobicContact CG-CG1 3.67Å; K223-E232 CarbonylContact C-O 3.54Å; K223-E232 WeakPolarHBondContact CA-O 3.43Å
224V96Very high90.8Very high59 Ų5980.9 Ų80.936%0.35844%0.438SS..EExtended strand (participates in β ladder)trans-108.8117.4178.6-1780000108.2T222 V231 E232T222-V224 HydrophobicContact CG2-CG2 4.28Å; V224-V231 CarbonylContact O-C 3.52Å; V224-V231 WeakPolarHBondContact O-CA 3.41Å; V224-E232 HydrophobicContact CB-CB 4.47Å; V224-E232 PolarHBondContact N-O 3.07Å; V224-E232 PolarHBondContact O-N 3.11Å
225V94.8Very high92.2Very high101 Ų10183.6 Ų83.661%0.61244%0.438SS*.EExtended strand (participates in β ladder)trans-94.3126.3170.6-174.30000107.8V231V225-V231 HydrophobicContact CG1-CG2 4.49Å; V225-V231 HydrophobicContact CG2-CG2 4.27Å
226K93.3Very high93Very high52 Ų5276.7 Ų76.723%0.22641%0.41CS..  trans-93.5158.1179.5-71.2-168.3-154166.80111D228 G229 T230 E232K226-D228 WeakPolarHBondContact CB-OD1 3.49Å; K226-D228 PolarHBondContact O-N 2.87Å; K226-D228 VanDerWaalsContact O-N 3.15Å; K226-G229 PolarHBondContact O-N 3.48Å; K226-T230 WeakPolarHBondContact CD-OG1 3.34Å; K226-T230 PolarHBondContact N-O 3.42Å; K226-E232 VanDerWaalsContact CE-CD 3.49Å; K226-E232 WeakPolarHBondContact CE-OE1 3.47Å; K226-E232 IonicContact NZ-OE1 3.66Å; K226-E232 PolarHBondContact NZ-OE1 3.47Å
227P91.8Very high93.6Very high145 Ų14571.6 Ų71.694%0.94239%0.39SS*.THydrogen-bonded Turntrans-63.8-16.5176.526.6-35.9000113.6G229P227-G229 PolarHBondContact O-N 3.04Å
228D86.9Confident93.8Very high97 Ų9772.1 Ų72.152%0.51939%0.386SS..THydrogen-bonded Turntrans-80.93.6174.664.61.7000113.4K226 T230K226-D228 WeakPolarHBondContact CB-OD1 3.49Å; K226-D228 PolarHBondContact O-N 2.87Å; K226-D228 VanDerWaalsContact O-N 3.15Å; D228-T230 VanDerWaalsContact CG-OG1 3.27Å; D228-T230 PolarHBondContact O-N 3.17Å; D228-T230 VanDerWaalsContact OD1-CB 3.29Å; D228-T230 WeakPolarHBondContact OD1-CB 3.34Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.41Å; D228-T230 PolarHBondContact OD1-N 3.34Å; D228-T230 PolarHBondContact OD1-OG1 3.21Å; D228-T230 PolarHBondContact OD2-OG1 2.89Å
229G87.1Confident93.9Very high46 Ų4672.7 Ų72.747%0.47439%0.387SS..SBendtrans80.2-4.2-17700000114.1K226 P227 G252K226-G229 PolarHBondContact O-N 3.48Å; P227-G229 PolarHBondContact O-N 3.04Å; G229-G252 CarbonylContact C-O 3.54Å
230T92.6Very high93.2Very high13 Ų1370.9 Ų70.98%0.0838%0.383CS..  trans-77.1151.8175710000111.1K226 D228 S251 G252K226-T230 WeakPolarHBondContact CD-OG1 3.34Å; K226-T230 PolarHBondContact N-O 3.42Å; D228-T230 VanDerWaalsContact CG-OG1 3.27Å; D228-T230 PolarHBondContact O-N 3.17Å; D228-T230 VanDerWaalsContact OD1-CB 3.29Å; D228-T230 WeakPolarHBondContact OD1-CB 3.34Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.41Å; D228-T230 PolarHBondContact OD1-N 3.34Å; D228-T230 PolarHBondContact OD1-OG1 3.21Å; D228-T230 PolarHBondContact OD2-OG1 2.89Å; T230-S251 CarbonylContact C-O 3.52Å; T230-S251 WeakPolarHBondContact CA-O 3.36Å; T230-G252 WeakPolarHBondContact CA-O 3.27Å; T230-G252 WeakPolarHBondContact CG2-O 3.47Å
231V93.6Very high92.7Very high23 Ų2374.5 Ų74.514%0.13939%0.394CS..EExtended strand (participates in β ladder)trans-123.2127.2-179.3-179.50000108.1K223 V224 V225 R250 S251K223-V231 HydrophobicContact CD-CG1 4.13Å; K223-V231 HydrophobicContact CG-CG1 3.67Å; V224-V231 CarbonylContact O-C 3.52Å; V224-V231 WeakPolarHBondContact O-CA 3.41Å; V225-V231 HydrophobicContact CG1-CG2 4.49Å; V225-V231 HydrophobicContact CG2-CG2 4.27Å; V231-R250 CarbonylContact O-C 3.52Å; V231-R250 VanDerWaalsContact O-CA 3.24Å; V231-R250 WeakPolarHBondContact O-CA 3.3Å; V231-S251 PolarHBondContact N-O 2.98Å; V231-S251 PolarHBondContact O-N 3.17Å
232E94.8Very high92.1Very high17 Ų1772.7 Ų72.78%0.07939%0.392CS..EExtended strand (participates in β ladder)trans-109119.8168.6-69.1-174.9-175.100109.1K223 V224 K226 R234 T249 R250K223-E232 CarbonylContact C-O 3.54Å; K223-E232 WeakPolarHBondContact CA-O 3.43Å; V224-E232 HydrophobicContact CB-CB 4.47Å; V224-E232 PolarHBondContact N-O 3.07Å; V224-E232 PolarHBondContact O-N 3.11Å; K226-E232 VanDerWaalsContact CE-CD 3.49Å; K226-E232 WeakPolarHBondContact CE-OE1 3.47Å; K226-E232 IonicContact NZ-OE1 3.66Å; K226-E232 PolarHBondContact NZ-OE1 3.47Å; E232-R234 IonicContact OE2-CZ 2.66Å; E232-R234 IonicContact OE2-NH2 3.87Å; E232-R234 PolarHBondContact OE2-NH2 3.42Å; E232-T249 CarbonylContact C-O 3.51Å; E232-T249 WeakPolarHBondContact CA-O 3.32Å; E232-R250 HydrophobicContact CG-CG 4.15Å; E232-R250 IonicContact OE1-CZ 3.02Å; E232-R250 IonicContact OE1-NE 3.52Å; E232-R250 IonicContact OE1-NH1 3.58Å; E232-R250 IonicContact OE1-NH2 2.67Å; E232-R250 PolarHBondContact OE1-NH2 3.41Å
233E96Very high91.7Very high70 Ų7074.5 Ų74.533%0.32740%0.399SS..EExtended strand (participates in β ladder)trans-108.9125173.1178.2-176.2122.200109.6V221 T222 V248 T249V221-E233 HydrophobicContact CG1-CG 3.67Å; T222-E233 CarbonylContact O-C 3.55Å; T222-E233 WeakPolarHBondContact O-CA 3.46Å; E233-V248 CarbonylContact O-C 3.55Å; E233-V248 VanDerWaalsContact O-CA 3.31Å; E233-V248 WeakPolarHBondContact O-CA 3.5Å; E233-T249 WeakPolarHBondContact CB-OG1 3.37Å; E233-T249 PolarHBondContact N-O 3.42Å; E233-T249 PolarHBondContact O-N 3.4Å; E233-T249 PolarHBondContact O-OG1 3.38Å
234R96.1Very high91.6Very high111 Ų11173.9 Ų73.942%0.41940%0.398SS..EExtended strand (participates in β ladder)trans-111.8112.5176.5-55.8-175178.41437.4108.5V221 T222 E232 T247 V248V221-R234 CarbonylContact C-O 3.54Å; V221-R234 WeakPolarHBondContact CA-O 3.18Å; T222-R234 PolarHBondContact N-O 3.06Å; T222-R234 PolarHBondContact O-N 2.6Å; E232-R234 IonicContact OE2-CZ 2.66Å; E232-R234 IonicContact OE2-NH2 3.87Å; E232-R234 PolarHBondContact OE2-NH2 3.42Å; R234-T247 CarbonylContact C-O 3.5Å; R234-T247 WeakPolarHBondContact CA-O 3.47Å; R234-V248 HydrophobicContact CB-CG2 4.43Å; R234-V248 HydrophobicContact CG-CG1 4.09Å; R234-V248 HydrophobicContact CG-CG2 3.95Å
235R95.6Very high91.5Very high125 Ų12578.2 Ų78.247%0.47241%0.412SS..EExtended strand (participates in β ladder)trans-105115.8177.1178.5178.1179.9-167.30.7110V219 V220 V221 V237 T246 T247V219-R235 HydrophobicContact CG1-CG 4.25Å; V220-R235 CarbonylContact O-C 3.46Å; V220-R235 WeakPolarHBondContact O-CA 3.37Å; V221-R235 HydrophobicContact CG2-CB 4.5Å; V221-R235 HydrophobicContact CG2-CG 4.25Å; R235-V237 HydrophobicContact CG-CG2 4.21Å; R235-T246 CarbonylContact O-C 3.56Å; R235-T246 WeakPolarHBondContact O-CA 3.3Å; R235-T247 PolarHBondContact N-O 3.43Å; R235-T247 PolarHBondContact O-N 2.66Å
236T96Very high91.5Very high28 Ų2877.1 Ų77.117%0.17241%0.406CS..EExtended strand (participates in β ladder)trans-109.2125.1175.3-56.40000109.6V219 V220 Q244 K245V219-T236 CarbonylContact C-O 3.56Å; V219-T236 WeakPolarHBondContact CA-O 3.17Å; V220-T236 PolarHBondContact N-O 3.09Å; V220-T236 PolarHBondContact O-N 2.91Å; T236-Q244 HydrophobicContact CG2-CG 3.48Å; T236-Q244 VanDerWaalsContact CG2-CG 3.48Å; T236-K245 CarbonylContact C-O 3.52Å; T236-K245 WeakPolarHBondContact CA-O 3.36Å
237V96.1Very high91.6Very high26 Ų2677.8 Ų77.816%0.15841%0.414CS..EExtended strand (participates in β ladder)trans-116.7119.7178.6-178.90000108.1Q217 S218 V219 R235 Q244 K245Q217-V237 HydrophobicContact CG-CG1 3.66Å; S218-V237 CarbonylContact O-C 3.5Å; S218-V237 WeakPolarHBondContact O-CA 3.24Å; V219-V237 HydrophobicContact CG1-CG2 4.32Å; V219-V237 HydrophobicContact CG2-CG1 4.42Å; V219-V237 HydrophobicContact CG2-CG2 4.29Å; R235-V237 HydrophobicContact CG-CG2 4.21Å; V237-Q244 CarbonylContact O-C 3.54Å; V237-Q244 WeakPolarHBondContact O-CA 3.15Å; V237-K245 PolarHBondContact N-O 3.45Å; V237-K245 PolarHBondContact O-N 3.3Å
238R94.4Very high91.7Very high135 Ų13574.9 Ų74.951%0.50939%0.394SS..EExtended strand (participates in β ladder)trans-119.8126178173.3-175.4-171.6-169.13.9110.8Q217 S218 N243 Q244Q217-R238 CarbonylContact C-O 3.5Å; Q217-R238 WeakPolarHBondContact CA-O 3.39Å; S218-R238 PolarHBondContact N-O 2.91Å; S218-R238 PolarHBondContact O-N 3.39Å; S218-R238 WeakPolarHBondContact OG-CB 3.32Å; S218-R238 PolarHBondContact OG-O 3.18Å; R238-N243 CarbonylContact C-O 3.57Å; R238-N243 VanDerWaalsContact CA-O 3.24Å; R238-N243 WeakPolarHBondContact CA-O 3.22Å; R238-Q244 HydrophobicContact CB-CB 4.43Å; R238-Q244 HydrophobicContact CB-CG 4.46Å
239D91.6Very high91.9Very high43 Ų4373.6 Ų73.623%0.2339%0.39CS..EExtended strand (participates in β ladder)trans-88.5170.517972.513.7000112.8F216 H241 G242 N243F216-D239 CarbonylContact O-C 3.53Å; D239-H241 PolarHBondContact O-N 3.27Å; D239-H241 WeakPolarHBondContact OD1-CA 3.2Å; D239-H241 PolarHBondContact OD1-N 2.7Å; D239-G242 PolarHBondContact O-N 2.83Å; D239-G242 VanDerWaalsContact O-N 3.13Å; D239-G242 PolarHBondContact OD1-N 3.43Å; D239-N243 PolarHBondContact N-O 3.24Å; D239-N243 WeakPolarHBondContact OD1-CA 3.33Å; D239-N243 WeakPolarHBondContact OD1-CB 3.17Å; D239-N243 PolarHBondContact OD1-N 3.45Å; D239-N243 PolarHBondContact OD1-ND2 3.46Å; D239-N243 WeakPolarHBondContact OD2-CB 3.2Å; D239-N243 PolarHBondContact OD2-ND2 2.8Å
240G81.1Confident92.1Very high35 Ų3579.3 Ų79.336%0.36140%0.397SS..THydrogen-bonded Turntrans-68.3-10.7177.500000114.6F216F216-G240 PolarHBondContact O-N 2.87Å
241H83.4Confident91.6Very high156 Ų15682.2 Ų82.272%0.72242%0.418SS*.THydrogen-bonded Turntrans-91.5-2.5173.7-57.494.9000112.1D239D239-H241 PolarHBondContact O-N 3.27Å; D239-H241 WeakPolarHBondContact OD1-CA 3.2Å; D239-H241 PolarHBondContact OD1-N 2.7Å
242G81.5Confident90.6Very high42 Ų4283.5 Ų83.543%0.43344%0.436SS..SBendtrans88.52.5-179.900000114.9D239D239-G242 PolarHBondContact O-N 2.83Å; D239-G242 VanDerWaalsContact O-N 3.13Å; D239-G242 PolarHBondContact OD1-N 3.43Å
243N87.8Confident89Confident104 Ų10485 Ų8556%0.55646%0.456SS*.  trans-72.4136.7173.8-52.1-59.9000110.1R238 D239R238-N243 CarbonylContact C-O 3.57Å; R238-N243 VanDerWaalsContact CA-O 3.24Å; R238-N243 WeakPolarHBondContact CA-O 3.22Å; D239-N243 PolarHBondContact N-O 3.24Å; D239-N243 WeakPolarHBondContact OD1-CA 3.33Å; D239-N243 WeakPolarHBondContact OD1-CB 3.17Å; D239-N243 PolarHBondContact OD1-N 3.45Å; D239-N243 PolarHBondContact OD1-ND2 3.46Å; D239-N243 WeakPolarHBondContact OD2-CB 3.2Å; D239-N243 PolarHBondContact OD2-ND2 2.8Å
244Q93.1Very high86.7Confident124 Ų12487.5 Ų87.558%0.57948%0.478SS*.EExtended strand (participates in β ladder)trans-126131.4-179.3-177.6178.2-31.300111T236 V237 R238T236-Q244 HydrophobicContact CG2-CG 3.48Å; T236-Q244 VanDerWaalsContact CG2-CG 3.48Å; V237-Q244 CarbonylContact O-C 3.54Å; V237-Q244 WeakPolarHBondContact O-CA 3.15Å; R238-Q244 HydrophobicContact CB-CB 4.43Å; R238-Q244 HydrophobicContact CB-CG 4.46Å
245K94.4Very high84.5Confident149 Ų14990.8 Ų90.865%0.64850%0.498SS*.EExtended strand (participates in β ladder)trans-121.1122.3174.2-176175.4-177.1174.80110.6T236 V237T236-K245 CarbonylContact C-O 3.52Å; T236-K245 WeakPolarHBondContact CA-O 3.36Å; V237-K245 PolarHBondContact N-O 3.45Å; V237-K245 PolarHBondContact O-N 3.3Å
246T95.1Very high82Confident79 Ų7995.7 Ų95.749%0.48552%0.517SS..EExtended strand (participates in β ladder)trans-109.7127.5176.4-530000110.6R235R235-T246 CarbonylContact O-C 3.56Å; R235-T246 WeakPolarHBondContact O-CA 3.3Å
247T95.1Very high79.7Confident65 Ų65102 Ų10240%0.39955%0.549SS..EExtended strand (participates in β ladder)trans-118.2131.3175.3-57.10000108.9R234 R235 T249R234-T247 CarbonylContact C-O 3.5Å; R234-T247 WeakPolarHBondContact CA-O 3.47Å; R235-T247 PolarHBondContact N-O 3.43Å; R235-T247 PolarHBondContact O-N 2.66Å; T247-T249 HydrophobicContact CG2-CG2 4.45Å
248V93.4Very high77Confident84 Ų84108.3 Ų108.351%0.50958%0.581SS.*EExtended strand (participates in β ladder)trans-115.4125.6176-175.30000109.4E233 R234E233-V248 CarbonylContact O-C 3.55Å; E233-V248 VanDerWaalsContact O-CA 3.31Å; E233-V248 WeakPolarHBondContact O-CA 3.5Å; R234-V248 HydrophobicContact CB-CG2 4.43Å; R234-V248 HydrophobicContact CG-CG1 4.09Å; R234-V248 HydrophobicContact CG-CG2 3.95Å
249T92.2Very high74.1Confident70 Ų70104.8 Ų104.843%0.42959%0.587SS.*EExtended strand (participates in β ladder)trans-116.1143.7173.854.50000109.5E232 E233 T247E232-T249 CarbonylContact C-O 3.51Å; E232-T249 WeakPolarHBondContact CA-O 3.32Å; E233-T249 WeakPolarHBondContact CB-OG1 3.37Å; E233-T249 PolarHBondContact N-O 3.42Å; E233-T249 PolarHBondContact O-N 3.4Å; E233-T249 PolarHBondContact O-OG1 3.38Å; T247-T249 HydrophobicContact CG2-CG2 4.45Å
250R90.4Very high72.4Confident167 Ų167108.6 Ų108.663%0.6361%0.614SS**EExtended strand (participates in β ladder)trans-126.1131.1176.7-170.9-174.8-65.3-139.4-1.5109V231 E232V231-R250 CarbonylContact O-C 3.52Å; V231-R250 VanDerWaalsContact O-CA 3.24Å; V231-R250 WeakPolarHBondContact O-CA 3.3Å; E232-R250 HydrophobicContact CG-CG 4.15Å; E232-R250 IonicContact OE1-CZ 3.02Å; E232-R250 IonicContact OE1-NE 3.52Å; E232-R250 IonicContact OE1-NH1 3.58Å; E232-R250 IonicContact OE1-NH2 2.67Å; E232-R250 PolarHBondContact OE1-NH2 3.41Å
251S82.9Confident70.3Confident74 Ų74113.3 Ų113.352%0.51763%0.631SS.*EExtended strand (participates in β ladder)trans-136.7156.3179550000111.4T230 V231T230-S251 CarbonylContact C-O 3.52Å; T230-S251 WeakPolarHBondContact CA-O 3.36Å; V231-S251 PolarHBondContact N-O 2.98Å; V231-S251 PolarHBondContact O-N 3.17Å
252G70.9Confident68.1Low50 Ų50117.6 Ų117.652%0.51564%0.641SS.*  trans90.634.7169.400000118.4G229 T230G229-G252 CarbonylContact C-O 3.54Å; T230-G252 WeakPolarHBondContact CA-O 3.27Å; T230-G252 WeakPolarHBondContact CG2-O 3.47Å
253G61.2Low66.1Low49 Ų49123.5 Ų123.551%0.50566%0.657SS.*  trans-97.5157.1167.600000112.3E255G253-E255 PolarHBondContact O-N 3.46Å
254P49.1Very low63.5Low121 Ų121125.7 Ų125.779%0.78667%0.674SS**  trans-56.7130.3170.824.9-32.2000108.8R256P254-R256 PolarHBondContact O-N 3.39Å
255E48.4Very low60.6Low181 Ų181123 Ų12385%0.84668%0.68SS**  trans-49.493.7179.8-172.1-179.4178.500110.6G253G253-E255 PolarHBondContact O-N 3.46Å
256R43.3Very low57.9Low228 Ų228122.2 Ų122.286%0.8669%0.691SS**  trans-95.4104.8158.5-84.2-170.4160.2-165.3-5.2106.1P254 D258P254-R256 PolarHBondContact O-N 3.39Å; R256-D258 VanDerWaalsContact C-N 3.3Å; R256-D258 PolarHBondContact O-N 2.94Å
257L48.5Very low55.1Low161 Ų161124.7 Ų124.784%0.84371%0.705SS**  trans-40.399.7149.9-74.4153.6000108.3
258D39.8Very low52.3Low157 Ų157129.3 Ų129.384%0.8473%0.726SS**  trans-131.5111154.9-118.7-18.4000107.3R256R256-D258 VanDerWaalsContact C-N 3.3Å; R256-D258 PolarHBondContact O-N 2.94Å
259G33.6Very low49.9Very low62 Ų62131.2 Ų131.264%0.63974%0.741SS**  trans-67.7-173.2175.400000112.4D261G259-D261 PolarHBondContact O-N 3.28Å
260P54.2Low47.3Very low123 Ų123130.9 Ų130.980%0.79975%0.751SS**  trans-76126.6-159.832.5-32.5000111
261D38.4Very low44.6Very low134 Ų134130.7 Ų130.772%0.71776%0.763SS**  trans173.6116.3130.5-96.2-26.3000111.4G259G259-D261 PolarHBondContact O-N 3.28Å
262R37.4Very low42.7Very low246 Ų246132.6 Ų132.693%0.92878%0.776SS**  -167.688.7125.7-102.2168.7-174.5-154.10.3109.6
263Q39.5Very low41.6Very low166 Ų166137.3 Ų137.378%0.77679%0.789SS**  trans-59.3134.2160-60.2-179.32.300110
264T33.4Very low40.9Very low149 Ų149146 Ų14691%0.91481%0.807SS**  trans-153.6105147.5-36.20000109.1
265G30.7Very low40.5Very low68 Ų68150.2 Ų150.270%0.70181%0.813SS**SBendtrans124.5140.816800000115.1
266P39Very low40.5Very low133 Ų133147.3 Ų147.386%0.86481%0.813SS**PPolyproline II helixtrans-78.7142.8-134.330.7-34.7000115.2L268P266-L268 PolarHBondContact O-N 2.88Å
267V35.8Very low40.3Very low130 Ų130140.9 Ų140.979%0.78880%0.796SS**PPolyproline II helixtrans-61.5121.5172.4174.90000110.2
268L36.5Very low40.2Very low162 Ų162142.2 Ų142.285%0.84880%0.802SS**PPolyproline II helixtrans-100.4135.7151.8-73.7170.4000107.5P266P266-L268 PolarHBondContact O-N 2.88Å
269P41.6Very low40.7Very low124 Ų124144.9 Ų144.981%0.80580%0.801SS**PPolyproline II helixtrans-83.6124.3-179.333.2-29.1000109.4
270G37.8Very low41.3Very low63 Ų63146.4 Ų146.465%0.64979%0.794SS**  trans156.8109.5171.500000112.3
271D33.9Very low41.2Very low164 Ų164147.6 Ų147.688%0.87779%0.794SS**  trans83.251.1162-52.6-18.5000117.8N273D271-N273 PolarHBondContact O-N 3.23Å
272S43Very low42Very low113 Ų113148.7 Ų148.779%0.7980%0.8SS**  trans-64.1101.9145.45.30000109.5
273N49Very low42.7Very low149 Ų149139.9 Ų139.980%0.79778%0.776SS**  trans151.396.6136.9-77.6-8.6000111D271D271-N273 PolarHBondContact O-N 3.23Å
274R45.5Very low43.6Very low232 Ų232138.6 Ų138.688%0.87577%0.774SS**SBendtrans-15819.2160.1-121.7-171.1-144.2-153.28.3117.2
275F41.3Very low44.6Very low209 Ų209138.7 Ų138.792%0.91776%0.762SS**SBendtrans-139.325.4178.4-70-71.3000114.3
276S47.8Very low45.8Very low120 Ų120138 Ų13884%0.83975%0.746SS**  trans-128.669.9175.7-57.90000110.3
277D40.2Very low46.7Very low94 Ų94142.2 Ų142.250%0.50375%0.745SS.*  trans-168.6115.8134.2-142.6-29.4000110R279 D280D277-R279 PolarHBondContact O-N 3.12Å; D277-R279 WeakPolarHBondContact OD1-CB 3.27Å; D277-R279 PolarHBondContact OD1-N 2.78Å; D277-D280 HydrophobicContact CB-CB 4.41Å
278L45.8Very low47.6Very low188 Ų188144.3 Ų144.398%0.98474%0.744SS**THydrogen-bonded Turntrans-84.316168.9-88162.5000111.1
279R51Low49Very low214 Ų214143.2 Ų143.281%0.80873%0.732SS**THydrogen-bonded Turntrans-125.410.8177.4-57.9-174.6171.5-163.3-1.8113.8D277 D281D277-R279 PolarHBondContact O-N 3.12Å; D277-R279 WeakPolarHBondContact OD1-CB 3.27Å; D277-R279 PolarHBondContact OD1-N 2.78Å; R279-D281 PolarHBondContact O-N 3.05Å
280D44.8Very low49.4Very low93 Ų93139.6 Ų139.650%0.49772%0.717SS.*  trans-77.3106171.8-77.2-20000109.5D277 D282 S283D277-D280 HydrophobicContact CB-CB 4.41Å; D280-D282 PolarHBondContact O-N 3.01Å; D280-S283 WeakPolarHBondContact O-CB 3.48Å; D280-S283 PolarHBondContact O-N 3.35Å
281D53.6Low50.2Low148 Ų148139.7 Ų139.779%0.79172%0.718SS**THydrogen-bonded Turntrans-59.8-5173.1-73.9-38.3000113.3R279R279-D281 PolarHBondContact O-N 3.05Å
282D54.1Low51.1Low157 Ų157141.8 Ų141.884%0.8472%0.72SS**THydrogen-bonded Turntrans-91.51174.6-68.1-35.4000113.8D280 L284D280-D282 PolarHBondContact O-N 3.01Å; D282-L284 PolarHBondContact O-N 3.17Å
283S53.1Low51.3Low62 Ų62149.6 Ų149.643%0.43474%0.739SS.*  trans-69.6130.8178.8-160.80000111.9D280 F285 S286D280-S283 WeakPolarHBondContact O-CB 3.48Å; D280-S283 PolarHBondContact O-N 3.35Å; S283-F285 PolarHBondContact O-N 3.44Å; S283-S286 PolarHBondContact O-N 3.38Å
284L57.7Low51.4Low138 Ų138149.6 Ų149.672%0.72374%0.736SS**Hα-helixtrans-51.3-26.3178.2-75.9165.5000113.3D282 R287 F288D282-L284 PolarHBondContact O-N 3.17Å; L284-R287 PolarHBondContact O-N 3.04Å; L284-F288 PolarHBondContact O-N 3.47Å
285F53.7Low51.8Low151 Ų151145.3 Ų145.366%0.66273%0.729SS**Hα-helixtrans-64.1-44.1177-118.9-92.2000112.7S283 R287 F288 F289S283-F285 PolarHBondContact O-N 3.44Å; F285-R287 VanDerWaalsContact C-N 3.26Å; F285-R287 PolarHBondContact O-N 3.42Å; F285-F288 PolarHBondContact O-N 2.89Å; F285-F289 AromaticContact CD1-CD2 3.81Å; F285-F289 HydrophobicContact CD1-CD2 3.81Å; F285-F289 HydrophobicContact CD1-CE2 4.2Å; F285-F289 HydrophobicContact CE1-CD2 4.01Å; F285-F289 HydrophobicContact CE1-CE2 4.03Å; F285-F289 HydrophobicContact CZ-CE2 4.49Å; F285-F289 WeakPolarHBondContact O-CD2 3.45Å; F285-F289 PolarHBondContact O-N 3.32Å; F285-F289 VanDerWaalsContact O-N 3.09Å
286S57.6Low52.3Low53 Ų53141.7 Ų141.737%0.37172%0.719SS.*Hα-helixtrans-67.7-29.7179.9-55.30000112S283 G290S283-S286 PolarHBondContact O-N 3.38Å; S286-G290 PolarHBondContact O-N 3.21Å
287R57.3Low52.6Low223 Ų223143 Ų14384%0.84271%0.712SS**Hα-helixtrans-70.4-30.2177.4-126.6173.4167.9158.5-3.5113.5L284 F285L284-R287 PolarHBondContact O-N 3.04Å; F285-R287 VanDerWaalsContact C-N 3.26Å; F285-R287 PolarHBondContact O-N 3.42Å
288F54.9Low53.4Low174 Ų174146.1 Ų146.176%0.76373%0.725SS**Hα-helixtrans-93.3-35.1-177.7-111.2-86000113.3L284 F285L284-F288 PolarHBondContact O-N 3.47Å; F285-F288 PolarHBondContact O-N 2.89Å
289F65.6Low53.9Low139 Ų139143.3 Ų143.361%0.6171%0.707SS**Hα-helixtrans-107.4-11.1-169.9-66.2-74.2000114.3F285F285-F289 AromaticContact CD1-CD2 3.81Å; F285-F289 HydrophobicContact CD1-CD2 3.81Å; F285-F289 HydrophobicContact CD1-CE2 4.2Å; F285-F289 HydrophobicContact CE1-CD2 4.01Å; F285-F289 HydrophobicContact CE1-CE2 4.03Å; F285-F289 HydrophobicContact CZ-CE2 4.49Å; F285-F289 WeakPolarHBondContact O-CD2 3.45Å; F285-F289 PolarHBondContact O-N 3.32Å; F285-F289 VanDerWaalsContact O-N 3.09Å
290G49.6Very low54.1Low47 Ų47138.2 Ų138.249%0.48570%0.7SS.*  trans63.5112-174.500000109.9S286 F292S286-G290 PolarHBondContact O-N 3.21Å; G290-F292 PolarHBondContact O-N 3.35Å; G290-F292 VanDerWaalsContact O-N 3.11Å
291G54.4Low54.8Low65 Ų65141.7 Ų141.767%0.6772%0.716SS**  trans-48.1123.3-177.400000111.9K293G291-K293 PolarHBondContact O-N 3.39Å
292F54Low54.9Low208 Ų208141.2 Ų141.291%0.91271%0.71SS**  trans-66119.6169.6-80-89.1000107.7G290G290-F292 PolarHBondContact O-N 3.35Å; G290-F292 VanDerWaalsContact O-N 3.11Å
293K47.2Very low55Low277 Ų277139.7 Ų139.7100%1.20470%0.698SS**  trans-96.10-179.4-157.2-179.5-178.4-178.20110.8G291G291-K293 PolarHBondContact O-N 3.39Å

Retrieved 293 of 293 residues in 227.3 ms (Link to these results)