A0A087XHH6_POEFO Loading...

Transmembrane protein 106C

AlphaFold DB , UniProt , Accession A0A087XHH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 280 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
1M41.9Very low34Very low249 Ų249149.5 Ų149.5100%1.22783%0.828SS**  086.10-67.8170.5171.400106
2G35.1Very low33.8Very low63 Ų63150.8 Ų150.865%0.64983%0.831SS**  92.486.782.400000108
3T31.1Very low35.1Very low139 Ų139147.2 Ų147.285%0.85382%0.819SS**  57.6135.398.360.60000112.6
4R31.8Very low34.6Very low220 Ų220148.9 Ų148.983%0.8383%0.825SS**  cis-178.2131.931.6-134.6174.8-176.7-174.50.9104
5W32.2Very low34.8Very low239 Ų239149.4 Ų149.491%0.90582%0.824SS**  48.712573.1-89.130.8000116.8
6S34.7Very low35.3Very low96 Ų96146.3 Ų146.367%0.67181%0.813SS**  trans135142.2141.3-69.90000111.9
7R36.8Very low34.9Very low224 Ų224149.1 Ų149.185%0.84582%0.819SS**  cis-173.6147.812.9-125.6179175.6-163.2-2.6110.9
8S33.9Very low34.6Very low112 Ų112147.6 Ų147.678%0.78382%0.815SS**  76138.4125.4-1530000119.7
9G29.9Very low34.5Very low70 Ų70150.1 Ų150.172%0.72282%0.816SS**  cis-1561642800000118.6
10S34.5Very low34.7Very low114 Ų114147.7 Ų147.780%0.79781%0.809SS**  trans-56.6156.216950.30000114.4
11S32Very low34.5Very low118 Ų118149.6 Ų149.683%0.82581%0.812SS**  -158.8143.677.439.70000115.3
12L31.6Very low34Very low166 Ų166141.3 Ų141.387%0.86979%0.79SS**  trans-93.3-173.1169.1-86.2169.1000110.4
13P50.9Low33.7Very low103 Ų103150.3 Ų150.367%0.66981%0.805SS**  cis-137.3178.2-21.424.3-0.5000114.4
14L28.8Very low33.8Very low172 Ų172152.1 Ų152.190%0.90181%0.808SS**  -174.5141.9118.7-92.9168.2000112.3
15L36.6Very low33.8Very low156 Ų156146.3 Ų146.382%0.81781%0.807SS**  trans-74.6-170.9-168.8-85.8161.2000115.4
16P42.7Very low33.7Very low99 Ų99138.7 Ų138.764%0.64380%0.803SS**  -136.1175.5-73.839.8-20.3000113.1
17E28.3Very low33.6Very low195 Ų195143.6 Ų143.691%0.91182%0.815SS**  trans-151.9155.8144-125.5-157.8130.300113.2
18T29.3Very low33.5Very low122 Ų122143.7 Ų143.775%0.74882%0.815SS**  trans-118.3137-142-49.30000110.2
19K33.2Very low33.6Very low194 Ų194145.9 Ų145.984%0.84381%0.813SS**  trans-81163.3161.7-123.5-172.1175.31770108.6
20P39.7Very low34.1Very low102 Ų102148.6 Ų148.666%0.66282%0.818SS**  cis-156.4-173.33638.3-12.2000118
21E29.1Very low34.2Very low188 Ų188149.7 Ų149.788%0.87982%0.815SS**  trans52.7127.8143.6-82.8-177.3122.300124.9
22G31.1Very low34.7Very low75 Ų75150.6 Ų150.677%0.77381%0.811SS**  70110.2117.600000119.6
23R29.6Very low35.3Very low253 Ų253149.9 Ų149.996%0.95581%0.808SS**  trans-144.1125.8158.3-84-169-173.3-177.52.2113.1
24L32.8Very low34.9Very low177 Ų177149.7 Ų149.793%0.92781%0.809SS**  trans-131.6147.5149.9-161.781.1000108
25A31.8Very low35.9Very low98 Ų98149.5 Ų149.581%0.8181%0.808SS**  trans92.698.416500000119.4
26G31.3Very low36.4Very low79 Ų79147.9 Ų147.981%0.81480%0.8SS**  94.7113.7110.400000119.4
27H31Very low36.7Very low198 Ų198146.5 Ų146.592%0.91780%0.804SS**  trans-154.3149.3138.5-149.126.5000112.8
28R35Very low37.6Very low226 Ų226143.4 Ų143.485%0.85379%0.793SS**  trans-84.1164.3-168.6-99.3171.5160.9139.5-6.9113.2
29E36Very low38.5Very low159 Ų159144.8 Ų144.874%0.74380%0.795SS**  trans-45.6167.8179.3-64.5171.3118.900117.6
30P41.6Very low39.2Very low127 Ų127147 Ų14783%0.82580%0.798SS**  -132.1164.5100.838.8-29000114.9
31D36.3Very low39.6Very low137 Ų137152 Ų15273%0.73380%0.804SS**  trans-70.5165.6-164.2-54-73.5000117.1
32N42Very low40.6Very low137 Ų137151.2 Ų151.273%0.73380%0.801SS**  trans89.196147.4-159.835.5000117.2
33D43.3Very low41.6Very low151 Ų151155.4 Ų155.481%0.80781%0.805SS**  -153.2113.1128.3-89.2-34.4000109.8L35D33-L35 PolarHBondContact O-N 2.89Å; D33-L35 VanDerWaalsContact O-N 3.15Å
34S44.2Very low42.8Very low99 Ų99149.6 Ų149.669%0.69279%0.792SS**  trans-49.4108.4170169.80000111.4
35L49.8Very low43.9Very low167 Ų167144.2 Ų144.287%0.87477%0.773SS**  trans-108.558163.1-73.3168.7000109.3D33 G37D33-L35 PolarHBondContact O-N 2.89Å; D33-L35 VanDerWaalsContact O-N 3.15Å; L35-G37 PolarHBondContact O-N 3.28Å
36D46.7Very low44.8Very low122 Ų122148.4 Ų148.465%0.65278%0.775SS**  trans-61.699.1149.7-107.2-15.9000106.2L38D36-L38 HydrophobicContact CB-CD1 4.47Å; D36-L38 HydrophobicContact CB-CG 4.33Å; D36-L38 PolarHBondContact O-N 3.22Å
37G47.6Very low45.6Very low70 Ų70152.9 Ų152.972%0.72277%0.773SS**  trans-68.942.6172.200000112.3L35 D39L35-G37 PolarHBondContact O-N 3.28Å; G37-D39 VanDerWaalsContact C-N 3.3Å
38L47.7Very low46.6Very low131 Ų131148.5 Ų148.569%0.68676%0.762SS**  trans-88.14.8177.2-70-177.3000113.1D36D36-L38 HydrophobicContact CB-CD1 4.47Å; D36-L38 HydrophobicContact CB-CG 4.33Å; D36-L38 PolarHBondContact O-N 3.22Å
39D48.6Very low47.3Very low150 Ų150146 Ų14680%0.80275%0.754SS**SBendtrans-118.721.4-176.1-136.317.2000114.1G37G37-D39 VanDerWaalsContact C-N 3.3Å
40R48.7Very low48.3Very low241 Ų241143.3 Ų143.391%0.90975%0.748SS**SBendtrans-129.432.2172.6-146175.1179.5154.61113.1
41R48.2Very low49.1Very low206 Ų206143.1 Ų143.178%0.77774%0.736SS**  trans-107.98.2-179.3-162.1163.6177.5166.9-0.7113.9
42E49.2Very low49.9Very low173 Ų173145.7 Ų145.781%0.80874%0.741SS**SBendtrans-103.2-4.2-174.7-61.2-173161.100114.5
43D51.3Low50.7Low162 Ų162144.3 Ų144.387%0.86674%0.738SS**  trans-111.322.4179.6-72.3-17.7000114.7A45D43-A45 PolarHBondContact O-N 3Å
44I56.3Low51.1Low132 Ų132139.1 Ų139.168%0.67772%0.72SS**  trans-84.6100.2166.2-58.5171.2000106.9Q46I44-Q46 PolarHBondContact O-N 3.29Å
45A55.1Low51.7Low64 Ų64146.6 Ų146.653%0.52973%0.733SS.*  trans-48.5108.2169.100000109.3D43 F47D43-A45 PolarHBondContact O-N 3Å; A45-F47 VanDerWaalsContact C-N 3.27Å; A45-F47 HydrophobicContact CB-CD2 4.22Å; A45-F47 HydrophobicContact CB-CE2 3.66Å; A45-F47 HydrophobicContact CB-CZ 4Å; A45-F47 VanDerWaalsContact O-CD2 3.29Å; A45-F47 WeakPolarHBondContact O-CD2 3.49Å; A45-F47 PolarHBondContact O-N 2.81Å
46Q51.4Low52Low185 Ų185146.2 Ų146.286%0.86473%0.732SS**  trans-77.184.2179.9-169.9132.7-10.200108.1I44 P48I44-Q46 PolarHBondContact O-N 3.29Å; Q46-P48 WeakPolarHBondContact O-CD 3.29Å
47F46.8Very low52.8Low173 Ų173143.7 Ų143.776%0.75972%0.724SS**  trans-66.3124.5169.3-65.7-76.9000108A45 Y49A45-F47 VanDerWaalsContact C-N 3.27Å; A45-F47 HydrophobicContact CB-CD2 4.22Å; A45-F47 HydrophobicContact CB-CE2 3.66Å; A45-F47 HydrophobicContact CB-CZ 4Å; A45-F47 VanDerWaalsContact O-CD2 3.29Å; A45-F47 WeakPolarHBondContact O-CD2 3.49Å; A45-F47 PolarHBondContact O-N 2.81Å; F47-Y49 PolarHBondContact O-N 2.76Å; F47-Y49 VanDerWaalsContact O-N 3.1Å
48P51.9Low53.5Low106 Ų106148.2 Ų148.269%0.68873%0.73SS**  trans-60.3120.3174.321.9-28.3000108.1Q46 V50Q46-P48 WeakPolarHBondContact O-CD 3.29Å; P48-V50 PolarHBondContact O-N 2.96Å; P48-V50 VanDerWaalsContact O-N 3.12Å
49Y49.8Very low54.2Low173 Ų173146.4 Ų146.468%0.67872%0.724SS**  trans-61.3114.6167.5179.4-106.7000107.5F47 E51F47-Y49 PolarHBondContact O-N 2.76Å; F47-Y49 VanDerWaalsContact O-N 3.1Å; Y49-E51 HydrophobicContact CD1-CG 3.93Å; Y49-E51 HydrophobicContact CE1-CG 3.25Å; Y49-E51 WeakPolarHBondContact CE1-OE1 3.43Å
50V57.8Low54.5Low103 Ų103142.3 Ų142.362%0.62471%0.707SS**  trans-107.3113175.9-90.90000108.4P48 F52P48-V50 PolarHBondContact O-N 2.96Å; P48-V50 VanDerWaalsContact O-N 3.12Å; V50-F52 PolarHBondContact O-N 2.86Å; V50-F52 VanDerWaalsContact O-N 3.12Å
51E59.4Low55.2Low123 Ų123136.1 Ų136.158%0.57570%0.698SS**  trans-73.298.6170.4-68.1179.3177.200108.7Y49 T53Y49-E51 HydrophobicContact CD1-CG 3.93Å; Y49-E51 HydrophobicContact CE1-CG 3.25Å; Y49-E51 WeakPolarHBondContact CE1-OE1 3.43Å; E51-T53 VanDerWaalsContact C-N 3.26Å; E51-T53 PolarHBondContact O-N 3.46Å
52F52.6Low55.8Low191 Ų191130.4 Ų130.484%0.83869%0.686SS**  trans-77.680.1165.3-99.6-91.5000108.6V50 G54V50-F52 PolarHBondContact O-N 2.86Å; V50-F52 VanDerWaalsContact O-N 3.12Å; F52-G54 PolarHBondContact O-N 3.47Å
53T57.5Low56.4Low109 Ų109123.5 Ų123.567%0.66966%0.657SS**  trans-72.982.2166.857.50000108.5E51E51-T53 VanDerWaalsContact C-N 3.26Å; E51-T53 PolarHBondContact O-N 3.46Å
54G53.5Low57.1Low42 Ų42123.1 Ų123.143%0.43365%0.65SS.*  trans-62.7144.7166.100000109.6F52 D56 S57F52-G54 PolarHBondContact O-N 3.47Å; G54-D56 PolarHBondContact O-N 3.06Å; G54-S57 PolarHBondContact O-N 2.83Å; G54-S57 PolarHBondContact O-OG 3.12Å
55R56.7Low57.7Low256 Ų256118.5 Ų118.597%0.96663%0.634SS**THydrogen-bonded Turntrans-56.9-6.6-171.9-78.2-176.7-175.4176.41.7116.2
56D56.2Low58.2Low158 Ų158119.8 Ų119.885%0.84564%0.636SS**THydrogen-bonded Turntrans-128.223.1177.8-59.2-45.6000113.7G54 I58G54-D56 PolarHBondContact O-N 3.06Å; D56-I58 PolarHBondContact O-N 3.39Å
57S62Low58.7Low69 Ų69114 Ų11448%0.48363%0.626SS.*  trans-76.8108.2177.4650000111.2G54 T59G54-S57 PolarHBondContact O-N 2.83Å; G54-S57 PolarHBondContact O-OG 3.12Å; S57-T59 PolarHBondContact O-N 3.42Å
58I63Low59.3Low165 Ų165115.7 Ų115.785%0.84663%0.627SS**PPolyproline II helixtrans-69.4117169.9-64.2162.7000108.1D56 C60D56-I58 PolarHBondContact O-N 3.39Å; I58-C60 PolarHBondContact O-N 3.29Å
59T63.1Low59.7Low94 Ų94116.6 Ų116.658%0.57763%0.625SS**PPolyproline II helixtrans-64.3128.8176.749.70000110.1S57S57-T59 PolarHBondContact O-N 3.42Å
60C54Low60.1Low64 Ų64112.4 Ų112.443%0.43262%0.619SS.*PPolyproline II helixtrans-60.4122.5176.7-174.60000109.4I58 T62 C63 Q64I58-C60 PolarHBondContact O-N 3.29Å; C60-T62 PolarHBondContact O-N 3.1Å; C60-T62 VanDerWaalsContact O-N 3.12Å; C60-C63 PolarHBondContact O-N 3.06Å; C60-Q64 VanDerWaalsContact O-CA 3.29Å; C60-Q64 WeakPolarHBondContact O-CA 3.24Å; C60-Q64 PolarHBondContact O-N 3.12Å
61P63.1Low60.1Low110 Ų110111.2 Ų111.271%0.71462%0.615SS**THydrogen-bonded Turntrans-63.8-22.8-172.424-33.5000113
62T61.9Low59.9Low86 Ų86111.1 Ų111.153%0.52862%0.623SS.*THydrogen-bonded Turntrans-81.8-33.1-175.3-39.70000113.8C60C60-T62 PolarHBondContact O-N 3.1Å; C60-T62 VanDerWaalsContact O-N 3.12Å
63C62Low60Low29 Ų29110.9 Ų110.920%0.19662%0.624CS.*THydrogen-bonded Turntrans-118.1-1179.9630000113.3C60 G65 T66C60-C63 PolarHBondContact O-N 3.06Å; C63-G65 PolarHBondContact O-N 3.25Å; C63-T66 PolarHBondContact O-N 2.97Å; C63-T66 PolarHBondContact O-OG1 3.12Å
64Q65.3Low59.8Low154 Ų154111.5 Ų111.572%0.7262%0.62SS**THydrogen-bonded Turntrans47.429.2-178.4-60.3-175.68.500113.8C60 T66C60-Q64 VanDerWaalsContact O-CA 3.29Å; C60-Q64 WeakPolarHBondContact O-CA 3.24Å; C60-Q64 PolarHBondContact O-N 3.12Å; Q64-T66 VanDerWaalsContact C-N 3.32Å; Q64-T66 PolarHBondContact O-N 3.43Å
65G67.7Low59.7Low35 Ų35113.3 Ų113.336%0.36162%0.622SS.*THydrogen-bonded Turntrans81.8-3-177.800000115.8C63 G67C63-G65 PolarHBondContact O-N 3.25Å; G65-G67 PolarHBondContact O-N 2.91Å
66T65.9Low59.3Low91 Ų91109.3 Ų109.356%0.55862%0.62SS**SBendtrans-85.4-4.2-175.365.70000114.8C63 Q64 R68C63-T66 PolarHBondContact O-N 2.97Å; C63-T66 PolarHBondContact O-OG1 3.12Å; Q64-T66 VanDerWaalsContact C-N 3.32Å; Q64-T66 PolarHBondContact O-N 3.43Å; T66-R68 PolarHBondContact O-N 3.23Å; T66-R68 PolarHBondContact OG1-O 3.3Å
67G62.8Low59.1Low64 Ų64109.1 Ų109.166%0.6661%0.614SS**SBendtrans651.4-177.900000115.1G65G65-G67 PolarHBondContact O-N 2.91Å
68R59.4Low58.6Low208 Ų208111.1 Ų111.179%0.78562%0.619SS**SBendtrans-121.4130.9175.6-63.7-170179.4-170.81.1109.3T66 P70T66-R68 PolarHBondContact O-N 3.23Å; T66-R68 PolarHBondContact OG1-O 3.3Å; R68-P70 WeakPolarHBondContact O-CD 3.47Å
69I60Low57.9Low124 Ų124109.4 Ų109.464%0.63662%0.616SS**  trans-85.7116.7176-58160.9000106.2S71I69-S71 PolarHBondContact O-N 3.4Å
70P58.9Low57.7Low85 Ų85109 Ų10955%0.55262%0.622SS**  trans-63.7112.3-179.422.8-30000109.8R68 V72R68-P70 WeakPolarHBondContact O-CD 3.47Å; P70-V72 PolarHBondContact O-N 2.98Å
71S56.8Low57.7Low78 Ų78114.3 Ų114.355%0.54565%0.645SS.*  trans-80.98.3-177.352.80000114I69 V75I69-S71 PolarHBondContact O-N 3.4Å; S71-V75 VanDerWaalsContact O-CG2 3.24Å; S71-V75 WeakPolarHBondContact O-CG2 3.11Å
72V55.9Low57.3Low122 Ų122114.1 Ų114.174%0.73964%0.637SS**SBendtrans-90.3-23.6-162-176.80000113P70P70-V72 PolarHBondContact O-N 2.98Å
73E53.8Low56.7Low185 Ų185113 Ų11386%0.86463%0.631SS**SBendtrans-134.3-5.8-177.8-83.5154.4-173.800115.3
74Q54.4Low56Low122 Ų122123.2 Ų123.257%0.5767%0.667SS**SBendtrans-131.29.5-171.5-86.1164.6-14.100116E77 L78Q74-E77 PolarHBondContact O-N 2.86Å; Q74-L78 HydrophobicContact CB-CD1 4.13Å; Q74-L78 WeakPolarHBondContact O-CD1 3.44Å; Q74-L78 PolarHBondContact O-N 3.06Å
75V51.4Low55.4Low81 Ų81121 Ų12149%0.49167%0.669SS.*G310 helixtrans-77.9-21.6177.1-76.20000114.1S71 E77 L78S71-V75 VanDerWaalsContact O-CG2 3.24Å; S71-V75 WeakPolarHBondContact O-CG2 3.11Å; V75-E77 PolarHBondContact O-N 3.32Å; V75-L78 PolarHBondContact O-N 3.21Å
76N48.6Very low54.9Low172 Ų172122.1 Ų122.192%0.9267%0.667SS**G310 helixtrans-73.4-4.5171.3-72.2-10.8000112.7
77E50.6Low54.3Low154 Ų154125.5 Ų125.572%0.7268%0.676SS**G310 helixtrans-124.314.1178.9-154.4-177.1163.900112.1Q74 V75Q74-E77 PolarHBondContact O-N 2.86Å; V75-E77 PolarHBondContact O-N 3.32Å
78L51.2Low53.9Low110 Ų110133.3 Ų133.358%0.57669%0.685SS**  trans-13668.1173.3-79102000111.1Q74 V75Q74-L78 HydrophobicContact CB-CD1 4.13Å; Q74-L78 WeakPolarHBondContact O-CD1 3.44Å; Q74-L78 PolarHBondContact O-N 3.06Å; V75-L78 PolarHBondContact O-N 3.21Å
79V48.4Very low53.6Low130 Ų130129 Ų12979%0.78868%0.677SS**SBendtrans-111107.9150.7177.70000105.7L81V79-L81 PolarHBondContact O-N 2.94Å
80A59Low53.3Low85 Ų85128.2 Ų128.270%0.70267%0.671SS**THydrogen-bonded Turntrans40.274.1171.500000116.2I82A80-I82 PolarHBondContact O-N 2.87Å
81L55.4Low53.5Low175 Ų175127.1 Ų127.192%0.91666%0.664SS**THydrogen-bonded Turntrans2729154.2-73.8169.3000120.6V79V79-L81 PolarHBondContact O-N 2.94Å
82I53.4Low53.8Low106 Ų106129.7 Ų129.754%0.54467%0.667SS.*  trans-123.396.9169.3-55.4174.9000104.6A80 Y84 L89A80-I82 PolarHBondContact O-N 2.87Å; I82-Y84 PolarHBondContact O-N 2.89Å; I82-L89 HydrophobicContact CG2-CD1 4.12Å; I82-L89 HydrophobicContact CG2-CD2 4.15Å
83P48.6Very low54.6Low62 Ų62132.7 Ų132.740%0.40367%0.665SS.*  trans-55.2135.2177.920.3-28.6000109.1S85 D86P83-S85 PolarHBondContact O-N 2.61Å; P83-D86 HydrophobicContact CG-CB 4Å; P83-D86 WeakPolarHBondContact O-CB 3.35Å; P83-D86 PolarHBondContact O-N 3.47Å
84Y48.7Very low55.8Low244 Ų244127.3 Ų127.396%0.95765%0.645SS**THydrogen-bonded Turntrans-59.1-18.2178-155.3-90.9000112.1I82I82-Y84 PolarHBondContact O-N 2.89Å
85S53Low57Low108 Ų108127.6 Ų127.676%0.75565%0.645SS**THydrogen-bonded Turntrans-99.522.517663.10000114.1P83 Q87P83-S85 PolarHBondContact O-N 2.61Å; S85-Q87 PolarHBondContact O-N 3.42Å
86D57.2Low58.7Low59 Ų59128.5 Ų128.532%0.31665%0.646SS.*  trans-68.5115.8178-144.6-19000110.3P83 R88 L89P83-D86 HydrophobicContact CG-CB 4Å; P83-D86 WeakPolarHBondContact O-CB 3.35Å; P83-D86 PolarHBondContact O-N 3.47Å; D86-R88 PolarHBondContact O-N 3.47Å; D86-L89 HydrophobicContact CB-CB 4.5Å; D86-L89 WeakPolarHBondContact O-CB 3.29Å; D86-L89 PolarHBondContact O-N 3.17Å
87Q52.8Low60.6Low161 Ų161127.3 Ų127.375%0.75263%0.63SS**THydrogen-bonded Turntrans-65.7-14.1-175-152.8167.713.200112.3S85S85-Q87 PolarHBondContact O-N 3.42Å
88R54Low62.5Low228 Ų228124 Ų12486%0.8662%0.62SS**THydrogen-bonded Turntrans-73.3-27.5168.4-67.7-16380.2-160.64.7113.7D86 Q90D86-R88 PolarHBondContact O-N 3.47Å; R88-Q90 VanDerWaalsContact C-N 3.33Å
89L53.2Low64.4Low118 Ų118123.2 Ų123.262%0.61862%0.619SS**SBendtrans-83.7-8.2178.1-106.673.5000113.3I82 D86 P91I82-L89 HydrophobicContact CG2-CD1 4.12Å; I82-L89 HydrophobicContact CG2-CD2 4.15Å; D86-L89 HydrophobicContact CB-CB 4.5Å; D86-L89 WeakPolarHBondContact O-CB 3.29Å; D86-L89 PolarHBondContact O-N 3.17Å; L89-P91 WeakPolarHBondContact O-CD 3.06Å
90Q54.3Low66.6Low107 Ų107121.6 Ų121.650%0.561%0.606SS.*  trans-111.674.4-179.2-157.1-179.579.400110.5R88 Q92R88-Q90 VanDerWaalsContact C-N 3.33Å; Q90-Q92 PolarHBondContact O-N 3.09Å
91P62.3Low68.3Low62 Ų62120.9 Ų120.940%0.40360%0.595SS.*  trans-79.894.9-173.838.8-40000108.3L89 R93 T94 K95L89-P91 WeakPolarHBondContact O-CD 3.06Å; P91-R93 PolarHBondContact O-N 3.33Å; P91-T94 WeakPolarHBondContact CB-OG1 3.04Å; P91-T94 WeakPolarHBondContact CG-OG1 2.99Å; P91-T94 PolarHBondContact O-N 3.47Å; P91-T94 VanDerWaalsContact O-N 3.09Å; P91-T94 PolarHBondContact O-OG1 3.43Å; P91-K95 PolarHBondContact O-N 3.07Å
92Q63.5Low70.3Confident133 Ų133116.2 Ų116.262%0.62157%0.574SS**Hα-helixtrans-57.8-31.2-179.4-64.7-173.6-6.300111.8Q90 L96Q90-Q92 PolarHBondContact O-N 3.09Å; Q92-L96 PolarHBondContact O-N 3.44Å
93R72.8Confident72.4Confident184 Ų184114.3 Ų114.369%0.69457%0.568SS**Hα-helixtrans-69.8-39.1176.5-61.3-66.6-178.6176.9-1.6112.4P91 K95 L96 Y97P91-R93 PolarHBondContact O-N 3.33Å; R93-K95 PolarHBondContact O-N 3.26Å; R93-L96 WeakPolarHBondContact O-CB 2.95Å; R93-L96 PolarHBondContact O-N 2.93Å; R93-Y97 HydrophobicContact CB-CD2 4.36Å; R93-Y97 HydrophobicContact CB-CE2 3.94Å; R93-Y97 WeakPolarHBondContact O-CD2 3.48Å; R93-Y97 PolarHBondContact O-N 3.18Å
94T78.7Confident74.7Confident72 Ų72115.4 Ų115.444%0.44257%0.573SS.*Hα-helixtrans-68.4-34.2179.2-16.30000112.2P91 L96 Y97 V98P91-T94 WeakPolarHBondContact CB-OG1 3.04Å; P91-T94 WeakPolarHBondContact CG-OG1 2.99Å; P91-T94 PolarHBondContact O-N 3.47Å; P91-T94 VanDerWaalsContact O-N 3.09Å; P91-T94 PolarHBondContact O-OG1 3.43Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.31Å; T94-Y97 PolarHBondContact O-N 2.95Å; T94-V98 WeakPolarHBondContact O-CB 3.3Å; T94-V98 VanDerWaalsContact O-CG2 3.23Å; T94-V98 WeakPolarHBondContact O-CG2 3.29Å; T94-V98 PolarHBondContact O-N 3.28Å
95K81Confident77Confident129 Ų129107.9 Ų107.956%0.56156%0.555SS**Hα-helixtrans-59-44.7170.7-66.1-175.5-179.7-178.60111.3P91 R93 V98 V99P91-K95 PolarHBondContact O-N 3.07Å; R93-K95 PolarHBondContact O-N 3.26Å; K95-V98 PolarHBondContact O-N 3.07Å; K95-V99 VanDerWaalsContact O-CG2 3.3Å; K95-V99 WeakPolarHBondContact O-CG2 3.45Å; K95-V99 PolarHBondContact O-N 3.03Å
96L85.7Confident79.1Confident99 Ų99107.3 Ų107.352%0.51854%0.543SS..Hα-helixtrans-64.6-42.6176.2-178136.7000112.2Q92 R93 T94 V99 L100Q92-L96 PolarHBondContact O-N 3.44Å; R93-L96 WeakPolarHBondContact O-CB 2.95Å; R93-L96 PolarHBondContact O-N 2.93Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.31Å; L96-V99 PolarHBondContact O-N 3.37Å; L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 PolarHBondContact O-N 2.89Å
97Y88.6Confident80.9Confident148 Ų148109.2 Ų109.258%0.5855%0.553SS**Hα-helixtrans-63.7-39.8176.1-69.1-62.3000112.8R93 T94 L100 S101R93-Y97 HydrophobicContact CB-CD2 4.36Å; R93-Y97 HydrophobicContact CB-CE2 3.94Å; R93-Y97 WeakPolarHBondContact O-CD2 3.48Å; R93-Y97 PolarHBondContact O-N 3.18Å; T94-Y97 PolarHBondContact O-N 2.95Å; Y97-L100 PolarHBondContact O-N 2.91Å; Y97-S101 WeakPolarHBondContact O-CB 3.32Å; Y97-S101 PolarHBondContact O-N 2.85Å; Y97-S101 PolarHBondContact O-OG 3.44Å
98V91.3Very high83Confident84 Ų84103.9 Ų103.951%0.50954%0.536SS..Hα-helixtrans-67.7-43.7176.5172.50000111T94 K95 S101 V102T94-V98 WeakPolarHBondContact O-CB 3.3Å; T94-V98 VanDerWaalsContact O-CG2 3.23Å; T94-V98 WeakPolarHBondContact O-CG2 3.29Å; T94-V98 PolarHBondContact O-N 3.28Å; K95-V98 PolarHBondContact O-N 3.07Å; V98-S101 PolarHBondContact O-N 2.94Å; V98-S101 PolarHBondContact O-OG 3.42Å; V98-V102 VanDerWaalsContact O-CG2 3.29Å; V98-V102 WeakPolarHBondContact O-CG2 3.23Å; V98-V102 PolarHBondContact O-N 2.87Å
99V91.6Very high85.1Confident93 Ų9396 Ų9656%0.56452%0.515SS*.Hα-helixtrans-64.1-43.7175.8171.70000110.7K95 L96 S101 V102 V103K95-V99 VanDerWaalsContact O-CG2 3.3Å; K95-V99 WeakPolarHBondContact O-CG2 3.45Å; K95-V99 PolarHBondContact O-N 3.03Å; L96-V99 PolarHBondContact O-N 3.37Å; V99-S101 VanDerWaalsContact C-N 3.33Å; V99-S101 PolarHBondContact O-N 3.43Å; V99-V102 PolarHBondContact O-N 2.9Å; V99-V103 HydrophobicContact CG1-CG2 4.41Å; V99-V103 VanDerWaalsContact O-CG2 3.32Å; V99-V103 WeakPolarHBondContact O-CG2 3.33Å; V99-V103 PolarHBondContact O-N 3.31Å
100L93.8Very high87.1Confident96 Ų9695.4 Ų95.450%0.50351%0.512SS..Hα-helixtrans-61.2-42.4177.4-175.267.5000111.4L96 Y97 V103 V104L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 PolarHBondContact O-N 2.89Å; Y97-L100 PolarHBondContact O-N 2.91Å; L100-V103 PolarHBondContact O-N 2.89Å; L100-V104 WeakPolarHBondContact O-CB 3.29Å; L100-V104 VanDerWaalsContact O-CG2 3.29Å; L100-V104 WeakPolarHBondContact O-CG2 3.21Å; L100-V104 PolarHBondContact O-N 3.5Å
101S95.1Very high89Confident70 Ų7094.8 Ų94.849%0.4951%0.512SS..Hα-helixtrans-65.2-40.9178.272.20000111.9Y97 V98 V99 V104 C105Y97-S101 WeakPolarHBondContact O-CB 3.32Å; Y97-S101 PolarHBondContact O-N 2.85Å; Y97-S101 PolarHBondContact O-OG 3.44Å; V98-S101 PolarHBondContact O-N 2.94Å; V98-S101 PolarHBondContact O-OG 3.42Å; V99-S101 VanDerWaalsContact C-N 3.33Å; V99-S101 PolarHBondContact O-N 3.43Å; S101-V104 PolarHBondContact O-N 3.33Å; S101-C105 VanDerWaalsContact O-CB 3.31Å; S101-C105 WeakPolarHBondContact O-CB 3.4Å; S101-C105 PolarHBondContact O-N 3.31Å
102V96.8Very high90.5Very high78 Ų7895.9 Ų95.947%0.47352%0.517SS..Hα-helixtrans-61.4-46.2174.1172.30000110.8V98 V99 C105 L106V98-V102 VanDerWaalsContact O-CG2 3.29Å; V98-V102 WeakPolarHBondContact O-CG2 3.23Å; V98-V102 PolarHBondContact O-N 2.87Å; V99-V102 PolarHBondContact O-N 2.9Å; V102-C105 PolarHBondContact O-N 3.43Å; V102-L106 HydrophobicContact CG1-CD1 4.11Å; V102-L106 HydrophobicContact CG1-CG 4.44Å; V102-L106 WeakPolarHBondContact O-CG 3.5Å; V102-L106 PolarHBondContact O-N 2.79Å
103V96.8Very high91.8Very high66 Ų6692.2 Ų92.240%0.451%0.509SS..Hα-helixtrans-62.1-46178.41710000111.4V99 L100 C105 L106 L107V99-V103 HydrophobicContact CG1-CG2 4.41Å; V99-V103 VanDerWaalsContact O-CG2 3.32Å; V99-V103 WeakPolarHBondContact O-CG2 3.33Å; V99-V103 PolarHBondContact O-N 3.31Å; L100-V103 PolarHBondContact O-N 2.89Å; V103-C105 VanDerWaalsContact C-N 3.32Å; V103-C105 PolarHBondContact O-N 3.43Å; V103-L106 PolarHBondContact O-N 3.4Å; V103-L107 HydrophobicContact CG1-CD1 3.97Å; V103-L107 HydrophobicContact CG1-CG 4.37Å; V103-L107 WeakPolarHBondContact O-CB 3.37Å; V103-L107 VanDerWaalsContact O-CG 3.3Å; V103-L107 WeakPolarHBondContact O-CG 3.46Å; V103-L107 PolarHBondContact O-N 3.28Å
104V96.9Very high92.6Very high85 Ų8588.4 Ų88.452%0.51550%0.498SS..Hα-helixtrans-62-41.3177.6170.80000111.2L100 S101 L107 A108L100-V104 WeakPolarHBondContact O-CB 3.29Å; L100-V104 VanDerWaalsContact O-CG2 3.29Å; L100-V104 WeakPolarHBondContact O-CG2 3.21Å; L100-V104 PolarHBondContact O-N 3.5Å; S101-V104 PolarHBondContact O-N 3.33Å; V104-L107 PolarHBondContact O-N 3.44Å; V104-A108 WeakPolarHBondContact O-CB 3.5Å; V104-A108 PolarHBondContact O-N 2.9Å
105C96.8Very high93.1Very high86 Ų8689.5 Ų89.558%0.58150%0.497SS*.Hα-helixtrans-62.8-45.3176.1-172.70000111.7S101 V102 V103 L107 A108 S109S101-C105 VanDerWaalsContact O-CB 3.31Å; S101-C105 WeakPolarHBondContact O-CB 3.4Å; S101-C105 PolarHBondContact O-N 3.31Å; V102-C105 PolarHBondContact O-N 3.43Å; V103-C105 VanDerWaalsContact C-N 3.32Å; V103-C105 PolarHBondContact O-N 3.43Å; C105-L107 PolarHBondContact O-N 2.93Å; C105-A108 PolarHBondContact O-N 3.44Å; C105-S109 WeakPolarHBondContact O-CB 3.31Å; C105-S109 PolarHBondContact O-N 3.48Å; C105-S109 PolarHBondContact O-OG 2.7Å
106L97.1Very high93.5Very high96 Ų9687.7 Ų87.750%0.50349%0.493SS..Hα-helixtrans-60.6-47.1175.8-72175000111.3V102 V103 A108 S109 I110V102-L106 HydrophobicContact CG1-CD1 4.11Å; V102-L106 HydrophobicContact CG1-CG 4.44Å; V102-L106 WeakPolarHBondContact O-CG 3.5Å; V102-L106 PolarHBondContact O-N 2.79Å; V103-L106 PolarHBondContact O-N 3.4Å; L106-A108 PolarHBondContact O-N 2.89Å; L106-S109 WeakPolarHBondContact CA-OG 3.3Å; L106-S109 PolarHBondContact O-N 3.5Å; L106-S109 PolarHBondContact O-OG 2.79Å; L106-I110 VanDerWaalsContact O-CG1 3.29Å; L106-I110 WeakPolarHBondContact O-CG1 3.31Å; L106-I110 PolarHBondContact O-N 3.4Å
107L96.9Very high93.6Very high99 Ų9990.4 Ų90.452%0.51850%0.501SS..Hα-helixtrans-59.9-45177-70.8173.2000111.8V103 V104 C105 S109 I110 L111V103-L107 HydrophobicContact CG1-CD1 3.97Å; V103-L107 HydrophobicContact CG1-CG 4.37Å; V103-L107 WeakPolarHBondContact O-CB 3.37Å; V103-L107 VanDerWaalsContact O-CG 3.3Å; V103-L107 WeakPolarHBondContact O-CG 3.46Å; V103-L107 PolarHBondContact O-N 3.28Å; V104-L107 PolarHBondContact O-N 3.44Å; C105-L107 PolarHBondContact O-N 2.93Å; L107-S109 VanDerWaalsContact C-N 3.34Å; L107-S109 PolarHBondContact O-N 2.9Å; L107-I110 PolarHBondContact O-N 3.32Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.29Å; L107-L111 PolarHBondContact O-N 2.92Å
108A96.6Very high93.5Very high49 Ų4985.2 Ų85.241%0.40549%0.485SS..Hα-helixtrans-60.7-43.5175.900000111.6V104 C105 L106 I110 L111 V112V104-A108 WeakPolarHBondContact O-CB 3.5Å; V104-A108 PolarHBondContact O-N 2.9Å; C105-A108 PolarHBondContact O-N 3.44Å; L106-A108 PolarHBondContact O-N 2.89Å; A108-I110 PolarHBondContact O-N 2.93Å; A108-L111 PolarHBondContact O-N 2.94Å; A108-V112 VanDerWaalsContact O-CG2 3.31Å; A108-V112 WeakPolarHBondContact O-CG2 3.29Å; A108-V112 PolarHBondContact O-N 2.98Å
109S96.8Very high93.5Very high61 Ų6186 Ų8643%0.42748%0.479SS..Hα-helixtrans-64-40.7178740000112.6C105 L106 L107 V112 A113C105-S109 WeakPolarHBondContact O-CB 3.31Å; C105-S109 PolarHBondContact O-N 3.48Å; C105-S109 PolarHBondContact O-OG 2.7Å; L106-S109 WeakPolarHBondContact CA-OG 3.3Å; L106-S109 PolarHBondContact O-N 3.5Å; L106-S109 PolarHBondContact O-OG 2.79Å; L107-S109 VanDerWaalsContact C-N 3.34Å; L107-S109 PolarHBondContact O-N 2.9Å; S109-V112 PolarHBondContact O-N 3.21Å; S109-A113 WeakPolarHBondContact O-CB 3.46Å; S109-A113 PolarHBondContact O-N 3.44Å
110I95.5Very high93.3Very high106 Ų10685.5 Ų85.554%0.54448%0.479SS..Hα-helixtrans-66.3-41.2176.8-68.2165.6000110.4L106 L107 A108 A113 F114L106-I110 VanDerWaalsContact O-CG1 3.29Å; L106-I110 WeakPolarHBondContact O-CG1 3.31Å; L106-I110 PolarHBondContact O-N 3.4Å; L107-I110 PolarHBondContact O-N 3.32Å; A108-I110 PolarHBondContact O-N 2.93Å; I110-A113 PolarHBondContact O-N 3.49Å; I110-F114 VanDerWaalsContact O-CB 3.29Å; I110-F114 WeakPolarHBondContact O-CB 3.42Å; I110-F114 PolarHBondContact O-N 3.34Å
111L94.3Very high93.3Very high95 Ų9581.2 Ų81.250%0.49746%0.457SS..Hα-helixtrans-61.5-49.9175.8-76.1163.2000111L107 A108 A113 F114 F115L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.29Å; L107-L111 PolarHBondContact O-N 2.92Å; A108-L111 PolarHBondContact O-N 2.94Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 3.47Å; L111-F114 PolarHBondContact O-N 3.32Å; L111-F114 VanDerWaalsContact O-N 3.15Å; L111-F115 HydrophobicContact CB-CE2 4.39Å; L111-F115 HydrophobicContact CD2-CE2 4.11Å; L111-F115 WeakPolarHBondContact O-CD2 3.47Å; L111-F115 PolarHBondContact O-N 3.26Å
112V93.1Very high93.2Very high85 Ų8581.3 Ų81.352%0.51546%0.455SS..Hα-helixtrans-58.4-45.5177.4172.10000110.6A108 S109 F115 L116A108-V112 VanDerWaalsContact O-CG2 3.31Å; A108-V112 WeakPolarHBondContact O-CG2 3.29Å; A108-V112 PolarHBondContact O-N 2.98Å; S109-V112 PolarHBondContact O-N 3.21Å; V112-F115 PolarHBondContact O-N 2.8Å; V112-L116 HydrophobicContact CG1-CD1 3.73Å; V112-L116 HydrophobicContact CG1-CG 4.46Å; V112-L116 WeakPolarHBondContact O-CB 3.33Å; V112-L116 WeakPolarHBondContact O-CG 3.12Å; V112-L116 PolarHBondContact O-N 3.31Å
113A91.1Very high93.1Very high55 Ų5578.4 Ų78.446%0.45544%0.437SS..Hα-helixtrans-60.1-47.4175.100000111.3S109 I110 L111 F115 L116 F117S109-A113 WeakPolarHBondContact O-CB 3.46Å; S109-A113 PolarHBondContact O-N 3.44Å; I110-A113 PolarHBondContact O-N 3.49Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 3.47Å; A113-F115 VanDerWaalsContact C-N 3.34Å; A113-F115 PolarHBondContact O-N 3.15Å; A113-L116 PolarHBondContact O-N 3.02Å; A113-F117 WeakPolarHBondContact O-CA 3.03Å; A113-F117 WeakPolarHBondContact O-CB 3.36Å; A113-F117 PolarHBondContact O-N 2.88Å
114F90.6Very high93Very high105 Ų10578.9 Ų78.946%0.46144%0.44SS..Hα-helixtrans-59.8-39.8-179.8177.2-95.9000113.4I110 L111 R119 F157I110-F114 VanDerWaalsContact O-CB 3.29Å; I110-F114 WeakPolarHBondContact O-CB 3.42Å; I110-F114 PolarHBondContact O-N 3.34Å; L111-F114 PolarHBondContact O-N 3.32Å; L111-F114 VanDerWaalsContact O-N 3.15Å; F114-R119 VanDerWaalsContact CZ-NH2 3.31Å; F114-F157 HydrophobicContact CE1-CE2 4.08Å; F114-F157 HydrophobicContact CE1-CZ 4.32Å
115F89.8Confident92.8Very high95 Ų9576.6 Ų76.642%0.41743%0.425SS..Hα-helixtrans-76-34.8178.9-71.9-64.5000113.3L111 V112 A113 F157L111-F115 HydrophobicContact CB-CE2 4.39Å; L111-F115 HydrophobicContact CD2-CE2 4.11Å; L111-F115 WeakPolarHBondContact O-CD2 3.47Å; L111-F115 PolarHBondContact O-N 3.26Å; V112-F115 PolarHBondContact O-N 2.8Å; A113-F115 VanDerWaalsContact C-N 3.34Å; A113-F115 PolarHBondContact O-N 3.15Å; F115-F157 HydrophobicContact CD1-CB 4.43Å; F115-F157 HydrophobicContact CD1-CD1 4.14Å; F115-F157 AromaticContact CD1-CD2 3.78Å; F115-F157 HydrophobicContact CD1-CD2 3.78Å; F115-F157 HydrophobicContact CD1-CE1 4.31Å; F115-F157 AromaticContact CD1-CE2 3.98Å; F115-F157 HydrophobicContact CD1-CE2 3.98Å; F115-F157 AromaticContact CD1-CG 3.86Å; F115-F157 HydrophobicContact CD1-CG 3.86Å; F115-F157 HydrophobicContact CD1-CZ 4.25Å; F115-F157 HydrophobicContact CE1-CD1 4.29Å; F115-F157 HydrophobicContact CE1-CD2 4.46Å; F115-F157 HydrophobicContact CE1-CE1 4.12Å; F115-F157 HydrophobicContact CE1-CE2 4.31Å; F115-F157 HydrophobicContact CE1-CG 4.45Å; F115-F157 HydrophobicContact CE1-CZ 4.14Å
116L87.5Confident92.5Very high91 Ų9175.5 Ų75.548%0.47642%0.422SS..Hα-helixtrans-94-15.8-176.5-64.6179.7000113.8V112 A113 P118V112-L116 HydrophobicContact CG1-CD1 3.73Å; V112-L116 HydrophobicContact CG1-CG 4.46Å; V112-L116 WeakPolarHBondContact O-CB 3.33Å; V112-L116 WeakPolarHBondContact O-CG 3.12Å; V112-L116 PolarHBondContact O-N 3.31Å; A113-L116 PolarHBondContact O-N 3.02Å; L116-P118 VanDerWaalsContact O-CD 3.29Å; L116-P118 WeakPolarHBondContact O-CD 3.29Å; L116-P118 VanDerWaalsContact O-N 3.17Å
117F88.8Confident92.1Very high155 Ų15571.9 Ų71.968%0.6841%0.408SS*.SBendtrans-67.4116.2-179.7-160.4-96.4000109.5A113 R119A113-F117 WeakPolarHBondContact O-CA 3.03Å; A113-F117 WeakPolarHBondContact O-CB 3.36Å; A113-F117 PolarHBondContact O-N 2.88Å; F117-R119 PolarHBondContact O-N 3.35Å
118P87Confident91.9Very high39 Ų3968.6 Ų68.625%0.25339%0.391SS..PPolyproline II helixtrans-72121.7-169.828.1-33.9000110.5L116 F158 Y236L116-P118 VanDerWaalsContact O-CD 3.29Å; L116-P118 WeakPolarHBondContact O-CD 3.29Å; L116-P118 VanDerWaalsContact O-N 3.17Å; P118-F158 HydrophobicContact CB-CZ 4.06Å; P118-Y236 HydrophobicContact CB-CD2 4.13Å; P118-Y236 HydrophobicContact CB-CE2 3.38Å; P118-Y236 HydrophobicContact CG-CE2 4.01Å
119R89.8Confident91.7Very high100 Ų10070.8 Ų70.838%0.37739%0.389SS..PPolyproline II helixtrans-86.2145.1167.9-61-178.7-178.4179.4-1.2109.3F114 F117 V121 P155 N156F114-R119 VanDerWaalsContact CZ-NH2 3.31Å; F117-R119 PolarHBondContact O-N 3.35Å; R119-V121 PolarHBondContact O-N 3.15Å; R119-P155 HydrophobicContact CB-CG 3.93Å; R119-N156 WeakPolarHBondContact CA-OD1 3.47Å; R119-N156 WeakPolarHBondContact CB-OD1 3.46Å; R119-N156 PolarHBondContact N-OD1 3.12Å; R119-N156 PolarHBondContact O-ND2 2.99Å; R119-N156 PolarHBondContact O-OD1 3.43Å
120S88.9Confident91.6Very high83 Ų8369 Ų6958%0.5838%0.376SS*.PPolyproline II helixtrans-63.8131.3176.753.50000110.9V122 P155S120-V122 PolarHBondContact O-N 2.76Å; S120-P155 WeakPolarHBondContact O-CG 3.48Å
121V92.8Very high91.6Very high6 Ų664 Ų644%0.03635%0.351CS..PPolyproline II helixtrans-67.6129.3170.1178.30000108.6R119 V123 S153 V160 I187 N243R119-V121 PolarHBondContact O-N 3.15Å; V121-V123 HydrophobicContact CG1-CG2 4.5Å; V121-S153 WeakPolarHBondContact CG1-O 3.42Å; V121-V160 HydrophobicContact CG2-CB 4.32Å; V121-V160 HydrophobicContact CG2-CG1 4Å; V121-V160 HydrophobicContact CG2-CG2 4.02Å; V121-I187 HydrophobicContact CG1-CD1 4.1Å; V121-N243 PolarHBondContact O-ND2 2.93Å; V121-N243 VanDerWaalsContact O-ND2 3.14Å
122V93.6Very high91.6Very high72 Ų7262.8 Ų62.844%0.43635%0.347SS..EExtended strand (participates in β ladder)trans-86.2125.5178.3-1770000107.9S120 V124 S153S120-V122 PolarHBondContact O-N 2.76Å; V122-V124 HydrophobicContact CG1-CG2 4.01Å; V122-S153 PolarHBondContact N-O 3.4Å; V122-S153 PolarHBondContact O-N 2.89Å
123V94.9Very high91.7Very high17 Ų1759.5 Ų59.510%0.10333%0.327CS..EExtended strand (participates in β ladder)trans-118.2126.5176.9-168.20000107.5V121 L150 F152 V232 N243 L245V121-V123 HydrophobicContact CG1-CG2 4.5Å; V123-L150 HydrophobicContact CG1-CD2 4.21Å; V123-F152 HydrophobicContact CB-CD1 4.44Å; V123-F152 HydrophobicContact CB-CE1 4.5Å; V123-F152 HydrophobicContact CG1-CD1 3.95Å; V123-F152 HydrophobicContact CG1-CE1 3.66Å; V123-F152 HydrophobicContact CG1-CZ 4.42Å; V123-F152 HydrophobicContact CG2-CD1 3.92Å; V123-F152 HydrophobicContact CG2-CE1 4.07Å; V123-V232 HydrophobicContact CG1-CG2 4.01Å; V123-N243 HydrophobicContact CG2-CB 4.47Å; V123-L245 HydrophobicContact CB-CD1 4.11Å; V123-L245 HydrophobicContact CG1-CD1 3.58Å
124V93.9Very high91.9Very high77 Ų7762.9 Ų62.947%0.46733%0.333SS..EExtended strand (participates in β ladder)trans-126.5132.6179.8-176.50000108.4V122 A126 N151V122-V124 HydrophobicContact CG1-CG2 4.01Å; V124-A126 PolarHBondContact O-N 3.44Å; V124-N151 PolarHBondContact N-O 2.82Å; V124-N151 PolarHBondContact O-N 2.89Å
125D92.6Very high92.1Very high36 Ų3660 Ų6019%0.19332%0.321CS..EExtended strand (participates in β ladder)trans-74.7118.3168.8-163.8-17.6000109.3G127 S148 M228 H249D125-G127 WeakPolarHBondContact OD1-CA 3.34Å; D125-G127 PolarHBondContact OD1-N 3.07Å; D125-S148 PolarHBondContact OD1-OG 3.49Å; D125-M228 WeakPolarHBondContact OD2-CE 3.34Å; D125-H249 IonicContact OD2-NE2 3.32Å
126A90.6Very high92.2Very high64 Ų6457.2 Ų57.253%0.52931%0.31SS..EExtended strand (participates in β ladder)trans-86.12.8176.200000112.1V124 T149V124-A126 PolarHBondContact O-N 3.44Å; A126-T149 HydrophobicContact CB-CG2 4.02Å; A126-T149 WeakPolarHBondContact CB-O 3.34Å; A126-T149 PolarHBondContact N-O 3.47Å
127G89.4Confident92.4Very high20 Ų2059 Ų5921%0.20632%0.316CS..EExtended strand (participates in β ladder)trans90.7-171.3173.600000114.3D125 S148 T149D125-G127 WeakPolarHBondContact OD1-CA 3.34Å; D125-G127 PolarHBondContact OD1-N 3.07Å; G127-S148 WeakPolarHBondContact O-CA 3.38Å; G127-S148 PolarHBondContact O-OG 2.96Å; G127-T149 PolarHBondContact O-N 2.86Å
128I91.9Very high92.6Very high29 Ų2957.6 Ų57.615%0.14932%0.32CS..EExtended strand (participates in β ladder)trans-86.2122.7-177.8-47.7-177.4000109.9V131 M146 H249 I251I128-V131 HydrophobicContact CG2-CG2 3.67Å; I128-M146 HydrophobicContact CD1-CE 3.39Å; I128-M146 HydrophobicContact CD1-SD 4.27Å; I128-M146 HydrophobicContact CG1-CE 3.61Å; I128-M146 HydrophobicContact CG2-CG 4.08Å; I128-H249 HydrophobicContact CD1-CB 3.53Å; I128-H249 HydrophobicContact CG1-CB 4.49Å; I128-I251 HydrophobicContact CD1-CD1 4.32Å; I128-I251 HydrophobicContact CD1-CG1 4.13Å
129R92.3Very high92.8Very high95 Ų9560.4 Ų60.436%0.35833%0.333SS..EExtended strand (participates in β ladder)trans-85.7-38.6174.6-68.6-166.1691554.1112.7T147 T149 H259R129-T147 PolarHBondContact N-O 3.46Å; R129-T149 WeakPolarHBondContact CD-OG1 3.32Å; R129-T149 WeakPolarHBondContact CG-OG1 3.44Å; R129-H259 PolarHBondContact O-N 2.99Å; R129-H259 VanDerWaalsContact O-O 3.1Å
130S94.4Very high92.9Very high23 Ų2361.9 Ų61.916%0.16134%0.342CS..EExtended strand (participates in β ladder)trans-157.5147.6-179.963.40000112T147 T257S130-T147 PolarHBondContact N-O 3.43Å; S130-T147 PolarHBondContact O-N 2.87Å; S130-T147 WeakPolarHBondContact OG-CB 3.24Å; S130-T147 PolarHBondContact OG-OG1 3.32Å; S130-T257 CarbonylContact C-O 3.51Å; S130-T257 VanDerWaalsContact CA-O 3.22Å; S130-T257 WeakPolarHBondContact CA-O 3.31Å
131V95.3Very high93.1Very high2 Ų260.3 Ų60.31%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-126.7118.9167.1-171.50000108.7I128 V133 M144 N145 M146 I251 N256 T257I128-V131 HydrophobicContact CG2-CG2 3.67Å; V131-V133 HydrophobicContact CG1-CG2 4.31Å; V131-M144 HydrophobicContact CG1-CB 4.12Å; V131-M144 HydrophobicContact CG1-CG 4.41Å; V131-N145 WeakPolarHBondContact CA-O 3.38Å; V131-M146 HydrophobicContact CG2-CG 4.32Å; V131-I251 HydrophobicContact CB-CG2 4.3Å; V131-I251 HydrophobicContact CG1-CG2 3.82Å; V131-I251 HydrophobicContact CG2-CG2 4.1Å; V131-N256 WeakPolarHBondContact O-CA 3.4Å; V131-T257 WeakPolarHBondContact CB-OG1 3.49Å; V131-T257 PolarHBondContact N-O 2.91Å; V131-T257 PolarHBondContact O-N 2.83Å
132T95.4Very high93.2Very high70 Ų7060 Ų6043%0.42932%0.323SS..EExtended strand (participates in β ladder)trans-100.3124.4171.4-52.80000108.6M144 N145T132-M144 CarbonylContact O-C 3.56Å; T132-M144 VanDerWaalsContact O-CA 3.24Å; T132-M144 WeakPolarHBondContact O-CA 3.38Å; T132-N145 PolarHBondContact N-O 2.94Å; T132-N145 PolarHBondContact O-N 3.21Å
133V95Very high93.3Very high16 Ų1659.3 Ų59.310%0.09732%0.317CS..EExtended strand (participates in β ladder)trans-105136.8-178.6-172.80000110V131 F135 V142 L143 M144 C253 S255 N256V131-V133 HydrophobicContact CG1-CG2 4.31Å; V133-F135 HydrophobicContact CG1-CD1 4.46Å; V133-F135 HydrophobicContact CG1-CE1 3.85Å; V133-F135 HydrophobicContact CG1-CE2 4.23Å; V133-F135 HydrophobicContact CG1-CZ 3.73Å; V133-V142 HydrophobicContact CG1-CG1 3.88Å; V133-L143 CarbonylContact C-O 3.55Å; V133-M144 HydrophobicContact CB-CG 4.44Å; V133-M144 HydrophobicContact CG1-CG 4.19Å; V133-M144 HydrophobicContact CG2-CG 4.11Å; V133-C253 WeakPolarHBondContact CG1-O 3.25Å; V133-S255 WeakPolarHBondContact CG2-O 3.21Å; V133-N256 PolarHBondContact N-OD1 2.7Å; V133-N256 PolarHBondContact O-OD1 3.08Å
134H94.9Very high93.3Very high125 Ų12558.7 Ų58.758%0.57931%0.313SS*.EExtended strand (participates in β ladder)trans-134.4138.4172.3-172.265.8000110.2L143H134-L143 HydrophobicContact CB-CB 4.28Å; H134-L143 PolarHBondContact N-O 2.9Å; H134-L143 PolarHBondContact O-N 2.99Å; H134-L143 VanDerWaalsContact O-O 3.11Å
135F94.4Very high93.5Very high46 Ų4658.6 Ų58.620%0.20231%0.309CS..EExtended strand (participates in β ladder)trans-106.2119.7-178.2-61-66.1000110.2V133 H137 V142 Y211 C214 T215 C253V133-F135 HydrophobicContact CG1-CD1 4.46Å; V133-F135 HydrophobicContact CG1-CE1 3.85Å; V133-F135 HydrophobicContact CG1-CE2 4.23Å; V133-F135 HydrophobicContact CG1-CZ 3.73Å; F135-H137 PolarHBondContact O-N 3.25Å; F135-V142 HydrophobicContact CD1-CG1 4.22Å; F135-V142 HydrophobicContact CD1-CG2 4.12Å; F135-V142 HydrophobicContact CE1-CG1 3.97Å; F135-V142 HydrophobicContact CE1-CG2 4.15Å; F135-Y211 HydrophobicContact CB-CE2 4.24Å; F135-C214 HydrophobicContact CE1-CB 3.72Å; F135-C214 HydrophobicContact CZ-CB 4.26Å; F135-T215 HydrophobicContact CD1-CG2 3.77Å; F135-T215 HydrophobicContact CD2-CG2 4.46Å; F135-T215 HydrophobicContact CE1-CG2 3.92Å; F135-T215 HydrophobicContact CG-CG2 4.06Å; F135-T215 HydrophobicContact CZ-CG2 4.3Å; F135-C253 WeakPolarHBondContact CE1-O 3.34Å; F135-C253 WeakPolarHBondContact CZ-O 3.19Å
136D93.5Very high93.6Very high35 Ų3557 Ų5719%0.18730%0.301CS..EExtended strand (participates in β ladder)trans-87.896.9167.7-178.3-6.1000108.7T138 N139 K140 K141 L143D136-T138 PolarHBondContact O-N 2.75Å; D136-T138 WeakPolarHBondContact OD1-CA 3.15Å; D136-T138 VanDerWaalsContact OD1-CB 3.31Å; D136-T138 WeakPolarHBondContact OD1-CB 3.38Å; D136-T138 PolarHBondContact OD1-N 2.9Å; D136-N139 PolarHBondContact OD1-N 3.02Å; D136-N139 VanDerWaalsContact OD1-N 3.15Å; D136-N139 WeakPolarHBondContact OD2-CB 3.22Å; D136-N139 PolarHBondContact OD2-ND2 3.37Å; D136-K140 VanDerWaalsContact O-CA 3.25Å; D136-K140 WeakPolarHBondContact O-CA 3.38Å; D136-K140 PolarHBondContact O-N 2.87Å; D136-K141 HydrophobicContact CB-CB 4.25Å; D136-K141 PolarHBondContact N-O 3.09Å; D136-K141 PolarHBondContact O-N 2.91Å; D136-L143 HydrophobicContact CB-CD1 4.27Å
137H91.9Very high93.8Very high129 Ų12955.3 Ų55.360%0.59728%0.284SS*.THydrogen-bonded Turntrans-65.7-24.5178.6-61.8-66.8000113.1F135 Y211F135-H137 PolarHBondContact O-N 3.25Å; H137-Y211 AromaticContact ND1-CZ 3.89Å; H137-Y211 PolarHBondContact ND1-OH 2.84Å
138T91.9Very high94Very high126 Ų12654.4 Ų54.477%0.77327%0.274SS*.THydrogen-bonded Turntrans-74.8-50.8-176.9-49.50000110.2D136D136-T138 PolarHBondContact O-N 2.75Å; D136-T138 WeakPolarHBondContact OD1-CA 3.15Å; D136-T138 VanDerWaalsContact OD1-CB 3.31Å; D136-T138 WeakPolarHBondContact OD1-CB 3.38Å; D136-T138 PolarHBondContact OD1-N 2.9Å
139N91.5Very high94.1Very high98 Ų9853.2 Ų53.252%0.52427%0.269SS..THydrogen-bonded Turntrans-93.50-178.3-61-64.9000113.3D136 K141D136-N139 PolarHBondContact OD1-N 3.02Å; D136-N139 VanDerWaalsContact OD1-N 3.15Å; D136-N139 WeakPolarHBondContact OD2-CB 3.22Å; D136-N139 PolarHBondContact OD2-ND2 3.37Å; N139-K141 HydrophobicContact CB-CD 3.89Å; N139-K141 HydrophobicContact CB-CG 3.86Å; N139-K141 WeakPolarHBondContact O-CG 3.39Å
140K91.5Very high94.2Very high131 Ų13148.7 Ų48.757%0.5725%0.251SS*.THydrogen-bonded Turntrans53.450.8-174.6-57.7179.3-177.8177.30111.7D136 Y211D136-K140 VanDerWaalsContact O-CA 3.25Å; D136-K140 WeakPolarHBondContact O-CA 3.38Å; D136-K140 PolarHBondContact O-N 2.87Å; K140-Y211 VanDerWaalsContact C-CD2 3.49Å; K140-Y211 HydrophobicContact CB-CD1 3.83Å; K140-Y211 HydrophobicContact CB-CD2 4.46Å; K140-Y211 HydrophobicContact CB-CE1 4.19Å; K140-Y211 HydrophobicContact CB-CG 3.99Å; K140-Y211 HydrophobicContact CG-CD1 4.28Å; K140-Y211 HydrophobicContact CG-CE1 4.21Å; K140-Y211 WeakPolarHBondContact O-CB 3.42Å
141K94Very high94.3Very high49 Ų4949.9 Ų49.921%0.21326%0.256CS..EExtended strand (participates in β ladder)trans-118.5150.5-179.1-57.8-179.7176.11790111.2D136 N139 E202D136-K141 HydrophobicContact CB-CB 4.25Å; D136-K141 PolarHBondContact N-O 3.09Å; D136-K141 PolarHBondContact O-N 2.91Å; N139-K141 HydrophobicContact CB-CD 3.89Å; N139-K141 HydrophobicContact CB-CG 3.86Å; N139-K141 WeakPolarHBondContact O-CG 3.39Å; K141-E202 HydrophobicContact CD-CG 4.2Å; K141-E202 WeakPolarHBondContact CD-OE1 3.43Å; K141-E202 WeakPolarHBondContact CE-OE1 3.33Å; K141-E202 IonicContact NZ-OE1 2.68Å; K141-E202 PolarHBondContact NZ-OE1 2.85Å
142V94.8Very high94.3Very high0 Ų049.8 Ų49.80%026%0.255CS..EExtended strand (participates in β ladder)trans-105.7119.4171.8-171.80000107.6V133 F135 M144 I203 V210 Y211 C214 C253V133-V142 HydrophobicContact CG1-CG1 3.88Å; F135-V142 HydrophobicContact CD1-CG1 4.22Å; F135-V142 HydrophobicContact CD1-CG2 4.12Å; F135-V142 HydrophobicContact CE1-CG1 3.97Å; F135-V142 HydrophobicContact CE1-CG2 4.15Å; V142-M144 HydrophobicContact CG1-CE 4.11Å; V142-M144 HydrophobicContact CG1-CG 4.03Å; V142-M144 HydrophobicContact CG1-SD 4.19Å; V142-I203 PolarHBondContact N-O 2.78Å; V142-I203 PolarHBondContact O-N 3.33Å; V142-V210 HydrophobicContact CG2-CG1 4.35Å; V142-Y211 HydrophobicContact CG2-CD2 4.3Å; V142-C214 HydrophobicContact CG2-CB 4.12Å; V142-C253 HydrophobicContact CG1-CB 4.48Å
143L95.4Very high94.3Very high57 Ų5747.8 Ų47.830%0.29825%0.245SC..EExtended strand (participates in β ladder)trans-106.1127.1178.2-63.8166.9000107.9V133 H134 D136 V201 E202V133-L143 CarbonylContact C-O 3.55Å; H134-L143 HydrophobicContact CB-CB 4.28Å; H134-L143 PolarHBondContact N-O 2.9Å; H134-L143 PolarHBondContact O-N 2.99Å; H134-L143 VanDerWaalsContact O-O 3.11Å; D136-L143 HydrophobicContact CB-CD1 4.27Å; L143-V201 CarbonylContact C-O 3.55Å; L143-V201 WeakPolarHBondContact CA-O 3.45Å; L143-E202 HydrophobicContact CD2-CB 3.92Å; L143-E202 HydrophobicContact CD2-CG 3.72Å
144M95.4Very high94.3Very high5 Ų547.1 Ų47.13%0.02524%0.24CC..EExtended strand (participates in β ladder)trans-131134.3-178.1-64.6172-79.100110.2V131 T132 V133 V142 S200 V201 I203 I224 I251 C253V131-M144 HydrophobicContact CG1-CB 4.12Å; V131-M144 HydrophobicContact CG1-CG 4.41Å; T132-M144 CarbonylContact O-C 3.56Å; T132-M144 VanDerWaalsContact O-CA 3.24Å; T132-M144 WeakPolarHBondContact O-CA 3.38Å; V133-M144 HydrophobicContact CB-CG 4.44Å; V133-M144 HydrophobicContact CG1-CG 4.19Å; V133-M144 HydrophobicContact CG2-CG 4.11Å; V142-M144 HydrophobicContact CG1-CE 4.11Å; V142-M144 HydrophobicContact CG1-CG 4.03Å; V142-M144 HydrophobicContact CG1-SD 4.19Å; M144-S200 CarbonylContact O-C 3.6Å; M144-S200 WeakPolarHBondContact O-CA 3.38Å; M144-V201 HydrophobicContact CB-CB 4.22Å; M144-V201 HydrophobicContact CE-CG1 3.93Å; M144-V201 PolarHBondContact N-O 2.83Å; M144-V201 PolarHBondContact O-N 3.43Å; M144-I203 HydrophobicContact CE-CD1 3.49Å; M144-I203 VanDerWaalsContact CE-CD1 3.49Å; M144-I203 HydrophobicContact CE-CG1 3.85Å; M144-I224 HydrophobicContact CE-CD1 3.88Å; M144-I224 HydrophobicContact SD-CD1 4.26Å; M144-I251 HydrophobicContact SD-CG2 4.21Å; M144-C253 HydrophobicContact SD-CB 4.15Å
145N96.3Very high94.3Very high74 Ų7442.9 Ų42.940%0.39622%0.224SC..EExtended strand (participates in β ladder)trans-105.7108.6169.1-75.2-30.3000108.4V131 T132 T198 S200V131-N145 WeakPolarHBondContact CA-O 3.38Å; T132-N145 PolarHBondContact N-O 2.94Å; T132-N145 PolarHBondContact O-N 3.21Å; N145-T198 HydrophobicContact CB-CG2 4.04Å; N145-S200 PolarHBondContact OD1-OG 3.24Å
146M94.6Very high94.2Very high3 Ų340.8 Ų40.82%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-103.9116.4-176177.3-179.4162.600109.2I128 V131 T198 V199 M228 I251I128-M146 HydrophobicContact CD1-CE 3.39Å; I128-M146 HydrophobicContact CD1-SD 4.27Å; I128-M146 HydrophobicContact CG1-CE 3.61Å; I128-M146 HydrophobicContact CG2-CG 4.08Å; V131-M146 HydrophobicContact CG2-CG 4.32Å; M146-T198 CarbonylContact O-C 3.58Å; M146-T198 VanDerWaalsContact O-CA 3.27Å; M146-T198 WeakPolarHBondContact O-CA 3.47Å; M146-V199 PolarHBondContact N-O 3.05Å; M146-V199 PolarHBondContact O-N 2.7Å; M146-M228 HydrophobicContact CE-SD 3.53Å; M146-M228 VanDerWaalsContact CE-SD 3.53Å; M146-I251 HydrophobicContact SD-CD1 3.76Å
147T95.2Very high94.2Very high28 Ų2843 Ų4317%0.17222%0.223CC..EExtended strand (participates in β ladder)trans-101.2119.2177-55.70000109.6R129 S130 Y197 T198R129-T147 PolarHBondContact N-O 3.46Å; S130-T147 PolarHBondContact N-O 3.43Å; S130-T147 PolarHBondContact O-N 2.87Å; S130-T147 WeakPolarHBondContact OG-CB 3.24Å; S130-T147 PolarHBondContact OG-OG1 3.32Å; T147-Y197 WeakPolarHBondContact CA-O 3.4Å; T147-T198 PolarHBondContact OG1-OG1 3.11Å
148S94Very high94.2Very high1 Ų138.4 Ų38.41%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-117159.1177.3167.20000110.7D125 G127 N196 Y197D125-S148 PolarHBondContact OD1-OG 3.49Å; G127-S148 WeakPolarHBondContact O-CA 3.38Å; G127-S148 PolarHBondContact O-OG 2.96Å; S148-N196 WeakPolarHBondContact O-CA 3.47Å; S148-Y197 PolarHBondContact N-O 3.07Å; S148-Y197 WeakPolarHBondContact O-CD1 3.21Å; S148-Y197 PolarHBondContact O-N 3.45Å; S148-Y197 PolarHBondContact OG-OH 3.32Å
149T94.4Very high94.3Very high4 Ų436.1 Ų36.13%0.02519%0.187CC..EExtended strand (participates in β ladder)trans-121.4127.8178.4-62.90000110.6A126 G127 R129 Q194 V195 N196A126-T149 HydrophobicContact CB-CG2 4.02Å; A126-T149 WeakPolarHBondContact CB-O 3.34Å; A126-T149 PolarHBondContact N-O 3.47Å; G127-T149 PolarHBondContact O-N 2.86Å; R129-T149 WeakPolarHBondContact CD-OG1 3.32Å; R129-T149 WeakPolarHBondContact CG-OG1 3.44Å; T149-Q194 HydrophobicContact CG2-CB 4.4Å; T149-V195 WeakPolarHBondContact CA-O 3.38Å; T149-N196 WeakPolarHBondContact CB-OD1 3.34Å; T149-N196 VanDerWaalsContact CG2-OD1 3.28Å; T149-N196 WeakPolarHBondContact CG2-OD1 3.45Å; T149-N196 PolarHBondContact OG1-OD1 2.96Å
150L95.1Very high94.4Very high0 Ų031.5 Ų31.50%016%0.163CC..EExtended strand (participates in β ladder)trans-100.5133.9168.7-70.2163000109.9V123 F152 V165 Q194 V195 Y197 T230 V232 L245V123-L150 HydrophobicContact CG1-CD2 4.21Å; L150-F152 HydrophobicContact CB-CD2 4.48Å; L150-F152 HydrophobicContact CB-CE2 3.66Å; L150-F152 HydrophobicContact CB-CZ 3.72Å; L150-F152 HydrophobicContact CD1-CZ 4.01Å; L150-F152 HydrophobicContact CG-CZ 4.47Å; L150-V165 HydrophobicContact CD1-CG1 3.59Å; L150-V165 HydrophobicContact CD1-CG2 4.44Å; L150-Q194 WeakPolarHBondContact O-CA 3.38Å; L150-V195 PolarHBondContact N-O 3.14Å; L150-V195 PolarHBondContact O-N 2.98Å; L150-Y197 HydrophobicContact CD1-CD1 4.18Å; L150-Y197 HydrophobicContact CD1-CE1 3.69Å; L150-Y197 HydrophobicContact CG-CD1 4.4Å; L150-Y197 HydrophobicContact CG-CE1 3.67Å; L150-T230 HydrophobicContact CD1-CG2 3.95Å; L150-T230 HydrophobicContact CD2-CG2 4.3Å; L150-V232 HydrophobicContact CD1-CG2 4.28Å; L150-L245 HydrophobicContact CD2-CD1 3.92Å
151N95.4Very high94.6Very high48 Ų4828 Ų2826%0.25715%0.15SC..EExtended strand (participates in β ladder)trans-105.9122.6172.3-167.83.8000109.7V124 S193 Q194V124-N151 PolarHBondContact N-O 2.82Å; V124-N151 PolarHBondContact O-N 2.89Å; N151-S193 PolarHBondContact OD1-O 2.83Å; N151-Q194 HydrophobicContact CB-CG 4.45Å
152F95.5Very high94.7Very high0 Ų025.7 Ų25.70%014%0.14CC..EExtended strand (participates in β ladder)trans-107134.4178.7-57.9-84.9000109.6V123 L150 V162 V165 I187 H192 S193 V195 V232V123-F152 HydrophobicContact CB-CD1 4.44Å; V123-F152 HydrophobicContact CB-CE1 4.5Å; V123-F152 HydrophobicContact CG1-CD1 3.95Å; V123-F152 HydrophobicContact CG1-CE1 3.66Å; V123-F152 HydrophobicContact CG1-CZ 4.42Å; V123-F152 HydrophobicContact CG2-CD1 3.92Å; V123-F152 HydrophobicContact CG2-CE1 4.07Å; L150-F152 HydrophobicContact CB-CD2 4.48Å; L150-F152 HydrophobicContact CB-CE2 3.66Å; L150-F152 HydrophobicContact CB-CZ 3.72Å; L150-F152 HydrophobicContact CD1-CZ 4.01Å; L150-F152 HydrophobicContact CG-CZ 4.47Å; F152-V162 HydrophobicContact CD1-CG2 4.45Å; F152-V162 HydrophobicContact CE1-CG2 4.45Å; F152-V165 HydrophobicContact CZ-CG2 4.29Å; F152-I187 HydrophobicContact CB-CD1 3.51Å; F152-I187 HydrophobicContact CB-CG1 4.22Å; F152-I187 HydrophobicContact CD1-CD1 4.28Å; F152-I187 HydrophobicContact CG-CD1 4.01Å; F152-H192 CarbonylContact O-C 3.56Å; F152-H192 VanDerWaalsContact O-CA 3.22Å; F152-H192 WeakPolarHBondContact O-CA 3.43Å; F152-S193 PolarHBondContact N-O 3.44Å; F152-S193 PolarHBondContact O-N 2.79Å; F152-V195 HydrophobicContact CD2-CG2 4.16Å; F152-V195 HydrophobicContact CE2-CB 3.9Å; F152-V195 HydrophobicContact CE2-CG2 3.65Å; F152-V232 HydrophobicContact CE1-CB 4.44Å; F152-V232 HydrophobicContact CE1-CG1 3.63Å; F152-V232 HydrophobicContact CE1-CG2 4.08Å; F152-V232 HydrophobicContact CZ-CG1 4.33Å; F152-V232 HydrophobicContact CZ-CG2 4.41Å
153S95.5Very high94.7Very high29 Ų2928.4 Ų28.420%0.20315%0.152CC..EExtended strand (participates in β ladder)trans-124.3124.7171.1-179.40000109.8V121 V122 P155 H192V121-S153 WeakPolarHBondContact CG1-O 3.42Å; V122-S153 PolarHBondContact N-O 3.4Å; V122-S153 PolarHBondContact O-N 2.89Å; S153-P155 VanDerWaalsContact O-CD 3.24Å; S153-P155 WeakPolarHBondContact O-CD 2.96Å; S153-H192 WeakPolarHBondContact CB-ND1 3.34Å; S153-H192 PolarHBondContact OG-CE1 2.79Å; S153-H192 PolarHBondContact OG-ND1 2.86Å
154N95.4Very high94.7Very high1 Ų126.8 Ų26.81%0.00515%0.146CC..  trans-104.7100.8179.1-178.922.8000110.7N156 F158 I187 Q188 L190 S191N154-N156 PolarHBondContact O-N 3.44Å; N154-N156 WeakPolarHBondContact OD1-CB 3.37Å; N154-N156 PolarHBondContact OD1-N 2.77Å; N154-N156 VanDerWaalsContact OD1-N 3.09Å; N154-N156 PolarHBondContact OD1-ND2 2.88Å; N154-F158 PolarHBondContact ND2-O 3.48Å; N154-I187 HydrophobicContact CB-CB 4.12Å; N154-I187 HydrophobicContact CB-CG2 3.45Å; N154-I187 VanDerWaalsContact CB-CG2 3.45Å; N154-Q188 PolarHBondContact ND2-O 2.92Å; N154-L190 CarbonylContact O-C 3.6Å; N154-L190 WeakPolarHBondContact O-CA 3.29Å; N154-L190 PolarHBondContact O-N 2.98Å; N154-S191 PolarHBondContact N-O 2.89Å; N154-S191 PolarHBondContact O-N 2.89Å
155P93.7Very high94.8Very high36 Ų3626.7 Ų26.723%0.23415%0.146CC..  trans-79.42.8175.933.2-36.4000113.6R119 S120 S153R119-P155 HydrophobicContact CB-CG 3.93Å; S120-P155 WeakPolarHBondContact O-CG 3.48Å; S153-P155 VanDerWaalsContact O-CD 3.24Å; S153-P155 WeakPolarHBondContact O-CD 2.96Å
156N93.6Very high94.8Very high3 Ų324.8 Ų24.82%0.01614%0.138CC..SBendtrans-83.6158.6179.9-61.8-78000112.2R119 N154 F158 P189 L190R119-N156 WeakPolarHBondContact CA-OD1 3.47Å; R119-N156 WeakPolarHBondContact CB-OD1 3.46Å; R119-N156 PolarHBondContact N-OD1 3.12Å; R119-N156 PolarHBondContact O-ND2 2.99Å; R119-N156 PolarHBondContact O-OD1 3.43Å; N154-N156 PolarHBondContact O-N 3.44Å; N154-N156 WeakPolarHBondContact OD1-CB 3.37Å; N154-N156 PolarHBondContact OD1-N 2.77Å; N154-N156 VanDerWaalsContact OD1-N 3.09Å; N154-N156 PolarHBondContact OD1-ND2 2.88Å; N156-F158 VanDerWaalsContact C-N 3.26Å; N156-F158 HydrophobicContact CB-CD1 4.11Å; N156-F158 HydrophobicContact CB-CD2 4.08Å; N156-F158 HydrophobicContact CB-CE1 3.86Å; N156-F158 HydrophobicContact CB-CE2 3.81Å; N156-F158 HydrophobicContact CB-CG 4.21Å; N156-F158 HydrophobicContact CB-CZ 3.71Å; N156-F158 WeakPolarHBondContact OD1-CZ 3.49Å; N156-P189 WeakPolarHBondContact O-CA 3.45Å; N156-L190 PolarHBondContact O-N 2.9Å
157F93.3Very high94.9Very high82 Ų8224.6 Ų24.636%0.3614%0.137SC..SBendtrans-86.16.2173.2-63.3-85.6000113.4F114 F115 L190F114-F157 HydrophobicContact CE1-CE2 4.08Å; F114-F157 HydrophobicContact CE1-CZ 4.32Å; F115-F157 HydrophobicContact CD1-CB 4.43Å; F115-F157 HydrophobicContact CD1-CD1 4.14Å; F115-F157 AromaticContact CD1-CD2 3.78Å; F115-F157 HydrophobicContact CD1-CD2 3.78Å; F115-F157 HydrophobicContact CD1-CE1 4.31Å; F115-F157 AromaticContact CD1-CE2 3.98Å; F115-F157 HydrophobicContact CD1-CE2 3.98Å; F115-F157 AromaticContact CD1-CG 3.86Å; F115-F157 HydrophobicContact CD1-CG 3.86Å; F115-F157 HydrophobicContact CD1-CZ 4.25Å; F115-F157 HydrophobicContact CE1-CD1 4.29Å; F115-F157 HydrophobicContact CE1-CD2 4.46Å; F115-F157 HydrophobicContact CE1-CE1 4.12Å; F115-F157 HydrophobicContact CE1-CE2 4.31Å; F115-F157 HydrophobicContact CE1-CG 4.45Å; F115-F157 HydrophobicContact CE1-CZ 4.14Å; F157-L190 HydrophobicContact CD1-CD1 3.88Å; F157-L190 HydrophobicContact CD1-CG 4.3Å; F157-L190 HydrophobicContact CE1-CD1 3.74Å; F157-L190 HydrophobicContact CE1-CD2 4.38Å; F157-L190 HydrophobicContact CE1-CG 4.41Å
158F92.1Very high95Very high32 Ų3226.5 Ų26.514%0.1414%0.144CC..SBendtrans-128158.3177.252.8-100.1000111.2P118 N154 N156 V160 Y236P118-F158 HydrophobicContact CB-CZ 4.06Å; N154-F158 PolarHBondContact ND2-O 3.48Å; N156-F158 VanDerWaalsContact C-N 3.26Å; N156-F158 HydrophobicContact CB-CD1 4.11Å; N156-F158 HydrophobicContact CB-CD2 4.08Å; N156-F158 HydrophobicContact CB-CE1 3.86Å; N156-F158 HydrophobicContact CB-CE2 3.81Å; N156-F158 HydrophobicContact CB-CG 4.21Å; N156-F158 HydrophobicContact CB-CZ 3.71Å; N156-F158 WeakPolarHBondContact OD1-CZ 3.49Å; F158-V160 HydrophobicContact CD2-CG2 4.2Å; F158-V160 HydrophobicContact CE2-CG2 4.04Å; F158-Y236 AromaticContact CE2-CD2 3.95Å; F158-Y236 HydrophobicContact CE2-CD2 3.95Å; F158-Y236 AromaticContact CE2-CG 3.9Å; F158-Y236 HydrophobicContact CE2-CG 3.9Å; F158-Y236 HydrophobicContact CZ-CD2 4.17Å
159T93.5Very high95.2Very high78 Ų7826.5 Ų26.548%0.47914%0.144SC..  trans-70.5138.2178.5-53.70000110.8I187T159-I187 WeakPolarHBondContact CA-O 3.15Å; T159-I187 WeakPolarHBondContact CG2-O 3.34Å
160V94.8Very high95.2Very high0 Ų027.5 Ų27.50%015%0.149CC..EExtended strand (participates in β ladder)trans-116133.4175.1-1770000109.6V121 F158 I187 T234 Y236V121-V160 HydrophobicContact CG2-CB 4.32Å; V121-V160 HydrophobicContact CG2-CG1 4Å; V121-V160 HydrophobicContact CG2-CG2 4.02Å; F158-V160 HydrophobicContact CD2-CG2 4.2Å; F158-V160 HydrophobicContact CE2-CG2 4.04Å; V160-I187 PolarHBondContact N-O 2.82Å; V160-I187 PolarHBondContact O-N 2.76Å; V160-T234 HydrophobicContact CG1-CG2 4.37Å; V160-Y236 HydrophobicContact CG1-CD1 4.25Å
161L95Very high95.2Very high58 Ų5828.5 Ų28.530%0.30415%0.153SC..EExtended strand (participates in β ladder)trans-92.6128.8173.3173.467.6000109.3Q163 T186 T234 S235L161-Q163 HydrophobicContact CD2-CG 4.41Å; L161-Q163 PolarHBondContact O-N 2.91Å; L161-T186 HydrophobicContact CB-CG2 4.44Å; L161-T186 HydrophobicContact CD1-CG2 3.45Å; L161-T186 VanDerWaalsContact CD1-CG2 3.45Å; L161-T234 CarbonylContact O-C 3.49Å; L161-T234 WeakPolarHBondContact O-CA 3.43Å; L161-S235 PolarHBondContact N-O 2.8Å; L161-S235 PolarHBondContact O-N 2.85Å
162V95.8Very high95Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-82107.4166.7-1750000106.6F152 V165 N183 P184 T185 I187 V232 T234F152-V162 HydrophobicContact CD1-CG2 4.45Å; F152-V162 HydrophobicContact CE1-CG2 4.45Å; V162-V165 HydrophobicContact CG1-CG2 3.78Å; V162-N183 WeakPolarHBondContact O-CA 3.48Å; V162-P184 HydrophobicContact CB-CG 4.06Å; V162-P184 HydrophobicContact CG1-CG 3.63Å; V162-P184 WeakPolarHBondContact O-CD 3.45Å; V162-T185 HydrophobicContact CB-CG2 4.11Å; V162-T185 WeakPolarHBondContact CB-O 3.47Å; V162-T185 HydrophobicContact CG2-CG2 3.64Å; V162-T185 PolarHBondContact N-O 3.19Å; V162-I187 HydrophobicContact CG2-CD1 3.81Å; V162-I187 HydrophobicContact CG2-CG1 4.15Å; V162-V232 HydrophobicContact CG1-CG1 3.94Å; V162-T234 HydrophobicContact CG2-CG2 4.48Å
163Q95Very high94.7Very high57 Ų5742.2 Ų42.227%0.26621%0.214SC..EExtended strand (participates in β ladder)trans-76-46.2-176.4-72-168.4-26.800111.9L161 N183 K233 S235L161-Q163 HydrophobicContact CD2-CG 4.41Å; L161-Q163 PolarHBondContact O-N 2.91Å; Q163-N183 PolarHBondContact O-N 2.81Å; Q163-K233 HydrophobicContact CB-CB 4.49Å; Q163-K233 HydrophobicContact CB-CG 4.42Å; Q163-K233 PolarHBondContact N-O 2.02Å; Q163-S235 VanDerWaalsContact CD-CB 3.42Å; Q163-S235 WeakPolarHBondContact CG-OG 3.36Å; Q163-S235 PolarHBondContact NE2-OG 2.87Å; Q163-S235 VanDerWaalsContact NE2-OG 3.14Å
164S96.3Very high94.6Very high24 Ų2443.4 Ų43.417%0.16822%0.221CC..EExtended strand (participates in β ladder)trans-152147.4178.263.80000111.9L181 K233S164-L181 CarbonylContact C-O 3.5Å; S164-L181 WeakPolarHBondContact CA-O 3.44Å; S164-K233 PolarHBondContact N-O 3.08Å; S164-K233 PolarHBondContact O-N 3.18Å; S164-K233 WeakPolarHBondContact OG-CB 3.34Å
165V96.8Very high94.7Very high2 Ų246.7 Ų46.71%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-122.5115.2168.9175.20000106.2L150 F152 V162 Q180 L181 P184 T230 V232L150-V165 HydrophobicContact CD1-CG1 3.59Å; L150-V165 HydrophobicContact CD1-CG2 4.44Å; F152-V165 HydrophobicContact CZ-CG2 4.29Å; V162-V165 HydrophobicContact CG1-CG2 3.78Å; V165-Q180 CarbonylContact O-C 3.54Å; V165-Q180 WeakPolarHBondContact O-CA 3.49Å; V165-L181 HydrophobicContact CB-CB 4.42Å; V165-L181 PolarHBondContact N-O 2.85Å; V165-L181 PolarHBondContact O-N 3.34Å; V165-P184 HydrophobicContact CG2-CG 3.87Å; V165-T230 HydrophobicContact CG1-CG2 4.14Å; V165-V232 HydrophobicContact CG2-CG1 4.3Å; V165-V232 HydrophobicContact CG2-CG2 4.22Å
166S96.8Very high94.8Very high34 Ų3446 Ų4624%0.23824%0.236CC..EExtended strand (participates in β ladder)trans-112.3124.8175.9-176.20000108.7R179 T230 S231S166-R179 CarbonylContact C-O 3.6Å; S166-R179 WeakPolarHBondContact CA-O 3.28Å; S166-T230 CarbonylContact O-C 3.49Å; S166-T230 WeakPolarHBondContact O-CA 3.24Å; S166-S231 PolarHBondContact N-O 3.31Å; S166-S231 PolarHBondContact O-N 3.15Å
167C96.8Very high94.9Very high0 Ų046.3 Ų46.30%024%0.239CC..EExtended strand (participates in β ladder)trans-120.2132.1176.7-175.90000109.2T178 R179 Y197 V199 M228 Q229 T230C167-T178 CarbonylContact O-C 3.58Å; C167-T178 WeakPolarHBondContact O-CA 3.39Å; C167-R179 PolarHBondContact N-O 3.25Å; C167-R179 PolarHBondContact O-N 3.16Å; C167-Y197 HydrophobicContact CB-CD2 4.28Å; C167-Y197 HydrophobicContact CB-CE2 3.62Å; C167-V199 HydrophobicContact CB-CG2 4.17Å; C167-M228 WeakPolarHBondContact SG-CG 3.48Å; C167-Q229 CarbonylContact C-O 3.55Å; C167-Q229 WeakPolarHBondContact CA-O 3.49Å; C167-T230 PolarHBondContact SG-OG1 2.82Å; C167-T230 VanDerWaalsContact SG-OG1 3.34Å
168Q97.2Very high95Very high68 Ų6846.8 Ų46.832%0.31825%0.249SC..EExtended strand (participates in β ladder)trans-119.6129.4172.1-57.2-174.419.400108.4L170 T178 Q229Q168-L170 HydrophobicContact CB-CD1 3.93Å; Q168-T178 HydrophobicContact CG-CG2 4.23Å; Q168-Q229 PolarHBondContact N-O 3.43Å; Q168-Q229 PolarHBondContact O-N 2.85Å
169V96.7Very high95.3Very high0 Ų051.4 Ų51.40%027%0.265CS..EExtended strand (participates in β ladder)trans-106.6125.1175.1-178.40000107.7V176 G177 V199 V201 V226 M228V169-V176 HydrophobicContact CB-CG2 4.4Å; V169-V176 HydrophobicContact CG1-CG2 3.99Å; V169-V176 VanDerWaalsContact O-CG2 3.26Å; V169-V176 WeakPolarHBondContact O-CG2 3.38Å; V169-V176 PolarHBondContact O-N 3.47Å; V169-G177 PolarHBondContact N-O 2.82Å; V169-G177 PolarHBondContact O-N 2.82Å; V169-V199 HydrophobicContact CG2-CB 4.29Å; V169-V199 HydrophobicContact CG2-CG1 3.82Å; V169-V201 HydrophobicContact CB-CG2 4.08Å; V169-V201 HydrophobicContact CG1-CG2 3.96Å; V169-V201 HydrophobicContact CG2-CG2 4.18Å; V169-V226 HydrophobicContact CG1-CB 3.83Å; V169-V226 HydrophobicContact CG1-CG1 4.21Å; V169-V226 HydrophobicContact CG1-CG2 4.11Å; V169-M228 HydrophobicContact CG2-CG 4.31Å
170L96.3Very high95.4Very high26 Ų2653.1 Ų53.114%0.13627%0.268CS..EExtended strand (participates in β ladder)trans-116.8136.7-176.5-6684.3000110.2Q168 T174 V175 V226 F227 Q229Q168-L170 HydrophobicContact CB-CD1 3.93Å; L170-T174 CarbonylContact C-O 3.55Å; L170-T174 WeakPolarHBondContact CA-O 3.45Å; L170-V175 HydrophobicContact CD2-CG2 4.28Å; L170-V175 HydrophobicContact CG-CG2 4.08Å; L170-V226 WeakPolarHBondContact O-CA 3.36Å; L170-F227 HydrophobicContact CB-CB 4.28Å; L170-F227 HydrophobicContact CB-CD1 4.34Å; L170-F227 HydrophobicContact CD1-CD1 4.13Å; L170-F227 PolarHBondContact N-O 3.28Å; L170-F227 PolarHBondContact O-N 2.84Å; L170-Q229 HydrophobicContact CD1-CB 4.39Å
171Y94.9Very high95.5Very high21 Ų2154.8 Ų54.88%0.08228%0.277CS..EExtended strand (participates in β ladder)trans-118.4121169.7-178.9-101.1000108.7K173 T174 I203 A207 Y209 V210 I224 V225Y171-K173 PolarHBondContact O-N 2.81Å; Y171-K173 VanDerWaalsContact O-N 3.15Å; Y171-T174 PolarHBondContact N-O 2.97Å; Y171-T174 WeakPolarHBondContact O-CB 3.43Å; Y171-T174 PolarHBondContact O-N 3.04Å; Y171-I203 HydrophobicContact CD1-CG2 4.3Å; Y171-I203 HydrophobicContact CD2-CD1 4.27Å; Y171-I203 HydrophobicContact CG-CD1 4.21Å; Y171-A207 HydrophobicContact CD1-CB 4.31Å; Y171-A207 HydrophobicContact CE1-CB 3.95Å; Y171-Y209 WeakPolarHBondContact CE1-OH 3.47Å; Y171-Y209 PolarHBondContact OH-OH 3.13Å; Y171-V210 HydrophobicContact CE1-CG2 3.78Å; Y171-V210 WeakPolarHBondContact OH-CG2 3.49Å; Y171-I224 HydrophobicContact CE2-CB 4.29Å; Y171-V225 WeakPolarHBondContact CD2-O 3.3Å
172M90.6Very high95.5Very high140 Ų14057 Ų5769%0.6929%0.289SS*.THydrogen-bonded Turntrans47.842.8-176-63.3-66.3-175.900113T174M172-T174 PolarHBondContact O-N 2.97Å
173K89.3Confident95.4Very high196 Ų19661.9 Ų61.985%0.85232%0.315SS*.THydrogen-bonded Turntrans69.81.2-175.6-50.7178177.8177.50116.5Y171Y171-K173 PolarHBondContact O-N 2.81Å; Y171-K173 VanDerWaalsContact O-N 3.15Å
174T93.9Very high95.2Very high54 Ų5461 Ų6133%0.33131%0.314SS..EExtended strand (participates in β ladder)trans-91.5130172.6-56.20000109.5L170 Y171 M172 V176L170-T174 CarbonylContact C-O 3.55Å; L170-T174 WeakPolarHBondContact CA-O 3.45Å; Y171-T174 PolarHBondContact N-O 2.97Å; Y171-T174 WeakPolarHBondContact O-CB 3.43Å; Y171-T174 PolarHBondContact O-N 3.04Å; M172-T174 PolarHBondContact O-N 2.97Å; T174-V176 PolarHBondContact O-N 3.4Å
175V95.9Very high95.1Very high70 Ų7061.4 Ų61.442%0.42432%0.316SS..EExtended strand (participates in β ladder)trans-69117.6173.8-1770000109L170 T178L170-V175 HydrophobicContact CD2-CG2 4.28Å; L170-V175 HydrophobicContact CG-CG2 4.08Å; V175-T178 HydrophobicContact CG1-CG2 3.52Å
176V95.6Very high95Very high22 Ų2265.3 Ų65.313%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-110.8-10-178.1-710000112.7V169 T174 V201 E202 I203V169-V176 HydrophobicContact CB-CG2 4.4Å; V169-V176 HydrophobicContact CG1-CG2 3.99Å; V169-V176 VanDerWaalsContact O-CG2 3.26Å; V169-V176 WeakPolarHBondContact O-CG2 3.38Å; V169-V176 PolarHBondContact O-N 3.47Å; T174-V176 PolarHBondContact O-N 3.4Å; V176-V201 HydrophobicContact CB-CG1 4.01Å; V176-V201 HydrophobicContact CG2-CG1 3.66Å; V176-V201 WeakPolarHBondContact O-CA 3.27Å; V176-E202 WeakPolarHBondContact CB-O 3Å; V176-E202 PolarHBondContact O-N 2.94Å; V176-I203 HydrophobicContact CB-CG1 4.08Å; V176-I203 HydrophobicContact CG1-CG1 4.04Å; V176-I203 HydrophobicContact CG2-CD1 4.48Å; V176-I203 HydrophobicContact CG2-CG1 4.36Å
177G95.8Very high94.9Very high8 Ų863.7 Ų63.78%0.08233%0.328CS..EExtended strand (participates in β ladder)trans-162.1145.6174.400000111.2V169 S200V169-G177 PolarHBondContact N-O 2.82Å; V169-G177 PolarHBondContact O-N 2.82Å; G177-S200 VanDerWaalsContact CA-O 3.3Å; G177-S200 WeakPolarHBondContact CA-O 3.42Å
178T97.1Very high94.9Very high93 Ų9370.2 Ų70.257%0.57136%0.359SS*.EExtended strand (participates in β ladder)trans-135.8145.417460.70000110.1C167 Q168 V175C167-T178 CarbonylContact O-C 3.58Å; C167-T178 WeakPolarHBondContact O-CA 3.39Å; Q168-T178 HydrophobicContact CG-CG2 4.23Å; V175-T178 HydrophobicContact CG1-CG2 3.52Å
179R97.3Very high94.7Very high128 Ų12869.7 Ų69.748%0.48336%0.361SS..EExtended strand (participates in β ladder)trans-143.6134.7173.5-171.466.9-178175.60109.9S166 C167 L181 T198 V199S166-R179 CarbonylContact C-O 3.6Å; S166-R179 WeakPolarHBondContact CA-O 3.28Å; C167-R179 PolarHBondContact N-O 3.25Å; C167-R179 PolarHBondContact O-N 3.16Å; R179-L181 HydrophobicContact CG-CD1 3.66Å; R179-T198 WeakPolarHBondContact CD-O 3.4Å; R179-T198 WeakPolarHBondContact CG-O 3.16Å; R179-V199 HydrophobicContact CB-CB 4.31Å; R179-V199 HydrophobicContact CB-CG1 4.17Å; R179-V199 HydrophobicContact CB-CG2 3.8Å
180Q96.3Very high94.6Very high114 Ų11474.8 Ų74.853%0.53339%0.388SS..EExtended strand (participates in β ladder)trans-124.7130.6170.9-175.4173.1-14.900109.2V165 D182V165-Q180 CarbonylContact O-C 3.54Å; V165-Q180 WeakPolarHBondContact O-CA 3.49Å; Q180-D182 PolarHBondContact NE2-OD1 3.23Å
181L96.2Very high94.6Very high35 Ų3574.8 Ų74.818%0.18339%0.39CS..EExtended strand (participates in β ladder)trans-112.7128.5168.9-82.670.4000107.8S164 V165 R179 P184 V195S164-L181 CarbonylContact C-O 3.5Å; S164-L181 WeakPolarHBondContact CA-O 3.44Å; V165-L181 HydrophobicContact CB-CB 4.42Å; V165-L181 PolarHBondContact N-O 2.85Å; V165-L181 PolarHBondContact O-N 3.34Å; R179-L181 HydrophobicContact CG-CD1 3.66Å; L181-P184 HydrophobicContact CB-CB 4.21Å; L181-P184 HydrophobicContact CB-CG 4.43Å; L181-P184 HydrophobicContact CD2-CB 4.13Å; L181-V195 HydrophobicContact CD2-CG1 4.19Å
182D95.4Very high94.6Very high105 Ų10580.1 Ų80.156%0.56142%0.416SS*.EExtended strand (participates in β ladder)trans-105132.4176.2-60-44.5000110Q180 P184Q180-D182 PolarHBondContact NE2-OD1 3.23Å; D182-P184 VanDerWaalsContact C-CD 3.47Å
183N92.6Very high94.7Very high103 Ų10374.5 Ų74.555%0.55139%0.39SS*.EExtended strand (participates in β ladder)trans4750.9-175.2-57.4-62.5000114.5V162 Q163 T185V162-N183 WeakPolarHBondContact O-CA 3.48Å; Q163-N183 PolarHBondContact O-N 2.81Å; N183-T185 VanDerWaalsContact C-N 3.33Å; N183-T185 PolarHBondContact O-N 2.88Å
184P91.6Very high95Very high39 Ų3971 Ų7125%0.25338%0.377SS..EExtended strand (participates in β ladder)trans-64.8-32.6-173.124.1-35.2000114.3V162 V165 L181 D182 V195V162-P184 HydrophobicContact CB-CG 4.06Å; V162-P184 HydrophobicContact CG1-CG 3.63Å; V162-P184 WeakPolarHBondContact O-CD 3.45Å; V165-P184 HydrophobicContact CG2-CG 3.87Å; L181-P184 HydrophobicContact CB-CB 4.21Å; L181-P184 HydrophobicContact CB-CG 4.43Å; L181-P184 HydrophobicContact CD2-CB 4.13Å; D182-P184 VanDerWaalsContact C-CD 3.47Å; P184-V195 HydrophobicContact CB-CG1 4.07Å; P184-V195 HydrophobicContact CB-CG2 4.49Å
185T94.6Very high95Very high32 Ų3269.1 Ų69.120%0.19637%0.365CS..EExtended strand (participates in β ladder)trans-162.3161.6-177.1-164.50000112.7V162 N183 I187 S193 V195V162-T185 HydrophobicContact CB-CG2 4.11Å; V162-T185 WeakPolarHBondContact CB-O 3.47Å; V162-T185 HydrophobicContact CG2-CG2 3.64Å; V162-T185 PolarHBondContact N-O 3.19Å; N183-T185 VanDerWaalsContact C-N 3.33Å; N183-T185 PolarHBondContact O-N 2.88Å; T185-I187 HydrophobicContact CG2-CG1 4.41Å; T185-S193 PolarHBondContact OG1-OG 2.64Å; T185-V195 HydrophobicContact CG2-CG2 3.53Å
186T94.5Very high95Very high84 Ų8469.9 Ų69.952%0.51537%0.367SS..EExtended strand (participates in β ladder)trans-116.4136.3166.953.60000108.8L161L161-T186 HydrophobicContact CB-CG2 4.44Å; L161-T186 HydrophobicContact CD1-CG2 3.45Å; L161-T186 VanDerWaalsContact CD1-CG2 3.45Å
187I95.5Very high95Very high0 Ų069.1 Ų69.10%036%0.362CS..EExtended strand (participates in β ladder)trans-107.8119.5-176.6-45.1160.4000108V121 F152 N154 T159 V160 V162 T185V121-I187 HydrophobicContact CG1-CD1 4.1Å; F152-I187 HydrophobicContact CB-CD1 3.51Å; F152-I187 HydrophobicContact CB-CG1 4.22Å; F152-I187 HydrophobicContact CD1-CD1 4.28Å; F152-I187 HydrophobicContact CG-CD1 4.01Å; N154-I187 HydrophobicContact CB-CB 4.12Å; N154-I187 HydrophobicContact CB-CG2 3.45Å; N154-I187 VanDerWaalsContact CB-CG2 3.45Å; T159-I187 WeakPolarHBondContact CA-O 3.15Å; T159-I187 WeakPolarHBondContact CG2-O 3.34Å; V160-I187 PolarHBondContact N-O 2.82Å; V160-I187 PolarHBondContact O-N 2.76Å; V162-I187 HydrophobicContact CG2-CD1 3.81Å; V162-I187 HydrophobicContact CG2-CG1 4.15Å; T185-I187 HydrophobicContact CG2-CG1 4.41Å
188Q95.4Very high95Very high136 Ų13671.4 Ų71.464%0.63637%0.374SS*.  trans-66.8162.6179.5-64.4-176.18.900111.4N154 L190 S191N154-Q188 PolarHBondContact ND2-O 2.92Å; Q188-L190 PolarHBondContact O-N 3.02Å; Q188-S191 VanDerWaalsContact C-OG 3.25Å; Q188-S191 WeakPolarHBondContact CA-OG 3.5Å; Q188-S191 WeakPolarHBondContact CB-OG 3.43Å; Q188-S191 PolarHBondContact N-OG 2.83Å; Q188-S191 VanDerWaalsContact N-OG 3.11Å; Q188-S191 PolarHBondContact O-N 3.38Å; Q188-S191 PolarHBondContact O-OG 3.37Å
189P94.4Very high95Very high57 Ų5767 Ų6737%0.3735%0.347SS..THydrogen-bonded Turntrans-53.8138.3173.3-25.535.2000112.1N156 S191N156-P189 WeakPolarHBondContact O-CA 3.45Å; P189-S191 PolarHBondContact O-N 2.97Å
190L93.7Very high95Very high107 Ų10764.5 Ų64.556%0.5635%0.349SS*.THydrogen-bonded Turntrans5132.6175.9-59172.8000114.4N154 N156 F157 Q188N154-L190 CarbonylContact O-C 3.6Å; N154-L190 WeakPolarHBondContact O-CA 3.29Å; N154-L190 PolarHBondContact O-N 2.98Å; N156-L190 PolarHBondContact O-N 2.9Å; F157-L190 HydrophobicContact CD1-CD1 3.88Å; F157-L190 HydrophobicContact CD1-CG 4.3Å; F157-L190 HydrophobicContact CE1-CD1 3.74Å; F157-L190 HydrophobicContact CE1-CD2 4.38Å; F157-L190 HydrophobicContact CE1-CG 4.41Å; Q188-L190 PolarHBondContact O-N 3.02Å
191S95.5Very high94.9Very high27 Ų2759.4 Ų59.419%0.18933%0.326CS..  trans-124.7170.8-172.578.20000113N154 Q188 P189N154-S191 PolarHBondContact N-O 2.89Å; N154-S191 PolarHBondContact O-N 2.89Å; Q188-S191 VanDerWaalsContact C-OG 3.25Å; Q188-S191 WeakPolarHBondContact CA-OG 3.5Å; Q188-S191 WeakPolarHBondContact CB-OG 3.43Å; Q188-S191 PolarHBondContact N-OG 2.83Å; Q188-S191 VanDerWaalsContact N-OG 3.11Å; Q188-S191 PolarHBondContact O-N 3.38Å; Q188-S191 PolarHBondContact O-OG 3.37Å; P189-S191 PolarHBondContact O-N 2.97Å
192H94.7Very high94.9Very high132 Ų13261.8 Ų61.861%0.61134%0.336SS*.EExtended strand (participates in β ladder)trans-117.5145.8175.7-62.2-99.1000110.1F152 S153F152-H192 CarbonylContact O-C 3.56Å; F152-H192 VanDerWaalsContact O-CA 3.22Å; F152-H192 WeakPolarHBondContact O-CA 3.43Å; S153-H192 WeakPolarHBondContact CB-ND1 3.34Å; S153-H192 PolarHBondContact OG-CE1 2.79Å; S153-H192 PolarHBondContact OG-ND1 2.86Å
193S94.3Very high94.8Very high22 Ų2256.9 Ų56.915%0.15431%0.31CS..EExtended strand (participates in β ladder)trans-139145.2175.9-176.70000109.6N151 F152 T185N151-S193 PolarHBondContact OD1-O 2.83Å; F152-S193 PolarHBondContact N-O 3.44Å; F152-S193 PolarHBondContact O-N 2.79Å; T185-S193 PolarHBondContact OG1-OG 2.64Å
194Q94.8Very high94.5Very high124 Ų12452.3 Ų52.358%0.57929%0.287SS*.EExtended strand (participates in β ladder)trans-120.7137.9177.3-67.4179.72300110T149 L150 N151T149-Q194 HydrophobicContact CG2-CB 4.4Å; L150-Q194 WeakPolarHBondContact O-CA 3.38Å; N151-Q194 HydrophobicContact CB-CG 4.45Å
195V95.1Very high94.1Very high14 Ų1454.5 Ų54.59%0.08530%0.304CS..EExtended strand (participates in β ladder)trans-127.6127.6176.7-179.90000109.1T149 L150 F152 L181 P184 T185T149-V195 WeakPolarHBondContact CA-O 3.38Å; L150-V195 PolarHBondContact N-O 3.14Å; L150-V195 PolarHBondContact O-N 2.98Å; F152-V195 HydrophobicContact CD2-CG2 4.16Å; F152-V195 HydrophobicContact CE2-CB 3.9Å; F152-V195 HydrophobicContact CE2-CG2 3.65Å; L181-V195 HydrophobicContact CD2-CG1 4.19Å; P184-V195 HydrophobicContact CB-CG1 4.07Å; P184-V195 HydrophobicContact CB-CG2 4.49Å; T185-V195 HydrophobicContact CG2-CG2 3.53Å
196N95.4Very high93.7Very high86 Ų8658.7 Ų58.746%0.4633%0.325SS..EExtended strand (participates in β ladder)trans-97.7137.7172.2-57.9-26000109S148 T149S148-N196 WeakPolarHBondContact O-CA 3.47Å; T149-N196 WeakPolarHBondContact CB-OD1 3.34Å; T149-N196 VanDerWaalsContact CG2-OD1 3.28Å; T149-N196 WeakPolarHBondContact CG2-OD1 3.45Å; T149-N196 PolarHBondContact OG1-OD1 2.96Å
197Y94.9Very high93.5Very high5 Ų555 Ų552%0.0230%0.303CS..EExtended strand (participates in β ladder)trans-141146.8176.164.3-73.8000109.7T147 S148 L150 C167 V199 M228T147-Y197 WeakPolarHBondContact CA-O 3.4Å; S148-Y197 PolarHBondContact N-O 3.07Å; S148-Y197 WeakPolarHBondContact O-CD1 3.21Å; S148-Y197 PolarHBondContact O-N 3.45Å; S148-Y197 PolarHBondContact OG-OH 3.32Å; L150-Y197 HydrophobicContact CD1-CD1 4.18Å; L150-Y197 HydrophobicContact CD1-CE1 3.69Å; L150-Y197 HydrophobicContact CG-CD1 4.4Å; L150-Y197 HydrophobicContact CG-CE1 3.67Å; C167-Y197 HydrophobicContact CB-CD2 4.28Å; C167-Y197 HydrophobicContact CB-CE2 3.62Å; Y197-V199 HydrophobicContact CD2-CG2 3.85Å; Y197-V199 HydrophobicContact CE2-CG2 3.82Å; Y197-M228 VanDerWaalsContact OH-CE 3.29Å; Y197-M228 WeakPolarHBondContact OH-CE 3.35Å
198T96.1Very high93.1Very high56 Ų5658.9 Ų58.934%0.34433%0.328SS..EExtended strand (participates in β ladder)trans-114.4127.6179.6-54.30000109.4N145 M146 T147 R179N145-T198 HydrophobicContact CB-CG2 4.04Å; M146-T198 CarbonylContact O-C 3.58Å; M146-T198 VanDerWaalsContact O-CA 3.27Å; M146-T198 WeakPolarHBondContact O-CA 3.47Å; T147-T198 PolarHBondContact OG1-OG1 3.11Å; R179-T198 WeakPolarHBondContact CD-O 3.4Å; R179-T198 WeakPolarHBondContact CG-O 3.16Å
199V97Very high92.9Very high1 Ų158.6 Ų58.61%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-106.2126.7175.3-169.50000108.4M146 C167 V169 R179 Y197 V201M146-V199 PolarHBondContact N-O 3.05Å; M146-V199 PolarHBondContact O-N 2.7Å; C167-V199 HydrophobicContact CB-CG2 4.17Å; V169-V199 HydrophobicContact CG2-CB 4.29Å; V169-V199 HydrophobicContact CG2-CG1 3.82Å; R179-V199 HydrophobicContact CB-CB 4.31Å; R179-V199 HydrophobicContact CB-CG1 4.17Å; R179-V199 HydrophobicContact CB-CG2 3.8Å; Y197-V199 HydrophobicContact CD2-CG2 3.85Å; Y197-V199 HydrophobicContact CE2-CG2 3.82Å; V199-V201 HydrophobicContact CG1-CG2 4.32Å
200S96.5Very high92.9Very high76 Ų7655.9 Ų55.953%0.53131%0.305SS..EExtended strand (participates in β ladder)trans-86124.5170.4-61.40000108.9M144 N145 G177M144-S200 CarbonylContact O-C 3.6Å; M144-S200 WeakPolarHBondContact O-CA 3.38Å; N145-S200 PolarHBondContact OD1-OG 3.24Å; G177-S200 VanDerWaalsContact CA-O 3.3Å; G177-S200 WeakPolarHBondContact CA-O 3.42Å
201V95.6Very high92.9Very high7 Ų752.4 Ų52.44%0.04228%0.284CS..EExtended strand (participates in β ladder)trans-116.4130.5-175.8177.20000108.4L143 M144 V169 V176 V199 I203L143-V201 CarbonylContact C-O 3.55Å; L143-V201 WeakPolarHBondContact CA-O 3.45Å; M144-V201 HydrophobicContact CB-CB 4.22Å; M144-V201 HydrophobicContact CE-CG1 3.93Å; M144-V201 PolarHBondContact N-O 2.83Å; M144-V201 PolarHBondContact O-N 3.43Å; V169-V201 HydrophobicContact CB-CG2 4.08Å; V169-V201 HydrophobicContact CG1-CG2 3.96Å; V169-V201 HydrophobicContact CG2-CG2 4.18Å; V176-V201 HydrophobicContact CB-CG1 4.01Å; V176-V201 HydrophobicContact CG2-CG1 3.66Å; V176-V201 WeakPolarHBondContact O-CA 3.27Å; V199-V201 HydrophobicContact CG1-CG2 4.32Å; V201-I203 HydrophobicContact CG1-CD1 4.11Å; V201-I203 HydrophobicContact CG1-CG1 3.85Å
202E95.1Very high92.8Very high84 Ų8453.9 Ų53.939%0.39330%0.298SS..EExtended strand (participates in β ladder)trans-124116.2178.3-179.7179.8158.600109.6K141 L143 V176K141-E202 HydrophobicContact CD-CG 4.2Å; K141-E202 WeakPolarHBondContact CD-OE1 3.43Å; K141-E202 WeakPolarHBondContact CE-OE1 3.33Å; K141-E202 IonicContact NZ-OE1 2.68Å; K141-E202 PolarHBondContact NZ-OE1 2.85Å; L143-E202 HydrophobicContact CD2-CB 3.92Å; L143-E202 HydrophobicContact CD2-CG 3.72Å; V176-E202 WeakPolarHBondContact CB-O 3Å; V176-E202 PolarHBondContact O-N 2.94Å
203I94.3Very high92.8Very high2 Ų251.2 Ų51.21%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-121.3118.4178.5-47.1-172.9000109.2V142 M144 Y171 V176 V201 A207 V210 I224V142-I203 PolarHBondContact N-O 2.78Å; V142-I203 PolarHBondContact O-N 3.33Å; M144-I203 HydrophobicContact CE-CD1 3.49Å; M144-I203 VanDerWaalsContact CE-CD1 3.49Å; M144-I203 HydrophobicContact CE-CG1 3.85Å; Y171-I203 HydrophobicContact CD1-CG2 4.3Å; Y171-I203 HydrophobicContact CD2-CD1 4.27Å; Y171-I203 HydrophobicContact CG-CD1 4.21Å; V176-I203 HydrophobicContact CB-CG1 4.08Å; V176-I203 HydrophobicContact CG1-CG1 4.04Å; V176-I203 HydrophobicContact CG2-CD1 4.48Å; V176-I203 HydrophobicContact CG2-CG1 4.36Å; V201-I203 HydrophobicContact CG1-CD1 4.11Å; V201-I203 HydrophobicContact CG1-CG1 3.85Å; I203-A207 HydrophobicContact CG2-CB 4.22Å; I203-V210 HydrophobicContact CB-CG1 4.43Å; I203-V210 HydrophobicContact CG2-CB 3.93Å; I203-V210 HydrophobicContact CG2-CG1 3.9Å; I203-V210 HydrophobicContact CG2-CG2 3.92Å; I203-I224 HydrophobicContact CD1-CD1 3.83Å
204G86.6Confident92.7Very high8 Ų850.3 Ų50.38%0.08228%0.278CS..SBendtrans171-28.7171.200000115.5P208G204-P208 WeakPolarHBondContact O-CA 3.33Å
205S83.1Confident92.6Very high85 Ų8546.8 Ų46.859%0.59427%0.265SS*.SBendtrans-60.5-54.3178.748.10000112.8
206N86.2Confident92.5Very high119 Ų11949.1 Ų49.164%0.63628%0.277SS*.SBendtrans-95-9.3-177.8-65.2-2.4000113.1
207A89.5Confident92.1Very high8 Ų851 Ų517%0.06629%0.293CS..  trans-141.663.5-174.500000111.5Y171 I203 Y209 V210Y171-A207 HydrophobicContact CD1-CB 4.31Å; Y171-A207 HydrophobicContact CE1-CB 3.95Å; I203-A207 HydrophobicContact CG2-CB 4.22Å; A207-Y209 HydrophobicContact CB-CD1 4.27Å; A207-Y209 HydrophobicContact CB-CE1 3.66Å; A207-Y209 PolarHBondContact O-N 2.8Å; A207-Y209 VanDerWaalsContact O-N 3.16Å; A207-V210 HydrophobicContact CB-CG2 3.78Å; A207-V210 WeakPolarHBondContact O-CB 3.22Å; A207-V210 WeakPolarHBondContact O-CG2 3.39Å; A207-V210 PolarHBondContact O-N 2.88Å
208P87.5Confident91.8Very high80 Ų8061.6 Ų61.652%0.51933%0.334SS..Hα-helixtrans-64.9-21.1-175.526.8-35.8000113.3G204 V210 Y211G204-P208 WeakPolarHBondContact O-CA 3.33Å; P208-V210 PolarHBondContact O-N 3.36Å; P208-Y211 PolarHBondContact O-N 2.83Å
209Y91.6Very high91.3Very high130 Ų13062.2 Ų62.251%0.5133%0.334SS..Hα-helixtrans-64.5-24.7174.965.3-92.2000112.8Y171 A207 Y211 A212 F213Y171-Y209 WeakPolarHBondContact CE1-OH 3.47Å; Y171-Y209 PolarHBondContact OH-OH 3.13Å; A207-Y209 HydrophobicContact CB-CD1 4.27Å; A207-Y209 HydrophobicContact CB-CE1 3.66Å; A207-Y209 PolarHBondContact O-N 2.8Å; A207-Y209 VanDerWaalsContact O-N 3.16Å; Y209-Y211 VanDerWaalsContact C-N 3.35Å; Y209-Y211 PolarHBondContact O-N 2.74Å; Y209-A212 PolarHBondContact O-N 3.37Å; Y209-F213 WeakPolarHBondContact O-CB 3.34Å; Y209-F213 PolarHBondContact O-N 2.82Å
210V93.7Very high90.6Very high1 Ų171.6 Ų71.61%0.00638%0.375CS..Hα-helixtrans-64.2-42.3179.9177.10000110.2V142 Y171 I203 A207 P208 A212 F213 C214V142-V210 HydrophobicContact CG2-CG1 4.35Å; Y171-V210 HydrophobicContact CE1-CG2 3.78Å; Y171-V210 WeakPolarHBondContact OH-CG2 3.49Å; I203-V210 HydrophobicContact CB-CG1 4.43Å; I203-V210 HydrophobicContact CG2-CB 3.93Å; I203-V210 HydrophobicContact CG2-CG1 3.9Å; I203-V210 HydrophobicContact CG2-CG2 3.92Å; A207-V210 HydrophobicContact CB-CG2 3.78Å; A207-V210 WeakPolarHBondContact O-CB 3.22Å; A207-V210 WeakPolarHBondContact O-CG2 3.39Å; A207-V210 PolarHBondContact O-N 2.88Å; P208-V210 PolarHBondContact O-N 3.36Å; V210-A212 PolarHBondContact O-N 2.9Å; V210-F213 WeakPolarHBondContact O-CB 3.41Å; V210-F213 PolarHBondContact O-N 3.09Å; V210-C214 WeakPolarHBondContact O-CB 3.46Å; V210-C214 PolarHBondContact O-N 2.82Å; V210-C214 PolarHBondContact O-SG 2.8Å
211Y94.2Very high90.1Very high34 Ų3471.8 Ų71.813%0.13337%0.372CS..Hα-helixtrans-59.6-45.6175.5171.8-88.4000112.1F135 H137 K140 V142 P208 Y209 F213 C214 T215F135-Y211 HydrophobicContact CB-CE2 4.24Å; H137-Y211 AromaticContact ND1-CZ 3.89Å; H137-Y211 PolarHBondContact ND1-OH 2.84Å; K140-Y211 VanDerWaalsContact C-CD2 3.49Å; K140-Y211 HydrophobicContact CB-CD1 3.83Å; K140-Y211 HydrophobicContact CB-CD2 4.46Å; K140-Y211 HydrophobicContact CB-CE1 4.19Å; K140-Y211 HydrophobicContact CB-CG 3.99Å; K140-Y211 HydrophobicContact CG-CD1 4.28Å; K140-Y211 HydrophobicContact CG-CE1 4.21Å; K140-Y211 WeakPolarHBondContact O-CB 3.42Å; V142-Y211 HydrophobicContact CG2-CD2 4.3Å; P208-Y211 PolarHBondContact O-N 2.83Å; Y209-Y211 VanDerWaalsContact C-N 3.35Å; Y209-Y211 PolarHBondContact O-N 2.74Å; Y211-F213 VanDerWaalsContact C-N 3.31Å; Y211-F213 PolarHBondContact O-N 2.98Å; Y211-C214 PolarHBondContact O-N 2.79Å; Y211-T215 HydrophobicContact CD2-CG2 4.3Å; Y211-T215 HydrophobicContact CE1-CG2 4.41Å; Y211-T215 HydrophobicContact CE2-CG2 3.99Å; Y211-T215 WeakPolarHBondContact O-CB 3.37Å; Y211-T215 WeakPolarHBondContact O-CG2 3.47Å; Y211-T215 PolarHBondContact O-N 2.79Å; Y211-T215 VanDerWaalsContact O-N 3.08Å; Y211-T215 PolarHBondContact O-OG1 2.85Å
212A93.1Very high89.9Confident57 Ų5772 Ų7247%0.47137%0.373SS..Hα-helixtrans-64.1-38.1177.500000111.9Y209 V210 I216Y209-A212 PolarHBondContact O-N 3.37Å; V210-A212 PolarHBondContact O-N 2.9Å; A212-I216 WeakPolarHBondContact O-CB 3.26Å; A212-I216 PolarHBondContact O-N 3.14Å
213F93.7Very high89.7Confident77 Ų7772.1 Ų72.134%0.33838%0.376SS..Hα-helixtrans-63.4-55.5174179.2-105.3000110.9Y209 V210 Y211 T215 I216 I219 H222 I224Y209-F213 WeakPolarHBondContact O-CB 3.34Å; Y209-F213 PolarHBondContact O-N 2.82Å; V210-F213 WeakPolarHBondContact O-CB 3.41Å; V210-F213 PolarHBondContact O-N 3.09Å; Y211-F213 VanDerWaalsContact C-N 3.31Å; Y211-F213 PolarHBondContact O-N 2.98Å; F213-T215 PolarHBondContact O-N 3.44Å; F213-T215 VanDerWaalsContact O-N 3.15Å; F213-I216 WeakPolarHBondContact O-CG2 3.48Å; F213-I216 PolarHBondContact O-N 3.01Å; F213-I219 HydrophobicContact CE2-CD1 4.18Å; F213-H222 HydrophobicContact CD1-CB 4.23Å; F213-H222 HydrophobicContact CE1-CB 3.86Å; F213-H222 HydrophobicContact CZ-CB 4.48Å; F213-H222 PolarHBondContact O-CD2 2.72Å; F213-H222 PolarHBondContact O-NE2 3Å; F213-I224 HydrophobicContact CD1-CG2 4.31Å; F213-I224 HydrophobicContact CE1-CG2 4.23Å
214C93.3Very high89.7Confident3 Ų372.4 Ų72.42%0.0238%0.378CS..Hα-helixtrans-64-21.7-176.2-57.80000114.3F135 V142 V210 Y211 C253F135-C214 HydrophobicContact CE1-CB 3.72Å; F135-C214 HydrophobicContact CZ-CB 4.26Å; V142-C214 HydrophobicContact CG2-CB 4.12Å; V210-C214 WeakPolarHBondContact O-CB 3.46Å; V210-C214 PolarHBondContact O-N 2.82Å; V210-C214 PolarHBondContact O-SG 2.8Å; Y211-C214 PolarHBondContact O-N 2.79Å; C214-C253 VanDerWaalsContact CA-SG 3.6Å; C214-C253 HydrophobicContact CB-CB 3.91Å; C214-C253 WeakPolarHBondContact CB-O 3.48Å; C214-C253 WeakPolarHBondContact CB-SG 3.5Å; C214-C253 WeakPolarHBondContact SG-CB 3.38Å; C214-C253 CovalentContact SG-SG 2.02Å; C214-C253 PolarHBondContact SG-SG 3.43Å
215T93.1Very high90Very high50 Ų5074.7 Ų74.731%0.30739%0.39SS..THydrogen-bonded Turntrans-100.7-3.2-179.656.70000113.8F135 Y211 F213 P217F135-T215 HydrophobicContact CD1-CG2 3.77Å; F135-T215 HydrophobicContact CD2-CG2 4.46Å; F135-T215 HydrophobicContact CE1-CG2 3.92Å; F135-T215 HydrophobicContact CG-CG2 4.06Å; F135-T215 HydrophobicContact CZ-CG2 4.3Å; Y211-T215 HydrophobicContact CD2-CG2 4.3Å; Y211-T215 HydrophobicContact CE1-CG2 4.41Å; Y211-T215 HydrophobicContact CE2-CG2 3.99Å; Y211-T215 WeakPolarHBondContact O-CB 3.37Å; Y211-T215 WeakPolarHBondContact O-CG2 3.47Å; Y211-T215 PolarHBondContact O-N 2.79Å; Y211-T215 VanDerWaalsContact O-N 3.08Å; Y211-T215 PolarHBondContact O-OG1 2.85Å; F213-T215 PolarHBondContact O-N 3.44Å; F213-T215 VanDerWaalsContact O-N 3.15Å; T215-P217 WeakPolarHBondContact O-CD 3.21Å
216I92.2Very high90.6Very high62 Ų6270.7 Ų70.732%0.31836%0.362SS..  trans-70.8120.2-174.5-160.5173000110.9A212 F213 R218 I219 H222A212-I216 WeakPolarHBondContact O-CB 3.26Å; A212-I216 PolarHBondContact O-N 3.14Å; F213-I216 WeakPolarHBondContact O-CG2 3.48Å; F213-I216 PolarHBondContact O-N 3.01Å; I216-R218 VanDerWaalsContact C-N 3.25Å; I216-R218 HydrophobicContact CG1-CB 4.45Å; I216-R218 PolarHBondContact O-N 3.45Å; I216-I219 HydrophobicContact CG2-CB 3.78Å; I216-I219 HydrophobicContact CG2-CD1 3.71Å; I216-I219 HydrophobicContact CG2-CG1 3.73Å; I216-I219 PolarHBondContact O-N 2.83Å; I216-H222 PolarHBondContact O-NE2 2.89Å
217P87.9Confident91.1Very high125 Ų12566.9 Ų66.981%0.81234%0.34SS*.THydrogen-bonded Turntrans-75.5-15.1-174.329.2-35.7000113.3T215 I219T215-P217 WeakPolarHBondContact O-CD 3.21Å; P217-I219 VanDerWaalsContact C-N 3.29Å
218R87.9Confident91.3Very high229 Ų22966.6 Ų66.686%0.86434%0.337SS*.THydrogen-bonded Turntrans-73.2-23.1179.6-68.2-172.4177.5-175.6-0.2112.8I216I216-R218 VanDerWaalsContact C-N 3.25Å; I216-R218 HydrophobicContact CG1-CB 4.45Å; I216-R218 PolarHBondContact O-N 3.45Å
219I84.6Confident91.7Very high69 Ų6965.9 Ų65.935%0.35433%0.327SS..  trans-108.4129.7-178.9-55.9178.2000106.9F213 I216 P217 V221 H222F213-I219 HydrophobicContact CE2-CD1 4.18Å; I216-I219 HydrophobicContact CG2-CB 3.78Å; I216-I219 HydrophobicContact CG2-CD1 3.71Å; I216-I219 HydrophobicContact CG2-CG1 3.73Å; I216-I219 PolarHBondContact O-N 2.83Å; P217-I219 VanDerWaalsContact C-N 3.29Å; I219-V221 WeakPolarHBondContact CG2-O 3.21Å; I219-H222 PolarHBondContact O-CE1 2.91Å; I219-H222 PolarHBondContact O-NE2 2.91Å; I219-H222 VanDerWaalsContact O-NE2 3.09Å
220K82.4Confident91.9Very high197 Ų19759.7 Ų59.786%0.85730%0.303SS*.SBendtrans-87.3-17.3-179.8-69.4-173.3177.4-177.40113.9
221V86.6Confident92Very high80 Ų8060.9 Ų60.949%0.48531%0.311SS..  trans-129.8118.3-174.5-177.80000108.8I219 N223I219-V221 WeakPolarHBondContact CG2-O 3.21Å; V221-N223 HydrophobicContact CG1-CB 4.49Å; V221-N223 VanDerWaalsContact CG1-ND2 3.34Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.44Å; V221-N223 WeakPolarHBondContact CG1-OD1 3.49Å
222H91Very high92.1Very high13 Ų1359.2 Ų59.26%0.0630%0.304CS..  trans-114.963.9-175.6-51.894.6000110.2F213 I216 I219 I224 D252 C253 G254F213-H222 HydrophobicContact CD1-CB 4.23Å; F213-H222 HydrophobicContact CE1-CB 3.86Å; F213-H222 HydrophobicContact CZ-CB 4.48Å; F213-H222 PolarHBondContact O-CD2 2.72Å; F213-H222 PolarHBondContact O-NE2 3Å; I216-H222 PolarHBondContact O-NE2 2.89Å; I219-H222 PolarHBondContact O-CE1 2.91Å; I219-H222 PolarHBondContact O-NE2 2.91Å; I219-H222 VanDerWaalsContact O-NE2 3.09Å; H222-I224 PolarHBondContact O-N 2.86Å; H222-D252 WeakPolarHBondContact CA-OD1 3.48Å; H222-D252 PolarHBondContact N-OD1 3.33Å; H222-C253 VanDerWaalsContact CB-SG 3.55Å; H222-C253 PolarHBondContact O-N 3.27Å; H222-C253 PolarHBondContact O-SG 3.29Å; H222-G254 WeakPolarHBondContact ND1-CA 3.04Å
223N91.9Very high92.2Very high86 Ų8660 Ų6046%0.4630%0.297SS..EExtended strand (participates in β ladder)trans-75121.8-178.3-70.2-21.1000111.5V221 I251V221-N223 HydrophobicContact CG1-CB 4.49Å; V221-N223 VanDerWaalsContact CG1-ND2 3.34Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.44Å; V221-N223 WeakPolarHBondContact CG1-OD1 3.49Å; N223-I251 CarbonylContact C-O 3.57Å; N223-I251 WeakPolarHBondContact CA-O 3.01Å
224I93.5Very high92.3Very high8 Ų856.4 Ų56.44%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-111.9153.1168.363.6170.4000109.6M144 Y171 I203 F213 H222 V226 Y250 I251 C253M144-I224 HydrophobicContact CE-CD1 3.88Å; M144-I224 HydrophobicContact SD-CD1 4.26Å; Y171-I224 HydrophobicContact CE2-CB 4.29Å; I203-I224 HydrophobicContact CD1-CD1 3.83Å; F213-I224 HydrophobicContact CD1-CG2 4.31Å; F213-I224 HydrophobicContact CE1-CG2 4.23Å; H222-I224 PolarHBondContact O-N 2.86Å; I224-V226 HydrophobicContact CD1-CG1 4.4Å; I224-Y250 WeakPolarHBondContact O-CA 3.41Å; I224-I251 HydrophobicContact CG1-CB 4.2Å; I224-I251 WeakPolarHBondContact CG1-O 3.47Å; I224-I251 PolarHBondContact N-O 3.15Å; I224-I251 PolarHBondContact O-N 3.42Å; I224-C253 HydrophobicContact CD1-CB 4.1Å; I224-C253 HydrophobicContact CG1-CB 4.3Å
225V93.9Very high92.3Very high56 Ų5657.1 Ų57.134%0.33929%0.286SS..EExtended strand (participates in β ladder)trans-103.1127.7173.7-177.80000108.9Y171 Y248 H249 Y250Y171-V225 WeakPolarHBondContact CD2-O 3.3Å; V225-Y248 HydrophobicContact CG1-CD1 3.9Å; V225-H249 WeakPolarHBondContact CA-O 3.48Å; V225-Y250 HydrophobicContact CG2-CD1 3.5Å; V225-Y250 HydrophobicContact CG2-CE1 3.28Å; V225-Y250 HydrophobicContact CG2-CG 4.3Å
226V95.1Very high92.1Very high1 Ų155.7 Ų55.71%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-114.4147.5168.8-59.50000109.6V169 L170 I224 Y248 H249 I251V169-V226 HydrophobicContact CG1-CB 3.83Å; V169-V226 HydrophobicContact CG1-CG1 4.21Å; V169-V226 HydrophobicContact CG1-CG2 4.11Å; L170-V226 WeakPolarHBondContact O-CA 3.36Å; I224-V226 HydrophobicContact CD1-CG1 4.4Å; V226-Y248 WeakPolarHBondContact O-CA 3.34Å; V226-H249 HydrophobicContact CG2-CB 4.19Å; V226-H249 PolarHBondContact N-O 2.82Å; V226-H249 PolarHBondContact O-N 3.26Å; V226-I251 HydrophobicContact CB-CD1 4.46Å; V226-I251 HydrophobicContact CG1-CD1 4.2Å; V226-I251 HydrophobicContact CG2-CD1 3.41Å; V226-I251 VanDerWaalsContact CG2-CD1 3.41Å; V226-I251 HydrophobicContact CG2-CG1 4.17Å
227F95.8Very high91.7Very high38 Ų3859.8 Ų59.817%0.16730%0.295CS..EExtended strand (participates in β ladder)trans-101.7122.5172.4178.8-107.9000108.3L170 Q229 E246 Y248L170-F227 HydrophobicContact CB-CB 4.28Å; L170-F227 HydrophobicContact CB-CD1 4.34Å; L170-F227 HydrophobicContact CD1-CD1 4.13Å; L170-F227 PolarHBondContact N-O 3.28Å; L170-F227 PolarHBondContact O-N 2.84Å; F227-Q229 HydrophobicContact CE1-CB 4.12Å; F227-E246 HydrophobicContact CE1-CG 4.46Å; F227-E246 HydrophobicContact CE2-CB 3.94Å; F227-E246 HydrophobicContact CZ-CB 3.68Å; F227-E246 HydrophobicContact CZ-CG 3.78Å; F227-Y248 HydrophobicContact CB-CD1 4.05Å; F227-Y248 HydrophobicContact CB-CE1 3.89Å; F227-Y248 AromaticContact CD2-CD1 3.8Å; F227-Y248 HydrophobicContact CD2-CD1 3.8Å; F227-Y248 HydrophobicContact CD2-CD2 4.13Å; F227-Y248 AromaticContact CD2-CE1 3.47Å; F227-Y248 HydrophobicContact CD2-CE1 3.47Å; F227-Y248 VanDerWaalsContact CD2-CE1 3.47Å; F227-Y248 AromaticContact CD2-CE2 3.83Å; F227-Y248 HydrophobicContact CD2-CE2 3.83Å; F227-Y248 HydrophobicContact CD2-CG 4.12Å; F227-Y248 AromaticContact CD2-CZ 3.49Å; F227-Y248 VanDerWaalsContact CD2-CZ 3.49Å; F227-Y248 HydrophobicContact CE2-CD2 4.49Å; F227-Y248 HydrophobicContact CE2-CE1 4.35Å; F227-Y248 AromaticContact CE2-CE2 3.99Å; F227-Y248 HydrophobicContact CE2-CE2 3.99Å; F227-Y248 AromaticContact CE2-CZ 3.91Å; F227-Y248 HydrophobicContact CG-CD1 4.41Å; F227-Y248 HydrophobicContact CG-CE1 4.04Å
228M95.2Very high91.4Very high3 Ų361 Ų612%0.01530%0.3CS..EExtended strand (participates in β ladder)trans-105.9121.3179.9-164.8170.777.900109.2D125 M146 C167 V169 Y197 E246 D247D125-M228 WeakPolarHBondContact OD2-CE 3.34Å; M146-M228 HydrophobicContact CE-SD 3.53Å; M146-M228 VanDerWaalsContact CE-SD 3.53Å; C167-M228 WeakPolarHBondContact SG-CG 3.48Å; V169-M228 HydrophobicContact CG2-CG 4.31Å; Y197-M228 VanDerWaalsContact OH-CE 3.29Å; Y197-M228 WeakPolarHBondContact OH-CE 3.35Å; M228-E246 WeakPolarHBondContact O-CA 3.2Å; M228-D247 PolarHBondContact N-O 3.29Å; M228-D247 PolarHBondContact O-N 2.9Å; M228-D247 VanDerWaalsContact O-N 3.12Å
229Q96.3Very high91.3Very high64 Ų6457.9 Ų57.930%0.29929%0.288SS..EExtended strand (participates in β ladder)trans-112.6109.9175.2-176.1177.857.400108.7C167 Q168 L170 F227 E246C167-Q229 CarbonylContact C-O 3.55Å; C167-Q229 WeakPolarHBondContact CA-O 3.49Å; Q168-Q229 PolarHBondContact N-O 3.43Å; Q168-Q229 PolarHBondContact O-N 2.85Å; L170-Q229 HydrophobicContact CD1-CB 4.39Å; F227-Q229 HydrophobicContact CE1-CB 4.12Å; Q229-E246 HydrophobicContact CB-CG 4.43Å; Q229-E246 HydrophobicContact CG-CG 4.03Å; Q229-E246 PolarHBondContact NE2-OE1 3.49Å
230T95.8Very high91.6Very high1 Ų158 Ų581%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-115.7120-177-59.80000110.1L150 V165 S166 C167 V232 S244 L245L150-T230 HydrophobicContact CD1-CG2 3.95Å; L150-T230 HydrophobicContact CD2-CG2 4.3Å; V165-T230 HydrophobicContact CG1-CG2 4.14Å; S166-T230 CarbonylContact O-C 3.49Å; S166-T230 WeakPolarHBondContact O-CA 3.24Å; C167-T230 PolarHBondContact SG-OG1 2.82Å; C167-T230 VanDerWaalsContact SG-OG1 3.34Å; T230-V232 HydrophobicContact CG2-CG2 4.43Å; T230-S244 CarbonylContact O-C 3.55Å; T230-S244 WeakPolarHBondContact O-CA 3.43Å; T230-L245 PolarHBondContact N-O 3.07Å; T230-L245 PolarHBondContact O-N 3.32Å
231S95.8Very high92Very high25 Ų2550.2 Ų50.218%0.17526%0.262CS..EExtended strand (participates in β ladder)trans-109124.5175.5171.90000110.2S166 Q242 N243S166-S231 PolarHBondContact N-O 3.31Å; S166-S231 PolarHBondContact O-N 3.15Å; S231-Q242 PolarHBondContact OG-NE2 2.86Å; S231-N243 WeakPolarHBondContact CA-O 3.22Å
232V96.1Very high92.3Very high0 Ų052.7 Ų52.70%027%0.269CS..EExtended strand (participates in β ladder)trans-109.5123.5175.7-179.10000109.2V123 L150 F152 V162 V165 T230 T234 Q242 N243V123-V232 HydrophobicContact CG1-CG2 4.01Å; L150-V232 HydrophobicContact CD1-CG2 4.28Å; F152-V232 HydrophobicContact CE1-CB 4.44Å; F152-V232 HydrophobicContact CE1-CG1 3.63Å; F152-V232 HydrophobicContact CE1-CG2 4.08Å; F152-V232 HydrophobicContact CZ-CG1 4.33Å; F152-V232 HydrophobicContact CZ-CG2 4.41Å; V162-V232 HydrophobicContact CG1-CG1 3.94Å; V165-V232 HydrophobicContact CG2-CG1 4.3Å; V165-V232 HydrophobicContact CG2-CG2 4.22Å; T230-V232 HydrophobicContact CG2-CG2 4.43Å; V232-T234 HydrophobicContact CG1-CG2 3.99Å; V232-Q242 WeakPolarHBondContact O-CA 3.43Å; V232-N243 PolarHBondContact N-O 3.36Å; V232-N243 PolarHBondContact O-N 2.79Å
233K95.5Very high92.3Very high74 Ų7454.4 Ų54.432%0.32228%0.278SS..EExtended strand (participates in β ladder)trans-101.8123170-167177.1-178.8-178.20109.6Q163 S164Q163-K233 HydrophobicContact CB-CB 4.49Å; Q163-K233 HydrophobicContact CB-CG 4.42Å; Q163-K233 PolarHBondContact N-O 2.02Å; S164-K233 PolarHBondContact N-O 3.08Å; S164-K233 PolarHBondContact O-N 3.18Å; S164-K233 WeakPolarHBondContact OG-CB 3.34Å
234T94.4Very high92.4Very high1 Ų154.3 Ų54.31%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-113.3149.4175.558.50000109.5V160 L161 V162 V232 T240 S241V160-T234 HydrophobicContact CG1-CG2 4.37Å; L161-T234 CarbonylContact O-C 3.49Å; L161-T234 WeakPolarHBondContact O-CA 3.43Å; V162-T234 HydrophobicContact CG2-CG2 4.48Å; V232-T234 HydrophobicContact CG1-CG2 3.99Å; T234-T240 CarbonylContact O-C 3.52Å; T234-T240 WeakPolarHBondContact O-CA 3.38Å; T234-S241 PolarHBondContact N-O 2.83Å; T234-S241 PolarHBondContact O-N 2.91Å; T234-S241 PolarHBondContact OG1-O 2.76Å
235S93.1Very high92.4Very high17 Ų1756.1 Ų56.112%0.11929%0.294CS..EExtended strand (participates in β ladder)trans-131.4139.1172.462.70000111.1L161 Q163 R239L161-S235 PolarHBondContact N-O 2.8Å; L161-S235 PolarHBondContact O-N 2.85Å; Q163-S235 VanDerWaalsContact CD-CB 3.42Å; Q163-S235 WeakPolarHBondContact CG-OG 3.36Å; Q163-S235 PolarHBondContact NE2-OG 2.87Å; Q163-S235 VanDerWaalsContact NE2-OG 3.14Å; S235-R239 WeakPolarHBondContact CA-O 3.46Å
236Y89.4Confident92.5Very high21 Ų2158.8 Ų58.88%0.08230%0.303CS..EExtended strand (participates in β ladder)trans-145133.9175.550.1-90.2000108.6P118 F158 V160 V238 R239P118-Y236 HydrophobicContact CB-CD2 4.13Å; P118-Y236 HydrophobicContact CB-CE2 3.38Å; P118-Y236 HydrophobicContact CG-CE2 4.01Å; F158-Y236 AromaticContact CE2-CD2 3.95Å; F158-Y236 HydrophobicContact CE2-CD2 3.95Å; F158-Y236 AromaticContact CE2-CG 3.9Å; F158-Y236 HydrophobicContact CE2-CG 3.9Å; F158-Y236 HydrophobicContact CZ-CD2 4.17Å; V160-Y236 HydrophobicContact CG1-CD1 4.25Å; Y236-V238 PolarHBondContact O-N 2.89Å; Y236-R239 HydrophobicContact CD2-CB 4.42Å; Y236-R239 HydrophobicContact CE2-CB 3.9Å; Y236-R239 HydrophobicContact CE2-CG 4.43Å; Y236-R239 PolarHBondContact N-O 3Å; Y236-R239 PolarHBondContact O-N 3.28Å; Y236-R239 VanDerWaalsContact O-O 3.1Å
237M83.1Confident92.4Very high148 Ų14862.6 Ų62.673%0.72932%0.323SS*.THydrogen-bonded Turntrans52.3-107.2-174.4-52.2178.982.500111.3
238V81.7Confident92.3Very high151 Ų15168 Ų6892%0.91534%0.343SS*.THydrogen-bonded Turntrans-113.5-4.9-179.5-173.80000112.1Y236Y236-V238 PolarHBondContact O-N 2.89Å
239R85.6Confident92.2Very high162 Ų16268.8 Ų68.861%0.61135%0.347SS*.EExtended strand (participates in β ladder)trans-102.2143.7-175.9-165.6170.8-180-171.9-0.4110.7S235 Y236S235-R239 WeakPolarHBondContact CA-O 3.46Å; Y236-R239 HydrophobicContact CD2-CB 4.42Å; Y236-R239 HydrophobicContact CE2-CB 3.9Å; Y236-R239 HydrophobicContact CE2-CG 4.43Å; Y236-R239 PolarHBondContact N-O 3Å; Y236-R239 PolarHBondContact O-N 3.28Å; Y236-R239 VanDerWaalsContact O-O 3.1Å
240T91.1Very high92Very high72 Ų7274.2 Ų74.244%0.44237%0.366SS..EExtended strand (participates in β ladder)trans-109.9143.9167.758.50000109.2T234T234-T240 CarbonylContact O-C 3.52Å; T234-T240 WeakPolarHBondContact O-CA 3.38Å
241S90.4Very high91.9Very high33 Ų3374.6 Ų74.623%0.23137%0.368CS..EExtended strand (participates in β ladder)trans-130.7140.4175.8-173.20000108.8T234T234-S241 PolarHBondContact N-O 2.83Å; T234-S241 PolarHBondContact O-N 2.91Å; T234-S241 PolarHBondContact OG1-O 2.76Å
242Q93Very high91.7Very high133 Ų13374.6 Ų74.662%0.62137%0.366SS*.EExtended strand (participates in β ladder)trans-123.2130.7-179.8-175.2175.4-6.400109.5S231 V232S231-Q242 PolarHBondContact OG-NE2 2.86Å; V232-Q242 WeakPolarHBondContact O-CA 3.43Å
243N91.9Very high91.6Very high48 Ų4874.6 Ų74.626%0.25737%0.366SS..EExtended strand (participates in β ladder)trans-121.6132.5175.6-69-26.6000108.7V121 V123 S231 V232V121-N243 PolarHBondContact O-ND2 2.93Å; V121-N243 VanDerWaalsContact O-ND2 3.14Å; V123-N243 HydrophobicContact CG2-CB 4.47Å; S231-N243 WeakPolarHBondContact CA-O 3.22Å; V232-N243 PolarHBondContact N-O 3.36Å; V232-N243 PolarHBondContact O-N 2.79Å
244S93.6Very high91.4Very high85 Ų8572.3 Ų72.359%0.59436%0.363SS*.EExtended strand (participates in β ladder)trans-110.2136.1174.5520000110.6T230T230-S244 CarbonylContact O-C 3.55Å; T230-S244 WeakPolarHBondContact O-CA 3.43Å
245L94.1Very high91.1Very high46 Ų4674.8 Ų74.824%0.24138%0.381CS..EExtended strand (participates in β ladder)trans-118.4136.2175.7-67.1162.9000108V123 L150 T230V123-L245 HydrophobicContact CB-CD1 4.11Å; V123-L245 HydrophobicContact CG1-CD1 3.58Å; L150-L245 HydrophobicContact CD2-CD1 3.92Å; T230-L245 PolarHBondContact N-O 3.07Å; T230-L245 PolarHBondContact O-N 3.32Å
246E94.9Very high90.9Very high111 Ų11179 Ų7952%0.51940%0.402SS..EExtended strand (participates in β ladder)trans-136.4122.9-177.8-70.9-177.6177.900108.6F227 M228 Q229F227-E246 HydrophobicContact CE1-CG 4.46Å; F227-E246 HydrophobicContact CE2-CB 3.94Å; F227-E246 HydrophobicContact CZ-CB 3.68Å; F227-E246 HydrophobicContact CZ-CG 3.78Å; M228-E246 WeakPolarHBondContact O-CA 3.2Å; Q229-E246 HydrophobicContact CB-CG 4.43Å; Q229-E246 HydrophobicContact CG-CG 4.03Å; Q229-E246 PolarHBondContact NE2-OE1 3.49Å
247D93.3Very high90.8Very high81 Ų8179.3 Ų79.343%0.43341%0.406SS..EExtended strand (participates in β ladder)trans-148.3156.7178.1-160.313.2000112.1M228 H249M228-D247 PolarHBondContact N-O 3.29Å; M228-D247 PolarHBondContact O-N 2.9Å; M228-D247 VanDerWaalsContact O-N 3.12Å; D247-H249 IonicContact OD2-CE1 3.89Å; D247-H249 PolarHBondContact OD2-CE1 3.16Å; D247-H249 IonicContact OD2-ND1 3.82Å
248Y93.8Very high90.8Very high152 Ų15277.8 Ų77.860%0.59641%0.405SS*.EExtended strand (participates in β ladder)trans-101.3131.1175.2-68.1-86.3000110.1V225 V226 F227V225-Y248 HydrophobicContact CG1-CD1 3.9Å; V226-Y248 WeakPolarHBondContact O-CA 3.34Å; F227-Y248 HydrophobicContact CB-CD1 4.05Å; F227-Y248 HydrophobicContact CB-CE1 3.89Å; F227-Y248 AromaticContact CD2-CD1 3.8Å; F227-Y248 HydrophobicContact CD2-CD1 3.8Å; F227-Y248 HydrophobicContact CD2-CD2 4.13Å; F227-Y248 AromaticContact CD2-CE1 3.47Å; F227-Y248 HydrophobicContact CD2-CE1 3.47Å; F227-Y248 VanDerWaalsContact CD2-CE1 3.47Å; F227-Y248 AromaticContact CD2-CE2 3.83Å; F227-Y248 HydrophobicContact CD2-CE2 3.83Å; F227-Y248 HydrophobicContact CD2-CG 4.12Å; F227-Y248 AromaticContact CD2-CZ 3.49Å; F227-Y248 VanDerWaalsContact CD2-CZ 3.49Å; F227-Y248 HydrophobicContact CE2-CD2 4.49Å; F227-Y248 HydrophobicContact CE2-CE1 4.35Å; F227-Y248 AromaticContact CE2-CE2 3.99Å; F227-Y248 HydrophobicContact CE2-CE2 3.99Å; F227-Y248 AromaticContact CE2-CZ 3.91Å; F227-Y248 HydrophobicContact CG-CD1 4.41Å; F227-Y248 HydrophobicContact CG-CE1 4.04Å
249H92.8Very high90.5Very high20 Ų2075.9 Ų75.99%0.09339%0.386CS..EExtended strand (participates in β ladder)trans-122.1135.7177.8-60.9-50.4000111.9D125 I128 V225 V226 D247D125-H249 IonicContact OD2-NE2 3.32Å; I128-H249 HydrophobicContact CD1-CB 3.53Å; I128-H249 HydrophobicContact CG1-CB 4.49Å; V225-H249 WeakPolarHBondContact CA-O 3.48Å; V226-H249 HydrophobicContact CG2-CB 4.19Å; V226-H249 PolarHBondContact N-O 2.82Å; V226-H249 PolarHBondContact O-N 3.26Å; D247-H249 IonicContact OD2-CE1 3.89Å; D247-H249 PolarHBondContact OD2-CE1 3.16Å; D247-H249 IonicContact OD2-ND1 3.82Å
250Y92.4Very high89Confident178 Ų17873.5 Ų73.570%0.69839%0.391SS*.EExtended strand (participates in β ladder)trans-87.5125.2169.9-66.5-91.8000108.8I224 V225I224-Y250 WeakPolarHBondContact O-CA 3.41Å; V225-Y250 HydrophobicContact CG2-CD1 3.5Å; V225-Y250 HydrophobicContact CG2-CE1 3.28Å; V225-Y250 HydrophobicContact CG2-CG 4.3Å
251I92.9Very high86.8Confident8 Ų873 Ų734%0.04140%0.395CS..EExtended strand (participates in β ladder)trans-124.9127.9-178.7-62.3178.5000108.2I128 V131 M144 M146 N223 I224 V226 C253I128-I251 HydrophobicContact CD1-CD1 4.32Å; I128-I251 HydrophobicContact CD1-CG1 4.13Å; V131-I251 HydrophobicContact CB-CG2 4.3Å; V131-I251 HydrophobicContact CG1-CG2 3.82Å; V131-I251 HydrophobicContact CG2-CG2 4.1Å; M144-I251 HydrophobicContact SD-CG2 4.21Å; M146-I251 HydrophobicContact SD-CD1 3.76Å; N223-I251 CarbonylContact C-O 3.57Å; N223-I251 WeakPolarHBondContact CA-O 3.01Å; I224-I251 HydrophobicContact CG1-CB 4.2Å; I224-I251 WeakPolarHBondContact CG1-O 3.47Å; I224-I251 PolarHBondContact N-O 3.15Å; I224-I251 PolarHBondContact O-N 3.42Å; V226-I251 HydrophobicContact CB-CD1 4.46Å; V226-I251 HydrophobicContact CG1-CD1 4.2Å; V226-I251 HydrophobicContact CG2-CD1 3.41Å; V226-I251 VanDerWaalsContact CG2-CD1 3.41Å; V226-I251 HydrophobicContact CG2-CG1 4.17Å; I251-C253 PolarHBondContact O-N 3.45Å
252D92.8Very high84.5Confident26 Ų2678.7 Ų78.714%0.13942%0.422CS..EExtended strand (participates in β ladder)trans-76.6111.8166.5-177.415.8000109.2H222 G254 S255 T257H222-D252 WeakPolarHBondContact CA-OD1 3.48Å; H222-D252 PolarHBondContact N-OD1 3.33Å; D252-G254 VanDerWaalsContact C-N 3.33Å; D252-G254 PolarHBondContact OD1-N 3.2Å; D252-S255 PolarHBondContact OD2-OG 3.28Å; D252-T257 HydrophobicContact CB-CG2 4.16Å
253C93.2Very high81.7Confident0 Ų078.6 Ų78.60%043%0.43CS..SBendtrans-88.70.8178.2680000113.2V133 F135 V142 M144 C214 H222 I224 I251V133-C253 WeakPolarHBondContact CG1-O 3.25Å; F135-C253 WeakPolarHBondContact CE1-O 3.34Å; F135-C253 WeakPolarHBondContact CZ-O 3.19Å; V142-C253 HydrophobicContact CG1-CB 4.48Å; M144-C253 HydrophobicContact SD-CB 4.15Å; C214-C253 VanDerWaalsContact CA-SG 3.6Å; C214-C253 HydrophobicContact CB-CB 3.91Å; C214-C253 WeakPolarHBondContact CB-O 3.48Å; C214-C253 WeakPolarHBondContact CB-SG 3.5Å; C214-C253 WeakPolarHBondContact SG-CB 3.38Å; C214-C253 CovalentContact SG-SG 2.02Å; C214-C253 PolarHBondContact SG-SG 3.43Å; H222-C253 VanDerWaalsContact CB-SG 3.55Å; H222-C253 PolarHBondContact O-N 3.27Å; H222-C253 PolarHBondContact O-SG 3.29Å; I224-C253 HydrophobicContact CD1-CB 4.1Å; I224-C253 HydrophobicContact CG1-CB 4.3Å; I251-C253 PolarHBondContact O-N 3.45Å
254G91.3Very high79Confident25 Ų2581.3 Ų81.326%0.25845%0.453SS..SBendtrans-90.1-22.217900000113.7H222 D252H222-G254 WeakPolarHBondContact ND1-CA 3.04Å; D252-G254 VanDerWaalsContact C-N 3.33Å; D252-G254 PolarHBondContact OD1-N 3.2Å
255S87.9Confident76.1Confident54 Ų5481.2 Ų81.238%0.37845%0.453SS..SBendtrans-145.2157.6-171.676.50000112.6V133 D252V133-S255 WeakPolarHBondContact CG2-O 3.21Å; D252-S255 PolarHBondContact OD2-OG 3.28Å
256N90.4Very high73.2Confident105 Ų10584.9 Ų84.956%0.56148%0.477SS*.  trans-72.5130.1172.5-68.6-23.6000109.5V131 V133V131-N256 WeakPolarHBondContact O-CA 3.4Å; V133-N256 PolarHBondContact N-OD1 2.7Å; V133-N256 PolarHBondContact O-OD1 3.08Å
257T87Confident70.3Confident28 Ų2885.2 Ų85.217%0.17249%0.487CS..EExtended strand (participates in β ladder)trans-117.5132.3177.757.10000110.3S130 V131 D252S130-T257 CarbonylContact C-O 3.51Å; S130-T257 VanDerWaalsContact CA-O 3.22Å; S130-T257 WeakPolarHBondContact CA-O 3.31Å; V131-T257 WeakPolarHBondContact CB-OG1 3.49Å; V131-T257 PolarHBondContact N-O 2.91Å; V131-T257 PolarHBondContact O-N 2.83Å; D252-T257 HydrophobicContact CB-CG2 4.16Å
258T83.4Confident67.5Low116 Ų11686.5 Ų86.571%0.71250%0.498SS*.EExtended strand (participates in β ladder)trans-128.3111.6170.840.90000107.8
259H74.2Confident64.8Low111 Ų11184.8 Ų84.851%0.51451%0.505SS..  trans-87.6120.6172.1-65-66.3000108.3R129 A261R129-H259 PolarHBondContact O-N 2.99Å; R129-H259 VanDerWaalsContact O-O 3.1Å; H259-A261 PolarHBondContact O-N 2.85Å
260P53.8Low62.1Low111 Ų11189.6 Ų89.672%0.72154%0.538SS*.  trans-57.3139.8162.824-29.2000107.8L262P260-L262 PolarHBondContact O-N 2.74Å
261A45.7Very low59.6Low63 Ų6387.3 Ų87.352%0.52155%0.548SS..  trans-51.5111.4-179.200000108.6H259 T263H259-A261 PolarHBondContact O-N 2.85Å; A261-T263 PolarHBondContact O-N 2.81Å
262L41.3Very low56.9Low151 Ų15190.2 Ų90.279%0.79158%0.581SS**  trans-65.3106.8177.9-159.978.5000105.9P260 S264P260-L262 PolarHBondContact O-N 2.74Å; L262-S264 PolarHBondContact O-N 2.81Å
263T34.6Very low54.3Low131 Ų131100.3 Ų100.380%0.80462%0.617SS**  trans-52.9116.1162.225.20000106.2A261 S265A261-T263 PolarHBondContact O-N 2.81Å; T263-S265 PolarHBondContact O-N 2.84Å
264S35.1Very low51.6Low105 Ų105110.1 Ų110.173%0.73466%0.66SS**  trans-44.2102.9-177.153.40000111.2L262 T266L262-S264 PolarHBondContact O-N 2.81Å; S264-T266 PolarHBondContact O-N 2.93Å
265S33Very low49.1Very low84 Ų84118 Ų11859%0.58769%0.689SS**  trans-71.3100.7162.454.20000106.5T263 T267T263-S265 PolarHBondContact O-N 2.84Å; S265-T267 VanDerWaalsContact C-N 3.28Å; S265-T267 PolarHBondContact O-N 3.05Å; S265-T267 PolarHBondContact O-OG1 2.68Å
266T34.3Very low46.8Very low122 Ų122123.3 Ų123.375%0.74871%0.708SS**  trans-51.495.6164.1-55.10000108.2S264 T268S264-T266 PolarHBondContact O-N 2.93Å; T266-T268 PolarHBondContact O-N 2.78Å
267T33Very low44.1Very low119 Ų119125.7 Ų125.773%0.7372%0.721SS**  trans-84.595.5167.5-53.70000105.6S265S265-T267 VanDerWaalsContact C-N 3.28Å; S265-T267 PolarHBondContact O-N 3.05Å; S265-T267 PolarHBondContact O-OG1 2.68Å
268T34.8Very low42.1Very low108 Ų108135.2 Ų135.266%0.66375%0.754SS**PPolyproline II helixtrans-54.5129.2162.931.30000108.6T266T266-T268 PolarHBondContact O-N 2.78Å
269P37.1Very low40.1Very low115 Ų115138.7 Ų138.775%0.74776%0.76SS**PPolyproline II helixtrans-67.4138.2173.826.7-31.1000109S271P269-S271 PolarHBondContact O-N 3.35Å
270P35.8Very low38.9Very low121 Ų121147.1 Ų147.179%0.78680%0.795SS**PPolyproline II helixtrans-65.7134.5173.226.4-30.8000109.6G272P270-G272 PolarHBondContact O-N 3.36Å
271S40.3Very low38.2Very low130 Ų130148.9 Ų148.991%0.90980%0.799SS**  trans-50.698.5170176.90000110.6P269P269-S271 PolarHBondContact O-N 3.35Å
272G35.6Very low37.8Very low70 Ų70153.4 Ų153.472%0.72281%0.813SS**  trans-88108175.200000110.6P270 K274P270-G272 PolarHBondContact O-N 3.36Å; G272-K274 PolarHBondContact O-N 2.9Å
273R37.8Very low37.6Very low238 Ų238153.6 Ų153.690%0.89882%0.815SS**  trans-39.7124.1173.4-169.4179-88.5176.5-9.2112.4Q275R273-Q275 PolarHBondContact O-N 3.15Å
274K36.5Very low37.8Very low206 Ų206154.9 Ų154.990%0.89682%0.815SS**  trans-50.3111.9169.9-75.3-178.5177.2-178.70109.9G272G272-K274 PolarHBondContact O-N 2.9Å
275Q39.4Very low38Very low189 Ų189158 Ų15888%0.88382%0.82SS**  trans-85.5112.1164.7-154.8154.43.500107.3R273 N277R273-Q275 PolarHBondContact O-N 3.15Å; Q275-N277 PolarHBondContact O-N 2.75Å
276Q39.2Very low38.3Very low167 Ų167162.9 Ų162.978%0.7884%0.836SS**  trans-73.4107.3-178.2-171.6160.813.700108.8R278Q276-R278 PolarHBondContact O-N 2.92Å; Q276-R278 VanDerWaalsContact O-N 3.07Å
277N34.3Very low38.6Very low154 Ų154165.9 Ų165.982%0.82484%0.842SS**  trans-61.6106.8163.6-83.3-3.2000108.2Q275Q275-N277 PolarHBondContact O-N 2.75Å
278R46Very low39Very low228 Ų228169.5 Ų169.586%0.8685%0.851SS**  trans-88.3123.1157.3-85.5-167-172.8-164.33.2108Q276Q276-R278 PolarHBondContact O-N 2.92Å; Q276-R278 VanDerWaalsContact O-N 3.07Å
279F39.9Very low39.3Very low190 Ų190174.6 Ų174.683%0.83387%0.866SS**  trans-47.2132.4156.6-72.8-99000110.6
280F50.3Low39.6Very low287 Ų287180 Ų180100%1.25988%0.877SS**  -157.30119.1-87.8-71.7000108.1

Retrieved 280 of 280 residues in 365.1 ms (Link to these results)