A0A087Y8E5_POEFO Loading...

Cysteine and glycine-rich protein 1

Could play a role in neuronal development.

AlphaFold DB , UniProt , Accession A0A087Y8E5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 269 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
1M33.4Very low34.5Very low236 Ų236131.6 Ų131.6100%1.16379%0.79SS**  0127.80-59-71.2-176.800106.8
2P44.2Very low34.6Very low114 Ų114131.8 Ų131.874%0.7478%0.777SS**  cis-103.4158.2-14.24.920.8000110.7
3S33.2Very low34.9Very low101 Ų101130.2 Ų130.271%0.70678%0.777SS**  68.3142.373.7-33.70000112
4L33.2Very low35.2Very low146 Ų146127.6 Ų127.676%0.76478%0.776SS**  cis-179.4162.33.8-118.4163.5000104.1
5L34.7Very low35.7Very low140 Ų140128.2 Ų128.273%0.73378%0.78SS**  trans7986.5150.6-65.1152.8000119.3
6T31.5Very low35.4Very low127 Ų127128 Ų12878%0.77978%0.784SS**  14.4119.2105.5-40.80000117.6
7A30.7Very low35.2Very low105 Ų105127.2 Ų127.287%0.86879%0.785SS**  trans-122.1115.3144.500000108.6
8A32.3Very low35.3Very low80 Ų80131.2 Ų131.266%0.66179%0.79SS**  trans-101.6-177.8157.900000107.3
9P51.5Low35.2Very low119 Ų119130.5 Ų130.577%0.77379%0.792SS**  cis-127.4165-43.528.8-11.5000110.4
10C25.6Very low35.9Very low117 Ų117128.5 Ų128.579%0.79178%0.784SS**  trans-154.5115.1147.6-140.10000111.9
11F29.5Very low36.2Very low163 Ų163129.8 Ų129.872%0.71579%0.787SS**  trans81.998.4146.2-96.4-109.1000120.9
12Q35.2Very low36.6Very low134 Ų134127.3 Ų127.363%0.62677%0.772SS**  5599.5128.5-94.191.9-20.200118.5
13S38.8Very low36Very low111 Ų111128.4 Ų128.478%0.77678%0.776SS**  44.9102120.1630000118.2
14A38.4Very low35.9Very low93 Ų93128 Ų12877%0.76977%0.773SS**  trans-151.692134.100000109.2C16A14-C16 PolarHBondContact O-N 3.35Å
15T43.8Very low35.7Very low137 Ų137129.8 Ų129.884%0.8478%0.783SS**  trans-57.9117.4150.9450000107.6
16C29.9Very low35.7Very low125 Ų125133.9 Ų133.985%0.84579%0.79SS**  trans-133103161-90.40000109.6A14A14-C16 PolarHBondContact O-N 3.35Å
17S33Very low36Very low115 Ų115136.5 Ų136.580%0.80479%0.793SS**  trans-54.6151.6169.9-560000112.6S19S17-S19 PolarHBondContact O-N 3.29Å
18F35.8Very low36.1Very low198 Ų198135.8 Ų135.887%0.86879%0.787SS**  trans-47.7124.2165.7-138.5-102.8000111.7
19S34.6Very low36.6Very low118 Ų118137.6 Ų137.683%0.82579%0.792SS**  trans-151.1126.4144.1-166.60000109.7S17S17-S19 PolarHBondContact O-N 3.29Å
20S48.4Very low36.1Very low91 Ų91142.5 Ų142.564%0.63680%0.796SS**  trans-62.1151.3179.8-59.70000112.1
21N42.2Very low36.4Very low156 Ų156145.5 Ų145.583%0.83480%0.795SS**SBendtrans89.2107.4167.4-86-32.8000118.4
22Q42.6Very low36.7Very low184 Ų184144.9 Ų144.986%0.8680%0.799SS**  trans74.8126.3164.4-59.4-154.6-11.400117.2
23V31.3Very low37Very low137 Ų137143.5 Ų143.583%0.8380%0.804SS**  -153.7126.5117.9176.80000109.7
24S30.9Very low37.1Very low92 Ų92145.6 Ų145.664%0.64381%0.806SS**  trans12.8129.7144.3-48.90000120.3Y26S24-Y26 PolarHBondContact O-N 3.04Å
25L29.9Very low37.5Very low183 Ų183148 Ų14896%0.95881%0.811SS**  trans-68.6113.9155.4-66.5172.3000108.6
26Y33.3Very low37.5Very low226 Ų226144.6 Ų144.689%0.88680%0.797SS**  trans-101.6140.3162.9-118.9-93.5000108.8S24S24-Y26 PolarHBondContact O-N 3.04Å
27E37.7Very low38.3Very low182 Ų182150.3 Ų150.385%0.8580%0.8SS**  trans-99.8144.7-169.1-151.3164127.300112.3
28A34.6Very low38.8Very low90 Ų90153.8 Ų153.874%0.74480%0.801SS**  trans73.8157.7158.400000119.2
29P42.5Very low38.9Very low118 Ų118150 Ų15077%0.76680%0.798SS**  cis-134158.79.837.1-17000117.5
30R39.7Very low39Very low223 Ų223150.4 Ų150.484%0.84280%0.8SS**  trans16.5120.4149.6-52.9-166.4165.7177.4-3119.9
31F32.6Very low38.9Very low179 Ų179153.1 Ų153.179%0.78581%0.806SS**  174137.297.5-108.7-89.2000112.6
32L35.5Very low39Very low150 Ų150151.3 Ų151.379%0.78580%0.803SS**  trans74.8101.2152.8-114.974.8000122.3
33S42.3Very low39.2Very low106 Ų106153.8 Ų153.874%0.74181%0.805SS**  65.4132.8129.7-154.40000121.9
34L40.8Very low40Very low155 Ų155151.4 Ų151.481%0.81281%0.807SS**  trans73.984.3171.3-99.771.2000117.3A36L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3.45Å
35T45.9Very low40.8Very low143 Ų143151 Ų15188%0.87780%0.804SS**  trans-68.383.4158.445.80000110.7
36A44.2Very low41.4Very low65 Ų65150.4 Ų150.454%0.53780%0.801SS.*  trans-85.8104.6156.400000107.9L34 F38L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3.45Å; A36-F38 HydrophobicContact CB-CD2 4.12Å; A36-F38 HydrophobicContact CB-CE2 3.82Å; A36-F38 PolarHBondContact O-N 3.23Å; A36-F38 VanDerWaalsContact O-N 3.15Å
37R46.7Very low42.2Very low245 Ų245148.7 Ų148.793%0.92580%0.795SS**  trans-76.798.1168.5-74-164.6175.5-153.20.1108.3C39R37-C39 PolarHBondContact O-N 3.46Å
38F43.5Very low42.8Very low188 Ų188147.5 Ų147.583%0.82579%0.792SS**  trans-74.5114.5166.5-79-88.8000109A36A36-F38 HydrophobicContact CB-CD2 4.12Å; A36-F38 HydrophobicContact CB-CE2 3.82Å; A36-F38 PolarHBondContact O-N 3.23Å; A36-F38 VanDerWaalsContact O-N 3.15Å
39C37.5Very low43.6Very low118 Ų118148.6 Ų148.680%0.79779%0.785SS**  trans-88.6109.7169.2-150.30000107.9R37 L41R37-C39 PolarHBondContact O-N 3.46Å; C39-L41 PolarHBondContact O-N 3.16Å
40C36.8Very low44.4Very low127 Ų127146.7 Ų146.786%0.85877%0.771SS**  trans-68.3116170.6-84.50000109.6
41L46.9Very low45.3Very low149 Ų149141.5 Ų141.578%0.7877%0.767SS**  trans-95.6142.4164-119.375.2000109.9C39 R43C39-L41 PolarHBondContact O-N 3.16Å; L41-R43 PolarHBondContact O-N 3.46Å; L41-R43 VanDerWaalsContact O-N 3.13Å
42P43.9Very low46.3Very low117 Ų117140.4 Ų140.476%0.7676%0.764SS**SBendtrans-89.678.8-177.635.7-29.2000109.2
43R46.7Very low47.4Very low237 Ų237134.9 Ų134.989%0.89474%0.74SS**SBendtrans174.8110.3159.5-97.2150.2-169.1-157.84108.1L41 S45L41-R43 PolarHBondContact O-N 3.46Å; L41-R43 VanDerWaalsContact O-N 3.13Å; R43-S45 PolarHBondContact O-N 3.01Å
44G49Very low48.2Very low86 Ų86134.2 Ų134.289%0.88773%0.728SS**  trans-56101-174.300000114.6
45S46.4Very low49Very low83 Ų83132.5 Ų132.558%0.5872%0.719SS**  trans-150.6120.8154.8-87.90000109.9R43 Y47R43-S45 PolarHBondContact O-N 3.01Å; S45-Y47 PolarHBondContact O-N 2.97Å
46L42.8Very low49.5Very low171 Ų171131.3 Ų131.390%0.89571%0.706SS**  trans-68.2118.9166.5-103.390.3000108.3
47Y49.8Very low50.2Low191 Ų191134.8 Ų134.875%0.74971%0.71SS**  trans-110.6120.2161.9-69.7-84.3000108.5S45 L49S45-Y47 PolarHBondContact O-N 2.97Å; Y47-L49 PolarHBondContact O-N 2.9Å
48I51.4Low50.7Low156 Ų156129.7 Ų129.780%0.870%0.695SS**  trans-73.3105.7168.3-63162.4000106T50I48-T50 PolarHBondContact O-N 2.84Å; I48-T50 VanDerWaalsContact O-N 3.09Å
49L51.3Low51.3Low114 Ų114125.4 Ų125.460%0.59768%0.679SS**  trans-70.5105.1172.9-86.890.1000108.6Y47 A53 L54Y47-L49 PolarHBondContact O-N 2.9Å; L49-A53 HydrophobicContact CD2-CB 4.32Å; L49-A53 HydrophobicContact CG-CB 4.4Å; L49-L54 HydrophobicContact CD2-CG 4.44Å
50T59.2Low52.2Low77 Ų77124.4 Ų124.447%0.47267%0.67SS.*  trans-62.2150.1164.955.80000109.3I48 Q52 A53I48-T50 PolarHBondContact O-N 2.84Å; I48-T50 VanDerWaalsContact O-N 3.09Å; T50-Q52 PolarHBondContact O-N 3.46Å; T50-A53 PolarHBondContact O-N 2.93Å
51P58.5Low53.1Low114 Ų114124.5 Ų124.574%0.7466%0.658SS**Hα-helixtrans-57.6-16.6-179.320.2-31.7000114
52Q54.3Low53.2Low156 Ų156125.3 Ų125.373%0.72966%0.655SS**Hα-helixtrans-71.5-29.5171.8-88.8173.8-26.200114.2T50 L55 L56T50-Q52 PolarHBondContact O-N 3.46Å; Q52-L55 PolarHBondContact O-N 3.47Å; Q52-L56 PolarHBondContact O-N 2.08Å
53A58.6Low53.5Low35 Ų35126.1 Ų126.129%0.28965%0.652SS.*Hα-helixtrans-76-29.6-178.500000113L49 T50 L55 F57L49-A53 HydrophobicContact CD2-CB 4.32Å; L49-A53 HydrophobicContact CG-CB 4.4Å; T50-A53 PolarHBondContact O-N 2.93Å; A53-L55 VanDerWaalsContact C-N 3.34Å; A53-F57 PolarHBondContact O-N 2.89Å
54L57.7Low53.6Low92 Ų92118.9 Ų118.948%0.48264%0.644SS.*Hα-helixtrans-67.5-34.9171.7-89.1163.1000111.8L49 L56 F57 F58L49-L54 HydrophobicContact CD2-CG 4.44Å; L54-L56 PolarHBondContact O-N 3.32Å; L54-F57 PolarHBondContact O-N 2.81Å; L54-F58 HydrophobicContact CD2-CE2 4.38Å; L54-F58 WeakPolarHBondContact O-CD2 3.18Å; L54-F58 PolarHBondContact O-N 3.33Å
55L57.1Low53.7Low119 Ų119123.8 Ų123.862%0.62364%0.64SS**Hα-helixtrans-65.7-37.4178.6-117.1159000112.2Q52 A53 F58 L59Q52-L55 PolarHBondContact O-N 3.47Å; A53-L55 VanDerWaalsContact C-N 3.34Å; L55-F58 PolarHBondContact O-N 3.03Å; L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.43Å; L55-L59 PolarHBondContact O-N 2.79Å
56L58.2Low54Low117 Ų117124.1 Ų124.161%0.61364%0.643SS**Hα-helixtrans-71.3-32.1174.4-66.6178.2000112.7Q52 L54 L59 T60Q52-L56 PolarHBondContact O-N 2.08Å; L54-L56 PolarHBondContact O-N 3.32Å; L56-L59 PolarHBondContact O-N 3.23Å; L56-T60 WeakPolarHBondContact O-CG2 3.46Å; L56-T60 PolarHBondContact O-N 2.98Å; L56-T60 VanDerWaalsContact O-N 3.08Å; L56-T60 PolarHBondContact O-OG1 3.04Å; L56-T60 VanDerWaalsContact O-OG1 3.08Å
57F58.7Low54.5Low138 Ų138121 Ų12161%0.60564%0.635SS**Hα-helixtrans-70.2-38174.3-129.8-85.9000112.2A53 L54 T60 H61A53-F57 PolarHBondContact O-N 2.89Å; L54-F57 PolarHBondContact O-N 2.81Å; F57-T60 PolarHBondContact O-OG1 2.83Å; F57-H61 PolarHBondContact O-N 3.42Å
58F56.8Low54.4Low139 Ų139119 Ų11961%0.6164%0.637SS**Hα-helixtrans-71.4-37173-87.8-80.4000111.8L54 L55 H61 F62L54-F58 HydrophobicContact CD2-CE2 4.38Å; L54-F58 WeakPolarHBondContact O-CD2 3.18Å; L54-F58 PolarHBondContact O-N 3.33Å; L55-F58 PolarHBondContact O-N 3.03Å; F58-H61 PolarHBondContact O-N 3.41Å; F58-F62 VanDerWaalsContact O-CB 3.26Å; F58-F62 WeakPolarHBondContact O-CB 3.29Å; F58-F62 PolarHBondContact O-N 3.14Å
59L55.2Low54.5Low97 Ų97117.8 Ų117.851%0.50864%0.643SS.*Hα-helixtrans-68.3-35.7179.4-153.874.4000112.6L55 L56 L63L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.43Å; L55-L59 PolarHBondContact O-N 2.79Å; L56-L59 PolarHBondContact O-N 3.23Å; L59-L63 HydrophobicContact CG-CD1 4.38Å; L59-L63 PolarHBondContact O-N 2.92Å
60T56.4Low54.5Low98 Ų98115.5 Ų115.560%0.60165%0.647SS**Hα-helixtrans-73.8-28.8173.955.40000112.8L56 F57L56-T60 WeakPolarHBondContact O-CG2 3.46Å; L56-T60 PolarHBondContact O-N 2.98Å; L56-T60 VanDerWaalsContact O-N 3.08Å; L56-T60 PolarHBondContact O-OG1 3.04Å; L56-T60 VanDerWaalsContact O-OG1 3.08Å; F57-T60 PolarHBondContact O-OG1 2.83Å
61H55.9Low53.9Low129 Ų129115.7 Ų115.760%0.59765%0.651SS**Hα-helixtrans-81.4-27.4173.2-96.4-80.1000114.2F57 F58F57-H61 PolarHBondContact O-N 3.42Å; F58-H61 PolarHBondContact O-N 3.41Å
62F49.9Very low53.4Low165 Ų165118.6 Ų118.672%0.72466%0.66SS**Hα-helixtrans-85.9-26.9-178.2-137.4-99.4000113F58 A64F58-F62 VanDerWaalsContact O-CB 3.26Å; F58-F62 WeakPolarHBondContact O-CB 3.29Å; F58-F62 PolarHBondContact O-N 3.14Å; F62-A64 VanDerWaalsContact C-N 3.28Å; F62-A64 PolarHBondContact O-N 3.33Å
63L49.2Very low53.3Low134 Ų134119 Ų11970%0.70267%0.666SS**THydrogen-bonded Turntrans-84.26.5171.7-68.7174.4000114.1L59L59-L63 HydrophobicContact CG-CD1 4.38Å; L59-L63 PolarHBondContact O-N 2.92Å
64A50.3Low53Low86 Ų86123.9 Ų123.971%0.71169%0.687SS**THydrogen-bonded Turntrans-99.8816900000113F62F62-A64 VanDerWaalsContact C-N 3.28Å; F62-A64 PolarHBondContact O-N 3.33Å
65K50.2Low52.5Low189 Ų189127.4 Ų127.482%0.82270%0.7SS**SBendtrans-130.341.2-173.3-151.7159.1-174.2174.90114
66S51.6Low52Low90 Ų90128.3 Ų128.363%0.62971%0.706SS**SBendtrans-151.160.6173.966.20000113.3
67S53.6Low51.8Low106 Ų106133 Ų13374%0.74172%0.715SS**SBendtrans-17680.2155.342.60000109.8
68D48.1Very low51.2Low147 Ų147133.6 Ų133.679%0.78672%0.722SS**  trans-161.346.4147.5-95.3-48.5000109.4G70D68-G70 PolarHBondContact O-N 3.05Å
69S54.7Low51.3Low132 Ų132132.5 Ų132.592%0.92373%0.729SS**  trans-81.574.8154.551.90000107.1
70G50.8Low51.4Low66 Ų66138.2 Ų138.268%0.6875%0.75SS**  trans-176.130.3-171.900000114.9D68D68-G70 PolarHBondContact O-N 3.05Å
71S47.2Very low51.6Low81 Ų81136.7 Ų136.757%0.56675%0.754SS**  trans-135.952.7172.382.80000112.7L73S71-L73 VanDerWaalsContact C-N 3.29Å
72L47.9Very low52.2Low174 Ų174134.8 Ų134.891%0.91177%0.769SS**SBendtrans-88.113164.7-88.5177.9000113.4
73L51.8Low53.4Low165 Ų165128.4 Ų128.486%0.86475%0.749SS**SBendtrans-142.916.5178.9-78.3-171.2000117.5S71S71-L73 VanDerWaalsContact C-N 3.29Å
74L50.9Low54.9Low138 Ų138125.9 Ų125.972%0.72374%0.737SS**  trans-153.478.1173.9-151.278.6000114.5
75Q48.7Very low56.6Low165 Ų165129 Ų12977%0.77173%0.734SS**  trans-137.238.2153.1-139.382.649.100112.3R77Q75-R77 PolarHBondContact O-N 2.82Å
76D46.4Very low58.4Low139 Ų139120.1 Ų120.174%0.74370%0.696SS**  trans-7953.6158.6-99.3-46.8000110.8
77R53.2Low59.7Low214 Ų214117.9 Ų117.981%0.80869%0.687SS**  trans-132.477.3163-70.6-160.7177.1166.12.8108Q75 P79Q75-R77 PolarHBondContact O-N 2.82Å; R77-P79 VanDerWaalsContact O-CD 3.27Å; R77-P79 WeakPolarHBondContact O-CD 3.44Å
78M46.6Very low61.1Low152 Ų152116.4 Ų116.475%0.74968%0.676SS**  trans-61.4114168.6-17.9176.5-177.400107.3F80M78-F80 PolarHBondContact O-N 3.4Å
79P59.7Low62.7Low115 Ų115111.2 Ų111.275%0.74765%0.651SS**  trans-62.3124.3166.326.3-30000106.7R77 G81R77-P79 VanDerWaalsContact O-CD 3.27Å; R77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-G81 PolarHBondContact O-N 3.22Å
80F57.1Low64Low218 Ų218112.3 Ų112.396%0.95664%0.641SS**SBendtrans-27.7107.2-177.1-74-86.7000112.7M78M78-F80 PolarHBondContact O-N 3.4Å
81G59.4Low65.6Low66 Ų66115.9 Ų115.968%0.6864%0.638SS**  trans-59.1133.1-162.200000113.9P79 G83P79-G81 PolarHBondContact O-N 3.22Å; G81-G83 PolarHBondContact O-N 3.02Å
82G69.1Low67.5Low88 Ų88114.8 Ų114.891%0.90763%0.628SS**  trans-67.181.9162.600000110.1
83G74.6Confident69.3Low31 Ų31106.7 Ų106.732%0.3259%0.586SS.*PPolyproline II helixtrans-77.3147.317100000111.4G81G81-G83 PolarHBondContact O-N 3.02Å
84N81.7Confident70.9Confident81 Ų81106.6 Ų106.643%0.43358%0.575SS.*PPolyproline II helixtrans-59.9141.8173.3-62.1-46.2000109.8T92 V93 S105N84-T92 WeakPolarHBondContact O-CA 3.4Å; N84-V93 PolarHBondContact O-N 3.1Å; N84-S105 WeakPolarHBondContact CB-OG 3.43Å
85K85.8Confident72.1Confident152 Ų152108.2 Ų108.266%0.66158%0.577SS**BIsolated β-bridgetrans-91.1137.9-178-60.6176.6-167.1-77.30110G87 S105K85-G87 PolarHBondContact O-N 3.45Å; K85-S105 PolarHBondContact O-OG 3.11Å
86C86.8Confident73.7Confident2 Ų2105.2 Ų105.21%0.01458%0.58CS.*BIsolated β-bridgetrans-66.6127.6176.3-175.10000111.1C88 C89 Q90 K91 V93 S105 H107C86-C88 PolarHBondContact O-N 2.93Å; C86-C88 PolarHBondContact SG-N 3.35Å; C86-C89 VanDerWaalsContact CB-SG 3.54Å; C86-C89 VanDerWaalsContact SG-SG 3.63Å; C86-Q90 WeakPolarHBondContact O-CA 3.37Å; C86-Q90 PolarHBondContact O-N 3.46Å; C86-K91 WeakPolarHBondContact CB-O 3.3Å; C86-K91 PolarHBondContact N-O 3.4Å; C86-V93 HydrophobicContact CB-CG2 3.62Å; C86-S105 VanDerWaalsContact CA-O 3.27Å; C86-S105 WeakPolarHBondContact CA-O 3.32Å; C86-H107 VanDerWaalsContact CB-CE1 3.45Å; C86-H107 WeakPolarHBondContact CB-CE1 3.43Å; C86-H107 WeakPolarHBondContact CB-ND1 3.14Å; C86-H107 PolarHBondContact SG-ND1 3.26Å
87G79.6Confident75.2Confident43 Ų43103.7 Ų103.744%0.44357%0.568SS.*THydrogen-bonded Turntrans-61.2-24.4174.900000114.2K85 S105 W106K85-G87 PolarHBondContact O-N 3.45Å; G87-S105 PolarHBondContact N-O 2.97Å; G87-W106 VanDerWaalsContact C-CZ3 3.44Å
88C82.5Confident76.7Confident75 Ų7595.8 Ų95.851%0.50754%0.541SS..THydrogen-bonded Turntrans-90.3-51.7-179-175.30000112.8C86 W106 C110C86-C88 PolarHBondContact O-N 2.93Å; C86-C88 PolarHBondContact SG-N 3.35Å; C88-W106 HydrophobicContact CB-CE3 3.73Å; C88-W106 HydrophobicContact CB-CZ3 3.64Å; C88-W106 VanDerWaalsContact N-CZ3 3.25Å; C88-C110 HydrophobicContact CB-CB 3.76Å
89C82.8Confident78.6Confident38 Ų3889.8 Ų89.826%0.25751%0.512SS..THydrogen-bonded Turntrans-112.70.2-170.474.40000114.1C86 K91 H107 C110C86-C89 VanDerWaalsContact CB-SG 3.54Å; C86-C89 VanDerWaalsContact SG-SG 3.63Å; C89-K91 PolarHBondContact O-N 2.95Å; C89-K91 WeakPolarHBondContact SG-CE 3.44Å; C89-H107 PolarHBondContact SG-CE1 3.15Å; C89-H107 PolarHBondContact SG-ND1 3.09Å; C89-C110 VanDerWaalsContact SG-SG 3.7Å
90Q81.2Confident79.8Confident155 Ų15590.6 Ų90.672%0.72451%0.506SS*.  trans59.7-1.3177.2-60.1164.410.400115.6C86C86-Q90 WeakPolarHBondContact O-CA 3.37Å; C86-Q90 PolarHBondContact O-N 3.46Å
91K85.8Confident80.9Confident141 Ų14180.8 Ų80.861%0.61347%0.465SS*.SBendtrans-71.9152.6172-69.1177.6-77-173.20110.3C86 C89 V93C86-K91 WeakPolarHBondContact CB-O 3.3Å; C86-K91 PolarHBondContact N-O 3.4Å; C89-K91 PolarHBondContact O-N 2.95Å; C89-K91 WeakPolarHBondContact SG-CE 3.44Å; K91-V93 PolarHBondContact O-N 3.21Å
92T86.9Confident81.7Confident59 Ų5984.9 Ų84.936%0.36247%0.466SS..BIsolated β-bridgetrans-62.2136.4174.548.50000109.9N84 H107N84-T92 WeakPolarHBondContact O-CA 3.4Å; T92-H107 PolarHBondContact O-NE2 3.07Å
93V85.9Confident82.2Confident4 Ų484.8 Ų84.82%0.02447%0.465CS..PPolyproline II helixtrans-100.6123.7175.2-1670000106.6N84 C86 K91 E98N84-V93 PolarHBondContact O-N 3.1Å; C86-V93 HydrophobicContact CB-CG2 3.62Å; K91-V93 PolarHBondContact O-N 3.21Å; V93-E98 HydrophobicContact CB-CB 4.37Å; V93-E98 VanDerWaalsContact CG1-CA 3.4Å; V93-E98 HydrophobicContact CG1-CB 3.41Å; V93-E98 VanDerWaalsContact CG1-CB 3.41Å
94Y83.4Confident82.7Confident163 Ų16387.9 Ų87.964%0.63947%0.47SS*.PPolyproline II helixtrans-83.2149.8172.6-64.7-79.4000109.3A96 E97 E98Y94-A96 PolarHBondContact O-N 2.86Å; Y94-E97 PolarHBondContact O-N 3.41Å; Y94-E98 PolarHBondContact O-N 3.19Å; Y94-E98 VanDerWaalsContact O-N 3.17Å
95F77.2Confident82.9Confident172 Ų17284.4 Ų84.475%0.75445%0.452SS*.THydrogen-bonded Turntrans-50.1-30.5179.7-71.9-82.8000114.2E97 E98F95-E97 VanDerWaalsContact C-N 3.34Å; F95-E97 PolarHBondContact O-N 2.91Å; F95-E98 WeakPolarHBondContact CD1-OE1 3.38Å
96A81.1Confident83.1Confident101 Ų10178 Ų7884%0.83542%0.423SS*.THydrogen-bonded Turntrans-71.1-24.617900000114.4Y94Y94-A96 PolarHBondContact O-N 2.86Å
97E79.6Confident83.1Confident108 Ų10878.6 Ų78.651%0.50543%0.426SS..THydrogen-bonded Turntrans-118.66.8-175-62.3-166.4139.400113Y94 F95 H107 K108Y94-E97 PolarHBondContact O-N 3.41Å; F95-E97 VanDerWaalsContact C-N 3.34Å; F95-E97 PolarHBondContact O-N 2.91Å; E97-H107 WeakPolarHBondContact O-CA 3.42Å; E97-K108 PolarHBondContact O-N 2.88Å
98E84.5Confident83.4Confident48 Ų4883.9 Ų83.922%0.22444%0.437CS..EExtended strand (participates in β ladder)trans-80.2133.2-176.181177.9157.200112.9V93 Y94 F95 W106V93-E98 HydrophobicContact CB-CB 4.37Å; V93-E98 VanDerWaalsContact CG1-CA 3.4Å; V93-E98 HydrophobicContact CG1-CB 3.41Å; V93-E98 VanDerWaalsContact CG1-CB 3.41Å; Y94-E98 PolarHBondContact O-N 3.19Å; Y94-E98 VanDerWaalsContact O-N 3.17Å; F95-E98 WeakPolarHBondContact CD1-OE1 3.38Å; E98-W106 WeakPolarHBondContact CA-O 3.42Å
99V86.8Confident83.4Confident25 Ų2584.2 Ų84.215%0.15244%0.44CS..EExtended strand (participates in β ladder)trans-119.1117167.6-177.70000106.2W106 K108 F111V99-W106 PolarHBondContact N-O 3.21Å; V99-W106 PolarHBondContact O-N 2.8Å; V99-K108 HydrophobicContact CG2-CB 4.27Å; V99-F111 HydrophobicContact CB-CG 4.44Å; V99-F111 HydrophobicContact CG1-CD1 3.98Å; V99-F111 HydrophobicContact CG1-CD2 4.12Å; V99-F111 HydrophobicContact CG1-CE1 4.07Å; V99-F111 HydrophobicContact CG1-CE2 4.2Å; V99-F111 HydrophobicContact CG1-CG 4.01Å; V99-F111 HydrophobicContact CG1-CZ 4.16Å
100Q84.3Confident83.5Confident132 Ų13283.4 Ų83.462%0.61744%0.435SS*.EExtended strand (participates in β ladder)trans-92.1129.9179-65.4-176.8-2400109.9K104Q100-K104 WeakPolarHBondContact CA-O 3.23Å
101C79.9Confident83.8Confident13 Ų1376.1 Ų76.19%0.08840%0.4CS..EExtended strand (participates in β ladder)trans-142121.1176.3-172.50000108.7G103 K104 F111 V125 V127C101-G103 PolarHBondContact O-N 3Å; C101-G103 VanDerWaalsContact O-N 3.15Å; C101-K104 PolarHBondContact N-O 3.14Å; C101-K104 PolarHBondContact O-N 3.21Å; C101-F111 HydrophobicContact CB-CE2 3.82Å; C101-F111 HydrophobicContact CB-CZ 4.35Å; C101-V125 VanDerWaalsContact SG-CG1 3.57Å; C101-V127 WeakPolarHBondContact SG-CG2 3.4Å
102E76.9Confident83.9Confident152 Ų15272.2 Ų72.271%0.7139%0.386SS*.THydrogen-bonded Turntrans50.141.3176.5-150.5163.4138.600113.9K104 V127E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.02Å; E102-V127 HydrophobicContact CB-CG2 4.31Å; E102-V127 VanDerWaalsContact OE2-CB 3.29Å; E102-V127 WeakPolarHBondContact OE2-CB 3.2Å
103G79.3Confident83.9Confident86 Ų8669.5 Ų69.589%0.88737%0.369SS*.THydrogen-bonded Turntrans80.42.4178.800000115.5C101C101-G103 PolarHBondContact O-N 3Å; C101-G103 VanDerWaalsContact O-N 3.15Å
104K84.3Confident83.8Confident95 Ų9574.8 Ų74.841%0.41340%0.395SS..EExtended strand (participates in β ladder)trans-109.2140.6173.8-59.6-176-175.4-165.80110.8Q100 C101 E102 W106 D130Q100-K104 WeakPolarHBondContact CA-O 3.23Å; C101-K104 PolarHBondContact N-O 3.14Å; C101-K104 PolarHBondContact O-N 3.21Å; E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.02Å; K104-W106 HydrophobicContact CB-CZ2 4.43Å; K104-W106 HydrophobicContact CD-CZ2 4.46Å; K104-W106 VanDerWaalsContact O-CD1 3.29Å; K104-W106 PolarHBondContact O-NE1 3.04Å; K104-D130 IonicContact NZ-OD1 2.61Å; K104-D130 PolarHBondContact NZ-OD1 3.07Å
105S87.3Confident83.8Confident8 Ų868.9 Ų68.96%0.05638%0.376CS..EExtended strand (participates in β ladder)trans-88.5141.2172.760.60000110.8N84 K85 C86 G87N84-S105 WeakPolarHBondContact CB-OG 3.43Å; K85-S105 PolarHBondContact O-OG 3.11Å; C86-S105 VanDerWaalsContact CA-O 3.27Å; C86-S105 WeakPolarHBondContact CA-O 3.32Å; G87-S105 PolarHBondContact N-O 2.97Å
106W88.8Confident84.1Confident18 Ų1862.9 Ų62.97%0.06836%0.355CS..EExtended strand (participates in β ladder)trans-133.1151.5176.6-54.280.4000109.2G87 C88 E98 V99 K104 F111 I132G87-W106 VanDerWaalsContact C-CZ3 3.44Å; C88-W106 HydrophobicContact CB-CE3 3.73Å; C88-W106 HydrophobicContact CB-CZ3 3.64Å; C88-W106 VanDerWaalsContact N-CZ3 3.25Å; E98-W106 WeakPolarHBondContact CA-O 3.42Å; V99-W106 PolarHBondContact N-O 3.21Å; V99-W106 PolarHBondContact O-N 2.8Å; K104-W106 HydrophobicContact CB-CZ2 4.43Å; K104-W106 HydrophobicContact CD-CZ2 4.46Å; K104-W106 VanDerWaalsContact O-CD1 3.29Å; K104-W106 PolarHBondContact O-NE1 3.04Å; W106-F111 HydrophobicContact CB-CB 4.44Å; W106-F111 HydrophobicContact CB-CD2 4.06Å; W106-F111 HydrophobicContact CG-CD2 4.05Å; W106-I132 HydrophobicContact CE3-CD1 4.49Å; W106-I132 HydrophobicContact CH2-CG2 4.26Å; W106-I132 HydrophobicContact CZ2-CG2 4.01Å
107H87.3Confident84.2Confident15 Ų1566.1 Ų66.17%0.06935%0.35CS..EExtended strand (participates in β ladder)trans-72.3147.6165.7-58.298.7000109.8C86 C89 T92 E97 S109 C110 F111C86-H107 VanDerWaalsContact CB-CE1 3.45Å; C86-H107 WeakPolarHBondContact CB-CE1 3.43Å; C86-H107 WeakPolarHBondContact CB-ND1 3.14Å; C86-H107 PolarHBondContact SG-ND1 3.26Å; C89-H107 PolarHBondContact SG-CE1 3.15Å; C89-H107 PolarHBondContact SG-ND1 3.09Å; T92-H107 PolarHBondContact O-NE2 3.07Å; E97-H107 WeakPolarHBondContact O-CA 3.42Å; H107-S109 PolarHBondContact O-N 2.81Å; H107-S109 VanDerWaalsContact O-N 3.12Å; H107-C110 HydrophobicContact CB-CB 3.92Å; H107-C110 CarbonylContact O-C 3.53Å; H107-C110 WeakPolarHBondContact O-CA 3.47Å; H107-C110 PolarHBondContact O-N 3.09Å; H107-F111 PolarHBondContact O-N 2.95Å
108K85.2Confident84.4Confident154 Ų15467.3 Ų67.367%0.6735%0.354SS*.THydrogen-bonded Turntrans-51.7-34.7171.3-168.2174.4-176.2179.80113.5E97 V99 N119E97-K108 PolarHBondContact O-N 2.88Å; V99-K108 HydrophobicContact CG2-CB 4.27Å; K108-N119 PolarHBondContact O-ND2 2.94Å
109S83.4Confident84.5Confident82 Ų8269.8 Ų69.857%0.57337%0.368SS*.THydrogen-bonded Turntrans-78.6-26.7175.655.70000113.8H107 L112H107-S109 PolarHBondContact O-N 2.81Å; H107-S109 VanDerWaalsContact O-N 3.12Å; S109-L112 WeakPolarHBondContact O-CD1 3.47Å; S109-L112 WeakPolarHBondContact O-CG 3.44Å
110C85.1Confident84.3Confident21 Ų2169.5 Ų69.514%0.14237%0.366CS..THydrogen-bonded Turntrans-87.7-11.3178.4-690000113.3C88 C89 H107 L112C88-C110 HydrophobicContact CB-CB 3.76Å; C89-C110 VanDerWaalsContact SG-SG 3.7Å; H107-C110 HydrophobicContact CB-CB 3.92Å; H107-C110 CarbonylContact O-C 3.53Å; H107-C110 WeakPolarHBondContact O-CA 3.47Å; H107-C110 PolarHBondContact O-N 3.09Å; C110-L112 VanDerWaalsContact C-N 3.26Å; C110-L112 PolarHBondContact O-N 3.14Å
111F87.5Confident84Confident2 Ų268.7 Ų68.71%0.00937%0.366CS..  trans-82.172.7-179.2-163.5-112.8000110.9V99 C101 W106 H107 L120 V125 I132V99-F111 HydrophobicContact CB-CG 4.44Å; V99-F111 HydrophobicContact CG1-CD1 3.98Å; V99-F111 HydrophobicContact CG1-CD2 4.12Å; V99-F111 HydrophobicContact CG1-CE1 4.07Å; V99-F111 HydrophobicContact CG1-CE2 4.2Å; V99-F111 HydrophobicContact CG1-CG 4.01Å; V99-F111 HydrophobicContact CG1-CZ 4.16Å; C101-F111 HydrophobicContact CB-CE2 3.82Å; C101-F111 HydrophobicContact CB-CZ 4.35Å; W106-F111 HydrophobicContact CB-CB 4.44Å; W106-F111 HydrophobicContact CB-CD2 4.06Å; W106-F111 HydrophobicContact CG-CD2 4.05Å; H107-F111 PolarHBondContact O-N 2.95Å; F111-L120 HydrophobicContact CD1-CB 3.58Å; F111-L120 WeakPolarHBondContact CD1-O 3.38Å; F111-L120 HydrophobicContact CE1-CB 3.35Å; F111-L120 WeakPolarHBondContact CE1-O 3.05Å; F111-L120 HydrophobicContact CG-CB 4.5Å; F111-L120 HydrophobicContact CZ-CB 4.14Å; F111-L120 PolarHBondContact O-N 2.81Å; F111-V125 HydrophobicContact CE1-CB 4.33Å; F111-V125 HydrophobicContact CE2-CG2 4.14Å; F111-V125 HydrophobicContact CZ-CB 3.67Å; F111-V125 HydrophobicContact CZ-CG1 3.86Å; F111-V125 HydrophobicContact CZ-CG2 3.69Å; F111-I132 HydrophobicContact CD2-CD1 3.81Å; F111-I132 HydrophobicContact CE2-CD1 4.19Å; F111-I132 HydrophobicContact CG-CD1 4.4Å
112L86.8Confident83.6Confident59 Ų5972 Ų7231%0.30939%0.389SS..BIsolated β-bridgetrans-121.9142-173.3-59.4171.3000110.7S109 C110 M114 K118 N119 I132S109-L112 WeakPolarHBondContact O-CD1 3.47Å; S109-L112 WeakPolarHBondContact O-CG 3.44Å; C110-L112 VanDerWaalsContact C-N 3.26Å; C110-L112 PolarHBondContact O-N 3.14Å; L112-M114 PolarHBondContact O-N 3.29Å; L112-K118 WeakPolarHBondContact CA-O 3.1Å; L112-N119 HydrophobicContact CD2-CB 4.2Å; L112-N119 WeakPolarHBondContact CD2-ND2 2.85Å; L112-N119 WeakPolarHBondContact CD2-OD1 3.3Å; L112-I132 WeakPolarHBondContact O-CD1 3.41Å; L112-I132 VanDerWaalsContact O-CG1 3.26Å; L112-I132 WeakPolarHBondContact O-CG1 3.3Å
113C87.4Confident83.3Confident2 Ų270.8 Ų70.81%0.01439%0.392CS..  trans-68131173177.70000111.6V115 C116 K117 K118 L120 C134 C137C113-V115 PolarHBondContact O-N 3.38Å; C113-V115 PolarHBondContact SG-N 2.89Å; C113-V115 VanDerWaalsContact SG-N 3.44Å; C113-C116 WeakPolarHBondContact CB-SG 3.46Å; C113-C116 VanDerWaalsContact SG-SG 3.63Å; C113-K117 WeakPolarHBondContact O-CA 3.39Å; C113-K117 PolarHBondContact O-N 3Å; C113-K118 PolarHBondContact N-O 3.49Å; C113-L120 HydrophobicContact CB-CD1 3.85Å; C113-L120 HydrophobicContact CB-CG 4.24Å; C113-C134 HydrophobicContact CB-CB 4.12Å; C113-C134 PolarHBondContact SG-N 3.46Å; C113-C137 PolarHBondContact SG-SG 2.86Å
114M83.2Confident82.9Confident115 Ų11570.1 Ų70.157%0.56737%0.371SS*.THydrogen-bonded Turntrans-61.5-29.3178.6-68.8-64.9-83.600113.9L112 E131 I132 Y133L112-M114 PolarHBondContact O-N 3.29Å; M114-E131 HydrophobicContact CG-CB 4.5Å; M114-I132 PolarHBondContact N-O 2.6Å; M114-Y133 HydrophobicContact CB-CE1 4.4Å
115V84.1Confident82.8Confident39 Ų3967.3 Ų67.324%0.23636%0.362CS..THydrogen-bonded Turntrans-84.9-50.7-176.8-176.90000112C113 Y133 C137 L164C113-V115 PolarHBondContact O-N 3.38Å; C113-V115 PolarHBondContact SG-N 2.89Å; C113-V115 VanDerWaalsContact SG-N 3.44Å; V115-Y133 HydrophobicContact CG2-CD1 3.68Å; V115-Y133 HydrophobicContact CG2-CE1 3.6Å; V115-C137 HydrophobicContact CB-CB 4.17Å; V115-C137 HydrophobicContact CG2-CB 4.35Å; V115-L164 HydrophobicContact CG1-CD1 3.51Å
116C83.5Confident82.6Confident46 Ų4668 Ų6831%0.31137%0.368SS..THydrogen-bonded Turntrans-106.2-3.9-172.467.30000114.4C113 K118 C137C113-C116 WeakPolarHBondContact CB-SG 3.46Å; C113-C116 VanDerWaalsContact SG-SG 3.63Å; C116-K118 HydrophobicContact CB-CG 4.49Å; C116-K118 PolarHBondContact O-N 3.17Å; C116-K118 WeakPolarHBondContact SG-CE 3.33Å; C116-C137 PolarHBondContact SG-SG 3.46Å
117K82.9Confident82.2Confident168 Ų16868.7 Ų68.773%0.7337%0.374SS*.  trans52.220.8-178.4-50.1-170.9-167.6-160.70114.8C113C113-K117 WeakPolarHBondContact O-CA 3.39Å; C113-K117 PolarHBondContact O-N 3Å
118K84.8Confident81.9Confident134 Ų13471.7 Ų71.758%0.58339%0.388SS*.PPolyproline II helixtrans-81.3141.9173-70.2-172.7-71.7-166.20109.8L112 C113 C116 L120L112-K118 WeakPolarHBondContact CA-O 3.1Å; C113-K118 PolarHBondContact N-O 3.49Å; C116-K118 HydrophobicContact CB-CG 4.49Å; C116-K118 PolarHBondContact O-N 3.17Å; C116-K118 WeakPolarHBondContact SG-CE 3.33Å; K118-L120 PolarHBondContact O-N 3.24Å
119N85.9Confident81.7Confident100 Ų10067.2 Ų67.254%0.53539%0.385SS..BIsolated β-bridgetrans-57.3130.2166.5-72.986.2000109.6K108 L112K108-N119 PolarHBondContact O-ND2 2.94Å; L112-N119 HydrophobicContact CD2-CB 4.2Å; L112-N119 WeakPolarHBondContact CD2-ND2 2.85Å; L112-N119 WeakPolarHBondContact CD2-OD1 3.3Å
120L83.4Confident81.2Confident18 Ų1869.1 Ų69.19%0.09439%0.389CS..PPolyproline II helixtrans-93.8152175-73.1157.4000108.6F111 C113 K118 V125 I132 C134F111-L120 HydrophobicContact CD1-CB 3.58Å; F111-L120 WeakPolarHBondContact CD1-O 3.38Å; F111-L120 HydrophobicContact CE1-CB 3.35Å; F111-L120 WeakPolarHBondContact CE1-O 3.05Å; F111-L120 HydrophobicContact CG-CB 4.5Å; F111-L120 HydrophobicContact CZ-CB 4.14Å; F111-L120 PolarHBondContact O-N 2.81Å; C113-L120 HydrophobicContact CB-CD1 3.85Å; C113-L120 HydrophobicContact CB-CG 4.24Å; K118-L120 PolarHBondContact O-N 3.24Å; L120-V125 HydrophobicContact CD1-CG2 4.27Å; L120-I132 HydrophobicContact CD1-CD1 4.32Å; L120-C134 VanDerWaalsContact CD2-CA 3.45Å; L120-C134 HydrophobicContact CD2-CB 3.59Å
121D77.2Confident81Confident115 Ų11572.1 Ų72.162%0.61540%0.401SS*.PPolyproline II helixtrans-99.6145.9168.3-56.6-64.5000108T123 T124D121-T123 PolarHBondContact O-N 3.03Å; D121-T124 PolarHBondContact O-N 2.9Å
122S71.4Confident80.9Confident82 Ų8272.3 Ų72.357%0.57340%0.402SS*.THydrogen-bonded Turntrans-52.6-21.9-176.848.20000114
123T71.1Confident80.9Confident127 Ų12770.3 Ų70.378%0.77939%0.39SS*.THydrogen-bonded Turntrans-86.4-20.7-178.4-41.40000114.8D121D121-T123 PolarHBondContact O-N 3.03Å
124T69.8Low80.9Confident73 Ų7370.9 Ų70.945%0.44839%0.394SS..SBendtrans-122.816.9-169.364.20000114.9D121D121-T124 PolarHBondContact O-N 2.9Å
125V82.7Confident81Confident35 Ų3573.3 Ų73.321%0.21240%0.401CS..EExtended strand (participates in β ladder)trans-82.4139.4178.562.80000111.4C101 F111 L120 V127 I132C101-V125 VanDerWaalsContact SG-CG1 3.57Å; F111-V125 HydrophobicContact CE1-CB 4.33Å; F111-V125 HydrophobicContact CE2-CG2 4.14Å; F111-V125 HydrophobicContact CZ-CB 3.67Å; F111-V125 HydrophobicContact CZ-CG1 3.86Å; F111-V125 HydrophobicContact CZ-CG2 3.69Å; L120-V125 HydrophobicContact CD1-CG2 4.27Å; V125-V127 HydrophobicContact CG2-CG2 4.33Å; V125-I132 HydrophobicContact CG2-CB 4.28Å; V125-I132 HydrophobicContact CG2-CG2 4.46Å
126A83.1Confident81.1Confident22 Ų2275.1 Ų75.118%0.18242%0.416CS..EExtended strand (participates in β ladder)trans-117.5125.1165.200000107.7Y133 Y138A126-Y133 PolarHBondContact N-O 3.11Å; A126-Y133 WeakPolarHBondContact O-CA 3.32Å; A126-Y133 WeakPolarHBondContact O-CB 3.48Å; A126-Y133 PolarHBondContact O-N 3.08Å; A126-Y138 HydrophobicContact CB-CD1 4.27Å; A126-Y138 HydrophobicContact CB-CD2 3.64Å; A126-Y138 HydrophobicContact CB-CE2 4.25Å; A126-Y138 HydrophobicContact CB-CG 3.64Å
127V81.4Confident81.1Confident33 Ų3373.3 Ų73.320%0.240%0.404CS..EExtended strand (participates in β ladder)trans-97.4136.2174.9-172.10000107.6C101 E102 V125 G129 I132C101-V127 WeakPolarHBondContact SG-CG2 3.4Å; E102-V127 HydrophobicContact CB-CG2 4.31Å; E102-V127 VanDerWaalsContact OE2-CB 3.29Å; E102-V127 WeakPolarHBondContact OE2-CB 3.2Å; V125-V127 HydrophobicContact CG2-CG2 4.33Å; V127-G129 VanDerWaalsContact CG1-O 3.23Å; V127-G129 WeakPolarHBondContact CG1-O 3.41Å; V127-I132 HydrophobicContact CG2-CG2 4.28Å
128H80.8Confident81.3Confident79 Ų7969.2 Ų69.237%0.36638%0.384SS..EExtended strand (participates in β ladder)trans-128.499.8170.2-163.2-81.3000107.8D130 E131 Y133 Y138 Y142H128-D130 PolarHBondContact O-N 2.92Å; H128-E131 PolarHBondContact N-O 3.16Å; H128-Y133 HydrophobicContact CB-CD2 4Å; H128-Y133 HydrophobicContact CB-CE2 3.9Å; H128-Y138 HydrophobicContact CB-CD2 4.41Å; H128-Y138 HydrophobicContact CB-CE2 3.92Å; H128-Y138 AromaticContact CD2-CE2 3.73Å; H128-Y142 HydrophobicContact CB-CD2 4.49Å; H128-Y142 HydrophobicContact CB-CE2 3.91Å; H128-Y142 AromaticContact CD2-CD1 3.97Å; H128-Y142 AromaticContact CE1-CE1 3.6Å; H128-Y142 AromaticContact CG-CE1 3.93Å; H128-Y142 AromaticContact CG-CE2 3.86Å; H128-Y142 AromaticContact CG-CZ 3.67Å; H128-Y142 AromaticContact ND1-CE1 3.67Å; H128-Y142 AromaticContact ND1-CZ 3.63Å; H128-Y142 AromaticContact NE2-CD1 3.76Å; H128-Y142 AromaticContact NE2-CE1 3.81Å
129G79.6Confident81.3Confident59 Ų5964 Ų6461%0.60837%0.368SS*.THydrogen-bonded Turntrans69.8-125.4-17200000112V127V127-G129 VanDerWaalsContact CG1-O 3.23Å; V127-G129 WeakPolarHBondContact CG1-O 3.41Å
130D73.1Confident81Confident123 Ų12366.3 Ų66.366%0.65837%0.374SS*.THydrogen-bonded Turntrans-93.14.9-179.6-72.5-44.2000114.1K104 H128K104-D130 IonicContact NZ-OD1 2.61Å; K104-D130 PolarHBondContact NZ-OD1 3.07Å; H128-D130 PolarHBondContact O-N 2.92Å
131E80.8Confident80.9Confident84 Ų8468.4 Ų68.439%0.39338%0.382SS..EExtended strand (participates in β ladder)trans-116.2140.8-173.5-62.5178.1143.100112.1M114 H128 Y133M114-E131 HydrophobicContact CG-CB 4.5Å; H128-E131 PolarHBondContact N-O 3.16Å; E131-Y133 HydrophobicContact CB-CD2 4.5Å; E131-Y133 HydrophobicContact CB-CE2 3.62Å; E131-Y133 PolarHBondContact OE2-OH 3.31Å
132I85.8Confident81.1Confident6 Ų667.3 Ų67.33%0.03137%0.37CS..EExtended strand (participates in β ladder)trans-101.6132.2-17859.7168.5000112.3W106 F111 L112 M114 L120 V125 V127W106-I132 HydrophobicContact CE3-CD1 4.49Å; W106-I132 HydrophobicContact CH2-CG2 4.26Å; W106-I132 HydrophobicContact CZ2-CG2 4.01Å; F111-I132 HydrophobicContact CD2-CD1 3.81Å; F111-I132 HydrophobicContact CE2-CD1 4.19Å; F111-I132 HydrophobicContact CG-CD1 4.4Å; L112-I132 WeakPolarHBondContact O-CD1 3.41Å; L112-I132 VanDerWaalsContact O-CG1 3.26Å; L112-I132 WeakPolarHBondContact O-CG1 3.3Å; M114-I132 PolarHBondContact N-O 2.6Å; L120-I132 HydrophobicContact CD1-CD1 4.32Å; V125-I132 HydrophobicContact CG2-CB 4.28Å; V125-I132 HydrophobicContact CG2-CG2 4.46Å; V127-I132 HydrophobicContact CG2-CG2 4.28Å
133Y87.4Confident81.6Confident17 Ų1764.1 Ų64.17%0.06735%0.35CS..EExtended strand (participates in β ladder)trans-127.3151.4-175.8-63.2-80.8000112.4M114 V115 A126 H128 E131 Y142M114-Y133 HydrophobicContact CB-CE1 4.4Å; V115-Y133 HydrophobicContact CG2-CD1 3.68Å; V115-Y133 HydrophobicContact CG2-CE1 3.6Å; A126-Y133 PolarHBondContact N-O 3.11Å; A126-Y133 WeakPolarHBondContact O-CA 3.32Å; A126-Y133 WeakPolarHBondContact O-CB 3.48Å; A126-Y133 PolarHBondContact O-N 3.08Å; H128-Y133 HydrophobicContact CB-CD2 4Å; H128-Y133 HydrophobicContact CB-CE2 3.9Å; E131-Y133 HydrophobicContact CB-CD2 4.5Å; E131-Y133 HydrophobicContact CB-CE2 3.62Å; E131-Y133 PolarHBondContact OE2-OH 3.31Å; Y133-Y142 HydrophobicContact CD2-CE2 4.23Å; Y133-Y142 AromaticContact CE2-CE2 3.96Å; Y133-Y142 HydrophobicContact CE2-CE2 3.96Å; Y133-Y142 PolarHBondContact OH-OH 3.04Å
134C87.9Confident81.8Confident13 Ų1362.8 Ų62.89%0.08834%0.343CS..EExtended strand (participates in β ladder)trans-76.5145.7167.591.60000110.4C113 L120 S136 C137 Y138C113-C134 HydrophobicContact CB-CB 4.12Å; C113-C134 PolarHBondContact SG-N 3.46Å; L120-C134 VanDerWaalsContact CD2-CA 3.45Å; L120-C134 HydrophobicContact CD2-CB 3.59Å; C134-S136 PolarHBondContact O-N 3.04Å; C134-S136 VanDerWaalsContact O-N 3.11Å; C134-C137 HydrophobicContact CB-CB 4.08Å; C134-C137 WeakPolarHBondContact CB-SG 3.44Å; C134-C137 CarbonylContact O-C 3.57Å; C134-C137 WeakPolarHBondContact O-CA 3.28Å; C134-C137 WeakPolarHBondContact O-CB 3.34Å; C134-C137 PolarHBondContact O-N 3.03Å; C134-C137 WeakPolarHBondContact SG-CB 3.3Å; C134-C137 PolarHBondContact SG-N 3.38Å; C134-C137 CovalentContact SG-SG 2.07Å; C134-C137 PolarHBondContact SG-SG 2.95Å; C134-Y138 WeakPolarHBondContact O-CB 3.37Å; C134-Y138 PolarHBondContact O-N 2.97Å
135K84.4Confident81.6Confident166 Ų16665.5 Ų65.572%0.72235%0.349SS*.Hα-helixtrans-48.9-42.5177.7-175.1178.1-178.81780113.3G139K135-G139 PolarHBondContact O-N 3.22Å; K135-G139 VanDerWaalsContact O-N 3.08Å
136S84.9Confident80.6Confident77 Ų7766.1 Ų66.154%0.53836%0.362SS..Hα-helixtrans-66.7-36177.1-175.60000112.9C134 K140C134-S136 PolarHBondContact O-N 3.04Å; C134-S136 VanDerWaalsContact O-N 3.11Å; S136-K140 VanDerWaalsContact O-CG 3.24Å; S136-K140 WeakPolarHBondContact O-CG 3.12Å; S136-K140 PolarHBondContact O-N 3.33Å
137C84.2Confident79.4Confident9 Ų975.5 Ų75.56%0.06139%0.394CS..Hα-helixtrans-75.6-42.5-179.2-50.70000110.6C113 V115 C116 C134 K140 K141C113-C137 PolarHBondContact SG-SG 2.86Å; V115-C137 HydrophobicContact CB-CB 4.17Å; V115-C137 HydrophobicContact CG2-CB 4.35Å; C116-C137 PolarHBondContact SG-SG 3.46Å; C134-C137 HydrophobicContact CB-CB 4.08Å; C134-C137 WeakPolarHBondContact CB-SG 3.44Å; C134-C137 CarbonylContact O-C 3.57Å; C134-C137 WeakPolarHBondContact O-CA 3.28Å; C134-C137 WeakPolarHBondContact O-CB 3.34Å; C134-C137 PolarHBondContact O-N 3.03Å; C134-C137 WeakPolarHBondContact SG-CB 3.3Å; C134-C137 PolarHBondContact SG-N 3.38Å; C134-C137 CovalentContact SG-SG 2.07Å; C134-C137 PolarHBondContact SG-SG 2.95Å; C137-K140 PolarHBondContact O-N 2.97Å; C137-K141 PolarHBondContact O-N 2.79Å
138Y87Confident78Confident82 Ų8275.7 Ų75.732%0.32240%0.403SS..Hα-helixtrans-59.5-49.2176.3-176.9-89.3000110.8A126 H128 C134 K140 K141 Y142A126-Y138 HydrophobicContact CB-CD1 4.27Å; A126-Y138 HydrophobicContact CB-CD2 3.64Å; A126-Y138 HydrophobicContact CB-CE2 4.25Å; A126-Y138 HydrophobicContact CB-CG 3.64Å; H128-Y138 HydrophobicContact CB-CD2 4.41Å; H128-Y138 HydrophobicContact CB-CE2 3.92Å; H128-Y138 AromaticContact CD2-CE2 3.73Å; C134-Y138 WeakPolarHBondContact O-CB 3.37Å; C134-Y138 PolarHBondContact O-N 2.97Å; Y138-K140 VanDerWaalsContact C-N 3.28Å; Y138-K140 PolarHBondContact O-N 3.25Å; Y138-K141 PolarHBondContact O-N 2.07Å; Y138-Y142 AromaticContact CD2-CD2 3.66Å; Y138-Y142 HydrophobicContact CD2-CD2 3.66Å; Y138-Y142 HydrophobicContact CD2-CE2 4.25Å; Y138-Y142 AromaticContact CE2-CD2 3.77Å; Y138-Y142 HydrophobicContact CE2-CD2 3.77Å; Y138-Y142 HydrophobicContact CE2-CE2 4.43Å; Y138-Y142 HydrophobicContact CE2-CG 4.31Å; Y138-Y142 HydrophobicContact CG-CD2 4.24Å; Y138-Y142 PolarHBondContact O-N 2.95Å
139G84.3Confident76.7Confident24 Ų2479.4 Ų79.425%0.24742%0.418CS..Hα-helixtrans-61-32.7176.500000113.9K135 G143K135-G139 PolarHBondContact O-N 3.22Å; K135-G139 VanDerWaalsContact O-N 3.08Å; G139-G143 WeakPolarHBondContact O-CA 3.37Å; G139-G143 PolarHBondContact O-N 2.85Å
140K81.2Confident75.4Confident148 Ų14879.4 Ų79.464%0.64342%0.419SS*.Hα-helixtrans-74-34.3176.3-70.8173.5-174.6-167.30113.4S136 C137 Y138 K145S136-K140 VanDerWaalsContact O-CG 3.24Å; S136-K140 WeakPolarHBondContact O-CG 3.12Å; S136-K140 PolarHBondContact O-N 3.33Å; C137-K140 PolarHBondContact O-N 2.97Å; Y138-K140 VanDerWaalsContact C-N 3.28Å; Y138-K140 PolarHBondContact O-N 3.25Å; K140-K145 PolarHBondContact O-NZ 3.45Å
141K79.9Confident74.7Confident62 Ų6278 Ų7827%0.2743%0.433SS..Hα-helixtrans-85.6-47.9-177.9-73.3-68.5-169.4-177.10112.1C137 Y138 I166C137-K141 PolarHBondContact O-N 2.79Å; Y138-K141 PolarHBondContact O-N 2.07Å; K141-I166 VanDerWaalsContact NZ-CD1 3.34Å
142Y82.2Confident73.5Confident93 Ų9376.8 Ų76.837%0.36544%0.443SS..Hα-helixtrans-115.2-4.2-171-55-76.1000114.3H128 Y133 Y138H128-Y142 HydrophobicContact CB-CD2 4.49Å; H128-Y142 HydrophobicContact CB-CE2 3.91Å; H128-Y142 AromaticContact CD2-CD1 3.97Å; H128-Y142 AromaticContact CE1-CE1 3.6Å; H128-Y142 AromaticContact CG-CE1 3.93Å; H128-Y142 AromaticContact CG-CE2 3.86Å; H128-Y142 AromaticContact CG-CZ 3.67Å; H128-Y142 AromaticContact ND1-CE1 3.67Å; H128-Y142 AromaticContact ND1-CZ 3.63Å; H128-Y142 AromaticContact NE2-CD1 3.76Å; H128-Y142 AromaticContact NE2-CE1 3.81Å; Y133-Y142 HydrophobicContact CD2-CE2 4.23Å; Y133-Y142 AromaticContact CE2-CE2 3.96Å; Y133-Y142 HydrophobicContact CE2-CE2 3.96Å; Y133-Y142 PolarHBondContact OH-OH 3.04Å; Y138-Y142 AromaticContact CD2-CD2 3.66Å; Y138-Y142 HydrophobicContact CD2-CD2 3.66Å; Y138-Y142 HydrophobicContact CD2-CE2 4.25Å; Y138-Y142 AromaticContact CE2-CD2 3.77Å; Y138-Y142 HydrophobicContact CE2-CD2 3.77Å; Y138-Y142 HydrophobicContact CE2-CE2 4.43Å; Y138-Y142 HydrophobicContact CE2-CG 4.31Å; Y138-Y142 HydrophobicContact CG-CD2 4.24Å; Y138-Y142 PolarHBondContact O-N 2.95Å
143G80.9Confident71.8Confident15 Ų1582.1 Ų82.116%0.15549%0.488CS..SBendtrans-67.8160.417400000112.2G139 K145G139-G143 WeakPolarHBondContact O-CA 3.37Å; G139-G143 PolarHBondContact O-N 2.85Å; G143-K145 PolarHBondContact O-N 3.19Å
144P77.1Confident70.2Confident98 Ų9884.1 Ų84.164%0.63651%0.514SS*.  trans-51114.417721.3-33.5000110.2G146 F149P144-G146 VanDerWaalsContact C-N 3.28Å; P144-G146 PolarHBondContact O-N 3.02Å; P144-F149 HydrophobicContact CG-CE2 4.1Å; P144-F149 HydrophobicContact CG-CZ 3.98Å
145K65.5Low68.4Low131 Ų13189.9 Ų89.957%0.5755%0.549SS*.SBendtrans-83.876-176.6-145.896.6172.3-174.80108.3K140 G143K140-K145 PolarHBondContact O-NZ 3.45Å; G143-K145 PolarHBondContact O-N 3.19Å
146G61.4Low66.6Low47 Ų4789.1 Ų89.149%0.48555%0.552SS.*SBendtrans158.9117.1-178.800000110.7P144P144-G146 VanDerWaalsContact C-N 3.28Å; P144-G146 PolarHBondContact O-N 3.02Å
147Y56.5Low65.3Low219 Ų21990.2 Ų90.286%0.85956%0.559SS**SBendtrans78.6116.6-174.2-172.9-97.2000114.9
148G52.2Low63.9Low37 Ų3796.2 Ų96.238%0.38159%0.588SS.*  trans-60.5139.4-15700000116.8G150G148-G150 PolarHBondContact O-N 3.03Å
149F54.9Low62.3Low157 Ų15798.2 Ų98.269%0.68961%0.605SS**  trans-72.870.3160.4-77.3-87.1000109.7P144 G151P144-F149 HydrophobicContact CG-CE2 4.1Å; P144-F149 HydrophobicContact CG-CZ 3.98Å; F149-G151 PolarHBondContact O-N 2.81Å
150G52.5Low61Low60 Ų6099.8 Ų99.862%0.61961%0.609SS**  trans-86.796.8170.600000109.9G148 G152G148-G150 PolarHBondContact O-N 3.03Å; G150-G152 PolarHBondContact O-N 3.29Å
151G56.7Low59.8Low92 Ų9294 Ų9495%0.94859%0.591SS**SBendtrans-70.182.5156.800000108.9F149F149-G151 PolarHBondContact O-N 2.81Å
152G56.1Low58.6Low60 Ų6098.5 Ų98.562%0.61961%0.613SS**SBendtrans9815917400000115.8G150 G154G150-G152 PolarHBondContact O-N 3.29Å; G152-G154 PolarHBondContact O-N 3.24Å
153A50.3Low57.2Low118 Ų11897.3 Ų97.398%0.97563%0.63SS**SBendtrans-66.999.1-173.800000112
154G53.9Low55.9Low58 Ų58101.2 Ų101.260%0.59865%0.647SS**SBendtrans172.4104.117200000111.3G152G152-G154 PolarHBondContact O-N 3.24Å
155T49.8Very low54.6Low134 Ų134100.3 Ų100.382%0.82266%0.655SS**  trans44.1100168.168.10000116.2S157T155-S157 PolarHBondContact O-N 3.35Å
156L47.6Very low54.1Low150 Ų15099.8 Ų99.879%0.78566%0.657SS**  trans-59.7103.4171.326.9158.9000109.4
157S56Low53.4Low100 Ų100105.7 Ų105.770%0.69967%0.67SS**  trans-84.8112.7173.2-167.20000108.9T155 D159T155-S157 PolarHBondContact O-N 3.35Å; S157-D159 VanDerWaalsContact C-N 3.29Å; S157-D159 PolarHBondContact O-N 3Å
158M54.7Low53.2Low136 Ų136101.3 Ų101.367%0.6767%0.668SS**  trans-88.469.6167.1-68.7-134.270.700109.1T160M158-T160 PolarHBondContact O-N 2.9Å
159D55Low52.8Low124 Ų124106.8 Ų106.866%0.66368%0.684SS**  trans-86.779.7165.4-147.2-87.2000107.3S157 G161S157-D159 VanDerWaalsContact C-N 3.29Å; S157-D159 PolarHBondContact O-N 3Å; D159-G161 PolarHBondContact O-N 3.03Å
160T55.8Low52.5Low56 Ų56106 Ų10634%0.34469%0.692SS.*  trans-55102.3156.9-44.10000103.7M158 E162M158-T160 PolarHBondContact O-N 2.9Å; T160-E162 VanDerWaalsContact CB-OE2 3.29Å; T160-E162 WeakPolarHBondContact CB-OE2 3.39Å; T160-E162 HydrophobicContact CG2-CG 4.14Å; T160-E162 WeakPolarHBondContact CG2-OE2 3.47Å; T160-E162 WeakPolarHBondContact O-CB 3.36Å; T160-E162 PolarHBondContact O-N 3.18Å
161G56.3Low52.5Low26 Ų26110.8 Ų110.827%0.26870%0.698SS.*SBendtrans-63.156-169.200000115.5D159 G163D159-G161 PolarHBondContact O-N 3.03Å; G161-G163 VanDerWaalsContact C-N 3.28Å
162E55Low52.4Low157 Ų157110.2 Ų110.273%0.73468%0.684SS**THydrogen-bonded Turntrans-80.7-12.1171.3-69166.5122.900110.1T160 L164T160-E162 VanDerWaalsContact CB-OE2 3.29Å; T160-E162 WeakPolarHBondContact CB-OE2 3.39Å; T160-E162 HydrophobicContact CG2-CG 4.14Å; T160-E162 WeakPolarHBondContact CG2-OE2 3.47Å; T160-E162 WeakPolarHBondContact O-CB 3.36Å; T160-E162 PolarHBondContact O-N 3.18Å; E162-L164 PolarHBondContact O-N 3.17Å
163G53.5Low52Low69 Ų69113.2 Ų113.271%0.71169%0.693SS**THydrogen-bonded Turntrans-72.4-2.216600000114.8G161G161-G163 VanDerWaalsContact C-N 3.28Å
164L52.9Low52.3Low96 Ų96115.3 Ų115.350%0.50368%0.682SS.*SBendtrans-113.780.1171-62179.8000108.5V115 E162 I166V115-L164 HydrophobicContact CG1-CD1 3.51Å; E162-L164 PolarHBondContact O-N 3.17Å; L164-I166 VanDerWaalsContact C-N 3.34Å; L164-I166 PolarHBondContact O-N 2.99Å
165G49.4Very low52Low80 Ų80123.5 Ų123.583%0.82570%0.695SS**  trans-5791.5174.200000111.9K167G165-K167 PolarHBondContact O-N 3.17Å
166I54.9Low52.2Low119 Ų119122.5 Ų122.561%0.6169%0.69SS**  trans-94.881.2164.4-45.7170.8000105.7K141 L164K141-I166 VanDerWaalsContact NZ-CD1 3.34Å; L164-I166 VanDerWaalsContact C-N 3.34Å; L164-I166 PolarHBondContact O-N 2.99Å
167K46.7Very low52.7Low172 Ų172121.7 Ų121.775%0.74869%0.692SS**  trans-67.4130.2148.7-101-177.9163.6-172.70105.5G165 E169G165-K167 PolarHBondContact O-N 3.17Å; K167-E169 PolarHBondContact O-N 2.92Å
168P52Low52.8Low127 Ų127123.4 Ų123.483%0.82569%0.693SS**  trans-71.57816730.3-29.6000107
169E44.5Very low53.1Low152 Ų152123 Ų12371%0.7169%0.694SS**  trans-87.9116167.5-165.3154.7124.600107.2K167 Q171K167-E169 PolarHBondContact O-N 2.92Å; E169-Q171 PolarHBondContact O-N 2.8Å
170V48.7Very low53.4Low140 Ų140122 Ų12285%0.84869%0.694SS**  trans-51.3108176.8175.30000108.4A172V170-A172 PolarHBondContact O-N 3.03Å
171Q52.8Low53.4Low161 Ų161125.6 Ų125.675%0.75271%0.711SS**PPolyproline II helixtrans-71.5119.6175.1-71.217514.300108.5E169E169-Q171 PolarHBondContact O-N 2.8Å
172A55.3Low53.2Low79 Ų79128.5 Ų128.565%0.65373%0.733SS**PPolyproline II helixtrans-50146.7168.200000110.5V170 H174V170-A172 PolarHBondContact O-N 3.03Å; A172-H174 PolarHBondContact O-N 2.81Å
173P46Very low53.6Low124 Ų124125.9 Ų125.981%0.80573%0.732SS**PPolyproline II helixtrans-57.7135.2-175.123.3-32.7000110.7R175P173-R175 PolarHBondContact O-N 3.15Å
174H57.4Low53.4Low162 Ų162132.1 Ų132.175%0.7574%0.74SS**  trans-59.3102.2175.2-72.9-149.5000109A172 P176A172-H174 PolarHBondContact O-N 2.81Å; H174-P176 WeakPolarHBondContact O-CD 3.43Å
175R47.9Very low53.3Low230 Ų230137.2 Ų137.287%0.86876%0.758SS**  trans-66.6122.2163.5-174.3177.6179.4-160.10.1106.8P173 T177P173-R175 PolarHBondContact O-N 3.15Å; R175-T177 PolarHBondContact O-N 3.47Å
176P53.1Low53.6Low112 Ų112137 Ų13773%0.72775%0.748SS**  trans-61118.7172.925.1-30.9000107.4H174 N178H174-P176 WeakPolarHBondContact O-CD 3.43Å; P176-N178 PolarHBondContact O-N 2.93Å
177T58.6Low53.8Low133 Ų133139.2 Ų139.282%0.81676%0.756SS**  trans-67.891.6165.6173.80000106.8R175 N179R175-T177 PolarHBondContact O-N 3.47Å; T177-N179 PolarHBondContact O-N 2.94Å; T177-N179 VanDerWaalsContact O-N 3.13Å
178N57.4Low54Low137 Ų137139.6 Ų139.673%0.73376%0.758SS**  trans-69.3103.4161.6-177.7-34000105.3P176 P180P176-N178 PolarHBondContact O-N 2.93Å; N178-P180 WeakPolarHBondContact O-CD 3.01Å
179N62.7Low53.8Low127 Ų127139.1 Ų139.168%0.67976%0.758SS**  trans-75.9108165.9-178.733.4000107.2T177 N181T177-N179 PolarHBondContact O-N 2.94Å; T177-N179 VanDerWaalsContact O-N 3.13Å; N179-N181 VanDerWaalsContact C-N 3.3Å; N179-N181 PolarHBondContact O-N 3.4Å
180P59.6Low54.1Low104 Ų104136.4 Ų136.468%0.67576%0.761SS**  trans-7299.7165.331.5-28.3000105.5N178 A182N178-P180 WeakPolarHBondContact O-CD 3.01Å; P180-A182 PolarHBondContact O-N 2.82Å
181N56.5Low54.6Low130 Ų130133.7 Ų133.770%0.69576%0.762SS**  trans-55.896.1162167.66.2000107.7N179 S183N179-N181 VanDerWaalsContact C-N 3.3Å; N179-N181 PolarHBondContact O-N 3.4Å; N181-S183 WeakPolarHBondContact OD1-CA 3.28Å; N181-S183 PolarHBondContact OD1-N 2.96Å
182A52.3Low55.2Low88 Ų88129.7 Ų129.773%0.72775%0.751SS**  trans-89.398.215600000106.2P180 K184P180-A182 PolarHBondContact O-N 2.82Å; A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 2.88Å
183S62.9Low56.3Low101 Ų101128.5 Ų128.571%0.70673%0.732SS**  trans-62.689.4174.4540000109.1N181N181-S183 WeakPolarHBondContact OD1-CA 3.28Å; N181-S183 PolarHBondContact OD1-N 2.96Å
184K49.9Very low58.1Low201 Ų201126 Ų12687%0.87472%0.715SS**  trans-93.9102171.2-153.3135.8-173.8176.50108.3A182A182-K184 VanDerWaalsContact C-N 3.28Å; A182-K184 PolarHBondContact O-N 2.88Å
185F51.3Low59.5Low202 Ų202118.3 Ų118.389%0.88668%0.679SS**  trans-51.4141.5169.4-119.3-102.4000110.7
186A56.3Low61.1Low76 Ų76111 Ų11163%0.62866%0.661SS**  trans-42.6146.7-171.300000117.2
187Q58.1Low62.5Low165 Ų165110.6 Ų110.677%0.77165%0.645SS**  trans-158.8124.7131.4-82.4-50.2-89.300112.5
188K50.3Low63.7Low181 Ų181106.5 Ų106.579%0.78762%0.621SS**  trans75.2118.9140.1-97.5168.1175.4172.60123.1
189S48Very low64.8Low117 Ų117102.7 Ų102.782%0.81861%0.614SS**  trans58.476.7142.160.70000117.7
190A51.3Low65.7Low94 Ų94103.4 Ų103.478%0.77761%0.612SS**  trans-116.8121.9151.900000106.6S192A190-S192 PolarHBondContact O-N 3.12Å
191G58.2Low67Low84 Ų84100.8 Ų100.887%0.86659%0.594SS**  trans-5096.7-169.500000113E193G191-E193 PolarHBondContact O-N 3.44Å
192S65.5Low68.3Low77 Ų7795 Ų9554%0.53856%0.563SS.*  trans-72.7100.6170.7580000106.5A190 V194A190-S192 PolarHBondContact O-N 3.12Å; S192-V194 WeakPolarHBondContact O-CG2 3.48Å; S192-V194 PolarHBondContact O-N 2.96Å
193E78.8Confident69.7Low53 Ų5398.6 Ų98.625%0.24856%0.559CS.*PPolyproline II helixtrans-60.4119.1176.757.6-165.3153.100109.4G191 V202 K207 S214G191-E193 PolarHBondContact O-N 3.44Å; E193-V202 HydrophobicContact CG-CB 4.25Å; E193-V202 PolarHBondContact O-N 2.6Å; E193-K207 WeakPolarHBondContact OE1-CD 3.24Å; E193-K207 IonicContact OE1-NZ 3.25Å; E193-K207 PolarHBondContact OE1-NZ 2.8Å; E193-K207 IonicContact OE2-NZ 3.75Å; E193-S214 WeakPolarHBondContact CB-OG 3.43Å; E193-S214 WeakPolarHBondContact OE2-CB 3.09Å; E193-S214 PolarHBondContact OE2-OG 3.3Å
194V85.2Confident70.4Confident73 Ų7398 Ų9844%0.44256%0.56SS.*BIsolated β-bridgetrans-101.6136.4-172.4-177.60000109.9S192 P196 G199 T201S192-V194 WeakPolarHBondContact O-CG2 3.48Å; S192-V194 PolarHBondContact O-N 2.96Å; V194-P196 WeakPolarHBondContact O-CD 3.13Å; V194-G199 WeakPolarHBondContact CG1-O 3.17Å; V194-T201 HydrophobicContact CG2-CG2 4.44Å
195C86.4Confident71.8Confident0 Ų092.4 Ų92.40%055%0.551CS.*PPolyproline II helixtrans-77.4121.7174.3-179.60000111.1R197 C198 G199 K200 V202 S214 H216C195-R197 PolarHBondContact O-N 3.05Å; C195-C198 PolarHBondContact O-N 3.2Å; C195-G199 VanDerWaalsContact O-CA 3.3Å; C195-G199 WeakPolarHBondContact O-CA 3.41Å; C195-G199 PolarHBondContact O-N 3.44Å; C195-K200 PolarHBondContact N-O 2.79Å; C195-V202 HydrophobicContact CB-CG2 3.67Å; C195-S214 VanDerWaalsContact CA-O 3.28Å; C195-S214 WeakPolarHBondContact CA-O 3.42Å; C195-H216 VanDerWaalsContact CB-CE1 3.41Å; C195-H216 WeakPolarHBondContact CB-CE1 3.47Å; C195-H216 VanDerWaalsContact CB-ND1 3.32Å; C195-H216 WeakPolarHBondContact CB-ND1 3.5Å
196P81.8Confident73.2Confident75 Ų7587.5 Ų87.549%0.48753%0.531SS..THydrogen-bonded Turntrans-67.2-18.8-179.226.6-35.2000113.6V194 W215V194-P196 WeakPolarHBondContact O-CD 3.13Å; P196-W215 HydrophobicContact CG-CD2 4.23Å; P196-W215 HydrophobicContact CG-CE3 4.22Å; P196-W215 HydrophobicContact CG-CH2 3.5Å; P196-W215 VanDerWaalsContact CG-CH2 3.5Å; P196-W215 HydrophobicContact CG-CZ2 3.49Å; P196-W215 VanDerWaalsContact CG-CZ2 3.49Å; P196-W215 HydrophobicContact CG-CZ3 3.89Å
197R81.4Confident74.4Confident104 Ų10488 Ų8839%0.39252%0.519SS..THydrogen-bonded Turntrans-82.4-33.3179.9-174.6165.9-69.6-166.81.4114.2C195 W215 C219 R221C195-R197 PolarHBondContact O-N 3.05Å; R197-W215 HydrophobicContact CB-CE3 4.23Å; R197-W215 HydrophobicContact CB-CZ3 3.81Å; R197-C219 HydrophobicContact CB-CB 4.4Å; R197-C219 WeakPolarHBondContact CD-O 3.35Å; R197-C219 PolarHBondContact NH1-O 2.82Å; R197-R221 PolarHBondContact NH1-O 2.85Å; R197-R221 PolarHBondContact NH2-O 3.21Å
198C84.1Confident75.7Confident47 Ų4781.1 Ų81.132%0.31849%0.488SS..THydrogen-bonded Turntrans-121.3-6-176.468.50000113.7C195 K200 H216C195-C198 PolarHBondContact O-N 3.2Å; C198-K200 PolarHBondContact O-N 3.42Å; C198-K200 VanDerWaalsContact O-N 3.11Å; C198-H216 PolarHBondContact SG-CE1 3.48Å; C198-H216 PolarHBondContact SG-ND1 3.23Å
199G79.6Confident77.2Confident57 Ų5776.9 Ų76.959%0.58847%0.473SS*.  trans67.73.6-179.100000114.6V194 C195V194-G199 WeakPolarHBondContact CG1-O 3.17Å; C195-G199 VanDerWaalsContact O-CA 3.3Å; C195-G199 WeakPolarHBondContact O-CA 3.41Å; C195-G199 PolarHBondContact O-N 3.44Å
200K83.4Confident78.6Confident143 Ų14371.6 Ų71.662%0.62244%0.437SS*.PPolyproline II helixtrans-90.6148.8-179-59.1172.6-170177.70110.6C195 C198 H216C195-K200 PolarHBondContact N-O 2.79Å; C198-K200 PolarHBondContact O-N 3.42Å; C198-K200 VanDerWaalsContact O-N 3.11Å; K200-H216 PolarHBondContact O-CE1 3.2Å
201T85.4Confident79.5Confident49 Ų4969 Ų6930%0.30142%0.42SS..BIsolated β-bridgetrans-63.3138.3172.353.90000110.2V194 H216V194-T201 HydrophobicContact CG2-CG2 4.44Å; T201-H216 PolarHBondContact O-NE2 3.3Å; T201-H216 VanDerWaalsContact O-NE2 3.17Å
202V83.2Confident80.5Confident7 Ų768.6 Ų68.64%0.04242%0.415CS..PPolyproline II helixtrans-98.3118.6177.2-1750000107.6E193 C195 K207E193-V202 HydrophobicContact CG-CB 4.25Å; E193-V202 PolarHBondContact O-N 2.6Å; C195-V202 HydrophobicContact CB-CG2 3.67Å; V202-K207 HydrophobicContact CG1-CB 3.5Å
203Y83.1Confident81.3Confident165 Ų16568.7 Ų68.765%0.64741%0.41SS*.PPolyproline II helixtrans-84.8155.1175.5-62.7-78.4000110.5A205 E206 K207Y203-A205 PolarHBondContact O-N 3.18Å; Y203-E206 PolarHBondContact O-N 3.04Å; Y203-K207 PolarHBondContact O-N 3.48Å; Y203-K207 VanDerWaalsContact O-N 3.16Å
204A77.3Confident81.6Confident87 Ų8766.9 Ų66.972%0.71940%0.403SS*.THydrogen-bonded Turntrans-52.8-28.4-17600000114.5
205A80.1Confident81.7Confident84 Ų8463.6 Ų63.669%0.69438%0.383SS*.THydrogen-bonded Turntrans-68.6-30.9177.600000113.8Y203 K217Y203-A205 PolarHBondContact O-N 3.18Å; A205-K217 VanDerWaalsContact O-CE 3.3Å; A205-K217 WeakPolarHBondContact O-CE 3.46Å
206E79.4Confident81.8Confident99 Ų9964.6 Ų64.646%0.46339%0.387SS..THydrogen-bonded Turntrans-113.64.1-173.7-62.8-166.8120.300113.2Y203 H216 K217Y203-E206 PolarHBondContact O-N 3.04Å; E206-H216 IonicContact OE2-CD2 3.93Å; E206-K217 PolarHBondContact O-N 3.21Å; E206-K217 VanDerWaalsContact O-N 3.15Å
207K82.7Confident81.8Confident88 Ų8867.4 Ų67.438%0.38339%0.392SS..EExtended strand (participates in β ladder)trans-73.7133.5-173.994.8174.4-173.31750113E193 V202 Y203E193-K207 WeakPolarHBondContact OE1-CD 3.24Å; E193-K207 IonicContact OE1-NZ 3.25Å; E193-K207 PolarHBondContact OE1-NZ 2.8Å; E193-K207 IonicContact OE2-NZ 3.75Å; V202-K207 HydrophobicContact CG1-CB 3.5Å; Y203-K207 PolarHBondContact O-N 3.48Å; Y203-K207 VanDerWaalsContact O-N 3.16Å
208V83.6Confident81.9Confident20 Ų2064.4 Ų64.412%0.12139%0.393CS..EExtended strand (participates in β ladder)trans-129.6121.5168-174.60000106.7W215 K217 F220V208-W215 PolarHBondContact N-O 3.31Å; V208-W215 PolarHBondContact O-N 3.18Å; V208-K217 HydrophobicContact CG2-CB 4.43Å; V208-K217 HydrophobicContact CG2-CG 3.69Å; V208-F220 HydrophobicContact CG1-CD1 4.19Å; V208-F220 HydrophobicContact CG1-CD2 4.31Å; V208-F220 HydrophobicContact CG1-CE1 4.26Å; V208-F220 HydrophobicContact CG1-CE2 4.39Å; V208-F220 HydrophobicContact CG1-CG 4.2Å; V208-F220 HydrophobicContact CG1-CZ 4.34Å
209I83.1Confident82Confident92 Ų9263.3 Ų63.347%0.47239%0.386SS..EExtended strand (participates in β ladder)trans-91.7126.7178.5-57.9172.5000107.7
210G76.1Confident82.3Confident6 Ų660.8 Ų60.86%0.06236%0.358CS..EExtended strand (participates in β ladder)trans-154.4128.4178.700000110.6G212 N213 W215 L234G210-G212 VanDerWaalsContact C-N 3.3Å; G210-G212 PolarHBondContact O-N 2.98Å; G210-N213 PolarHBondContact N-O 2.87Å; G210-N213 PolarHBondContact O-N 2.95Å; G210-N213 VanDerWaalsContact O-N 3.14Å; G210-W215 PolarHBondContact O-NE1 3.34Å; G210-W215 VanDerWaalsContact O-NE1 3.09Å; G210-L234 VanDerWaalsContact C-CD2 3.42Å
211G71.9Confident82.4Confident40 Ų4060.2 Ų60.241%0.41235%0.352SS..THydrogen-bonded Turntrans67.726.8178.800000115.4N213 D236G211-N213 PolarHBondContact O-N 3.42Å; G211-D236 WeakPolarHBondContact CA-OD1 3.12Å; G211-D236 WeakPolarHBondContact CA-OD2 3.46Å; G211-D236 PolarHBondContact N-OD2 2.94Å; G211-D236 VanDerWaalsContact N-OD2 3.14Å
212G78.1Confident82.5Confident75 Ų7558 Ų5877%0.77334%0.339SS*.THydrogen-bonded Turntrans75.40.7-174.100000114.6G210G210-G212 VanDerWaalsContact C-N 3.3Å; G210-G212 PolarHBondContact O-N 2.98Å
213N81.9Confident82.5Confident78 Ų7860 Ų6042%0.41736%0.356SS..EExtended strand (participates in β ladder)trans-115.4158176.9-67.6-55.7000111.6G210 G211 W215G210-N213 PolarHBondContact N-O 2.87Å; G210-N213 PolarHBondContact O-N 2.95Å; G210-N213 VanDerWaalsContact O-N 3.14Å; G211-N213 PolarHBondContact O-N 3.42Å; N213-W215 VanDerWaalsContact O-CD1 3.26Å
214S85.6Confident82.7Confident15 Ų1558.4 Ų58.411%0.10535%0.353CS..EExtended strand (participates in β ladder)trans-102130.4179.3-53.50000110.8E193 C195E193-S214 WeakPolarHBondContact CB-OG 3.43Å; E193-S214 WeakPolarHBondContact OE2-CB 3.09Å; E193-S214 PolarHBondContact OE2-OG 3.3Å; C195-S214 VanDerWaalsContact CA-O 3.28Å; C195-S214 WeakPolarHBondContact CA-O 3.42Å
215W87.1Confident83.1Confident5 Ų557.5 Ų57.52%0.01934%0.34CS..EExtended strand (participates in β ladder)trans-125.3153.7-175.1-56.678.8000110.2P196 R197 V208 G210 N213 F220 I241P196-W215 HydrophobicContact CG-CD2 4.23Å; P196-W215 HydrophobicContact CG-CE3 4.22Å; P196-W215 HydrophobicContact CG-CH2 3.5Å; P196-W215 VanDerWaalsContact CG-CH2 3.5Å; P196-W215 HydrophobicContact CG-CZ2 3.49Å; P196-W215 VanDerWaalsContact CG-CZ2 3.49Å; P196-W215 HydrophobicContact CG-CZ3 3.89Å; R197-W215 HydrophobicContact CB-CE3 4.23Å; R197-W215 HydrophobicContact CB-CZ3 3.81Å; V208-W215 PolarHBondContact N-O 3.31Å; V208-W215 PolarHBondContact O-N 3.18Å; G210-W215 PolarHBondContact O-NE1 3.34Å; G210-W215 VanDerWaalsContact O-NE1 3.09Å; N213-W215 VanDerWaalsContact O-CD1 3.26Å; W215-F220 HydrophobicContact CB-CB 4.21Å; W215-F220 HydrophobicContact CB-CD2 3.77Å; W215-F220 HydrophobicContact CB-CG 4.44Å; W215-F220 AromaticContact CD1-CD2 3.93Å; W215-F220 HydrophobicContact CD2-CD2 4.23Å; W215-F220 AromaticContact CG-CD2 3.72Å; W215-F220 HydrophobicContact CG-CD2 3.72Å; W215-F220 HydrophobicContact CG-CE2 4.37Å; W215-I241 HydrophobicContact CE3-CD1 4.25Å; W215-I241 HydrophobicContact CH2-CG1 4.38Å; W215-I241 HydrophobicContact CH2-CG2 3.75Å; W215-I241 HydrophobicContact CZ2-CG2 3.49Å; W215-I241 VanDerWaalsContact CZ2-CG2 3.49Å; W215-I241 HydrophobicContact CZ3-CD1 4.15Å; W215-I241 HydrophobicContact CZ3-CG1 4.39Å; W215-I241 HydrophobicContact CZ3-CG2 4.4Å
216H87.9Confident83.2Confident20 Ų2055.6 Ų55.69%0.09333%0.329CS..EExtended strand (participates in β ladder)trans-74147.2165.8-53.592.6000110.4C195 C198 K200 T201 E206 G218 C219 F220C195-H216 VanDerWaalsContact CB-CE1 3.41Å; C195-H216 WeakPolarHBondContact CB-CE1 3.47Å; C195-H216 VanDerWaalsContact CB-ND1 3.32Å; C195-H216 WeakPolarHBondContact CB-ND1 3.5Å; C198-H216 PolarHBondContact SG-CE1 3.48Å; C198-H216 PolarHBondContact SG-ND1 3.23Å; K200-H216 PolarHBondContact O-CE1 3.2Å; T201-H216 PolarHBondContact O-NE2 3.3Å; T201-H216 VanDerWaalsContact O-NE2 3.17Å; E206-H216 IonicContact OE2-CD2 3.93Å; H216-G218 PolarHBondContact O-N 2.61Å; H216-G218 VanDerWaalsContact O-N 3.09Å; H216-C219 HydrophobicContact CB-CB 4.01Å; H216-C219 PolarHBondContact O-N 3.5Å; H216-F220 WeakPolarHBondContact O-CB 3.46Å; H216-F220 PolarHBondContact O-N 3.42Å
217K82.5Confident83.4Confident135 Ų13557.7 Ų57.759%0.58734%0.337SS*.THydrogen-bonded Turntrans-47-38.8169.5-67.4171.7-174.9-760112.8A205 E206 V208A205-K217 VanDerWaalsContact O-CE 3.3Å; A205-K217 WeakPolarHBondContact O-CE 3.46Å; E206-K217 PolarHBondContact O-N 3.21Å; E206-K217 VanDerWaalsContact O-N 3.15Å; V208-K217 HydrophobicContact CG2-CB 4.43Å; V208-K217 HydrophobicContact CG2-CG 3.69Å
218G84.1Confident83.4Confident40 Ų4055.9 Ų55.941%0.41234%0.343SS..THydrogen-bonded Turntrans-76.1-31.6177.300000114.8H216 R221H216-G218 PolarHBondContact O-N 2.61Å; H216-G218 VanDerWaalsContact O-N 3.09Å; G218-R221 PolarHBondContact O-NE 3.46Å
219C85.6Confident83.1Confident25 Ų2555.7 Ų55.717%0.16934%0.341CS..THydrogen-bonded Turntrans-82.6-20.6-177.6-67.90000112.7R197 H216 R221R197-C219 HydrophobicContact CB-CB 4.4Å; R197-C219 WeakPolarHBondContact CD-O 3.35Å; R197-C219 PolarHBondContact NH1-O 2.82Å; H216-C219 HydrophobicContact CB-CB 4.01Å; H216-C219 PolarHBondContact O-N 3.5Å; C219-R221 PolarHBondContact O-N 2.59Å
220F85.2Confident82.5Confident3 Ų358 Ų581%0.01335%0.35CS..  trans-77.570-176-162.6-102.8000112V208 W215 H216 G228 L229 L234 I241V208-F220 HydrophobicContact CG1-CD1 4.19Å; V208-F220 HydrophobicContact CG1-CD2 4.31Å; V208-F220 HydrophobicContact CG1-CE1 4.26Å; V208-F220 HydrophobicContact CG1-CE2 4.39Å; V208-F220 HydrophobicContact CG1-CG 4.2Å; V208-F220 HydrophobicContact CG1-CZ 4.34Å; W215-F220 HydrophobicContact CB-CB 4.21Å; W215-F220 HydrophobicContact CB-CD2 3.77Å; W215-F220 HydrophobicContact CB-CG 4.44Å; W215-F220 AromaticContact CD1-CD2 3.93Å; W215-F220 HydrophobicContact CD2-CD2 4.23Å; W215-F220 AromaticContact CG-CD2 3.72Å; W215-F220 HydrophobicContact CG-CD2 3.72Å; W215-F220 HydrophobicContact CG-CE2 4.37Å; H216-F220 WeakPolarHBondContact O-CB 3.46Å; H216-F220 PolarHBondContact O-N 3.42Å; F220-G228 WeakPolarHBondContact O-CA 3.23Å; F220-L229 VanDerWaalsContact CD1-C 3.49Å; F220-L229 HydrophobicContact CD1-CB 3.71Å; F220-L229 WeakPolarHBondContact CD1-O 3.42Å; F220-L229 HydrophobicContact CE1-CB 3.37Å; F220-L229 WeakPolarHBondContact CE1-O 3.43Å; F220-L229 HydrophobicContact CZ-CB 4.25Å; F220-L229 PolarHBondContact O-N 3.4Å; F220-L234 HydrophobicContact CE2-CD1 4.29Å; F220-L234 HydrophobicContact CE2-CD2 3.74Å; F220-L234 HydrophobicContact CZ-CB 4.12Å; F220-L234 HydrophobicContact CZ-CD1 4.07Å; F220-L234 HydrophobicContact CZ-CD2 3.72Å; F220-L234 HydrophobicContact CZ-CG 4.19Å; F220-I241 HydrophobicContact CD2-CD1 3.99Å; F220-I241 HydrophobicContact CE2-CD1 4.46Å; F220-I241 HydrophobicContact CG-CD1 4.31Å
221R86.9Confident82.1Confident132 Ų13260.8 Ų60.850%0.49837%0.368SS..BIsolated β-bridgetrans-128.3139.8-178-56.6-178.3-169.9-170.6-1.9111.4R197 G218 C219 A223 K227 I241R197-R221 PolarHBondContact NH1-O 2.85Å; R197-R221 PolarHBondContact NH2-O 3.21Å; G218-R221 PolarHBondContact O-NE 3.46Å; C219-R221 PolarHBondContact O-N 2.59Å; R221-A223 PolarHBondContact O-N 2.98Å; R221-K227 WeakPolarHBondContact CA-O 3.44Å; R221-I241 VanDerWaalsContact N-CD1 3.34Å; R221-I241 VanDerWaalsContact O-CD1 3.23Å; R221-I241 WeakPolarHBondContact O-CD1 3.32Å; R221-I241 WeakPolarHBondContact O-CG1 3.43Å
222C87.7Confident81.8Confident2 Ų265 Ų651%0.01439%0.386CS..  trans-59133.2176.9-179.80000112K224 C225 G226 K227 L229 I241 C243 C246C222-K224 VanDerWaalsContact C-N 3.28Å; C222-K224 PolarHBondContact O-N 2.83Å; C222-K224 PolarHBondContact SG-N 2.81Å; C222-C225 WeakPolarHBondContact CB-SG 3.16Å; C222-C225 VanDerWaalsContact SG-SG 3.62Å; C222-G226 VanDerWaalsContact O-CA 3.29Å; C222-G226 WeakPolarHBondContact O-CA 3.29Å; C222-G226 PolarHBondContact O-N 3.29Å; C222-K227 PolarHBondContact N-O 2.87Å; C222-L229 HydrophobicContact CB-CD1 3.95Å; C222-I241 WeakPolarHBondContact CA-O 3.26Å; C222-C243 HydrophobicContact CB-CB 4.12Å; C222-C243 PolarHBondContact SG-N 2.92Å; C222-C243 VanDerWaalsContact SG-N 3.35Å; C222-C246 PolarHBondContact SG-SG 3.24Å
223A83.6Confident81.2Confident49 Ų4965.2 Ų65.241%0.40537%0.372SS..THydrogen-bonded Turntrans-65.1-26.8179.600000113.9R221 I241 Y242R221-A223 PolarHBondContact O-N 2.98Å; A223-I241 PolarHBondContact N-O 2.89Å; A223-I241 VanDerWaalsContact N-O 3.14Å; A223-Y242 HydrophobicContact CB-CE1 4.41Å
224K85.8Confident80.7Confident132 Ų13263.2 Ų63.257%0.57436%0.361SS*.THydrogen-bonded Turntrans-90.5-41.9-178.3-64.3-61.8-172-168.80114C222 Y242 C246C222-K224 VanDerWaalsContact C-N 3.28Å; C222-K224 PolarHBondContact O-N 2.83Å; C222-K224 PolarHBondContact SG-N 2.81Å; K224-Y242 HydrophobicContact CD-CE1 4.43Å; K224-Y242 HydrophobicContact CG-CD1 3.97Å; K224-Y242 HydrophobicContact CG-CE1 3.75Å; K224-C246 HydrophobicContact CB-CB 4.48Å
225C85.6Confident80.3Confident67 Ų6763.5 Ų63.545%0.45337%0.365SS..THydrogen-bonded Turntrans-111.8-4.7-17368.30000114.1C222 K227 C246C222-C225 WeakPolarHBondContact CB-SG 3.16Å; C222-C225 VanDerWaalsContact SG-SG 3.62Å; C225-K227 PolarHBondContact O-N 3Å; C225-K227 VanDerWaalsContact SG-CB 3.59Å; C225-C246 PolarHBondContact SG-SG 2.83Å
226G82Confident80Confident45 Ų4566.1 Ų66.146%0.46438%0.379SS..  trans66.1-2.7-179.300000115.2C222 G228C222-G226 VanDerWaalsContact O-CA 3.29Å; C222-G226 WeakPolarHBondContact O-CA 3.29Å; C222-G226 PolarHBondContact O-N 3.29Å; G226-G228 PolarHBondContact O-N 3.47Å
227K83.5Confident79.3Confident143 Ų14371.3 Ų71.362%0.62240%0.398SS*.PPolyproline II helixtrans-66130.3179.1-174.5178.8-90.7-83.20109.7R221 C222 C225 L229R221-K227 WeakPolarHBondContact CA-O 3.44Å; C222-K227 PolarHBondContact N-O 2.87Å; C225-K227 PolarHBondContact O-N 3Å; C225-K227 VanDerWaalsContact SG-CB 3.59Å; K227-L229 PolarHBondContact O-N 3.46Å
228G83.2Confident78.6Confident50 Ų5071.2 Ų71.252%0.51540%0.404SS..BIsolated β-bridgetrans-59.6127.2169.400000109.7F220 G226F220-G228 WeakPolarHBondContact O-CA 3.23Å; G226-G228 PolarHBondContact O-N 3.47Å
229L77.6Confident78.1Confident16 Ų1671.8 Ų71.88%0.08441%0.41CS..PPolyproline II helixtrans-94.2163.2176.7-74.5161.4000109.2F220 C222 K227 L234 C243F220-L229 VanDerWaalsContact CD1-C 3.49Å; F220-L229 HydrophobicContact CD1-CB 3.71Å; F220-L229 WeakPolarHBondContact CD1-O 3.42Å; F220-L229 HydrophobicContact CE1-CB 3.37Å; F220-L229 WeakPolarHBondContact CE1-O 3.43Å; F220-L229 HydrophobicContact CZ-CB 4.25Å; F220-L229 PolarHBondContact O-N 3.4Å; C222-L229 HydrophobicContact CB-CD1 3.95Å; K227-L229 PolarHBondContact O-N 3.46Å; L229-L234 HydrophobicContact CD1-CD1 4.13Å; L229-C243 HydrophobicContact CD1-CB 4.37Å; L229-C243 HydrophobicContact CD2-CB 3.74Å; L229-C243 HydrophobicContact CG-CB 4.48Å
230E71.6Confident77.7Confident141 Ų14175.2 Ų75.266%0.65942%0.424SS*.  trans-113.4148167.3-72.1-68.8131.900107.6T232 T233E230-T232 PolarHBondContact O-N 3.49Å; E230-T233 PolarHBondContact O-N 2.89Å
231S67Low77.7Confident63 Ų6375 Ų7544%0.44142%0.423SS..G310 helixtrans-50-25.2-171.343.40000114.6
232T65.3Low77.7Confident128 Ų12869.3 Ų69.379%0.78540%0.401SS*.G310 helixtrans-78.3-17.6-177.9-49.70000115E230E230-T232 PolarHBondContact O-N 3.49Å
233T65.5Low77.6Confident80 Ų8070.1 Ų70.149%0.49141%0.407SS..G310 helixtrans-127.732.8-169.559.30000114.7E230E230-T233 PolarHBondContact O-N 2.89Å
234L72.5Confident77.6Confident36 Ų3675.8 Ų75.819%0.18842%0.422CS..EExtended strand (participates in β ladder)trans-93.3141.6-175.517568.1000112.4G210 F220 L229 D236 I241G210-L234 VanDerWaalsContact C-CD2 3.42Å; F220-L234 HydrophobicContact CE2-CD1 4.29Å; F220-L234 HydrophobicContact CE2-CD2 3.74Å; F220-L234 HydrophobicContact CZ-CB 4.12Å; F220-L234 HydrophobicContact CZ-CD1 4.07Å; F220-L234 HydrophobicContact CZ-CD2 3.72Å; F220-L234 HydrophobicContact CZ-CG 4.19Å; L229-L234 HydrophobicContact CD1-CD1 4.13Å; L234-D236 VanDerWaalsContact CD2-OD1 3.3Å; L234-D236 WeakPolarHBondContact CD2-OD1 3.5Å; L234-D236 WeakPolarHBondContact CD2-OD2 3.03Å; L234-D236 WeakPolarHBondContact CG-OD2 3.29Å; L234-I241 HydrophobicContact CD1-CB 3.51Å; L234-I241 HydrophobicContact CD1-CG2 3.66Å; L234-I241 HydrophobicContact CD2-CG2 4.43Å
235A75.6Confident77.6Confident21 Ų2171.4 Ų71.417%0.17442%0.415CS..EExtended strand (participates in β ladder)trans-120.6120161.400000109.2Y242 Y247A235-Y242 PolarHBondContact N-O 3.23Å; A235-Y242 PolarHBondContact O-N 3.49Å; A235-Y247 HydrophobicContact CB-CD1 4.21Å; A235-Y247 HydrophobicContact CB-CD2 3.58Å; A235-Y247 HydrophobicContact CB-CE2 4.1Å; A235-Y247 HydrophobicContact CB-CG 3.65Å
236D80.5Confident77.6Confident61 Ų6168.8 Ų68.833%0.32640%0.397SS..EExtended strand (participates in β ladder)trans-96.3128177.7-58.5-83.1000110G211 L234 I241G211-D236 WeakPolarHBondContact CA-OD1 3.12Å; G211-D236 WeakPolarHBondContact CA-OD2 3.46Å; G211-D236 PolarHBondContact N-OD2 2.94Å; G211-D236 VanDerWaalsContact N-OD2 3.14Å; L234-D236 VanDerWaalsContact CD2-OD1 3.3Å; L234-D236 WeakPolarHBondContact CD2-OD1 3.5Å; L234-D236 WeakPolarHBondContact CD2-OD2 3.03Å; L234-D236 WeakPolarHBondContact CG-OD2 3.29Å; D236-I241 WeakPolarHBondContact OD1-CG2 3.38Å
237R73.9Confident77.8Confident128 Ų12870.6 Ų70.648%0.48339%0.39SS..EExtended strand (participates in β ladder)trans-140.9122.8173-168.467.4-161.8179.7-1.7108.9G239 E240 Y242 Y247R237-G239 VanDerWaalsContact C-N 3.26Å; R237-G239 PolarHBondContact O-N 2.9Å; R237-E240 PolarHBondContact N-O 3.31Å; R237-E240 PolarHBondContact O-N 2.95Å; R237-Y242 HydrophobicContact CB-CD2 4.3Å; R237-Y242 HydrophobicContact CB-CE2 4.22Å; R237-Y247 HydrophobicContact CB-CE2 4.36Å
238D67.7Low77.9Confident133 Ų13366.6 Ų66.671%0.71138%0.384SS*.THydrogen-bonded Turntrans56.233.2177.5-57.2-58.5000114.7E240D238-E240 PolarHBondContact O-N 3.25Å
239G73.1Confident78Confident53 Ų5372.3 Ų72.355%0.54639%0.394SS..THydrogen-bonded Turntrans80.31.8-179.300000114.5R237R237-G239 VanDerWaalsContact C-N 3.26Å; R237-G239 PolarHBondContact O-N 2.9Å
240E78.2Confident78.2Confident96 Ų9676 Ų7645%0.44941%0.414SS..EExtended strand (participates in β ladder)trans-105.5140.7174.1-66.3178.811800111.5R237 D238 Y242R237-E240 PolarHBondContact N-O 3.31Å; R237-E240 PolarHBondContact O-N 2.95Å; D238-E240 PolarHBondContact O-N 3.25Å; E240-Y242 HydrophobicContact CB-CE2 3.64Å; E240-Y242 WeakPolarHBondContact O-CD2 3.45Å; E240-Y242 PolarHBondContact OE2-OH 3.16Å
241I84.7Confident78.7Confident0 Ų073.9 Ų73.90%040%0.403CS..EExtended strand (participates in β ladder)trans-96.4127.9-176.656.8169.6000111.8W215 F220 R221 C222 A223 L234 D236W215-I241 HydrophobicContact CE3-CD1 4.25Å; W215-I241 HydrophobicContact CH2-CG1 4.38Å; W215-I241 HydrophobicContact CH2-CG2 3.75Å; W215-I241 HydrophobicContact CZ2-CG2 3.49Å; W215-I241 VanDerWaalsContact CZ2-CG2 3.49Å; W215-I241 HydrophobicContact CZ3-CD1 4.15Å; W215-I241 HydrophobicContact CZ3-CG1 4.39Å; W215-I241 HydrophobicContact CZ3-CG2 4.4Å; F220-I241 HydrophobicContact CD2-CD1 3.99Å; F220-I241 HydrophobicContact CE2-CD1 4.46Å; F220-I241 HydrophobicContact CG-CD1 4.31Å; R221-I241 VanDerWaalsContact N-CD1 3.34Å; R221-I241 VanDerWaalsContact O-CD1 3.23Å; R221-I241 WeakPolarHBondContact O-CD1 3.32Å; R221-I241 WeakPolarHBondContact O-CG1 3.43Å; C222-I241 WeakPolarHBondContact CA-O 3.26Å; A223-I241 PolarHBondContact N-O 2.89Å; A223-I241 VanDerWaalsContact N-O 3.14Å; L234-I241 HydrophobicContact CD1-CB 3.51Å; L234-I241 HydrophobicContact CD1-CG2 3.66Å; L234-I241 HydrophobicContact CD2-CG2 4.43Å; D236-I241 WeakPolarHBondContact OD1-CG2 3.38Å
242Y86.4Confident79.4Confident11 Ų1172.1 Ų72.14%0.04339%0.394CS..EExtended strand (participates in β ladder)trans-122147.5-178.5-63.3-84.2000112.6A223 K224 A235 R237 E240 F251A223-Y242 HydrophobicContact CB-CE1 4.41Å; K224-Y242 HydrophobicContact CD-CE1 4.43Å; K224-Y242 HydrophobicContact CG-CD1 3.97Å; K224-Y242 HydrophobicContact CG-CE1 3.75Å; A235-Y242 PolarHBondContact N-O 3.23Å; A235-Y242 PolarHBondContact O-N 3.49Å; R237-Y242 HydrophobicContact CB-CD2 4.3Å; R237-Y242 HydrophobicContact CB-CE2 4.22Å; E240-Y242 HydrophobicContact CB-CE2 3.64Å; E240-Y242 WeakPolarHBondContact O-CD2 3.45Å; E240-Y242 PolarHBondContact OE2-OH 3.16Å; Y242-F251 HydrophobicContact CD1-CE2 4.41Å; Y242-F251 HydrophobicContact CD2-CE2 4.38Å; Y242-F251 HydrophobicContact CE1-CE2 4.28Å; Y242-F251 HydrophobicContact CE2-CE2 4.27Å; Y242-F251 HydrophobicContact CG-CE2 4.45Å
243C87.4Confident80.1Confident19 Ų1972.5 Ų72.513%0.12840%0.399CS..EExtended strand (participates in β ladder)trans-75.2146.1171.488.40000110.1C222 L229 G245 C246 Y247C222-C243 HydrophobicContact CB-CB 4.12Å; C222-C243 PolarHBondContact SG-N 2.92Å; C222-C243 VanDerWaalsContact SG-N 3.35Å; L229-C243 HydrophobicContact CD1-CB 4.37Å; L229-C243 HydrophobicContact CD2-CB 3.74Å; L229-C243 HydrophobicContact CG-CB 4.48Å; C243-G245 PolarHBondContact O-N 3.08Å; C243-G245 VanDerWaalsContact O-N 3.1Å; C243-C246 HydrophobicContact CB-CB 4.13Å; C243-C246 WeakPolarHBondContact CB-SG 3.27Å; C243-C246 CarbonylContact O-C 3.59Å; C243-C246 WeakPolarHBondContact O-CA 3.27Å; C243-C246 WeakPolarHBondContact O-CB 3.37Å; C243-C246 PolarHBondContact O-N 3.49Å; C243-C246 WeakPolarHBondContact SG-CB 3.37Å; C243-C246 PolarHBondContact SG-N 3.08Å; C243-C246 CovalentContact SG-SG 2.08Å; C243-C246 PolarHBondContact SG-SG 3.41Å; C243-Y247 WeakPolarHBondContact O-CB 3.45Å; C243-Y247 PolarHBondContact O-N 2.96Å
244K82.5Confident80.3Confident169 Ų16978 Ų7874%0.73542%0.416SS*.Hα-helixtrans-49-42177.7-174.7-177.4179.8-178.10113A248K244-A248 WeakPolarHBondContact O-CB 3.46Å; K244-A248 PolarHBondContact O-N 2.9Å
245G85.9Confident79.9Confident40 Ų4079.8 Ų79.841%0.41244%0.444SS..Hα-helixtrans-68.6-34.1177.600000114C243 K249C243-G245 PolarHBondContact O-N 3.08Å; C243-G245 VanDerWaalsContact O-N 3.1Å; G245-K249 WeakPolarHBondContact O-CB 3.49Å; G245-K249 WeakPolarHBondContact O-CD 3.3Å; G245-K249 WeakPolarHBondContact O-CG 3.15Å; G245-K249 PolarHBondContact O-N 3.05Å
246C85.6Confident79.2Confident12 Ų1288.8 Ų88.88%0.08148%0.479CS..Hα-helixtrans-73.9-42.5177.5-500000109.8C222 K224 C225 C243 K249 N250C222-C246 PolarHBondContact SG-SG 3.24Å; K224-C246 HydrophobicContact CB-CB 4.48Å; C225-C246 PolarHBondContact SG-SG 2.83Å; C243-C246 HydrophobicContact CB-CB 4.13Å; C243-C246 WeakPolarHBondContact CB-SG 3.27Å; C243-C246 CarbonylContact O-C 3.59Å; C243-C246 WeakPolarHBondContact O-CA 3.27Å; C243-C246 WeakPolarHBondContact O-CB 3.37Å; C243-C246 PolarHBondContact O-N 3.49Å; C243-C246 WeakPolarHBondContact SG-CB 3.37Å; C243-C246 PolarHBondContact SG-N 3.08Å; C243-C246 CovalentContact SG-SG 2.08Å; C243-C246 PolarHBondContact SG-SG 3.41Å; C246-K249 PolarHBondContact O-N 3.15Å; C246-N250 WeakPolarHBondContact O-CB 3.26Å; C246-N250 PolarHBondContact O-N 2.89Å; C246-N250 PolarHBondContact O-OD1 3Å
247Y87Confident77.9Confident83 Ų8388.9 Ų88.933%0.32550%0.495SS..Hα-helixtrans-62-47.3177.7-172.2-94.3000111.1A235 R237 C243 K249 N250 F251 G252A235-Y247 HydrophobicContact CB-CD1 4.21Å; A235-Y247 HydrophobicContact CB-CD2 3.58Å; A235-Y247 HydrophobicContact CB-CE2 4.1Å; A235-Y247 HydrophobicContact CB-CG 3.65Å; R237-Y247 HydrophobicContact CB-CE2 4.36Å; C243-Y247 WeakPolarHBondContact O-CB 3.45Å; C243-Y247 PolarHBondContact O-N 2.96Å; Y247-K249 VanDerWaalsContact C-N 3.35Å; Y247-K249 PolarHBondContact O-N 2.81Å; Y247-N250 PolarHBondContact O-N 3.34Å; Y247-F251 HydrophobicContact CD2-CB 4.43Å; Y247-F251 AromaticContact CD2-CD2 3.66Å; Y247-F251 HydrophobicContact CD2-CD2 3.66Å; Y247-F251 HydrophobicContact CD2-CE2 4.36Å; Y247-F251 HydrophobicContact CD2-CG 4.39Å; Y247-F251 HydrophobicContact CE2-CB 4.22Å; Y247-F251 AromaticContact CE2-CD2 3.95Å; Y247-F251 HydrophobicContact CE2-CD2 3.95Å; Y247-F251 HydrophobicContact CE2-CG 4.3Å; Y247-F251 HydrophobicContact CG-CD2 4.29Å; Y247-F251 CarbonylContact O-C 3.6Å; Y247-F251 WeakPolarHBondContact O-CA 3.36Å; Y247-F251 WeakPolarHBondContact O-CB 3.19Å; Y247-F251 PolarHBondContact O-N 2.8Å; Y247-G252 PolarHBondContact O-N 3.13Å
248A85.2Confident77Confident58 Ų5893 Ų9348%0.47952%0.516SS..Hα-helixtrans-64.4-35.417700000113.4K244 G252K244-A248 WeakPolarHBondContact O-CB 3.46Å; K244-A248 PolarHBondContact O-N 2.9Å; A248-G252 WeakPolarHBondContact O-CA 3.47Å; A248-G252 PolarHBondContact O-N 3.09Å
249K84Confident76.5Confident170 Ų17090.2 Ų90.274%0.73952%0.519SS*.Hα-helixtrans-73.1-37.7179.3-74.8173.8-175.6-173.80113.2G245 C246 Y247G245-K249 WeakPolarHBondContact O-CB 3.49Å; G245-K249 WeakPolarHBondContact O-CD 3.3Å; G245-K249 WeakPolarHBondContact O-CG 3.15Å; G245-K249 PolarHBondContact O-N 3.05Å; C246-K249 PolarHBondContact O-N 3.15Å; Y247-K249 VanDerWaalsContact C-N 3.35Å; Y247-K249 PolarHBondContact O-N 2.81Å
250N82.9Confident75.8Confident93 Ų9396.8 Ų96.850%0.49754%0.536SS..Hα-helixtrans-92.5-34.4-175.5-76.187.4000113.2C246 Y247C246-N250 WeakPolarHBondContact O-CB 3.26Å; C246-N250 PolarHBondContact O-N 2.89Å; C246-N250 PolarHBondContact O-OD1 3Å; Y247-N250 PolarHBondContact O-N 3.34Å
251F82.4Confident74.6Confident98 Ų9895.8 Ų95.843%0.4355%0.551SS.*Hα-helixtrans-124.9-0-172.1-51.7-75000113.6Y242 Y247Y242-F251 HydrophobicContact CD1-CE2 4.41Å; Y242-F251 HydrophobicContact CD2-CE2 4.38Å; Y242-F251 HydrophobicContact CE1-CE2 4.28Å; Y242-F251 HydrophobicContact CE2-CE2 4.27Å; Y242-F251 HydrophobicContact CG-CE2 4.45Å; Y247-F251 HydrophobicContact CD2-CB 4.43Å; Y247-F251 AromaticContact CD2-CD2 3.66Å; Y247-F251 HydrophobicContact CD2-CD2 3.66Å; Y247-F251 HydrophobicContact CD2-CE2 4.36Å; Y247-F251 HydrophobicContact CD2-CG 4.39Å; Y247-F251 HydrophobicContact CE2-CB 4.22Å; Y247-F251 AromaticContact CE2-CD2 3.95Å; Y247-F251 HydrophobicContact CE2-CD2 3.95Å; Y247-F251 HydrophobicContact CE2-CG 4.3Å; Y247-F251 HydrophobicContact CG-CD2 4.29Å; Y247-F251 CarbonylContact O-C 3.6Å; Y247-F251 WeakPolarHBondContact O-CA 3.36Å; Y247-F251 WeakPolarHBondContact O-CB 3.19Å; Y247-F251 PolarHBondContact O-N 2.8Å
252G81.4Confident73.5Confident25 Ų25100.8 Ų100.826%0.25859%0.593SS.*SBendtrans-69152.8171.400000111.2Y247 A248 K254Y247-G252 PolarHBondContact O-N 3.13Å; A248-G252 WeakPolarHBondContact O-CA 3.47Å; A248-G252 PolarHBondContact O-N 3.09Å; G252-K254 PolarHBondContact O-N 3.22Å
253P78.9Confident72Confident136 Ų136104.2 Ų104.288%0.88363%0.631SS**  trans-58.3112.2173.225.2-32.6000108.4G255P253-G255 VanDerWaalsContact C-N 3.3Å; P253-G255 PolarHBondContact O-N 3.32Å
254K71.4Confident70.8Confident196 Ų196107.3 Ų107.385%0.85266%0.659SS**  trans-69.293172.4-109.5168.1176.5164.40107.2G252 F256G252-K254 PolarHBondContact O-N 3.22Å; K254-F256 PolarHBondContact O-N 3.29Å
255G62.6Low69.3Low74 Ų74107.8 Ų107.876%0.76367%0.668SS**PPolyproline II helixtrans-58.9119.2172.700000109.7P253P253-G255 VanDerWaalsContact C-N 3.3Å; P253-G255 PolarHBondContact O-N 3.32Å
256F61.9Low68Low209 Ų209110.8 Ų110.892%0.91769%0.689SS**PPolyproline II helixtrans-68.6143.2173.3-158.4-97.4000109.3K254K254-F256 PolarHBondContact O-N 3.29Å
257G52.5Low66.1Low64 Ų64118.8 Ų118.866%0.6673%0.725SS**PPolyproline II helixtrans-60.9152.7-159.600000116.8G259G257-G259 PolarHBondContact O-N 3.13Å
258F55.8Low64.4Low213 Ų213120.1 Ų120.193%0.93475%0.746SS**  trans-80.4109.8160.5-66.9-83.6000108.1Q260F258-Q260 PolarHBondContact O-N 3.43Å
259G56.7Low63.4Low75 Ų75129.5 Ų129.577%0.77378%0.78SS**  trans-70.9120168.400000109.7G257 G261G257-G259 PolarHBondContact O-N 3.13Å; G259-G261 PolarHBondContact O-N 3.32Å
260Q59.4Low62.3Low191 Ų191127.5 Ų127.589%0.89378%0.782SS**  trans-69.996.4169.8-156.179.540.400108F258 A262F258-Q260 PolarHBondContact O-N 3.43Å; Q260-A262 PolarHBondContact O-N 3.43Å
261G51.7Low61.3Low75 Ų75129.3 Ų129.377%0.77380%0.797SS**  trans-75.4111174.700000110.8G259 G263G259-G261 PolarHBondContact O-N 3.32Å; G261-G263 PolarHBondContact O-N 2.96Å
262A62.1Low60.1Low106 Ų106131 Ų13188%0.87682%0.817SS**  trans-75.9101.1165.700000109Q260Q260-A262 PolarHBondContact O-N 3.43Å
263G55.3Low58.8Low82 Ų82137.2 Ų137.285%0.84585%0.85SS**  trans-93.794.9171.400000110.7G261G261-G263 PolarHBondContact O-N 2.96Å
264A61.1Low57.6Low85 Ų85137.3 Ų137.370%0.70285%0.848SS**  trans-100.7128.415700000107.4
265L52.4Low56.7Low179 Ų179133.4 Ų133.494%0.93785%0.848SS**  trans-168.1133.5131.6-79.8-160.3000109
266A58.6Low56.2Low102 Ų102137.6 Ų137.684%0.84385%0.854SS**  trans-76.7149.4-176.500000112.5
267H43.9Very low55.8Low181 Ų181132.2 Ų132.284%0.83885%0.849SS**  trans-141116.3152.7-168.99.5000108.8
268S52.3Low56.1Low110 Ų110137.8 Ų137.877%0.76987%0.865SS**  trans-121.3138.3161.248.20000107.6
269Q63.5Low56.1Low255 Ų255131 Ų131100%1.19286%0.858SS**  trans-820-166.7-165.8-178.5-13.100112.5

Retrieved 269 of 269 residues in 374.8 ms (Link to these results)