X2JCX9_DROME Loading...

Prothoracicotropic hormone, isoform F

AlphaFold DB , UniProt , Accession X2JCX9, Species DROME (Drosophila melanogaster, Fruit fly), Gene Ptth, Length 218 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M43.6Very low47Very low240 Ų240172 Ų172100%1.18285%0.851SS**  0125.60-81.2162.8155.600107.5
2D45.8Very low46.5Very low152 Ų152166.9 Ų166.981%0.81385%0.845SS**  trans57.198.9173.9-66.2-57.4000121.4
3I40.6Very low46.4Very low158 Ų158163.8 Ų163.881%0.8185%0.846SS**  trans-106.8123154.9-61.2166000106V5I3-V5 HydrophobicContact CG2-CG2 4.34Å
4K57.7Low46.6Very low193 Ų193168.4 Ų168.484%0.83985%0.847SS**  trans-130.4102.9171.3-120.4173.5-176.5170.90110.6
5V44.3Very low46.2Very low112 Ų112172.9 Ų172.968%0.67985%0.85SS**  trans-103.5120170.1170.60000107.4I3I3-V5 HydrophobicContact CG2-CG2 4.34Å
6W50.8Low45.8Very low227 Ų227169.6 Ų169.686%0.8685%0.849SS**  trans-135.8105.8164.2-100.762.3000110.4L8W6-L8 HydrophobicContact CE3-CD1 3.99Å; W6-L8 HydrophobicContact CE3-CG 4.46Å; W6-L8 HydrophobicContact CZ3-CD1 3.83Å
7R44.5Very low45.5Very low232 Ų232167.7 Ų167.788%0.87585%0.849SS**  trans-82.3129.8162-73.9-174.5-166.9-169.23.4108.5
8L50.2Low45.5Very low147 Ų147163.1 Ų163.177%0.7784%0.84SS**  trans-148.190.1153.3-78.8176.8000109.4W6W6-L8 HydrophobicContact CE3-CD1 3.99Å; W6-L8 HydrophobicContact CE3-CG 4.46Å; W6-L8 HydrophobicContact CZ3-CD1 3.83Å
9L49Very low45.6Very low171 Ų171163.1 Ų163.190%0.89584%0.841SS**  trans-100.186.8159.2-98.7150.9000106.8Q11L9-Q11 PolarHBondContact O-N 3.15Å
10G41Very low45.3Very low75 Ų75162.3 Ų162.377%0.77384%0.843SS**  trans-85.896.7169.400000109.5S12G10-S12 PolarHBondContact O-N 3.25Å
11Q49.6Very low45.2Very low185 Ų185165 Ų16586%0.86484%0.843SS**  trans-81.2105.3164.4-90178.3-16.400108.8L9 C13L9-Q11 PolarHBondContact O-N 3.15Å; Q11-C13 PolarHBondContact O-N 3.19Å
12S41.2Very low45.2Very low111 Ų111163 Ų16378%0.77683%0.83SS**  trans-65.5105.6173.3177.90000110G10 R14G10-S12 PolarHBondContact O-N 3.25Å; S12-R14 PolarHBondContact O-N 3.49Å
13C45.5Very low45.1Very low127 Ų127167.1 Ų167.186%0.85883%0.834SS**  trans-78.3108.5170.1-150.90000108.3Q11 R15Q11-C13 PolarHBondContact O-N 3.19Å; C13-R15 PolarHBondContact O-N 3.44Å
14R48.9Very low45.1Very low228 Ų228164.6 Ų164.686%0.8683%0.83SS**  trans-61124.9179.4-79.3-176.8172.6-167.6-1.4110.1S12 S16S12-R14 PolarHBondContact O-N 3.49Å; R14-S16 PolarHBondContact O-N 3.49Å; R14-S16 VanDerWaalsContact O-N 3.16Å
15R40.3Very low44.6Very low236 Ų236160.5 Ų160.589%0.89183%0.826SS**  trans-59.2109.5166.9-77.9176.4174.7172.6-1.8109.7C13C13-R15 PolarHBondContact O-N 3.44Å
16S39.6Very low45Very low120 Ų120163.3 Ų163.384%0.83983%0.834SS**  trans-87.998.9157.9-80.80000108.8R14 A18R14-S16 PolarHBondContact O-N 3.49Å; R14-S16 VanDerWaalsContact O-N 3.16Å; S16-A18 PolarHBondContact O-N 3.35Å
17T41.1Very low45.3Very low137 Ų137159.8 Ų159.884%0.8483%0.829SS**  trans-81.793.7162.846.90000108
18A45.2Very low46.1Very low85 Ų85154.2 Ų154.270%0.70282%0.823SS**  trans-128.1133168.700000108.9S16S16-A18 PolarHBondContact O-N 3.35Å
19L46.6Very low46.6Very low162 Ų162158.8 Ų158.885%0.84883%0.83SS**  trans82.358.2170.2-65.9157.2000117.9
20V40.8Very low47Very low147 Ų147157.7 Ų157.789%0.89182%0.824SS**  trans-84.194.5135.9172.30000107.1
21R42.8Very low48.2Very low221 Ų221159.9 Ų159.983%0.83483%0.825SS**  trans176.688.8158.2-103173.9-166.2173.24.5109.3
22H42.8Very low48.7Very low196 Ų196158.8 Ų158.891%0.90782%0.823SS**  trans-143.988.3144.6-114-80.7000108.1S24H22-S24 PolarHBondContact O-N 3.29Å
23R45.7Very low49.6Very low240 Ų240157.2 Ų157.291%0.90681%0.812SS**  trans-78.8110.5175.9-166.8178.6-170.7176.81.9107S25R23-S25 PolarHBondContact O-N 3.43Å
24S40.5Very low50.4Low104 Ų104158.3 Ų158.373%0.72781%0.808SS**  trans17.195.7149.5-159.70000115.7H22H22-S24 PolarHBondContact O-N 3.29Å
25S46.1Very low50.9Low108 Ų108154.3 Ų154.376%0.75580%0.801SS**  trans-94.3101160.7174.30000107.1R23 M27R23-S25 PolarHBondContact O-N 3.43Å; S25-M27 PolarHBondContact O-N 2.61Å
26M52.4Low51.7Low171 Ų171146 Ų14684%0.84278%0.783SS**  trans-66.7111.2166.7-70.3-179.681.700108
27M57.4Low52.6Low153 Ų153147.4 Ų147.475%0.75478%0.778SS**  trans-79.2125.1162.4-80.7179.716600108.7S25 W29S25-M27 PolarHBondContact O-N 2.61Å; M27-W29 PolarHBondContact O-N 3.41Å
28P61.1Low53.4Low115 Ų115143.4 Ų143.475%0.74776%0.758SS**  trans-73.5111.4170.730-28.9000107.6L30P28-L30 PolarHBondContact O-N 3.12Å
29W60.8Low54.1Low243 Ų243145.7 Ų145.792%0.9276%0.758SS**  trans-68.2101.9167.6-71.473.3000107.5M27M27-W29 PolarHBondContact O-N 3.41Å
30L58.4Low54.6Low148 Ų148144.6 Ų144.678%0.77575%0.752SS**  trans-61.8127.6168.8-79.3160.2000108.4P28 I32P28-L30 PolarHBondContact O-N 3.12Å; L30-I32 PolarHBondContact O-N 3.21Å
31P66Low55.5Low120 Ų120142.3 Ų142.378%0.77974%0.743SS**  trans-68.2106.2173.927.7-31.4000108.1S33P31-S33 PolarHBondContact O-N 3.47Å; P31-S33 VanDerWaalsContact O-N 3.07Å
32I60.3Low56.1Low163 Ų163138.6 Ų138.684%0.83674%0.739SS**  trans-62.4114.3168.9-63.7173.2000106.6L30 I34L30-I32 PolarHBondContact O-N 3.21Å; I32-I34 PolarHBondContact O-N 2.81Å
33S59.7Low56.6Low77 Ų77134.9 Ų134.954%0.53873%0.73SS.*  trans-53.8116.3-172.9178.10000112.5P31 M35 A36P31-S33 PolarHBondContact O-N 3.47Å; P31-S33 VanDerWaalsContact O-N 3.07Å; S33-M35 PolarHBondContact O-N 3Å; S33-A36 PolarHBondContact O-N 3.29Å
34I61.8Low57.1Low151 Ų151131.1 Ų131.177%0.77473%0.728SS**THydrogen-bonded Turntrans-61.5-13.5176.9-64.1171.2000111.9I32 A36I32-I34 PolarHBondContact O-N 2.81Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.17Å
35M58.7Low57.5Low143 Ų143136.1 Ų136.170%0.70474%0.737SS**Hα-helixtrans-71.7-19.9177.4-73.9-65.1-175.600114.4S33 M37S33-M35 PolarHBondContact O-N 3Å; M35-M37 VanDerWaalsContact C-N 3.35Å; M35-M37 PolarHBondContact O-N 3.34Å
36A58.8Low57.4Low62 Ų62134.1 Ų134.151%0.51273%0.733SS.*Hα-helixtrans-72.9-25.5179.100000113.3S33 I34S33-A36 PolarHBondContact O-N 3.29Å; I34-A36 VanDerWaalsContact C-N 3.32Å; I34-A36 PolarHBondContact O-N 3.17Å
37M58.1Low57.1Low149 Ų149134.1 Ų134.173%0.73474%0.735SS**Hα-helixtrans-83.5-21.6178.4-67.8-138-71.900113.4M35 S41M35-M37 VanDerWaalsContact C-N 3.35Å; M35-M37 PolarHBondContact O-N 3.34Å; M37-S41 PolarHBondContact O-OG 3.14Å
38A58.5Low56.4Low53 Ų53131.7 Ų131.744%0.43874%0.739SS.*Hα-helixtrans-72.8-30.9176.800000112.7
39L57.9Low55.6Low134 Ų134130.8 Ų130.870%0.70274%0.736SS**Hα-helixtrans-78.6-24.8-178.5-73168.2000113.8S41L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.34Å
40L58.8Low54.7Low138 Ų138127.9 Ų127.972%0.72373%0.732SS**THydrogen-bonded Turntrans-76.6-14.9175.1-85.1150000113.5
41S58.8Low54.1Low100 Ų100132 Ų13270%0.69974%0.739SS**THydrogen-bonded Turntrans-90.8-4-178.2-55.80000113.7M37 L39M37-S41 PolarHBondContact O-OG 3.14Å; L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.34Å
42L56Low53Low143 Ų143130.8 Ų130.875%0.74974%0.739SS**SBendtrans-103.4-2-175.6-97.2126.4000115.2
43T53.8Low52.6Low117 Ų117128.3 Ų128.372%0.71874%0.737SS**SBendtrans-104.71.5-176.754.90000115
44N54.8Low51.7Low162 Ų162131.8 Ų131.887%0.86675%0.749SS**  trans-111.663.5177.5-116.9-4000111.6
45K49.8Very low50.9Low208 Ų208133.4 Ų133.490%0.90475%0.753SS**  trans-142.692.9170.5-121.6-179.5-177.8178.80108.7
46G44.4Very low49.9Very low66 Ų66130.5 Ų130.568%0.6876%0.76SS**  trans171.1101.2174.300000112.4
47I45.9Very low49.1Very low172 Ų172135.4 Ų135.488%0.88278%0.777SS**  157.9101.1125.8-75.6153.6000107.2
48A42.3Very low48.4Very low102 Ų102134.7 Ų134.784%0.84378%0.776SS**  trans-94.5132.7160.100000108
49S43.9Very low48Very low96 Ų96139.7 Ų139.767%0.67179%0.79SS**  trans-170.494.5157.9-176.50000106
50Q42.8Very low47.5Very low182 Ų182141.4 Ų141.485%0.8580%0.797SS**  38102.2100.2-78-176-100113.5
51Y45.7Very low47Very low234 Ų234140.9 Ų140.992%0.91880%0.799SS**  trans-151.5128.6137-102.3-78.4000108.8
52A42.2Very low45.9Very low95 Ų95139.3 Ų139.379%0.78580%0.798SS**  trans-109.7138172.600000108.2
53S51.5Low45.3Very low111 Ų111141 Ų14178%0.77681%0.808SS**  trans168.3106.9151.9-153.40000104.5
54D41.9Very low44.7Very low150 Ų150146.4 Ų146.480%0.80282%0.815SS**  52.4135.473.4-149.315.2000115.3
55E45.5Very low43.7Very low184 Ų184143.5 Ų143.586%0.8681%0.807SS**  trans90.5126.7175.8-59.1-168.7134.900120.5
56G36.5Very low43.3Very low83 Ų83141.8 Ų141.886%0.85681%0.807SS**  trans126.585.7135.400000117.5
57L41.1Very low42.9Very low165 Ų165146.1 Ų146.186%0.86481%0.81SS**  trans-85.5134.2163.7-127.2135.4000109.4
58D43.6Very low42.4Very low134 Ų134146.9 Ų146.972%0.71781%0.809SS**  trans155.8117.4143.5-93.9-26.7000110.5
59E50.3Low42.1Very low157 Ų157152.7 Ų152.773%0.73481%0.809SS**  91.3101.994-166.7-173.9161.600112.3
60M48.6Very low41.6Very low171 Ų171152.5 Ų152.584%0.84281%0.813SS**  trans-172117.4134.7-116.5175.2-96.200113
61V47.1Very low41.3Very low127 Ų127152.4 Ų152.477%0.7781%0.813SS**  42.8113.8121.5-1730000115.9
62G37.2Very low40.8Very low66 Ų66150.1 Ų150.168%0.6881%0.81SS**  cis90.694.144.100000111.1
63L42.2Very low40.5Very low180 Ų180154.2 Ų154.294%0.94281%0.813SS**  trans-155.7147.1162-108.4165.5000113.2
64R40.9Very low39.8Very low230 Ų230157.3 Ų157.387%0.86882%0.816SS**  trans-86.9146.1-155.7-71.5164.6171.1173-2.7114.6
65S34Very low39.5Very low101 Ų101155.4 Ų155.471%0.70681%0.812SS**  17.6125.8125.2-168.90000119.5
66L42Very low39.5Very low172 Ų172154.3 Ų154.390%0.90181%0.811SS**  trans-159111.4142.4-125.2147.2000111.5
67E35Very low40.2Very low157 Ų157160.9 Ų160.973%0.73481%0.81SS**  trans-69.3137.4160.8-81.1161.3100.800110.7
68H36.3Very low40.6Very low188 Ų188157.9 Ų157.987%0.8780%0.803SS**  trans169127131.4-99.983.6000109.4
69R35.2Very low41.2Very low224 Ų224157.4 Ų157.485%0.84581%0.805SS**  150.7117.2116.3-162.3167.5-175.4165.80.4110.3
70A33.4Very low41.3Very low92 Ų92153.8 Ų153.876%0.7680%0.797SS**  trans-72138.8169.800000110.6
71E37.5Very low41.5Very low179 Ų179153.4 Ų153.484%0.83679%0.791SS**  trans-155.8133.8148.1-131.2168.5115.700109.5
72E35.7Very low42.4Very low186 Ų186153.9 Ų153.987%0.86979%0.786SS**  trans-61132-178.2-71.4166.575.400112.9
73Q35.9Very low43.4Very low182 Ų182155.6 Ų155.685%0.8578%0.779SS**  trans-174.1125132.4-112.4165.6-15.300113.1
74Q35.5Very low44Very low176 Ų176150.7 Ų150.782%0.82276%0.76SS**  trans74.4110.1147.1-127.1170.9-38.900119.4
75P36.3Very low44.8Very low110 Ų110143.9 Ų143.971%0.71475%0.753SS**  trans-79.2170.4168.135.1-29.8000110.3
76D45.6Very low46Very low160 Ų160145.3 Ų145.386%0.85675%0.752SS**  trans95.661.7178.3-56.7-24.8000117.3
77R50.8Low46.9Very low222 Ų222143.6 Ų143.684%0.83874%0.737SS**  trans-157.713.9153.3-137.3171.4173.6141.3-1.8117.3
78S49Very low47.6Very low102 Ų102139.9 Ų139.971%0.71374%0.742SS**  trans-11722.3-154-159.20000118.1
79T56Low48.4Very low123 Ų123139.2 Ų139.276%0.75574%0.737SS**SBendtrans-108.7-21.517346.40000114.3
80S53.7Low48.8Very low81 Ų81133.6 Ų133.657%0.56673%0.731SS**Hα-helixtrans-78.7-24.7-178.959.80000114.2
81K53.4Low49.7Very low164 Ų164135.2 Ų135.271%0.71373%0.734SS**Hα-helixtrans-77.9-27.8-179.6-68.4-176.2179179.60114L83 S84 A85K81-L83 VanDerWaalsContact C-N 3.31Å; K81-L83 PolarHBondContact O-N 2.74Å; K81-S84 PolarHBondContact O-N 3.49Å; K81-A85 PolarHBondContact O-N 3.26Å
82M64.5Low50.2Low136 Ų136131.9 Ų131.967%0.6773%0.731SS**Hα-helixtrans-68.3-32.1176.5-92.3177.752.300112.3A85 L86M82-A85 PolarHBondContact O-N 3.4Å; M82-L86 PolarHBondContact O-N 3.22Å
83L58.1Low50.8Low102 Ų102129.5 Ų129.553%0.53473%0.729SS.*Hα-helixtrans-72-35.2178.3-63.7176.8000111.6K81 A85 L86 F87K81-L83 VanDerWaalsContact C-N 3.31Å; K81-L83 PolarHBondContact O-N 2.74Å; L83-A85 PolarHBondContact O-N 3.13Å; L83-L86 HydrophobicContact CD2-CD1 4.49Å; L83-L86 PolarHBondContact O-N 3.24Å; L83-L86 VanDerWaalsContact O-N 3.12Å; L83-F87 VanDerWaalsContact O-CD2 3.25Å; L83-F87 WeakPolarHBondContact O-CD2 3.33Å; L83-F87 PolarHBondContact O-N 3.07Å
84S55.7Low51.3Low78 Ų78126.1 Ų126.155%0.54572%0.723SS.*Hα-helixtrans-66.8-19.9174.2-58.40000114K81K81-S84 PolarHBondContact O-N 3.49Å
85A57.8Low51.6Low86 Ų86126.5 Ų126.571%0.71172%0.724SS**Hα-helixtrans-84.4-22.5172.900000112.9K81 M82 L83K81-A85 PolarHBondContact O-N 3.26Å; M82-A85 PolarHBondContact O-N 3.4Å; L83-A85 PolarHBondContact O-N 3.13Å
86L57.7Low52.1Low132 Ų132126.8 Ų126.869%0.69173%0.726SS**Hα-helixtrans-81.1-30.4177.1-94.4152.9000112.8M82 L83M82-L86 PolarHBondContact O-N 3.22Å; L83-L86 HydrophobicContact CD2-CD1 4.49Å; L83-L86 PolarHBondContact O-N 3.24Å; L83-L86 VanDerWaalsContact O-N 3.12Å
87F62.9Low52.4Low135 Ų135124.7 Ų124.759%0.59272%0.719SS**THydrogen-bonded Turntrans-104.598.1170-57.6-77.9000107.2L83 F89L83-F87 VanDerWaalsContact O-CD2 3.25Å; L83-F87 WeakPolarHBondContact O-CD2 3.33Å; L83-F87 PolarHBondContact O-N 3.07Å; F87-F89 HydrophobicContact CB-CD2 3.79Å; F87-F89 HydrophobicContact CB-CE2 3.89Å; F87-F89 WeakPolarHBondContact O-CD2 3.25Å; F87-F89 PolarHBondContact O-N 3.18Å
88G48Very low52.1Low80 Ų80123.1 Ų123.183%0.82572%0.722SS**THydrogen-bonded Turntrans-56.458-169.800000117.7S90G88-S90 PolarHBondContact O-N 3.16Å
89F52.9Low51.9Low174 Ų174126.4 Ų126.476%0.76373%0.728SS**  trans-93.194.5174.7-69.8-72.1000108F87F87-F89 HydrophobicContact CB-CD2 3.79Å; F87-F89 HydrophobicContact CB-CE2 3.89Å; F87-F89 WeakPolarHBondContact O-CD2 3.25Å; F87-F89 PolarHBondContact O-N 3.18Å
90S45.3Very low51.4Low105 Ų105124.8 Ų124.873%0.73473%0.727SS**  trans-65.2128.9167.2-157.30000109.1G88 S92G88-S90 PolarHBondContact O-N 3.16Å; S90-S92 PolarHBondContact O-N 3.4Å
91P50.6Low51.2Low126 Ų126129.7 Ų129.782%0.81874%0.743SS**  trans-8297.1178.831.3-29.6000109.6
92S48.4Very low51Low109 Ų109128.1 Ų128.176%0.76275%0.747SS**  trans-111.5104165.240.40000109.9S90S90-S92 PolarHBondContact O-N 3.4Å
93T47.9Very low50.5Low137 Ų137129.8 Ų129.884%0.8476%0.755SS**  trans-58164.1169.9200000113.3
94P47.1Very low50.4Low110 Ų110129.9 Ų129.971%0.71476%0.762SS**  -111.6160.6-124.440.6-33.8000114.3
95H42.8Very low50.4Low184 Ų184135 Ų13585%0.85278%0.776SS**  trans-116.3133160-88.7-61.7000110.4
96P45.9Very low50.2Low117 Ų117139.8 Ų139.876%0.7678%0.784SS**  trans-89.7119.2-177.233.9-27.4000109.9
97T51.9Low50.2Low116 Ų116140.7 Ų140.771%0.71279%0.789SS**  trans-136.9112160.7-44.30000109.4M99T97-M99 PolarHBondContact O-N 3.46Å; T97-M99 VanDerWaalsContact O-N 3.15Å
98E43.6Very low50.2Low189 Ų189139 Ų13988%0.88379%0.792SS**  trans-34.2102.6165.3-169.1176.6-164.700113.3
99M46.3Very low51.1Low170 Ų170141.4 Ų141.484%0.83779%0.793SS**  trans-142.694.3155.9-62.8-168.1-149.600107.7T97 M101T97-M99 PolarHBondContact O-N 3.46Å; T97-M99 VanDerWaalsContact O-N 3.15Å; M99-M101 PolarHBondContact O-N 3.02Å
100A44.1Very low51.6Low89 Ų89140.9 Ų140.974%0.73680%0.795SS**  trans-59.9116.7162.600000108.3
101M50.3Low53Low185 Ų185143.1 Ų143.191%0.91179%0.788SS**  trans176.6133.8143.4-100.2177.1-11400111.4M99M99-M101 PolarHBondContact O-N 3.02Å
102V49.4Very low53.8Low131 Ų131145.4 Ų145.479%0.79478%0.782SS**  trans79.789.7166.4-165.30000116.3P104V102-P104 WeakPolarHBondContact O-CD 3.5Å
103M54.4Low54.9Low170 Ų170144.5 Ų144.584%0.83777%0.768SS**  trans-58.6121.5157.4-77.7-73.1167.600109.4
104P55.4Low56Low104 Ų104142.7 Ų142.768%0.67575%0.753SS**  trans-74.5134.8169.931.5-29000107.6V102 Q106V102-P104 WeakPolarHBondContact O-CD 3.5Å; P104-Q106 PolarHBondContact O-N 3.46Å
105H56Low56.9Low185 Ų185142.5 Ų142.586%0.85674%0.742SS**  trans-36.697.4179.8-57.2-70.6000113.1L107H105-L107 PolarHBondContact O-N 3.01Å
106Q52.9Low58.2Low187 Ų187140.3 Ų140.387%0.87473%0.727SS**  trans-6998.6165-109.6-176.6-30.900106.2P104P104-Q106 PolarHBondContact O-N 3.46Å
107L57.7Low59.2Low152 Ų152140.5 Ų140.580%0.79672%0.717SS**  trans-55.7137.1165.4-72.6166000107.7H105H105-L107 PolarHBondContact O-N 3.01Å
108P64.1Low59.8Low99 Ų99140 Ų14064%0.64371%0.711SS**  trans-52141.6176.6-21.129.6000109.5M110P108-M110 VanDerWaalsContact C-N 3.27Å; P108-M110 PolarHBondContact O-N 3.46Å
109P66.3Low60.7Low131 Ų131135.5 Ų135.585%0.85169%0.692SS**  trans-59.495.5171.923.6-30.8000108.4Y111P109-Y111 PolarHBondContact O-N 3.07Å; P109-Y111 VanDerWaalsContact O-N 3.14Å
110M63.8Low61.5Low162 Ų162130.2 Ų130.280%0.79867%0.669SS**  trans-66.2109.4173.4-78.1-100-6200107.2P108 Y112P108-M110 VanDerWaalsContact C-N 3.27Å; P108-M110 PolarHBondContact O-N 3.46Å; M110-Y112 PolarHBondContact O-N 3.27Å
111Y73.3Confident62.1Low152 Ų152128.8 Ų128.860%0.59665%0.651SS**  trans-73.4118.2178.7-162.7-118.6000108.6P109 N113 D114P109-Y111 PolarHBondContact O-N 3.07Å; P109-Y111 VanDerWaalsContact O-N 3.14Å; Y111-N113 HydrophobicContact CD1-CB 3.69Å; Y111-N113 HydrophobicContact CE1-CB 3.64Å; Y111-N113 WeakPolarHBondContact CE1-ND2 3.05Å; Y111-N113 VanDerWaalsContact CZ-ND2 3.28Å; Y111-N113 PolarHBondContact O-N 2.95Å; Y111-N113 PolarHBondContact OH-ND2 3.11Å; Y111-D114 PolarHBondContact O-N 2.73Å
112Y68.6Low62.4Low175 Ų175125 Ų12569%0.68664%0.638SS**Hα-helixtrans-58.4-23.8-172.2-151.9-96000113.2M110 Y116M110-Y112 PolarHBondContact O-N 3.27Å; Y112-Y116 HydrophobicContact CD1-CD2 4.16Å; Y112-Y116 HydrophobicContact CD1-CE2 4.33Å; Y112-Y116 HydrophobicContact CE1-CD2 4.07Å; Y112-Y116 AromaticContact CE1-CE2 3.8Å; Y112-Y116 HydrophobicContact CE1-CE2 3.8Å; Y112-Y116 PolarHBondContact O-N 3.02Å
113N71.5Confident62.6Low90 Ų90127.4 Ų127.448%0.48164%0.638SS.*Hα-helixtrans-73.7-32.3178.3-63-43.2000112.8Y111 F115 Y116 E117Y111-N113 HydrophobicContact CD1-CB 3.69Å; Y111-N113 HydrophobicContact CE1-CB 3.64Å; Y111-N113 WeakPolarHBondContact CE1-ND2 3.05Å; Y111-N113 VanDerWaalsContact CZ-ND2 3.28Å; Y111-N113 PolarHBondContact O-N 2.95Å; Y111-N113 PolarHBondContact OH-ND2 3.11Å; N113-F115 VanDerWaalsContact C-N 3.31Å; N113-F115 PolarHBondContact O-N 2.88Å; N113-Y116 PolarHBondContact O-N 3.48Å; N113-E117 PolarHBondContact O-N 2.83Å
114D71.4Confident62.6Low99 Ų99128.9 Ų128.953%0.52964%0.635SS.*Hα-helixtrans-67.6-37.1179.8-60.9-13.1000110.4Y111 Y116 E117 D118Y111-D114 PolarHBondContact O-N 2.73Å; D114-Y116 VanDerWaalsContact C-N 3.34Å; D114-Y116 PolarHBondContact O-N 3.43Å; D114-E117 PolarHBondContact O-N 2.97Å; D114-D118 WeakPolarHBondContact O-CB 3.39Å; D114-D118 PolarHBondContact O-N 3.32Å
115F65.7Low62.2Low106 Ų106129 Ų12947%0.46563%0.63SS.*Hα-helixtrans-64.3-37.9174.4-176.4-102.2000112.4N113 L119N113-F115 VanDerWaalsContact C-N 3.31Å; N113-F115 PolarHBondContact O-N 2.88Å; F115-L119 HydrophobicContact CD1-CD1 3.68Å; F115-L119 HydrophobicContact CD1-CG 4.45Å; F115-L119 HydrophobicContact CE1-CD1 3.25Å; F115-L119 HydrophobicContact CE1-CG 4.16Å; F115-L119 HydrophobicContact CZ-CD1 3.77Å; F115-L119 HydrophobicContact CZ-CG 4.29Å; F115-L119 WeakPolarHBondContact O-CB 3.17Å; F115-L119 VanDerWaalsContact O-CG 3.31Å; F115-L119 WeakPolarHBondContact O-CG 3.36Å; F115-L119 PolarHBondContact O-N 3.46Å
116Y69Low61.8Low138 Ų138126 Ų12654%0.54162%0.62SS.*Hα-helixtrans-71.2-41.4177-107-88.2000112Y112 N113 D114 L119 V120Y112-Y116 HydrophobicContact CD1-CD2 4.16Å; Y112-Y116 HydrophobicContact CD1-CE2 4.33Å; Y112-Y116 HydrophobicContact CE1-CD2 4.07Å; Y112-Y116 AromaticContact CE1-CE2 3.8Å; Y112-Y116 HydrophobicContact CE1-CE2 3.8Å; Y112-Y116 PolarHBondContact O-N 3.02Å; N113-Y116 PolarHBondContact O-N 3.48Å; D114-Y116 VanDerWaalsContact C-N 3.34Å; D114-Y116 PolarHBondContact O-N 3.43Å; Y116-L119 PolarHBondContact O-N 2.82Å; Y116-V120 WeakPolarHBondContact O-CB 3.28Å; Y116-V120 WeakPolarHBondContact O-CG2 3.5Å; Y116-V120 PolarHBondContact O-N 2.84Å
117E67.2Low61.7Low120 Ų120122.8 Ų122.856%0.56161%0.613SS**Hα-helixtrans-61.3-42.8173.2-79-71.9153.900111.1N113 D114 L119 V120 T121N113-E117 PolarHBondContact O-N 2.83Å; D114-E117 PolarHBondContact O-N 2.97Å; E117-L119 PolarHBondContact O-N 2.94Å; E117-V120 PolarHBondContact O-N 2.91Å; E117-T121 VanDerWaalsContact O-CB 3.28Å; E117-T121 WeakPolarHBondContact O-CB 3.26Å; E117-T121 WeakPolarHBondContact O-CG2 3.4Å; E117-T121 PolarHBondContact O-N 3.41Å; E117-T121 PolarHBondContact O-OG1 2.89Å
118D65.3Low61.3Low107 Ų107123 Ų12357%0.57261%0.61SS**Hα-helixtrans-62.2-42175.3-83.6-5.9000112D114 T121 T122D114-D118 WeakPolarHBondContact O-CB 3.39Å; D114-D118 PolarHBondContact O-N 3.32Å; D118-T121 WeakPolarHBondContact CA-OG1 3.37Å; D118-T121 PolarHBondContact O-OG1 3.04Å; D118-T121 VanDerWaalsContact O-OG1 3.1Å; D118-T122 VanDerWaalsContact O-CB 3.26Å; D118-T122 WeakPolarHBondContact O-CB 3.42Å; D118-T122 PolarHBondContact O-N 3.02Å; D118-T122 PolarHBondContact O-OG1 2.74Å
119L62.2Low60.6Low94 Ų94121.9 Ų121.949%0.49260%0.604SS.*Hα-helixtrans-66.1-38.3175.5-75.1172.1000112.5F115 Y116 E117 K123F115-L119 HydrophobicContact CD1-CD1 3.68Å; F115-L119 HydrophobicContact CD1-CG 4.45Å; F115-L119 HydrophobicContact CE1-CD1 3.25Å; F115-L119 HydrophobicContact CE1-CG 4.16Å; F115-L119 HydrophobicContact CZ-CD1 3.77Å; F115-L119 HydrophobicContact CZ-CG 4.29Å; F115-L119 WeakPolarHBondContact O-CB 3.17Å; F115-L119 VanDerWaalsContact O-CG 3.31Å; F115-L119 WeakPolarHBondContact O-CG 3.36Å; F115-L119 PolarHBondContact O-N 3.46Å; Y116-L119 PolarHBondContact O-N 2.82Å; E117-L119 PolarHBondContact O-N 2.94Å; L119-K123 PolarHBondContact O-N 3.21Å
120V62.6Low59.7Low58 Ų58120.5 Ų120.535%0.35260%0.604SS.*Hα-helixtrans-76.8-36.9-178.8172.90000111.7Y116 E117 K123 R124Y116-V120 WeakPolarHBondContact O-CB 3.28Å; Y116-V120 WeakPolarHBondContact O-CG2 3.5Å; Y116-V120 PolarHBondContact O-N 2.84Å; E117-V120 PolarHBondContact O-N 2.91Å; V120-K123 WeakPolarHBondContact O-CB 3.31Å; V120-K123 PolarHBondContact O-N 2.73Å; V120-R124 PolarHBondContact O-N 2.76Å
121T57.6Low59.1Low60 Ų60115 Ų11537%0.36859%0.588SS.*Hα-helixtrans-71.4-36.5175.453.90000111.3E117 D118 K123 R124 N125E117-T121 VanDerWaalsContact O-CB 3.28Å; E117-T121 WeakPolarHBondContact O-CB 3.26Å; E117-T121 WeakPolarHBondContact O-CG2 3.4Å; E117-T121 PolarHBondContact O-N 3.41Å; E117-T121 PolarHBondContact O-OG1 2.89Å; D118-T121 WeakPolarHBondContact CA-OG1 3.37Å; D118-T121 PolarHBondContact O-OG1 3.04Å; D118-T121 VanDerWaalsContact O-OG1 3.1Å; T121-K123 PolarHBondContact O-N 3.31Å; T121-R124 PolarHBondContact O-N 2.82Å; T121-R124 VanDerWaalsContact O-N 3.07Å; T121-N125 PolarHBondContact O-N 3.45Å; T121-N125 VanDerWaalsContact O-N 3.15Å
122T55.9Low58.5Low104 Ų104110 Ų11064%0.63858%0.575SS**Hα-helixtrans-62.3-34.5171-52.90000111.3D118 R124D118-T122 VanDerWaalsContact O-CB 3.26Å; D118-T122 WeakPolarHBondContact O-CB 3.42Å; D118-T122 PolarHBondContact O-N 3.02Å; D118-T122 PolarHBondContact O-OG1 2.74Å; T122-R124 VanDerWaalsContact C-N 3.31Å; T122-R124 PolarHBondContact O-N 2.69Å
123K54.5Low58.5Low183 Ų183105.9 Ų105.980%0.79657%0.565SS**Hα-helixtrans-73-18.1174.8-159.3-177.6-179.9-178.20113.9L119 V120 T121L119-K123 PolarHBondContact O-N 3.21Å; V120-K123 WeakPolarHBondContact O-CB 3.31Å; V120-K123 PolarHBondContact O-N 2.73Å; T121-K123 PolarHBondContact O-N 3.31Å
124R53.5Low58.9Low201 Ų201102.2 Ų102.276%0.75855%0.546SS*.Hα-helixtrans-99.1-9.4178.5-81.8-172.1169.4124.6-3.1114.4V120 T121 T122 D126V120-R124 PolarHBondContact O-N 2.76Å; T121-R124 PolarHBondContact O-N 2.82Å; T121-R124 VanDerWaalsContact O-N 3.07Å; T122-R124 VanDerWaalsContact C-N 3.31Å; T122-R124 PolarHBondContact O-N 2.69Å; R124-D126 PolarHBondContact O-N 2.84Å
125N48.2Very low59.6Low107 Ų107102.5 Ų102.557%0.57254%0.542SS*.  trans-80.974169.1-77.9-37.7000110.2T121 V127T121-N125 PolarHBondContact O-N 3.45Å; T121-N125 VanDerWaalsContact O-N 3.15Å; N125-V127 PolarHBondContact O-N 2.81Å
126D47.3Very low60.5Low121 Ų121100.5 Ų100.565%0.64754%0.539SS*.THydrogen-bonded Turntrans-58.316.2166.7-98.2-32.6000113.7R124 H128 S129R124-D126 PolarHBondContact O-N 2.84Å; D126-H128 VanDerWaalsContact C-N 3.26Å; D126-H128 PolarHBondContact O-N 3.27Å; D126-S129 PolarHBondContact O-N 3.21Å; D126-S129 PolarHBondContact OD1-OG 2.75Å
127V50.5Low61.5Low120 Ų12096.6 Ų96.673%0.72753%0.529SS*.THydrogen-bonded Turntrans-77.8-13.3177.7-178.60000111.4N125N125-V127 PolarHBondContact O-N 2.81Å
128H48.5Very low62.8Low157 Ų15796.3 Ų96.373%0.72753%0.532SS*.SBendtrans-95.2-13.6170.6-67-46.2000114.3D126 A130D126-H128 VanDerWaalsContact C-N 3.26Å; D126-H128 PolarHBondContact O-N 3.27Å; H128-A130 PolarHBondContact O-N 3.17Å
129S48.9Very low64.2Low75 Ų7595.8 Ų95.852%0.52453%0.526SS..THydrogen-bonded Turntrans-87.4-1.7-171.7-58.20000115.3D126D126-S129 PolarHBondContact O-N 3.21Å; D126-S129 PolarHBondContact OD1-OG 2.75Å
130A47.8Very low65.8Low102 Ų10296.9 Ų96.984%0.84353%0.532SS*.THydrogen-bonded Turntrans-915.5176.200000113.8H128H128-A130 PolarHBondContact O-N 3.17Å
131G51.4Low67.4Low45 Ų4596.4 Ų96.446%0.46453%0.528SS..SBendtrans-125.267.2-166.300000114.7
132C60.6Low69.3Low48 Ų4897.1 Ų97.132%0.32453%0.53SS..  trans51.965.9167.1-53.30000113.8S169 C216C132-S169 WeakPolarHBondContact SG-CB 3.2Å; C132-S169 PolarHBondContact SG-N 3.37Å; C132-S169 VanDerWaalsContact SG-N 3.4Å; C132-S169 PolarHBondContact SG-OG 2.85Å; C132-C216 HydrophobicContact CB-CB 4.5Å; C132-C216 PolarHBondContact O-SG 3.49Å
133D69Low71.2Confident89 Ų8993.9 Ų93.948%0.47651%0.509SS..PPolyproline II helixtrans-88.2132.7178.1-71.4-32.6000111.1A166D133-A166 VanDerWaalsContact O-CB 3.28Å; D133-A166 WeakPolarHBondContact O-CB 3.45Å
134C80.7Confident73.1Confident13 Ų1386.3 Ų86.39%0.08848%0.483CS..PPolyproline II helixtrans-69.7139.9165-690000108.9V136 C174 C214 C216C134-V136 WeakPolarHBondContact O-CG2 3.34Å; C134-V136 PolarHBondContact O-N 2.83Å; C134-C174 WeakPolarHBondContact CA-SG 3Å; C134-C174 HydrophobicContact CB-CB 3.94Å; C134-C174 WeakPolarHBondContact CB-SG 3.28Å; C134-C174 WeakPolarHBondContact SG-CA 3.46Å; C134-C174 WeakPolarHBondContact SG-CB 3.23Å; C134-C174 CovalentContact SG-SG 2.03Å; C134-C174 PolarHBondContact SG-SG 2.68Å; C134-C214 HydrophobicContact CB-CB 3.65Å; C134-C216 VanDerWaalsContact SG-SG 3.63Å
135K84.4Confident75Confident105 Ų10580 Ų8046%0.45748%0.48SS..EExtended strand (participates in β ladder)trans-69.2120.1168-178.6171.3175.2-150.50108.1E158 A166K135-E158 HydrophobicContact CB-CB 4.04Å; K135-E158 HydrophobicContact CD-CB 4.35Å; K135-E158 WeakPolarHBondContact CD-OE2 3.43Å; K135-E158 VanDerWaalsContact CE-CD 3.45Å; K135-E158 WeakPolarHBondContact CE-OE1 3.41Å; K135-E158 WeakPolarHBondContact CE-OE2 3.06Å; K135-E158 HydrophobicContact CG-CB 4.11Å; K135-E158 HydrophobicContact CG-CG 4.35Å; K135-E158 IonicContact NZ-OE1 3.35Å; K135-E158 PolarHBondContact NZ-OE1 2.73Å; K135-E158 IonicContact NZ-OE2 2.68Å; K135-E158 PolarHBondContact NZ-OE2 2.73Å; K135-E158 PolarHBondContact O-N 3.16Å; K135-A166 HydrophobicContact CB-CB 3.75Å
136V86.1Confident77.2Confident63 Ų6378.2 Ų78.238%0.38247%0.47SS..EExtended strand (participates in β ladder)trans-113.2127.7-179.5-1720000109C134 A155 V156 C214C134-V136 WeakPolarHBondContact O-CG2 3.34Å; C134-V136 PolarHBondContact O-N 2.83Å; V136-A155 HydrophobicContact CG1-CB 3.68Å; V136-V156 WeakPolarHBondContact CA-O 3.35Å; V136-C214 HydrophobicContact CG2-CB 3.68Å
137T90.6Very high79.5Confident56 Ų5674.1 Ų74.134%0.34445%0.447SS..EExtended strand (participates in β ladder)trans-110.3152.1165.541.80000110A155 V156 E158T137-A155 CarbonylContact O-C 3.57Å; T137-A155 WeakPolarHBondContact O-CA 3.15Å; T137-V156 PolarHBondContact N-O 3.21Å; T137-V156 PolarHBondContact O-N 3.01Å; T137-E158 HydrophobicContact CG2-CG 4.5Å; T137-E158 WeakPolarHBondContact CG2-OE1 3.34Å
138N92.6Very high81.6Confident115 Ų11574.8 Ų74.862%0.61544%0.44SS*.EExtended strand (participates in β ladder)trans-107.6130.6178.1-72.7-29.2000109.2M153 N154N138-M153 HydrophobicContact CB-SD 3.74Å; N138-N154 WeakPolarHBondContact CA-O 3.41Å
139E94.9Very high83.9Confident96 Ų9670.1 Ų70.145%0.44942%0.424SS..EExtended strand (participates in β ladder)trans-120.8157.9172.571.6-176.6-179.700110.5N154 V156E139-N154 HydrophobicContact CG-CB 3.84Å; E139-N154 PolarHBondContact N-O 3.29Å; E139-N154 PolarHBondContact O-N 3.24Å; E139-N154 PolarHBondContact OE1-ND2 3.2Å; E139-V156 HydrophobicContact CB-CG2 4.36Å; E139-V156 HydrophobicContact CG-CG2 3.71Å; E139-V156 WeakPolarHBondContact OE1-CG2 3.48Å
140L96.7Very high86.2Confident117 Ų11771.9 Ų71.961%0.61342%0.419SS*.EExtended strand (participates in β ladder)trans-101.1125173.3-70.1173.5000109.6L152 M153L140-L152 CarbonylContact C-O 3.53Å; L140-L152 WeakPolarHBondContact CA-O 3.24Å; L140-M153 HydrophobicContact CD2-CE 4.02Å; L140-M153 HydrophobicContact CD2-SD 4.11Å
141V96.3Very high88.6Confident47 Ų4772.1 Ų72.129%0.28540%0.401SS..EExtended strand (participates in β ladder)trans-92.4117.3173.4178.70000108.5L143 F151 L152 N154V141-L143 HydrophobicContact CG1-CD2 4.16Å; V141-F151 WeakPolarHBondContact O-CA 3.32Å; V141-L152 PolarHBondContact N-O 2.83Å; V141-L152 PolarHBondContact O-N 3.31Å; V141-N154 HydrophobicContact CG2-CB 3.54Å
142D97.5Very high90.8Very high76 Ų7670.9 Ų70.941%0.40638%0.384SS..EExtended strand (participates in β ladder)trans-85.2115.4173.6-170.6-0.5000110.3G144 R150 F151D142-G144 VanDerWaalsContact C-N 3.33Å; D142-G144 WeakPolarHBondContact OD1-CA 3.48Å; D142-G144 PolarHBondContact OD1-N 2.78Å; D142-R150 WeakPolarHBondContact OD1-CG 3.4Å; D142-R150 IonicContact OD1-CZ 3.72Å; D142-R150 IonicContact OD1-NE 2.82Å; D142-R150 PolarHBondContact OD1-NE 2.8Å; D142-R150 IonicContact OD1-NH2 3.73Å; D142-R150 IonicContact OD2-CZ 3.45Å; D142-R150 IonicContact OD2-NE 3.31Å; D142-R150 PolarHBondContact OD2-NE 3.46Å; D142-R150 IonicContact OD2-NH2 2.74Å; D142-R150 PolarHBondContact OD2-NH2 3.07Å; D142-F151 HydrophobicContact CB-CD1 3.9Å; D142-F151 HydrophobicContact CB-CE1 3.71Å; D142-F151 VanDerWaalsContact CG-CE1 3.48Å
143L96.2Very high92.5Very high35 Ų3574 Ų7418%0.18340%0.395CS..  trans-84-10.1174.9-57.8-179.2000112.7V141 H147 R150 L152 V183 V208V141-L143 HydrophobicContact CG1-CD2 4.16Å; L143-H147 HydrophobicContact CB-CB 3.58Å; L143-H147 HydrophobicContact CD1-CB 4.06Å; L143-H147 PolarHBondContact O-CE1 3.23Å; L143-H147 VanDerWaalsContact O-CE1 3.27Å; L143-H147 PolarHBondContact O-ND1 2.61Å; L143-R150 WeakPolarHBondContact CB-O 3.26Å; L143-R150 PolarHBondContact N-O 2.92Å; L143-L152 HydrophobicContact CD1-CD1 3.68Å; L143-L152 HydrophobicContact CD1-CG 3.88Å; L143-L152 HydrophobicContact CD2-CD1 4.28Å; L143-L152 HydrophobicContact CG-CD1 4.24Å; L143-L152 HydrophobicContact CG-CG 4.33Å; L143-V183 HydrophobicContact CD1-CB 4.32Å; L143-V183 HydrophobicContact CD1-CG1 3.93Å; L143-V183 HydrophobicContact CD1-CG2 4.12Å; L143-V208 HydrophobicContact CD1-CG2 4.3Å; L143-V208 HydrophobicContact CD2-CG1 4.12Å; L143-V208 HydrophobicContact CD2-CG2 4.34Å
144G94.6Very high93.7Very high25 Ų2570.8 Ų70.826%0.25838%0.378SS..  trans90.2170.9-177.100000114.3D142 L146 H147D142-G144 VanDerWaalsContact C-N 3.33Å; D142-G144 WeakPolarHBondContact OD1-CA 3.48Å; D142-G144 PolarHBondContact OD1-N 2.78Å; G144-L146 PolarHBondContact O-N 3.1Å; G144-L146 VanDerWaalsContact O-N 3.11Å; G144-H147 PolarHBondContact O-N 2.95Å
145G93.5Very high94.4Very high67 Ų6770.3 Ų70.369%0.69138%0.375SS*.THydrogen-bonded Turntrans-67.8-9-172.300000116.2
146L92.8Very high94.7Very high70 Ų7067.6 Ų67.637%0.36637%0.367SS..THydrogen-bonded Turntrans-94.59177.1-60.2178.2000113G144 A185 Q186 W203G144-L146 PolarHBondContact O-N 3.1Å; G144-L146 VanDerWaalsContact O-N 3.11Å; L146-A185 CarbonylContact O-C 3.51Å; L146-A185 WeakPolarHBondContact O-CA 3.4Å; L146-Q186 HydrophobicContact CB-CB 4.31Å; L146-Q186 HydrophobicContact CD2-CB 4.33Å; L146-Q186 PolarHBondContact O-N 3.15Å; L146-W203 WeakPolarHBondContact O-CZ3 3.01Å
147H95.3Very high94.9Very high35 Ų3565.9 Ų65.916%0.16236%0.357CS..EExtended strand (participates in β ladder)trans-121.5145.7-179.9-65.186.9000111.9L143 G144 R150 L184L143-H147 HydrophobicContact CB-CB 3.58Å; L143-H147 HydrophobicContact CD1-CB 4.06Å; L143-H147 PolarHBondContact O-CE1 3.23Å; L143-H147 VanDerWaalsContact O-CE1 3.27Å; L143-H147 PolarHBondContact O-ND1 2.61Å; G144-H147 PolarHBondContact O-N 2.95Å; H147-R150 PolarHBondContact O-N 2.82Å; H147-L184 CarbonylContact C-O 3.56Å; H147-L184 VanDerWaalsContact CA-O 3.24Å; H147-L184 WeakPolarHBondContact CA-O 2.93Å
148F95.7Very high94.5Very high134 Ų13466.3 Ų66.359%0.58836%0.356SS*.EExtended strand (participates in β ladder)trans-133122.2172.1-177-93.1000111.2L184 W203F148-L184 HydrophobicContact CB-CB 4.27Å; F148-L184 HydrophobicContact CD1-CD1 4.22Å; F148-L184 PolarHBondContact N-O 3.27Å; F148-L184 PolarHBondContact O-N 2.82Å; F148-W203 HydrophobicContact CB-CH2 4.33Å; F148-W203 HydrophobicContact CB-CZ3 4.19Å
149P96.9Very high93.3Very high59 Ų5964.8 Ų64.838%0.38335%0.354SS..SBendcis-64.7150.5-8.629.4-35.8000111.9L152P149-L152 HydrophobicContact CG-CD2 3.82Å
150R97.1Very high91.7Very high112 Ų11262.2 Ų62.242%0.42335%0.353SS..SBendtrans-71.1-44179.2172.7174.1175.4-175.9-2.8112.5D142 L143 H147D142-R150 WeakPolarHBondContact OD1-CG 3.4Å; D142-R150 IonicContact OD1-CZ 3.72Å; D142-R150 IonicContact OD1-NE 2.82Å; D142-R150 PolarHBondContact OD1-NE 2.8Å; D142-R150 IonicContact OD1-NH2 3.73Å; D142-R150 IonicContact OD2-CZ 3.45Å; D142-R150 IonicContact OD2-NE 3.31Å; D142-R150 PolarHBondContact OD2-NE 3.46Å; D142-R150 IonicContact OD2-NH2 2.74Å; D142-R150 PolarHBondContact OD2-NH2 3.07Å; L143-R150 WeakPolarHBondContact CB-O 3.26Å; L143-R150 PolarHBondContact N-O 2.92Å; H147-R150 PolarHBondContact O-N 2.82Å
151F98Very high89.7Confident107 Ų10761.9 Ų61.947%0.46937%0.367SS..EExtended strand (participates in β ladder)trans-104.9133.3-177.4-58.9-78000110V141 D142V141-F151 WeakPolarHBondContact O-CA 3.32Å; D142-F151 HydrophobicContact CB-CD1 3.9Å; D142-F151 HydrophobicContact CB-CE1 3.71Å; D142-F151 VanDerWaalsContact CG-CE1 3.48Å
152L97Very high87.8Confident19 Ų1961.9 Ų61.910%0.09938%0.377CS..EExtended strand (participates in β ladder)trans-115.4142.4172.7-63.3-179.6000110.3L140 V141 L143 P149 V181 V183 V208 V210L140-L152 CarbonylContact C-O 3.53Å; L140-L152 WeakPolarHBondContact CA-O 3.24Å; V141-L152 PolarHBondContact N-O 2.83Å; V141-L152 PolarHBondContact O-N 3.31Å; L143-L152 HydrophobicContact CD1-CD1 3.68Å; L143-L152 HydrophobicContact CD1-CG 3.88Å; L143-L152 HydrophobicContact CD2-CD1 4.28Å; L143-L152 HydrophobicContact CG-CD1 4.24Å; L143-L152 HydrophobicContact CG-CG 4.33Å; P149-L152 HydrophobicContact CG-CD2 3.82Å; L152-V181 HydrophobicContact CD1-CG2 3.61Å; L152-V181 HydrophobicContact CD2-CG2 4.33Å; L152-V183 HydrophobicContact CD1-CG1 4.1Å; L152-V183 HydrophobicContact CD2-CG1 4.13Å; L152-V208 HydrophobicContact CD1-CB 4.12Å; L152-V208 HydrophobicContact CD1-CG1 3.81Å; L152-V210 HydrophobicContact CB-CG1 4.01Å; L152-V210 HydrophobicContact CD1-CG1 3.73Å
153M96.2Very high85.8Confident114 Ų11470.8 Ų70.856%0.56241%0.405SS*.EExtended strand (participates in β ladder)trans-76.1132171.1-168.666.872.200109.8N138 L140N138-M153 HydrophobicContact CB-SD 3.74Å; L140-M153 HydrophobicContact CD2-CE 4.02Å; L140-M153 HydrophobicContact CD2-SD 4.11Å
154N95.6Very high83.9Confident21 Ų2176.8 Ų76.811%0.11244%0.437CS..EExtended strand (participates in β ladder)trans-130.5128.1177.4-173.353.1000110.1N138 E139 V141 T211N138-N154 WeakPolarHBondContact CA-O 3.41Å; E139-N154 HydrophobicContact CG-CB 3.84Å; E139-N154 PolarHBondContact N-O 3.29Å; E139-N154 PolarHBondContact O-N 3.24Å; E139-N154 PolarHBondContact OE1-ND2 3.2Å; V141-N154 HydrophobicContact CG2-CB 3.54Å; N154-T211 WeakPolarHBondContact OD1-CA 3.37Å; N154-T211 VanDerWaalsContact OD1-CB 3.3Å; N154-T211 WeakPolarHBondContact OD1-CB 2.74Å; N154-T211 PolarHBondContact OD1-N 3.36Å; N154-T211 PolarHBondContact OD1-OG1 2.86Å
155A94.3Very high82.1Confident4 Ų478.4 Ų78.43%0.03344%0.439CS..EExtended strand (participates in β ladder)trans-86.2131.6174.900000110.5V136 T137 T211V136-A155 HydrophobicContact CG1-CB 3.68Å; T137-A155 CarbonylContact O-C 3.57Å; T137-A155 WeakPolarHBondContact O-CA 3.15Å; A155-T211 HydrophobicContact CB-CG2 4.08Å; A155-T211 WeakPolarHBondContact CB-O 3.45Å; A155-T211 PolarHBondContact N-O 2.85Å; A155-T211 WeakPolarHBondContact O-CB 2.89Å; A155-T211 WeakPolarHBondContact O-CG2 2.97Å
156V91.9Very high80.5Confident48 Ų4877.1 Ų77.129%0.29142%0.422SS..EExtended strand (participates in β ladder)trans-109.8123.4177.9-178.30000108.7V136 T137 E139 E158V136-V156 WeakPolarHBondContact CA-O 3.35Å; T137-V156 PolarHBondContact N-O 3.21Å; T137-V156 PolarHBondContact O-N 3.01Å; E139-V156 HydrophobicContact CB-CG2 4.36Å; E139-V156 HydrophobicContact CG-CG2 3.71Å; E139-V156 WeakPolarHBondContact OE1-CG2 3.48Å; V156-E158 PolarHBondContact O-N 3.38Å
157C88.5Confident79.3Confident26 Ų2680.6 Ų80.618%0.17644%0.435CS..EExtended strand (participates in β ladder)trans-84.1105.9178.1-49.30000109.9S159 P176 C214C157-S159 PolarHBondContact O-N 3.01Å; C157-P176 VanDerWaalsContact SG-CA 3.53Å; C157-C214 WeakPolarHBondContact CA-SG 3.11Å; C157-C214 HydrophobicContact CB-CB 3.89Å; C157-C214 WeakPolarHBondContact CB-SG 3.09Å; C157-C214 PolarHBondContact N-SG 3.27Å; C157-C214 WeakPolarHBondContact SG-CB 3.4Å; C157-C214 CovalentContact SG-SG 2.02Å; C157-C214 PolarHBondContact SG-SG 3.09Å
158E82.2Confident78.4Confident66 Ų6679.5 Ų79.531%0.30843%0.431SS..EExtended strand (participates in β ladder)trans-73.3102.5175.3-70.8-170.4-152.500110.3K135 T137 V156K135-E158 HydrophobicContact CB-CB 4.04Å; K135-E158 HydrophobicContact CD-CB 4.35Å; K135-E158 WeakPolarHBondContact CD-OE2 3.43Å; K135-E158 VanDerWaalsContact CE-CD 3.45Å; K135-E158 WeakPolarHBondContact CE-OE1 3.41Å; K135-E158 WeakPolarHBondContact CE-OE2 3.06Å; K135-E158 HydrophobicContact CG-CB 4.11Å; K135-E158 HydrophobicContact CG-CG 4.35Å; K135-E158 IonicContact NZ-OE1 3.35Å; K135-E158 PolarHBondContact NZ-OE1 2.73Å; K135-E158 IonicContact NZ-OE2 2.68Å; K135-E158 PolarHBondContact NZ-OE2 2.73Å; K135-E158 PolarHBondContact O-N 3.16Å; T137-E158 HydrophobicContact CG2-CG 4.5Å; T137-E158 WeakPolarHBondContact CG2-OE1 3.34Å; V156-E158 PolarHBondContact O-N 3.38Å
159S69.2Low77.3Confident83 Ų8375.8 Ų75.858%0.5842%0.421SS*.  trans-100.866.3167.9-58.50000108.7C157C157-S159 PolarHBondContact O-N 3.01Å
160G60.4Low76.1Confident41 Ų4181.6 Ų81.642%0.42344%0.443SS..  trans-63.8156176.500000111L165G160-L165 WeakPolarHBondContact O-CD1 3.49Å; G160-L165 WeakPolarHBondContact O-CD2 3.42Å; G160-L165 WeakPolarHBondContact O-CG 3.09Å
161A55.1Low74.9Confident111 Ų11179.2 Ų79.292%0.91745%0.453SS*.  trans-100.314.2167.700000112.2
162G56.5Low74.1Confident47 Ų4774.8 Ų74.849%0.48544%0.436SS..SBendtrans-75.3-176.7-175.500000115.3D164 L165G162-D164 PolarHBondContact O-N 2.81Å; G162-L165 WeakPolarHBondContact O-CD1 3.3Å
163R55.2Low73.4Confident263 Ų26378.3 Ų78.399%0.99246%0.455SS*.THydrogen-bonded Turntrans-78.8-9.9177.3-67.2-175.3-175.5-171.72.1113.5
164D55.8Low72.9Confident161 Ų16173.7 Ų73.786%0.86143%0.433SS*.THydrogen-bonded Turntrans-11941-171.5-1429.3000111.5G162 A166G162-D164 PolarHBondContact O-N 2.81Å; D164-A166 PolarHBondContact O-N 3.48Å
165L57.5Low72.6Confident58 Ų5879.4 Ų79.430%0.30445%0.453SS..  trans-72.3125.5174.7-85.478.2000108.9G160 G162 K167G160-L165 WeakPolarHBondContact O-CD1 3.49Å; G160-L165 WeakPolarHBondContact O-CD2 3.42Å; G160-L165 WeakPolarHBondContact O-CG 3.09Å; G162-L165 WeakPolarHBondContact O-CD1 3.3Å; L165-K167 HydrophobicContact CB-CD 4.15Å; L165-K167 HydrophobicContact CB-CG 3.33Å; L165-K167 HydrophobicContact CD2-CD 4.36Å; L165-K167 HydrophobicContact CD2-CG 3.82Å; L165-K167 HydrophobicContact CG-CG 4.23Å; L165-K167 PolarHBondContact O-N 2.73Å
166A60.1Low72.6Confident40 Ų4082 Ų8233%0.33147%0.469SS..  trans-59.592.2147.200000107.7D133 K135 D164D133-A166 VanDerWaalsContact O-CB 3.28Å; D133-A166 WeakPolarHBondContact O-CB 3.45Å; K135-A166 HydrophobicContact CB-CB 3.75Å; D164-A166 PolarHBondContact O-N 3.48Å
167K66.7Low72.6Confident144 Ų14484.1 Ų84.163%0.62648%0.479SS*.PPolyproline II helixtrans-91.5123.9-177.5-66.2-174.4-173.1177.10108.6L165L165-K167 HydrophobicContact CB-CD 4.15Å; L165-K167 HydrophobicContact CB-CG 3.33Å; L165-K167 HydrophobicContact CD2-CD 4.36Å; L165-K167 HydrophobicContact CD2-CG 3.82Å; L165-K167 HydrophobicContact CG-CG 4.23Å; L165-K167 PolarHBondContact O-N 2.73Å
168C75.8Confident73Confident12 Ų1289.5 Ų89.58%0.08150%0.501CS..PPolyproline II helixtrans-53.9144157.4-60.20000110.4S172 C174 C216C168-S172 WeakPolarHBondContact CB-O 2.99Å; C168-S172 WeakPolarHBondContact CB-OG 3.06Å; C168-C174 PolarHBondContact SG-SG 3.35Å; C168-C216 WeakPolarHBondContact CA-SG 3.47Å; C168-C216 HydrophobicContact CB-CB 3.55Å; C168-C216 WeakPolarHBondContact CB-SG 3.05Å; C168-C216 VanDerWaalsContact SG-CA 3.5Å; C168-C216 WeakPolarHBondContact SG-CB 3.13Å; C168-C216 CovalentContact SG-SG 2.02Å; C168-C216 PolarHBondContact SG-SG 3.35Å
169S73.7Confident73.7Confident55 Ų5593.3 Ų93.339%0.38551%0.514SS..SBendtrans-69.1152.7-177.162.40000113.3C132 G171 S172C132-S169 WeakPolarHBondContact SG-CB 3.2Å; C132-S169 PolarHBondContact SG-N 3.37Å; C132-S169 VanDerWaalsContact SG-N 3.4Å; C132-S169 PolarHBondContact SG-OG 2.85Å; S169-G171 PolarHBondContact O-N 2.73Å; S169-S172 PolarHBondContact N-OG 2.83Å; S169-S172 WeakPolarHBondContact O-CB 3.42Å; S169-S172 PolarHBondContact O-N 2.9Å; S169-S172 VanDerWaalsContact O-N 3.09Å; S169-S172 PolarHBondContact O-OG 2.78Å
170H71.3Confident75Confident181 Ų18196.6 Ų96.684%0.83852%0.518SS*.THydrogen-bonded Turntrans46.454.6162.7-63.6-71.8000116.1S172H170-S172 PolarHBondContact O-N 3.47Å
171G72.2Confident76.7Confident62 Ų6296.1 Ų96.164%0.63951%0.507SS*.THydrogen-bonded Turntrans76.34.5173.100000115S169S169-G171 PolarHBondContact O-N 2.73Å
172S80.3Confident78.8Confident15 Ų1598.3 Ų98.311%0.10550%0.495CS..  trans-72.5153.9167.953.50000111.3C168 S169 H170 T217C168-S172 WeakPolarHBondContact CB-O 2.99Å; C168-S172 WeakPolarHBondContact CB-OG 3.06Å; S169-S172 PolarHBondContact N-OG 2.83Å; S169-S172 WeakPolarHBondContact O-CB 3.42Å; S169-S172 PolarHBondContact O-N 2.9Å; S169-S172 VanDerWaalsContact O-N 3.09Å; S169-S172 PolarHBondContact O-OG 2.78Å; H170-S172 PolarHBondContact O-N 3.47Å; S172-T217 CarbonylContact C-O 3.43Å; S172-T217 WeakPolarHBondContact CA-O 3.34Å; S172-T217 VanDerWaalsContact CB-C 3.42Å; S172-T217 WeakPolarHBondContact CB-O 3.46Å
173N82.8Confident80.7Confident93 Ų9396.1 Ų96.150%0.49747%0.473SS..EExtended strand (participates in β ladder)trans-120.7146.8-178-63-70.6000110R175 T217N173-R175 PolarHBondContact O-N 3.22Å; N173-T217 PolarHBondContact N-O 3.43Å; N173-T217 PolarHBondContact O-N 3.42Å
174C86.8Confident82.6Confident17 Ų1785.9 Ų85.912%0.11544%0.437CS..EExtended strand (participates in β ladder)trans-68.2127.8171.4-74.70000110.5C134 C168C134-C174 WeakPolarHBondContact CA-SG 3Å; C134-C174 HydrophobicContact CB-CB 3.94Å; C134-C174 WeakPolarHBondContact CB-SG 3.28Å; C134-C174 WeakPolarHBondContact SG-CA 3.46Å; C134-C174 WeakPolarHBondContact SG-CB 3.23Å; C134-C174 CovalentContact SG-SG 2.03Å; C134-C174 PolarHBondContact SG-SG 2.68Å; C168-C174 PolarHBondContact SG-SG 3.35Å
175R89.5Confident84.5Confident141 Ų14178.8 Ų78.853%0.53240%0.401SS..EExtended strand (participates in β ladder)trans-126144.1174.4-66.3-64.6-171.9169.30.3110.8N173 C214 F215 T217N173-R175 PolarHBondContact O-N 3.22Å; R175-C214 WeakPolarHBondContact O-CA 3.38Å; R175-F215 HydrophobicContact CB-CE1 4.21Å; R175-F215 HydrophobicContact CB-CE2 4.4Å; R175-F215 HydrophobicContact CB-CZ 4.06Å; R175-F215 PolarHBondContact N-O 3.24Å; R175-F215 WeakPolarHBondContact O-CD1 2.95Å; R175-F215 PolarHBondContact O-N 3.21Å; R175-T217 HydrophobicContact CB-CG2 4.24Å; R175-T217 HydrophobicContact CG-CG2 3.37Å
176P92.4Very high86Confident57 Ų5778.3 Ų78.337%0.3740%0.398SS..EExtended strand (participates in β ladder)trans-69.1139.7173.428.9-33.8000111.1C157 T211 F215C157-P176 VanDerWaalsContact SG-CA 3.53Å; P176-T211 HydrophobicContact CB-CG2 3.46Å; P176-T211 VanDerWaalsContact CB-CG2 3.46Å; P176-F215 WeakPolarHBondContact O-CE1 3.34Å
177L93.8Very high87Confident93 Ų9379.3 Ų79.349%0.48740%0.399SS..EExtended strand (participates in β ladder)trans-91.197.4167.7-178.961.6000109T211 A212 G213 F215L177-T211 CarbonylContact O-C 3.6Å; L177-T211 WeakPolarHBondContact O-CA 3.24Å; L177-A212 PolarHBondContact O-N 3.33Å; L177-G213 WeakPolarHBondContact CB-O 3.06Å; L177-G213 PolarHBondContact N-O 3.36Å; L177-F215 HydrophobicContact CB-CD1 3.96Å; L177-F215 HydrophobicContact CB-CE1 4.13Å; L177-F215 HydrophobicContact CD1-CD1 4.5Å; L177-F215 HydrophobicContact CD1-CE1 4.25Å
178E96.2Very high87.1Confident140 Ų14076.9 Ų76.965%0.65440%0.401SS*.EExtended strand (participates in β ladder)trans-70.6137177.7-66.3-176.6-178.700111.9T209 V210E178-T209 HydrophobicContact CB-CG2 3.93Å; E178-T209 HydrophobicContact CG-CG2 4.12Å; E178-V210 CarbonylContact C-O 3.57Å
179Y96.3Very high86.3Confident146 Ų14680.9 Ų80.957%0.57342%0.418SS*.EExtended strand (participates in β ladder)trans-133.4135.7177.5-166.9-107.7000110.5V181 T209 V210Y179-V181 HydrophobicContact CD1-CG1 3.62Å; Y179-V181 HydrophobicContact CE1-CG1 3.91Å; Y179-T209 WeakPolarHBondContact O-CA 3.42Å; Y179-V210 PolarHBondContact N-O 2.57Å; Y179-V210 PolarHBondContact O-N 2.8Å; Y179-V210 VanDerWaalsContact O-O 3.13Å
180K97.1Very high85.5Confident152 Ų15282.7 Ų82.766%0.66143%0.431SS*.EExtended strand (participates in β ladder)trans-97.4105.7-177.8-72.2-177.5179.5-179.90109.7T207K180-T207 HydrophobicContact CB-CG2 3.72Å; K180-T207 HydrophobicContact CD-CG2 4.26Å; K180-T207 HydrophobicContact CG-CG2 4.1Å
181V96.5Very high84.8Confident31 Ų3181.8 Ų81.819%0.18843%0.432CS..EExtended strand (participates in β ladder)trans-95.2141.4176-61.70000110.6L152 Y179 V183 T207 V208 V210L152-V181 HydrophobicContact CD1-CG2 3.61Å; L152-V181 HydrophobicContact CD2-CG2 4.33Å; Y179-V181 HydrophobicContact CD1-CG1 3.62Å; Y179-V181 HydrophobicContact CE1-CG1 3.91Å; V181-V183 HydrophobicContact CG2-CG1 4.3Å; V181-T207 CarbonylContact O-C 3.57Å; V181-T207 WeakPolarHBondContact O-CA 3.13Å; V181-V208 HydrophobicContact CG2-CB 4.11Å; V181-V208 WeakPolarHBondContact CG2-O 3.47Å; V181-V208 PolarHBondContact N-O 3.03Å; V181-V208 PolarHBondContact O-N 3.45Å; V181-V210 HydrophobicContact CG1-CG2 3.89Å; V181-V210 HydrophobicContact CG2-CG1 4.37Å; V181-V210 HydrophobicContact CG2-CG2 4.27Å
182K97.5Very high84.1Confident156 Ų15685.6 Ų85.668%0.67843%0.433SS*.EExtended strand (participates in β ladder)trans-92.9123.1171.6-69.8-175178.1-1780108.9F205 K206K182-F205 HydrophobicContact CB-CD1 4.22Å; K182-K206 WeakPolarHBondContact CA-O 3.45Å
183V96.9Very high83.2Confident2 Ų289.6 Ų89.61%0.01246%0.458CS..EExtended strand (participates in β ladder)trans-117.1155.3174.6-56.40000109.3L143 L152 V181 F205 K206 V208L143-V183 HydrophobicContact CD1-CB 4.32Å; L143-V183 HydrophobicContact CD1-CG1 3.93Å; L143-V183 HydrophobicContact CD1-CG2 4.12Å; L152-V183 HydrophobicContact CD1-CG1 4.1Å; L152-V183 HydrophobicContact CD2-CG1 4.13Å; V181-V183 HydrophobicContact CG2-CG1 4.3Å; V183-F205 CarbonylContact O-C 3.58Å; V183-F205 WeakPolarHBondContact O-CA 3.35Å; V183-K206 HydrophobicContact CG2-CB 4.19Å; V183-K206 PolarHBondContact N-O 2.89Å; V183-K206 PolarHBondContact O-N 3.42Å; V183-V208 HydrophobicContact CG1-CG2 4.43Å; V183-V208 HydrophobicContact CG2-CG2 3.66Å
184L96.3Very high82.1Confident47 Ų4793.6 Ų93.625%0.24647%0.468CS..EExtended strand (participates in β ladder)trans-83.7135.4167.6-64.4174.2000108.6H147 F148 W203 Q204 F205H147-L184 CarbonylContact C-O 3.56Å; H147-L184 VanDerWaalsContact CA-O 3.24Å; H147-L184 WeakPolarHBondContact CA-O 2.93Å; F148-L184 HydrophobicContact CB-CB 4.27Å; F148-L184 HydrophobicContact CD1-CD1 4.22Å; F148-L184 PolarHBondContact N-O 3.27Å; F148-L184 PolarHBondContact O-N 2.82Å; L184-W203 HydrophobicContact CB-CB 4.46Å; L184-W203 HydrophobicContact CB-CD2 4.3Å; L184-W203 HydrophobicContact CB-CE3 3.59Å; L184-W203 HydrophobicContact CB-CZ3 4.18Å; L184-W203 HydrophobicContact CD2-CB 4.35Å; L184-Q204 CarbonylContact C-O 3.57Å; L184-Q204 WeakPolarHBondContact CA-O 3.28Å; L184-F205 HydrophobicContact CD2-CD1 3.67Å; L184-F205 HydrophobicContact CD2-CD2 4.34Å; L184-F205 HydrophobicContact CD2-CE1 3.54Å; L184-F205 HydrophobicContact CD2-CE2 4.22Å; L184-F205 HydrophobicContact CD2-CG 4.09Å; L184-F205 HydrophobicContact CD2-CZ 3.83Å; L184-F205 HydrophobicContact CG-CD1 4.46Å; L184-F205 HydrophobicContact CG-CE1 4.21Å
185A94.1Very high80.6Confident13 Ų1393.8 Ų93.811%0.10747%0.47CS..EExtended strand (participates in β ladder)trans-127.8136.2174.700000109.7L146 Q204 K206L146-A185 CarbonylContact O-C 3.51Å; L146-A185 WeakPolarHBondContact O-CA 3.4Å; A185-Q204 PolarHBondContact N-O 2.02Å; A185-Q204 PolarHBondContact O-N 3.49Å; A185-K206 HydrophobicContact CB-CB 4.03Å; A185-K206 HydrophobicContact CB-CD 4.15Å
186Q90.7Very high79.1Confident48 Ų4896.8 Ų96.822%0.22448%0.481CS..EExtended strand (participates in β ladder)trans-90.6128.3169.9-165.6174.247.200108.5L146 S188 Q201 W203L146-Q186 HydrophobicContact CB-CB 4.31Å; L146-Q186 HydrophobicContact CD2-CB 4.33Å; L146-Q186 PolarHBondContact O-N 3.15Å; Q186-S188 PolarHBondContact O-N 3.37Å; Q186-Q201 HydrophobicContact CG-CB 3.72Å; Q186-W203 HydrophobicContact CB-CD2 4.49Å; Q186-W203 HydrophobicContact CB-CE3 4.18Å; Q186-W203 HydrophobicContact CB-CH2 4.31Å; Q186-W203 HydrophobicContact CB-CZ3 4.11Å
187T80.5Confident77.2Confident60 Ų60100.1 Ų100.137%0.36849%0.493SS..  trans-72.5107.6-178.452.60000109.9Q189 Q201T187-Q189 PolarHBondContact O-N 2.77Å; T187-Q201 PolarHBondContact O-OE1 3.37Å
188S69.5Low75.5Confident94 Ų9499.9 Ų99.966%0.65749%0.492SS*.  trans-60100.9172.158.20000109.5Q186 S190Q186-S188 PolarHBondContact O-N 3.37Å; S188-S190 PolarHBondContact O-N 2.95Å; S188-S190 VanDerWaalsContact O-N 3.16Å
189Q58.1Low73.9Confident96 Ų96102.2 Ų102.245%0.44950%0.5SS..  trans-62.7119.4172.1-85.6-173.923.800109.1T187 S195T187-Q189 PolarHBondContact O-N 2.77Å; Q189-S195 WeakPolarHBondContact CB-OG 3.49Å
190S57.6Low72.6Confident92 Ų92101.9 Ų101.964%0.64351%0.508SS*.  trans-32.2131.3166.749.70000114.8S188 H192S188-S190 PolarHBondContact O-N 2.95Å; S188-S190 VanDerWaalsContact O-N 3.16Å; S190-H192 PolarHBondContact O-N 3.45Å
191D55.8Low71.4Confident162 Ų16295.5 Ų95.587%0.86648%0.481SS*.SBendtrans32.731.6147.2-56.9-26.1000119.4
192H58.2Low70.9Confident143 Ų14397.9 Ų97.966%0.66250%0.497SS*.  trans-111.6117.2170.2-89.12000109.6S190 Y194 S195S190-H192 PolarHBondContact O-N 3.45Å; H192-Y194 PolarHBondContact O-N 3.4Å; H192-S195 VanDerWaalsContact O-CB 3.26Å; H192-S195 WeakPolarHBondContact O-CB 2.92Å; H192-S195 PolarHBondContact O-N 3.06Å
193P61.2Low70.6Confident98 Ų9896.2 Ų96.264%0.63649%0.487SS*.THydrogen-bonded Turntrans-62.8-6.3-174.323.1-32000114
194Y58.5Low70.4Confident177 Ų177101.2 Ų101.269%0.69451%0.51SS*.THydrogen-bonded Turntrans-109.54.5178-56.3-74.6000114H192 W196 M197H192-Y194 PolarHBondContact O-N 3.4Å; Y194-W196 PolarHBondContact O-N 2.85Å; Y194-M197 PolarHBondContact O-N 2.02Å
195S55.4Low70.4Confident22 Ų22106.4 Ų106.415%0.15453%0.531CS..G310 helixtrans-61.9-27.8-178.41730000113.4Q189 H192 M197 N198 Q201Q189-S195 WeakPolarHBondContact CB-OG 3.49Å; H192-S195 VanDerWaalsContact O-CB 3.26Å; H192-S195 WeakPolarHBondContact O-CB 2.92Å; H192-S195 PolarHBondContact O-N 3.06Å; S195-M197 PolarHBondContact O-N 2.96Å; S195-M197 VanDerWaalsContact O-N 3.13Å; S195-N198 PolarHBondContact O-N 2.03Å; S195-N198 VanDerWaalsContact O-N 3.16Å; S195-Q201 PolarHBondContact OG-NE2 3.16Å
196W57.7Low70.4Confident203 Ų203111 Ų11177%0.76955%0.548SS*.G310 helixtrans-63.4-17.7178.573.4-90000114.1Y194Y194-W196 PolarHBondContact O-N 2.85Å
197M53.7Low70.7Confident128 Ų128112.4 Ų112.463%0.63156%0.56SS**G310 helixtrans-83.2-14.8177.6-90.1168.672.300114.1Y194 S195 K199Y194-M197 PolarHBondContact O-N 2.02Å; S195-M197 PolarHBondContact O-N 2.96Å; S195-M197 VanDerWaalsContact O-N 3.13Å; M197-K199 PolarHBondContact O-N 3.32Å; M197-K199 VanDerWaalsContact O-N 3.17Å
198N57.3Low71.5Confident87 Ų87110.7 Ų110.747%0.46555%0.55SS..  trans-86.987.3176.7-93.7-32.7000110.5S195 D200S195-N198 PolarHBondContact O-N 2.03Å; S195-N198 VanDerWaalsContact O-N 3.16Å; N198-D200 PolarHBondContact O-N 2.87Å
199K62.4Low72.8Confident189 Ų189109.7 Ų109.782%0.82254%0.54SS*.THydrogen-bonded Turntrans-64.7-10.2170.7-72.2-176.3177179.70113.4M197 Q201M197-K199 PolarHBondContact O-N 3.32Å; M197-K199 VanDerWaalsContact O-N 3.17Å; K199-Q201 PolarHBondContact O-N 3.47Å
200D69.2Low74.6Confident139 Ų139105.6 Ų105.674%0.74352%0.521SS*.THydrogen-bonded Turntrans-92.415.2-173.8-57.9-35.4000114N198 P202N198-D200 PolarHBondContact O-N 2.87Å; D200-P202 VanDerWaalsContact O-CD 3.28Å; D200-P202 WeakPolarHBondContact O-CD 3.45Å; D200-P202 VanDerWaalsContact O-N 3.09Å
201Q72.3Confident76.5Confident19 Ų19102.4 Ų102.49%0.08950%0.498CS..PPolyproline II helixtrans-61.5118.4175.7-75.2-178.29.600109.8Q186 T187 S195 K199 W203Q186-Q201 HydrophobicContact CG-CB 3.72Å; T187-Q201 PolarHBondContact O-OE1 3.37Å; S195-Q201 PolarHBondContact OG-NE2 3.16Å; K199-Q201 PolarHBondContact O-N 3.47Å; Q201-W203 PolarHBondContact O-N 3.01Å
202P86.5Confident78.3Confident81 Ų8197.7 Ų97.753%0.52648%0.482SS..PPolyproline II helixtrans-68.9131.9-173.627.2-33.5000109.9D200D200-P202 VanDerWaalsContact O-CD 3.28Å; D200-P202 WeakPolarHBondContact O-CD 3.45Å; D200-P202 VanDerWaalsContact O-N 3.09Å
203W90.2Very high79.9Confident121 Ų12191.7 Ų91.746%0.45846%0.458SS..EExtended strand (participates in β ladder)trans-66.9132.3168.3-71.594.8000109.8L146 F148 L184 Q186 Q201L146-W203 WeakPolarHBondContact O-CZ3 3.01Å; F148-W203 HydrophobicContact CB-CH2 4.33Å; F148-W203 HydrophobicContact CB-CZ3 4.19Å; L184-W203 HydrophobicContact CB-CB 4.46Å; L184-W203 HydrophobicContact CB-CD2 4.3Å; L184-W203 HydrophobicContact CB-CE3 3.59Å; L184-W203 HydrophobicContact CB-CZ3 4.18Å; L184-W203 HydrophobicContact CD2-CB 4.35Å; Q186-W203 HydrophobicContact CB-CD2 4.49Å; Q186-W203 HydrophobicContact CB-CE3 4.18Å; Q186-W203 HydrophobicContact CB-CH2 4.31Å; Q186-W203 HydrophobicContact CB-CZ3 4.11Å; Q201-W203 PolarHBondContact O-N 3.01Å
204Q93.3Very high81.3Confident106 Ų10688.3 Ų88.350%0.49544%0.436SS..EExtended strand (participates in β ladder)trans-121.9144.4177.6-61.7-175.913.400110.6L184 A185 K206L184-Q204 CarbonylContact C-O 3.57Å; L184-Q204 WeakPolarHBondContact CA-O 3.28Å; A185-Q204 PolarHBondContact N-O 2.02Å; A185-Q204 PolarHBondContact O-N 3.49Å; Q204-K206 PolarHBondContact O-N 3.4Å
205F95.3Very high82.7Confident157 Ų15784.3 Ų84.369%0.68942%0.423SS*.EExtended strand (participates in β ladder)trans-71.3119.5172.5-75.5-71000110.3K182 V183 L184K182-F205 HydrophobicContact CB-CD1 4.22Å; V183-F205 CarbonylContact O-C 3.58Å; V183-F205 WeakPolarHBondContact O-CA 3.35Å; L184-F205 HydrophobicContact CD2-CD1 3.67Å; L184-F205 HydrophobicContact CD2-CD2 4.34Å; L184-F205 HydrophobicContact CD2-CE1 3.54Å; L184-F205 HydrophobicContact CD2-CE2 4.22Å; L184-F205 HydrophobicContact CD2-CG 4.09Å; L184-F205 HydrophobicContact CD2-CZ 3.83Å; L184-F205 HydrophobicContact CG-CD1 4.46Å; L184-F205 HydrophobicContact CG-CE1 4.21Å
206K95.2Very high84.1Confident109 Ų10985.1 Ų85.147%0.47443%0.428SS..EExtended strand (participates in β ladder)trans-111.2141.7171-173.3176.2177-175.40109K182 V183 A185 Q204K182-K206 WeakPolarHBondContact CA-O 3.45Å; V183-K206 HydrophobicContact CG2-CB 4.19Å; V183-K206 PolarHBondContact N-O 2.89Å; V183-K206 PolarHBondContact O-N 3.42Å; A185-K206 HydrophobicContact CB-CB 4.03Å; A185-K206 HydrophobicContact CB-CD 4.15Å; Q204-K206 PolarHBondContact O-N 3.4Å
207T97.1Very high85.4Confident78 Ų7878.1 Ų78.148%0.47941%0.408SS..EExtended strand (participates in β ladder)trans-93.7128.3173.8-57.90000109.2K180 V181K180-T207 HydrophobicContact CB-CG2 3.72Å; K180-T207 HydrophobicContact CD-CG2 4.26Å; K180-T207 HydrophobicContact CG-CG2 4.1Å; V181-T207 CarbonylContact O-C 3.57Å; V181-T207 WeakPolarHBondContact O-CA 3.13Å
208V96.4Very high86.8Confident24 Ų2482.7 Ų82.715%0.14542%0.424CS..EExtended strand (participates in β ladder)trans-117.1137.4174.1178.20000107.8L143 L152 V181 V183 V210L143-V208 HydrophobicContact CD1-CG2 4.3Å; L143-V208 HydrophobicContact CD2-CG1 4.12Å; L143-V208 HydrophobicContact CD2-CG2 4.34Å; L152-V208 HydrophobicContact CD1-CB 4.12Å; L152-V208 HydrophobicContact CD1-CG1 3.81Å; V181-V208 HydrophobicContact CG2-CB 4.11Å; V181-V208 WeakPolarHBondContact CG2-O 3.47Å; V181-V208 PolarHBondContact N-O 3.03Å; V181-V208 PolarHBondContact O-N 3.45Å; V183-V208 HydrophobicContact CG1-CG2 4.43Å; V183-V208 HydrophobicContact CG2-CG2 3.66Å; V208-V210 HydrophobicContact CG1-CG1 4.41Å
209T97.5Very high88.2Confident72 Ų7282.5 Ų82.544%0.44242%0.422SS..EExtended strand (participates in β ladder)trans-91.6129.2173.9-55.60000108.7E178 Y179E178-T209 HydrophobicContact CB-CG2 3.93Å; E178-T209 HydrophobicContact CG-CG2 4.12Å; Y179-T209 WeakPolarHBondContact O-CA 3.42Å
210V96.8Very high89.6Confident11 Ų1176.8 Ų76.87%0.06740%0.401CS..EExtended strand (participates in β ladder)trans-127.5156.3170.5-64.80000109L152 E178 Y179 V181 V208L152-V210 HydrophobicContact CB-CG1 4.01Å; L152-V210 HydrophobicContact CD1-CG1 3.73Å; E178-V210 CarbonylContact C-O 3.57Å; Y179-V210 PolarHBondContact N-O 2.57Å; Y179-V210 PolarHBondContact O-N 2.8Å; Y179-V210 VanDerWaalsContact O-O 3.13Å; V181-V210 HydrophobicContact CG1-CG2 3.89Å; V181-V210 HydrophobicContact CG2-CG1 4.37Å; V181-V210 HydrophobicContact CG2-CG2 4.27Å; V208-V210 HydrophobicContact CG1-CG1 4.41Å
211T96.4Very high90.7Very high24 Ų2473.4 Ų73.415%0.14738%0.382CS..EExtended strand (participates in β ladder)trans-85.7119.1170.7-55.60000108.2N154 A155 P176 L177 G213N154-T211 WeakPolarHBondContact OD1-CA 3.37Å; N154-T211 VanDerWaalsContact OD1-CB 3.3Å; N154-T211 WeakPolarHBondContact OD1-CB 2.74Å; N154-T211 PolarHBondContact OD1-N 3.36Å; N154-T211 PolarHBondContact OD1-OG1 2.86Å; A155-T211 HydrophobicContact CB-CG2 4.08Å; A155-T211 WeakPolarHBondContact CB-O 3.45Å; A155-T211 PolarHBondContact N-O 2.85Å; A155-T211 WeakPolarHBondContact O-CB 2.89Å; A155-T211 WeakPolarHBondContact O-CG2 2.97Å; P176-T211 HydrophobicContact CB-CG2 3.46Å; P176-T211 VanDerWaalsContact CB-CG2 3.46Å; L177-T211 CarbonylContact O-C 3.6Å; L177-T211 WeakPolarHBondContact O-CA 3.24Å; T211-G213 WeakPolarHBondContact CG2-O 2.88Å
212A94Very high91.8Very high64 Ų6476.6 Ų76.653%0.52940%0.399SS..EExtended strand (participates in β ladder)trans-85.1-20.3178.900000112.8L177L177-A212 PolarHBondContact O-N 3.33Å
213G91.9Very high92.2Very high16 Ų1676.3 Ų76.317%0.16539%0.391CS..EExtended strand (participates in β ladder)trans179.7-171.4-179.500000111.6L177 T211L177-G213 WeakPolarHBondContact CB-O 3.06Å; L177-G213 PolarHBondContact N-O 3.36Å; T211-G213 WeakPolarHBondContact CG2-O 2.88Å
214C90.1Very high92.3Very high27 Ų2773.3 Ų73.318%0.18239%0.387CS..EExtended strand (participates in β ladder)trans-128.8147.2179.1-56.40000109.8C134 V136 C157 R175C134-C214 HydrophobicContact CB-CB 3.65Å; V136-C214 HydrophobicContact CG2-CB 3.68Å; C157-C214 WeakPolarHBondContact CA-SG 3.11Å; C157-C214 HydrophobicContact CB-CB 3.89Å; C157-C214 WeakPolarHBondContact CB-SG 3.09Å; C157-C214 PolarHBondContact N-SG 3.27Å; C157-C214 WeakPolarHBondContact SG-CB 3.4Å; C157-C214 CovalentContact SG-SG 2.02Å; C157-C214 PolarHBondContact SG-SG 3.09Å; R175-C214 WeakPolarHBondContact O-CA 3.38Å
215F87.6Confident92.2Very high94 Ų9471 Ų7141%0.41238%0.379SS..EExtended strand (participates in β ladder)trans-140.4153.3176.765.4-81.4000111.1R175 P176 L177R175-F215 HydrophobicContact CB-CE1 4.21Å; R175-F215 HydrophobicContact CB-CE2 4.4Å; R175-F215 HydrophobicContact CB-CZ 4.06Å; R175-F215 PolarHBondContact N-O 3.24Å; R175-F215 WeakPolarHBondContact O-CD1 2.95Å; R175-F215 PolarHBondContact O-N 3.21Å; P176-F215 WeakPolarHBondContact O-CE1 3.34Å; L177-F215 HydrophobicContact CB-CD1 3.96Å; L177-F215 HydrophobicContact CB-CE1 4.13Å; L177-F215 HydrophobicContact CD1-CD1 4.5Å; L177-F215 HydrophobicContact CD1-CE1 4.25Å
216C86.2Confident92Very high38 Ų3864.4 Ų64.426%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-84.7126.9174.6-67.10000110.9C132 C134 C168C132-C216 HydrophobicContact CB-CB 4.5Å; C132-C216 PolarHBondContact O-SG 3.49Å; C134-C216 VanDerWaalsContact SG-SG 3.63Å; C168-C216 WeakPolarHBondContact CA-SG 3.47Å; C168-C216 HydrophobicContact CB-CB 3.55Å; C168-C216 WeakPolarHBondContact CB-SG 3.05Å; C168-C216 VanDerWaalsContact SG-CA 3.5Å; C168-C216 WeakPolarHBondContact SG-CB 3.13Å; C168-C216 CovalentContact SG-SG 2.02Å; C168-C216 PolarHBondContact SG-SG 3.35Å
217T84.7Confident91.7Very high57 Ų5760.7 Ų60.735%0.3535%0.345SS..EExtended strand (participates in β ladder)trans-125.4143.2170.9-175.20000110.9S172 N173 R175S172-T217 CarbonylContact C-O 3.43Å; S172-T217 WeakPolarHBondContact CA-O 3.34Å; S172-T217 VanDerWaalsContact CB-C 3.42Å; S172-T217 WeakPolarHBondContact CB-O 3.46Å; N173-T217 PolarHBondContact N-O 3.43Å; N173-T217 PolarHBondContact O-N 3.42Å; R175-T217 HydrophobicContact CB-CG2 4.24Å; R175-T217 HydrophobicContact CG-CG2 3.37Å
218K81.8Confident91.2Very high223 Ų22359.1 Ų59.197%0.9733%0.333SS*.  trans-68.30169.5-69.8-177.5179.5176.90111.3

Retrieved 218 of 218 residues in 141.5 ms (Link to these results)