A0A087YPH2_POEFO Loading...

Glial cell line-derived neurotrophic factor

Neurotrophic factor that enhances survival and morphological differentiation of dopaminergic neurons and increases their high-affinity dopamine uptake.

AlphaFold DB , UniProt , Accession A0A087YPH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 232 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
1M59.6Low73.9Confident229 Ų229119.8 Ų119.8100%1.12861%0.608SS**  0125.10-64-178.1-176.900106.7
2K76.6Confident73.6Confident159 Ų159120.2 Ų120.269%0.69161%0.612SS**  trans-71.9138.4-169.1-69.1174.9179.1171.20107.9W4 D5K2-W4 PolarHBondContact O-N 3.06Å; K2-D5 WeakPolarHBondContact O-CB 3.49Å; K2-D5 PolarHBondContact O-N 2.96Å
3L72.2Confident73.1Confident133 Ų133120.5 Ų120.570%0.69662%0.615SS**Hα-helixtrans-51-28.7179.6-16672.1000112.4D5 V6 L7L3-D5 PolarHBondContact O-N 3.49Å; L3-V6 PolarHBondContact O-N 3.46Å; L3-L7 PolarHBondContact O-N 2.99Å; L3-L7 VanDerWaalsContact O-N 3.09Å
4W76.9Confident72.5Confident200 Ų200120.1 Ų120.176%0.75861%0.614SS**Hα-helixtrans-63.5-31.7174.9-59.595.9000114.4K2 L7 A8K2-W4 PolarHBondContact O-N 3.06Å; W4-L7 PolarHBondContact O-N 3.3Å; W4-A8 WeakPolarHBondContact O-CB 3.46Å; W4-A8 PolarHBondContact O-N 2.77Å
5D71.9Confident71.6Confident97 Ų97118.4 Ų118.452%0.51961%0.612SS.*Hα-helixtrans-71.5-34.8176.8-68.3-41.3000111.5K2 L3 T9K2-D5 WeakPolarHBondContact O-CB 3.49Å; K2-D5 PolarHBondContact O-N 2.96Å; L3-D5 PolarHBondContact O-N 3.49Å; D5-T9 WeakPolarHBondContact O-CB 3.41Å; D5-T9 WeakPolarHBondContact O-CG2 3.16Å; D5-T9 PolarHBondContact O-N 3.4Å; D5-T9 VanDerWaalsContact O-N 3.07Å; D5-T9 PolarHBondContact O-OG1 3.07Å
6V76.8Confident70.7Confident90 Ų90116.2 Ų116.255%0.54561%0.61SS.*Hα-helixtrans-72.9-38.6176.6-178.10000110.4L3 T9 C10L3-V6 PolarHBondContact O-N 3.46Å; V6-T9 WeakPolarHBondContact CA-OG1 3.42Å; V6-T9 PolarHBondContact O-OG1 3.07Å; V6-C10 VanDerWaalsContact O-CB 3.23Å; V6-C10 WeakPolarHBondContact O-CB 3.3Å; V6-C10 PolarHBondContact O-N 3.02Å
7L77.2Confident69.9Low79 Ų79116.8 Ų116.841%0.41462%0.619SS.*Hα-helixtrans-65.9-44.3174.4-88.1160.2000111.8L3 W4 T9 C10 F11L3-L7 PolarHBondContact O-N 2.99Å; L3-L7 VanDerWaalsContact O-N 3.09Å; W4-L7 PolarHBondContact O-N 3.3Å; L7-T9 PolarHBondContact O-N 2.9Å; L7-C10 PolarHBondContact O-N 3Å; L7-F11 HydrophobicContact CD2-CE2 4.07Å; L7-F11 VanDerWaalsContact O-CD2 3.27Å; L7-F11 WeakPolarHBondContact O-CD2 3.41Å; L7-F11 PolarHBondContact O-N 3.3Å
8A79.1Confident69.2Low51 Ų51114.9 Ų114.942%0.42162%0.622SS.*Hα-helixtrans-63.2-42178.500000112.3W4 L12W4-A8 WeakPolarHBondContact O-CB 3.46Å; W4-A8 PolarHBondContact O-N 2.77Å; A8-L12 WeakPolarHBondContact O-CB 3.45Å; A8-L12 WeakPolarHBondContact O-CG 3.2Å; A8-L12 PolarHBondContact O-N 3.06Å; A8-L12 VanDerWaalsContact O-N 3.07Å
9T75.1Confident68.5Low80 Ų80115.3 Ų115.349%0.49163%0.629SS.*Hα-helixtrans-67.1-3717549.70000112.1D5 V6 L7 L13D5-T9 WeakPolarHBondContact O-CB 3.41Å; D5-T9 WeakPolarHBondContact O-CG2 3.16Å; D5-T9 PolarHBondContact O-N 3.4Å; D5-T9 VanDerWaalsContact O-N 3.07Å; D5-T9 PolarHBondContact O-OG1 3.07Å; V6-T9 WeakPolarHBondContact CA-OG1 3.42Å; V6-T9 PolarHBondContact O-OG1 3.07Å; L7-T9 PolarHBondContact O-N 2.9Å; T9-L13 WeakPolarHBondContact O-CG 3.3Å; T9-L13 PolarHBondContact O-N 2.73Å; T9-L13 VanDerWaalsContact O-N 3.11Å
10C72.6Confident67.6Low64 Ų64121.2 Ų121.243%0.43264%0.642SS.*Hα-helixtrans-66.8-43.5175.7-163.40000112.5V6 L7 L12 L13 L14V6-C10 VanDerWaalsContact O-CB 3.23Å; V6-C10 WeakPolarHBondContact O-CB 3.3Å; V6-C10 PolarHBondContact O-N 3.02Å; L7-C10 PolarHBondContact O-N 3Å; C10-L12 PolarHBondContact O-N 3.26Å; C10-L13 PolarHBondContact O-N 3.17Å; C10-L14 WeakPolarHBondContact O-CD1 3.47Å; C10-L14 WeakPolarHBondContact O-CG 3.45Å; C10-L14 PolarHBondContact O-N 2.7Å
11F74.8Confident66.5Low136 Ų136120.7 Ų120.760%0.59665%0.646SS**Hα-helixtrans-62.9-41.8175.3-87.7-70.2000112.4L7 L13 L14 T15L7-F11 HydrophobicContact CD2-CE2 4.07Å; L7-F11 VanDerWaalsContact O-CD2 3.27Å; L7-F11 WeakPolarHBondContact O-CD2 3.41Å; L7-F11 PolarHBondContact O-N 3.3Å; F11-L13 VanDerWaalsContact C-N 3.34Å; F11-L13 PolarHBondContact O-N 3.07Å; F11-L14 PolarHBondContact O-N 2.81Å; F11-T15 WeakPolarHBondContact O-CG2 2.93Å; F11-T15 PolarHBondContact O-N 2.93Å; F11-T15 VanDerWaalsContact O-N 3.14Å; F11-T15 PolarHBondContact O-OG1 3.45Å
12L70.6Confident66.1Low124 Ų124118 Ų11865%0.64964%0.635SS**Hα-helixtrans-64-37.3177.3-74.9169.5000112.7A8 C10 T15A8-L12 WeakPolarHBondContact O-CB 3.45Å; A8-L12 WeakPolarHBondContact O-CG 3.2Å; A8-L12 PolarHBondContact O-N 3.06Å; A8-L12 VanDerWaalsContact O-N 3.07Å; C10-L12 PolarHBondContact O-N 3.26Å; L12-T15 PolarHBondContact O-OG1 3.05Å
13L67.7Low64.3Low124 Ų124120.3 Ų120.365%0.64964%0.64SS**Hα-helixtrans-72.8-29.5176.4-71.5172.4000113.3T9 C10 F11 S16T9-L13 WeakPolarHBondContact O-CG 3.3Å; T9-L13 PolarHBondContact O-N 2.73Å; T9-L13 VanDerWaalsContact O-N 3.11Å; C10-L13 PolarHBondContact O-N 3.17Å; F11-L13 VanDerWaalsContact C-N 3.34Å; F11-L13 PolarHBondContact O-N 3.07Å; L13-S16 PolarHBondContact O-OG 2.77Å
14L63.8Low63.1Low115 Ų115122.8 Ų122.860%0.60265%0.648SS**Hα-helixtrans-76-29.4176.7-75.2161.4000112.4C10 F11 S16C10-L14 WeakPolarHBondContact O-CD1 3.47Å; C10-L14 WeakPolarHBondContact O-CG 3.45Å; C10-L14 PolarHBondContact O-N 2.7Å; F11-L14 PolarHBondContact O-N 2.81Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.16Å
15T60Low61.1Low95 Ų95119.3 Ų119.358%0.58365%0.645SS**Hα-helixtrans-76.7-15.5178.250.60000114.7F11 L12F11-T15 WeakPolarHBondContact O-CG2 2.93Å; F11-T15 PolarHBondContact O-N 2.93Å; F11-T15 VanDerWaalsContact O-N 3.14Å; F11-T15 PolarHBondContact O-OG1 3.45Å; L12-T15 PolarHBondContact O-OG1 3.05Å
16S56.5Low59.9Low83 Ų83120.3 Ų120.358%0.5866%0.655SS**THydrogen-bonded Turntrans-84.9-5.3178.960.10000114.3L13 L14L13-S16 PolarHBondContact O-OG 2.77Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.16Å
17V57.3Low58.3Low127 Ų127125.3 Ų125.377%0.7767%0.672SS**SBendtrans-103.8-7.9179.3-177.50000112.8
18A57.3Low56.6Low82 Ų82130.2 Ų130.268%0.67869%0.693SS**  trans-115.351.7-175.200000113.7
19T56.6Low54.6Low122 Ų122132 Ų13275%0.74871%0.708SS**  trans-132.470.6161.551.70000110.5
20R48.7Very low52.7Low233 Ų233138.1 Ų138.188%0.87973%0.728SS**  trans-118.3116.7147.2-71.9-170.4177.2-171.60.1107.3L22R20-L22 PolarHBondContact O-N 3.05Å
21P46.1Very low50.8Low112 Ų112145.8 Ų145.873%0.72775%0.747SS**  trans-65.8122173.427.7-30.1000107.6Y23P21-Y23 VanDerWaalsContact C-N 3.27Å; P21-Y23 PolarHBondContact O-N 2.9Å
22L49.7Very low48.9Very low171 Ų171145.1 Ų145.190%0.89576%0.755SS**  trans-65.697.2158-74.7174.7000106.4R20 Q24R20-L22 PolarHBondContact O-N 3.05Å; L22-Q24 VanDerWaalsContact C-N 3.25Å; L22-Q24 PolarHBondContact O-N 3.28Å
23Y38.9Very low47.2Very low208 Ų208149.8 Ų149.882%0.81676%0.764SS**  trans-74.987.5169.2-135.3-90.8000107.6P21P21-Y23 VanDerWaalsContact C-N 3.27Å; P21-Y23 PolarHBondContact O-N 2.9Å
24Q47.9Very low45.6Very low185 Ų185153.2 Ų153.286%0.86477%0.774SS**  trans-91.6106.3161.4-139.117513.500105.8L22L22-Q24 VanDerWaalsContact C-N 3.25Å; L22-Q24 PolarHBondContact O-N 3.28Å
25N34.4Very low44.4Very low128 Ų128153.3 Ų153.368%0.68478%0.781SS**  trans-143.4108.1155.3-139.7-8.8000111.5
26T47Very low43.2Very low118 Ų118154 Ų15472%0.72479%0.791SS**  trans-34.6127.2152.137.60000113.3
27Q43.2Very low42Very low195 Ų195154.5 Ų154.591%0.91179%0.794SS**  trans-131.5128.7136.7-77-147.7-2.300110.6
28Q40.7Very low40.8Very low181 Ų181157.7 Ų157.785%0.84679%0.793SS**  trans-70.6154174.4-68.2169.3-19.800111
29A37.2Very low39.5Very low90 Ų90164 Ų16474%0.74480%0.799SS**  trans64.5110.9145.500000118.8
30K36.3Very low38.1Very low208 Ų208165.9 Ų165.990%0.90481%0.805SS**  -166.3104.3100.2-101.5166.5-175177.90111T32K30-T32 PolarHBondContact O-N 3.38Å
31R32.2Very low37.5Very low224 Ų224160 Ų16085%0.84580%0.799SS**  trans-57.3126.5158.3-151.8174.6-169.2172.51.9107.2R33R31-R33 PolarHBondContact O-N 2.89Å
32T35.5Very low36.8Very low123 Ų123158.4 Ų158.476%0.75580%0.804SS**  trans-53.9108.516823.20000109.8K30K30-T32 PolarHBondContact O-N 3.38Å
33R35.3Very low35.9Very low221 Ų221155.8 Ų155.883%0.83480%0.8SS**  trans-127.9106.2151.2-81.6-171-165.5159.43.2106R31R31-R33 PolarHBondContact O-N 2.89Å
34F32.8Very low35.6Very low196 Ų196154 Ų15486%0.8680%0.804SS**  trans-80.4127.5160.4-83.8-83.3000108
35P38.8Very low34.7Very low117 Ų117150.4 Ų150.476%0.7680%0.799SS**  trans-82.1135.1169.824.9-15.8000110.5
36S34.5Very low34.6Very low111 Ų111151 Ų15178%0.77681%0.807SS**  trans-39.9134152155.60000112.4
37S32.4Very low34Very low93 Ų93153.7 Ų153.765%0.6581%0.811SS**  trans173.1118.1131.41630000113.6
38Y31.3Very low33.3Very low193 Ų193152 Ų15276%0.75780%0.803SS**  trans53.9134.8139.5-72.2-111.2000118.4
39R30.2Very low33Very low214 Ų214151.3 Ų151.381%0.80880%0.8SS**  cis-167.1141.221.3-122.1162.9-174.4-169.65.5106.1
40D27.7Very low33Very low163 Ų163154.2 Ų154.287%0.87280%0.798SS**  trans-137.3131.6145.9-156.14.8000109.4
41S36.6Very low32.8Very low108 Ų108150.6 Ų150.676%0.75580%0.796SS**  trans-100.2108.5-177.6-650000107.1
42G31.6Very low32.6Very low79 Ų79145.5 Ų145.581%0.81479%0.785SS**  trans-144.284.7172.800000109.4
43S30.7Very low32.2Very low117 Ų117147.7 Ų147.782%0.81878%0.784SS**  trans-69.9122.6173.1520000110.8
44L30.8Very low31.9Very low171 Ų171145 Ų14590%0.89578%0.781SS**  trans-149.1113.3147.7-124.2127.6000109.2
45S28.9Very low31.9Very low109 Ų109146.1 Ų146.176%0.76278%0.78SS**  trans-75.6129.9178.745.80000111.5
46V33Very low31.4Very low140 Ų140147.7 Ų147.785%0.84878%0.777SS**  trans-144.5114.4153.2179.10000107.4
47E34.9Very low31.4Very low175 Ų175149.8 Ų149.882%0.81877%0.774SS**  trans-61.3154.9164.4-53.1176.3138.200108.1
48E29.1Very low31.5Very low159 Ų159152.8 Ų152.874%0.74378%0.778SS**  cis18013832.6-148.817316700102.2
49E33.2Very low31.6Very low167 Ų167153 Ų15378%0.7878%0.783SS**  167.3140.496.1-81-114.6142.400108.1
50E37Very low31.8Very low150 Ų150150.7 Ų150.770%0.70179%0.785SS**  trans-79.1164.9172.4-77-109.6138.500112
51P32.3Very low32.3Very low133 Ų133151.3 Ų151.386%0.86478%0.783SS**  -137.2145.3107.531.3-16.3000115.8
52L29.3Very low32.3Very low117 Ų117155 Ų15561%0.61379%0.788SS**  trans-69.7138.5177.2-124.7106.4000113.7
53F26.7Very low32.5Very low169 Ų169158.4 Ų158.474%0.74179%0.786SS**  trans75.1141.5142.3-73.9-135.6000117.2
54Q29.3Very low33Very low165 Ų165157.1 Ų157.177%0.77178%0.777SS**  cis-164.7133.149-136.6148.2-12.200110
55R30.9Very low33.6Very low219 Ų219157.1 Ų157.183%0.82678%0.775SS**  trans-91.7109.5169.9177.1175.1177.8152-2.1107.8
56E29.8Very low34.2Very low150 Ų150159.5 Ų159.570%0.70177%0.774SS**  trans-99.7116.2170.2-82.7-168.3157.600110.3
57E34Very low34.5Very low154 Ų154159.1 Ų159.172%0.7277%0.767SS**  trans-85.9112.1165.6-69.1-175.6161.100108.6
58H34.1Very low34.7Very low157 Ų157158.4 Ų158.473%0.72776%0.764SS**  trans-113.692.5166.9-85.3-97.3000110.8
59K33.5Very low35.3Very low198 Ų198161 Ų16186%0.86177%0.768SS**  trans20.4121.4137.1-149.2172-175.7-177.60118.1
60L35.3Very low35.7Very low164 Ų164159 Ų15986%0.85976%0.763SS**  trans-46.4134.5166.6-77.3104.6000113
61Q38.1Very low36.5Very low177 Ų177159.4 Ų159.483%0.82777%0.768SS**  trans-119.8105.6148.4-107.3175.9-6.600108.6I63Q61-I63 PolarHBondContact O-N 3.31Å
62E36.1Very low37.3Very low184 Ų184156.9 Ų156.986%0.8676%0.758SS**  trans-64.1116.6162.4-176.4173.5-163.300107.7
63I36.5Very low38.1Very low151 Ų151155.8 Ų155.877%0.77477%0.767SS**  trans-110.5117172.3-64.2174.1000107.2Q61Q61-I63 PolarHBondContact O-N 3.31Å
64S40.7Very low39.3Very low90 Ų90152.5 Ų152.563%0.62976%0.762SS**  trans-53.5147.9-176.3-159.60000113.1E66S64-E66 PolarHBondContact OG-OE2 3.13Å
65M43.5Very low40.5Very low172 Ų172152.8 Ų152.885%0.84776%0.757SS**  trans-102107.4172.221.2-174.369.400107.3
66E41.8Very low41.7Very low158 Ų158146.9 Ų146.974%0.73875%0.747SS**  trans-151.1118.4161.3-95114.5177.900110.8S64S64-E66 PolarHBondContact OG-OE2 3.13Å
67D38.9Very low43.1Very low133 Ų133145.1 Ų145.171%0.71174%0.743SS**  trans48.4107139.6-63.8-21.5000121.3
68Q37.9Very low44.2Very low159 Ų159144.3 Ų144.374%0.74374%0.739SS**  trans-152.587.8136.4-166.669.827.300109.5D70Q68-D70 PolarHBondContact NE2-OD2 2.99Å; Q68-D70 PolarHBondContact O-N 3.38Å
69Y42.3Very low45.4Very low215 Ų215144.1 Ų144.184%0.84374%0.736SS**  trans-82.489.6163.7-80.5-85000109
70D42.4Very low47Very low125 Ų125140.9 Ų140.967%0.66872%0.724SS**  trans-93.798.9166.2-114.1-49.5000109.4Q68 A72Q68-D70 PolarHBondContact NE2-OD2 2.99Å; Q68-D70 PolarHBondContact O-N 3.38Å; D70-A72 PolarHBondContact O-N 3.21Å
71I52.4Low48.9Very low157 Ų157138.8 Ų138.881%0.80571%0.714SS**  trans-77.393.6166.6-71.4172.1000107.2
72A49.6Very low51Low80 Ų80134 Ų13466%0.66170%0.696SS**  trans-12190.7158.200000106.8D70 P74D70-A72 PolarHBondContact O-N 3.21Å; A72-P74 WeakPolarHBondContact O-CD 3.32Å
73A46.5Very low53.1Low95 Ų95130.3 Ų130.379%0.78568%0.681SS**  trans-66.3119.9175.900000110.3
74P52Low55.3Low100 Ų100127.8 Ų127.865%0.64967%0.669SS**  trans-103.213716421.7-1.1000109.2A72A72-P74 WeakPolarHBondContact O-CD 3.32Å
75Y53.8Low57.5Low171 Ų171130.4 Ų130.467%0.67167%0.669SS**  trans96.792.2170.4-61.8-80000118D77Y75-D77 VanDerWaalsContact C-N 3.33Å
76P57.2Low59.5Low94 Ų94125.8 Ų125.861%0.6165%0.647SS**SBendtrans-79-13.7166.326.9-20.9000113.5Q78 F79P76-Q78 VanDerWaalsContact C-N 3.34Å; P76-Q78 PolarHBondContact O-N 2.98Å; P76-F79 PolarHBondContact O-N 2.85Å
77D59.1Low61.6Low113 Ų113125 Ų12560%0.60464%0.643SS**THydrogen-bonded Turntrans-80.2-8-163.6-49.5-34.7000115Y75Y75-D77 VanDerWaalsContact C-N 3.33Å
78Q57.3Low63.8Low138 Ų138120.8 Ų120.865%0.64563%0.627SS**THydrogen-bonded Turntrans-92.6-14.3177.3-71-179.251.800113.4P76 V82P76-Q78 VanDerWaalsContact C-N 3.34Å; P76-Q78 PolarHBondContact O-N 2.98Å; Q78-V82 WeakPolarHBondContact O-CG2 3.29Å
79F58.5Low66.1Low153 Ų153115.8 Ų115.867%0.67161%0.607SS**Hα-helixtrans-81.5-28.5-179.3-90.2-89.2000112.7P76 V82 M83P76-F79 PolarHBondContact O-N 2.85Å; F79-V82 PolarHBondContact O-N 3.2Å; F79-M83 WeakPolarHBondContact O-CB 3.45Å; F79-M83 VanDerWaalsContact O-CG 3.27Å; F79-M83 WeakPolarHBondContact O-CG 3.42Å; F79-M83 PolarHBondContact O-N 3.22Å
80E67.9Low68.1Low130 Ų130109.5 Ų109.561%0.60759%0.587SS**Hα-helixtrans-63.3-45.2177.6-66.7-62.3162.900111.4V82 M83 D84E80-V82 VanDerWaalsContact C-N 3.28Å; E80-V82 PolarHBondContact O-N 3.27Å; E80-M83 PolarHBondContact O-N 3.26Å; E80-M83 VanDerWaalsContact O-N 3.13Å; E80-D84 WeakPolarHBondContact O-CB 3.16Å; E80-D84 PolarHBondContact O-N 2.83Å
81D74.3Confident69.8Low119 Ų119105.1 Ų105.164%0.63657%0.572SS**Hα-helixtrans-61.6-36.3177.7-72.9-23.1000112.6F85D81-F85 WeakPolarHBondContact O-CB 3.42Å; D81-F85 PolarHBondContact O-N 3.06Å
82V82.1Confident70.8Confident76 Ų76106 Ų10646%0.46157%0.565SS.*Hα-helixtrans-71.5-41177.1177.10000110.4Q78 F79 E80 F85 I86Q78-V82 WeakPolarHBondContact O-CG2 3.29Å; F79-V82 PolarHBondContact O-N 3.2Å; E80-V82 VanDerWaalsContact C-N 3.28Å; E80-V82 PolarHBondContact O-N 3.27Å; V82-F85 PolarHBondContact O-N 2.91Å; V82-I86 HydrophobicContact CG1-CD1 3.84Å; V82-I86 HydrophobicContact CG1-CG1 4.49Å; V82-I86 WeakPolarHBondContact O-CB 3.36Å; V82-I86 WeakPolarHBondContact O-CD1 3.35Å; V82-I86 WeakPolarHBondContact O-CG1 3.49Å; V82-I86 PolarHBondContact O-N 2.99Å
83M81.2Confident71.9Confident108 Ų108107.6 Ų107.653%0.53256%0.562SS.*Hα-helixtrans-66.7-40.4177.2-71.8-59.3-68.300111.7F79 E80 F85 I86 E87F79-M83 WeakPolarHBondContact O-CB 3.45Å; F79-M83 VanDerWaalsContact O-CG 3.27Å; F79-M83 WeakPolarHBondContact O-CG 3.42Å; F79-M83 PolarHBondContact O-N 3.22Å; E80-M83 PolarHBondContact O-N 3.26Å; E80-M83 VanDerWaalsContact O-N 3.13Å; M83-F85 VanDerWaalsContact C-N 3.35Å; M83-F85 PolarHBondContact O-N 3.42Å; M83-I86 PolarHBondContact O-N 3.37Å; M83-I86 HydrophobicContact SD-CD1 4.32Å; M83-E87 WeakPolarHBondContact O-CB 3.39Å; M83-E87 PolarHBondContact O-N 3.45Å
84D82.6Confident72.9Confident98 Ų98111.6 Ų111.652%0.52456%0.556SS.*Hα-helixtrans-61.6-41.7173.4-89.7-3000111.9E80 E87 A88E80-D84 WeakPolarHBondContact O-CB 3.16Å; E80-D84 PolarHBondContact O-N 2.83Å; D84-E87 PolarHBondContact O-N 2.8Å; D84-A88 VanDerWaalsContact O-CB 3.26Å; D84-A88 WeakPolarHBondContact O-CB 3.27Å; D84-A88 PolarHBondContact O-N 2.9Å
85F85.3Confident73.2Confident144 Ų144116.2 Ų116.263%0.63256%0.561SS**Hα-helixtrans-64.8-42.2175.6179.5-99.5000112.3D81 V82 M83 T89D81-F85 WeakPolarHBondContact O-CB 3.42Å; D81-F85 PolarHBondContact O-N 3.06Å; V82-F85 PolarHBondContact O-N 2.91Å; M83-F85 VanDerWaalsContact C-N 3.35Å; M83-F85 PolarHBondContact O-N 3.42Å; F85-T89 WeakPolarHBondContact O-CB 3.39Å; F85-T89 PolarHBondContact O-N 3.46Å; F85-T89 VanDerWaalsContact O-N 3.08Å; F85-T89 PolarHBondContact O-OG1 3.3Å
86I86.5Confident73Confident75 Ų75112 Ų11239%0.38556%0.557SS.*Hα-helixtrans-64.5-45.6176.6-69.3166.2000110.1V82 M83 T89 I90V82-I86 HydrophobicContact CG1-CD1 3.84Å; V82-I86 HydrophobicContact CG1-CG1 4.49Å; V82-I86 WeakPolarHBondContact O-CB 3.36Å; V82-I86 WeakPolarHBondContact O-CD1 3.35Å; V82-I86 WeakPolarHBondContact O-CG1 3.49Å; V82-I86 PolarHBondContact O-N 2.99Å; M83-I86 PolarHBondContact O-N 3.37Å; M83-I86 HydrophobicContact SD-CD1 4.32Å; I86-T89 PolarHBondContact O-N 2.81Å; I86-I90 HydrophobicContact CG2-CD1 3.82Å; I86-I90 WeakPolarHBondContact O-CG1 3.39Å; I86-I90 PolarHBondContact O-N 2.93Å
87E84.9Confident72.8Confident143 Ų143111.2 Ų111.267%0.66855%0.553SS**Hα-helixtrans-63.5-45.5179.1-174.9168.1-179.200111.9M83 D84 T89 I90 G91M83-E87 WeakPolarHBondContact O-CB 3.39Å; M83-E87 PolarHBondContact O-N 3.45Å; D84-E87 PolarHBondContact O-N 2.8Å; E87-T89 PolarHBondContact O-N 3.2Å; E87-I90 PolarHBondContact O-N 2.88Å; E87-G91 PolarHBondContact O-N 2.76Å
88A85.2Confident72.5Confident44 Ų44113.7 Ų113.736%0.36456%0.561SS.*Hα-helixtrans-60.7-35176.200000112.4D84 R92D84-A88 VanDerWaalsContact O-CB 3.26Å; D84-A88 WeakPolarHBondContact O-CB 3.27Å; D84-A88 PolarHBondContact O-N 2.9Å; A88-R92 WeakPolarHBondContact O-CG 3.3Å; A88-R92 PolarHBondContact O-N 2.83Å
89T88.1Confident72Confident53 Ų53113.3 Ų113.333%0.32557%0.568SS.*Hα-helixtrans-71.1-44.4178-59.10000111.4F85 I86 E87 G91 R92 L93F85-T89 WeakPolarHBondContact O-CB 3.39Å; F85-T89 PolarHBondContact O-N 3.46Å; F85-T89 VanDerWaalsContact O-N 3.08Å; F85-T89 PolarHBondContact O-OG1 3.3Å; I86-T89 PolarHBondContact O-N 2.81Å; E87-T89 PolarHBondContact O-N 3.2Å; T89-G91 PolarHBondContact O-N 2.93Å; T89-R92 PolarHBondContact O-N 3.03Å; T89-L93 HydrophobicContact CG2-CD1 4.45Å; T89-L93 PolarHBondContact O-N 2.88Å
90I82.6Confident71.6Confident84 Ų84111.1 Ų111.143%0.43157%0.572SS.*Hα-helixtrans-65.5-39.3177.2-66.6169.9000111.1I86 E87 R92 L93 R94I86-I90 HydrophobicContact CG2-CD1 3.82Å; I86-I90 WeakPolarHBondContact O-CG1 3.39Å; I86-I90 PolarHBondContact O-N 2.93Å; E87-I90 PolarHBondContact O-N 2.88Å; I90-R92 VanDerWaalsContact C-N 3.33Å; I90-R92 PolarHBondContact O-N 2.92Å; I90-L93 PolarHBondContact O-N 2.83Å; I90-R94 PolarHBondContact O-N 2.93Å
91G78.8Confident70.5Confident33 Ų33107.4 Ų107.434%0.3457%0.569SS.*Hα-helixtrans-61.6-37.2176.500000113.4E87 T89 R95E87-G91 PolarHBondContact O-N 2.76Å; T89-G91 PolarHBondContact O-N 2.93Å; G91-R95 PolarHBondContact O-N 3.13Å
92R73.4Confident68.9Low176 Ų176109.9 Ų109.966%0.66458%0.582SS**Hα-helixtrans-68.9-40.4176.1-74.1177.7-175.2124.4-0.2112.6A88 T89 I90 R95A88-R92 WeakPolarHBondContact O-CG 3.3Å; A88-R92 PolarHBondContact O-N 2.83Å; T89-R92 PolarHBondContact O-N 3.03Å; I90-R92 VanDerWaalsContact C-N 3.33Å; I90-R92 PolarHBondContact O-N 2.92Å; R92-R95 PolarHBondContact O-N 3.33Å
93L71.9Confident66.8Low113 Ų113111.3 Ų111.359%0.59260%0.601SS**Hα-helixtrans-61.6-44.7177.2-83.5152.6000111.8T89 I90 R95 S96T89-L93 HydrophobicContact CG2-CD1 4.45Å; T89-L93 PolarHBondContact O-N 2.88Å; I90-L93 PolarHBondContact O-N 2.83Å; L93-R95 PolarHBondContact O-N 3.29Å; L93-S96 PolarHBondContact O-N 2.82Å; L93-S96 PolarHBondContact O-OG 3.06Å
94R69.2Low64.8Low178 Ų178111.6 Ų111.667%0.67262%0.621SS**Hα-helixtrans-63.1-36.9179.7-88.2-175.3157.9126.4-3.6114.3I90 S96 S97I90-R94 PolarHBondContact O-N 2.93Å; R94-S96 PolarHBondContact O-N 3.09Å; R94-S97 PolarHBondContact O-N 2.94Å; R94-S97 PolarHBondContact O-OG 3.24Å
95R57.5Low62.6Low198 Ų198110.5 Ų110.575%0.74763%0.633SS**Hα-helixtrans-68.6-24177.9-68.1-177-166.8-169.24.2113.2G91 R92 L93G91-R95 PolarHBondContact O-N 3.13Å; R92-R95 PolarHBondContact O-N 3.33Å; L93-R95 PolarHBondContact O-N 3.29Å
96S49Very low60.6Low83 Ų83115.1 Ų115.158%0.5865%0.646SS**Hα-helixtrans-78.6-19.9179.2730000113.9L93 R94L93-S96 PolarHBondContact O-N 2.82Å; L93-S96 PolarHBondContact O-OG 3.06Å; R94-S96 PolarHBondContact O-N 3.09Å
97S54.3Low58.4Low77 Ų77123.4 Ų123.454%0.53867%0.673SS.*Hα-helixtrans-83-20.2177.248.20000114.1R94 S100R94-S97 PolarHBondContact O-N 2.94Å; R94-S97 PolarHBondContact O-OG 3.24Å; S97-S100 PolarHBondContact O-OG 3.45Å
98E51.1Low56.5Low165 Ų165124.8 Ų124.877%0.77168%0.679SS**THydrogen-bonded Turntrans-86.9-11.5-172.7-67.5-177.9164.300114.4
99T48.5Very low54.5Low129 Ų129131.8 Ų131.879%0.79170%0.704SS**THydrogen-bonded Turntrans-97.19.7-1792.70000114.8
100S48.6Very low52.5Low108 Ų108139.7 Ų139.776%0.75573%0.728SS**  trans-104.823.4-177.163.80000115S97S97-S100 PolarHBondContact O-OG 3.45Å
101G45.2Very low50.9Low52 Ų52144 Ų14454%0.53675%0.746SS.*SBendtrans-127.6104.517200000111.2
102N41.9Very low49.2Very low171 Ų171154.4 Ų154.491%0.91478%0.776SS**  trans132.390.7154.5-66.3-27.8000114.2
103A37.1Very low47.4Very low105 Ų105149.5 Ų149.587%0.86878%0.78SS**  trans-165.667.5144.200000111
104A39.7Very low45.8Very low114 Ų114149.2 Ų149.294%0.94279%0.794SS**  trans-83.8113.8158.700000108.2
105G36.1Very low44.5Very low76 Ų76145.5 Ų145.578%0.78480%0.802SS**  trans-14769.9-172.400000113.4
106R43.7Very low43.6Very low240 Ų240144 Ų14491%0.90681%0.808SS**  trans-32.2126.3162.5-173.1-179.8-170.8172.22.6114.2
107R40.8Very low43.2Very low250 Ų250146.3 Ų146.394%0.94382%0.819SS**  trans-154.399.7150.9-113.4176.1-173-179.52.5111.9
108E44Very low42.6Very low172 Ų172152.2 Ų152.280%0.80484%0.835SS**  trans-103.5116.6164.9-175.6-174.6-163.800106.3
109Q43.3Very low42.1Very low190 Ų190150.7 Ų150.789%0.88884%0.837SS**  trans-157.8131.1154.4-152.5158.1-1.900113.2
110R45.5Very low41.6Very low219 Ų219150.5 Ų150.583%0.82684%0.836SS**  trans-69.7155.2-177.6-62.2163.4166.7178-5.3113.7
111Q49.4Very low41.4Very low174 Ų174157.4 Ų157.481%0.81385%0.845SS**  167.3114123.9-89.9170.924.800109.5
112R42.8Very low41.1Very low252 Ų252162.3 Ų162.395%0.95185%0.854SS**  79.9120.485.9-81.3-170.3177.2-176.6-0.4115.2
113G36.6Very low41.3Very low74 Ų74163.3 Ų163.376%0.76385%0.853SS**  trans161.282.316500000109.8
114A38.4Very low41.6Very low106 Ų106168.4 Ų168.488%0.87685%0.85SS**  65.910289.400000114.6
115A40.7Very low42.1Very low101 Ų101175.4 Ų175.484%0.83585%0.852SS**  trans-178.1128.913000000111.1
116N39.9Very low42.1Very low166 Ų166175 Ų17589%0.88885%0.847SS**  trans-60.6137.4174.1-77.2-48.4000112.2
117T40.6Very low42.3Very low131 Ų131174.7 Ų174.780%0.80485%0.846SS**  trans-140.3116.2146.7-400000109.5V119T117-V119 PolarHBondContact O-N 2.03Å
118K41.7Very low42.5Very low202 Ų202171.6 Ų171.688%0.87884%0.843SS**  trans-67.1108.2-178.8-162.5-178.4-171.2-175.10108.2
119V39.1Very low42.8Very low133 Ų133172 Ų17281%0.80684%0.841SS**  trans-108.6104.5170.3-175.90000108.4T117 R121T117-V119 PolarHBondContact O-N 2.03Å; V119-R121 PolarHBondContact O-N 2.03Å
120T38.1Very low43.1Very low125 Ų125168.9 Ų168.977%0.76783%0.831SS**  trans-55.7125.7168.3-8.20000109.3E122T120-E122 PolarHBondContact O-N 3.48Å
121R44.3Very low43.1Very low252 Ų252169.1 Ų169.195%0.95183%0.832SS**  trans-61.6114.1163.3-106.2176161167.5-6.2108V119V119-R121 PolarHBondContact O-N 2.03Å
122E38.3Very low43.1Very low155 Ų155166.9 Ų166.972%0.72482%0.824SS**  trans-131.2117.1157.7-129.8-175.8-166.100108.2T120 R124T120-E122 PolarHBondContact O-N 3.48Å; E122-R124 PolarHBondContact O-N 2.88Å; E122-R124 IonicContact OE2-NH2 3.84Å
123E46.3Very low43.1Very low193 Ų193158.4 Ų158.490%0.90280%0.804SS**  trans-55.5117167.7-77.7173.711600109.7
124R44.1Very low43.6Very low212 Ų212161.4 Ų161.480%0.881%0.807SS**  trans-130.9103.2151.6-71-169.2-176.5163.56.1109.1E122 G126E122-R124 PolarHBondContact O-N 2.88Å; E122-R124 IonicContact OE2-NH2 3.84Å; R124-G126 PolarHBondContact O-N 2.94Å; R124-G126 VanDerWaalsContact O-N 3.1Å
125R50.4Low44Very low261 Ų261162.7 Ų162.799%0.98580%0.795SS**  trans-40.4113.6153.5-74.8177.3172.7-173.6-3108.1
126G36.1Very low44.7Very low66 Ų66161.6 Ų161.668%0.6878%0.781SS**  trans-15675.1-17200000110R124R124-G126 PolarHBondContact O-N 2.94Å; R124-G126 VanDerWaalsContact O-N 3.1Å
127R47.2Very low46.3Very low234 Ų234162 Ų16288%0.88377%0.77SS**  trans46.594.8149.3-153.2163.4-173.7136.6-2.7113.4K129R127-K129 PolarHBondContact O-N 3.24Å
128E46.5Very low48.6Very low186 Ų186157.1 Ų157.187%0.86975%0.746SS**  trans-36.995.2149-176.4171.7-172.500107.5D130E128-D130 PolarHBondContact O-N 3.34Å
129K50.1Low51.1Low179 Ų179148.7 Ų148.778%0.77871%0.712SS**  trans-65.297.7160.4-84.2-176.3175.6-178.70101.2R127 R131R127-K129 PolarHBondContact O-N 3.24Å; K129-R131 PolarHBondContact O-N 2.88Å
130D48.4Very low53.8Low126 Ų126145.8 Ų145.867%0.67469%0.692SS**  trans-45.879.3152.2-161.37000105.9E128 I132E128-D130 PolarHBondContact O-N 3.34Å; D130-I132 PolarHBondContact O-N 3.1Å
131R46.6Very low56.7Low223 Ų223143.2 Ų143.284%0.84267%0.672SS**  trans-6787.6157.8-69.8-177.1-178.8-174.60.499.6K129 S133K129-R131 PolarHBondContact O-N 2.88Å; R131-S133 PolarHBondContact O-N 2.67Å
132I49.4Very low59.2Low127 Ų127135.5 Ų135.565%0.65165%0.646SS**  trans-52.287.4151.9-61.2169.5000102.2D130 V134D130-I132 PolarHBondContact O-N 3.1Å; I132-V134 VanDerWaalsContact C-N 3.27Å; I132-V134 PolarHBondContact O-N 3.16Å
133S42.5Very low62.1Low75 Ų75134 Ų13452%0.52464%0.639SS.*  trans-53.4111.8164.31760000100.8R131 Q135R131-S133 PolarHBondContact O-N 2.67Å; S133-Q135 PolarHBondContact O-N 3.14Å; S133-Q135 WeakPolarHBondContact OG-CG 3.46Å; S133-Q135 PolarHBondContact OG-N 2.83Å
134V46.2Very low64.5Low136 Ų136127.4 Ų127.482%0.82461%0.612SS**  trans-65.565.4160.2-174.80000104.4I132 S136I132-V134 VanDerWaalsContact C-N 3.27Å; I132-V134 PolarHBondContact O-N 3.16Å; V134-S136 PolarHBondContact O-N 3.24Å; V134-S136 VanDerWaalsContact O-N 3.1Å
135Q47.9Very low67.1Low133 Ų133123.5 Ų123.562%0.62160%0.602SS**  trans-54.1117.1158.2-91.51713.500101.9S133 R137S133-Q135 PolarHBondContact O-N 3.14Å; S133-Q135 WeakPolarHBondContact OG-CG 3.46Å; S133-Q135 PolarHBondContact OG-N 2.83Å; Q135-R137 HydrophobicContact CB-CG 4.49Å; Q135-R137 PolarHBondContact O-N 3.36Å
136S55.1Low69.4Low79 Ų79113.3 Ų113.355%0.55257%0.567SS**  trans-5081.4160.9159.90000107.4V134 G138V134-S136 PolarHBondContact O-N 3.24Å; V134-S136 VanDerWaalsContact O-N 3.1Å; S136-G138 PolarHBondContact O-N 3.24Å; S136-G138 VanDerWaalsContact O-N 3.12Å
137R72.8Confident72.4Confident175 Ų175112.8 Ų112.866%0.6655%0.549SS*.  trans-68.8111174.7-79.8-176.4-176-178.52.8103.6Q135 L140 P169Q135-R137 HydrophobicContact CB-CG 4.49Å; Q135-R137 PolarHBondContact O-N 3.36Å; R137-L140 HydrophobicContact CB-CD1 3.55Å; R137-L140 HydrophobicContact CB-CG 4.22Å; R137-L140 HydrophobicContact CG-CD1 4.06Å; R137-P169 WeakPolarHBondContact O-CD 3.15Å
138G88.9Confident74.8Confident28 Ų28101.7 Ų101.729%0.28951%0.507SS..  trans-62.8-146.1-175.600000113.1S136 L140 G168 P169S136-G138 PolarHBondContact O-N 3.24Å; S136-G138 VanDerWaalsContact O-N 3.12Å; G138-L140 PolarHBondContact O-N 2.95Å; G138-G168 WeakPolarHBondContact O-CA 3.37Å; G138-P169 CarbonylContact C-O 3.43Å; G138-P169 WeakPolarHBondContact CA-O 3.25Å
139C95.7Very high77.3Confident24 Ų2496 Ų9616%0.16249%0.485CS..SBendtrans-64.5109.3177.5-179.90000111.5P169 C200 A230 C231C139-P169 PolarHBondContact N-O 2.93Å; C139-C200 WeakPolarHBondContact CA-SG 3.45Å; C139-C200 HydrophobicContact CB-CB 3.68Å; C139-C200 WeakPolarHBondContact CB-SG 3.46Å; C139-C200 WeakPolarHBondContact SG-CA 3.09Å; C139-C200 WeakPolarHBondContact SG-CB 3.39Å; C139-C200 CovalentContact SG-SG 2.03Å; C139-C200 PolarHBondContact SG-SG 3.42Å; C139-A230 VanDerWaalsContact SG-C 3.54Å; C139-A230 PolarHBondContact SG-O 3.1Å; C139-C231 VanDerWaalsContact CB-SG 3.57Å
140L95.6Very high79.6Confident73 Ų7391.8 Ų91.838%0.38247%0.471SS..EExtended strand (participates in β ladder)trans-121.9157.6-175.9-69.4-167.5000112.8R137 G138 C166 S167R137-L140 HydrophobicContact CB-CD1 3.55Å; R137-L140 HydrophobicContact CB-CG 4.22Å; R137-L140 HydrophobicContact CG-CD1 4.06Å; G138-L140 PolarHBondContact O-N 2.95Å; L140-C166 WeakPolarHBondContact O-CA 3.33Å; L140-S167 PolarHBondContact N-O 3.12Å; L140-S167 PolarHBondContact O-N 3.37Å
141L97.8Very high81.9Confident70 Ų7087.8 Ų87.837%0.36645%0.449SS..EExtended strand (participates in β ladder)trans-85.4129.5168.2-169.167.2000109.8R164 A226 C229L141-R164 HydrophobicContact CD1-CB 3.94Å; L141-R164 HydrophobicContact CG-CB 4.35Å; L141-A226 HydrophobicContact CD1-CB 3.72Å; L141-A226 WeakPolarHBondContact CD1-O 3.49Å; L141-C229 WeakPolarHBondContact CD1-SG 3.49Å
142K97.7Very high84.3Confident91 Ų9180.4 Ų80.440%0.39644%0.442SS..EExtended strand (participates in β ladder)trans-120.2156.3173.8-66.1-178-177.8167.70109.4R164 Y165 S167K142-R164 CarbonylContact O-C 3.58Å; K142-R164 WeakPolarHBondContact O-CA 3.44Å; K142-R164 WeakPolarHBondContact O-CB 3.42Å; K142-Y165 HydrophobicContact CB-CD1 4.25Å; K142-Y165 HydrophobicContact CB-CD2 4.42Å; K142-Y165 HydrophobicContact CB-CE1 3.77Å; K142-Y165 HydrophobicContact CB-CE2 3.97Å; K142-Y165 HydrophobicContact CD-CE2 3.86Å; K142-Y165 HydrophobicContact CG-CE2 4.47Å; K142-Y165 PolarHBondContact N-O 3.47Å; K142-Y165 PolarHBondContact O-N 3.49Å; K142-S167 PolarHBondContact NZ-OG 3.02Å
143E97.9Very high86.6Confident123 Ų12379.1 Ų79.158%0.57544%0.436SS*.EExtended strand (participates in β ladder)trans-132149.8179.966.5-173.1-169.800111.7I162 F163 R164E143-I162 HydrophobicContact CB-CG2 4.08Å; E143-F163 WeakPolarHBondContact CA-O 3.18Å; E143-R164 HydrophobicContact CB-CG 3.94Å; E143-R164 IonicContact OE2-NE 3.81Å
144V98.4Very high89.2Confident55 Ų5579 Ų7933%0.33345%0.447SS..EExtended strand (participates in β ladder)trans-147.1137.2175.959.20000109.2L146 F163 Y165V144-L146 HydrophobicContact CG1-CD1 3.9Å; V144-L146 HydrophobicContact CG1-CG 4.01Å; V144-L146 HydrophobicContact CG2-CD2 3.92Å; V144-L146 HydrophobicContact CG2-CG 4.12Å; V144-F163 HydrophobicContact CG1-CB 4.15Å; V144-F163 HydrophobicContact CG1-CD1 3.98Å; V144-F163 PolarHBondContact N-O 3.33Å; V144-F163 PolarHBondContact O-N 2.89Å; V144-Y165 HydrophobicContact CG1-CE1 4.23Å
145H98.6Very high91.6Very high130 Ų13075.7 Ų75.760%0.60242%0.42SS*.EExtended strand (participates in β ladder)trans-86129.6173.8-67.8-157.4000108.5I162H145-I162 WeakPolarHBondContact NE2-CD1 3.41Å
146L98.4Very high94Very high47 Ų4775.9 Ų75.925%0.24642%0.421CS..EExtended strand (participates in β ladder)trans-141.2157.7-174.6-65176.5000110.5V144 D150 L151 E160 L161 F163V144-L146 HydrophobicContact CG1-CD1 3.9Å; V144-L146 HydrophobicContact CG1-CG 4.01Å; V144-L146 HydrophobicContact CG2-CD2 3.92Å; V144-L146 HydrophobicContact CG2-CG 4.12Å; L146-D150 HydrophobicContact CB-CB 4.3Å; L146-D150 HydrophobicContact CD2-CB 4.35Å; L146-L151 HydrophobicContact CD1-CD2 4.26Å; L146-E160 CarbonylContact O-C 3.55Å; L146-E160 WeakPolarHBondContact O-CA 3.34Å; L146-L161 PolarHBondContact N-O 3.23Å; L146-L161 PolarHBondContact O-N 3.43Å; L146-F163 HydrophobicContact CD1-CB 3.94Å; L146-F163 HydrophobicContact CD1-CD1 4.47Å; L146-F163 HydrophobicContact CD1-CG 4.41Å
147N98.3Very high96.1Very high55 Ų5572.6 Ų72.629%0.29440%0.397SS..EExtended strand (participates in β ladder)trans-76.6154.7161.6-56.5-77.3000109.6T149 D150 E160N147-T149 WeakPolarHBondContact CB-OG1 3.4Å; N147-T149 PolarHBondContact O-N 3.16Å; N147-D150 WeakPolarHBondContact CB-OD2 3.35Å; N147-D150 PolarHBondContact N-OD2 2.93Å; N147-D150 PolarHBondContact ND2-OD2 3.47Å; N147-D150 WeakPolarHBondContact O-CB 3.4Å; N147-D150 PolarHBondContact O-N 3.14Å; N147-E160 WeakPolarHBondContact OD1-CG 3.25Å
148V98.1Very high97.2Very high1 Ų172.6 Ų72.61%0.00640%0.402CS..G310 helixtrans-60.5-32172.9171.50000111.2D150 L151 Y155 T157 E159 L161 F211V148-D150 VanDerWaalsContact C-N 3.27Å; V148-D150 PolarHBondContact O-N 3.36Å; V148-L151 WeakPolarHBondContact O-CB 3.38Å; V148-L151 WeakPolarHBondContact O-CG 3.42Å; V148-L151 PolarHBondContact O-N 2.84Å; V148-Y155 HydrophobicContact CG1-CD2 4.32Å; V148-T157 HydrophobicContact CB-CG2 3.5Å; V148-T157 VanDerWaalsContact CB-CG2 3.5Å; V148-T157 HydrophobicContact CG1-CG2 3.55Å; V148-T157 HydrophobicContact CG2-CG2 4.19Å; V148-E159 HydrophobicContact CG2-CB 4.08Å; V148-E159 WeakPolarHBondContact CG2-O 3.48Å; V148-E159 PolarHBondContact N-O 2.65Å; V148-L161 HydrophobicContact CB-CD2 4.27Å; V148-L161 HydrophobicContact CG2-CD2 3.6Å; V148-F211 HydrophobicContact CG1-CD1 4.19Å; V148-F211 HydrophobicContact CG1-CD2 4.35Å; V148-F211 HydrophobicContact CG1-CE1 3.66Å; V148-F211 HydrophobicContact CG1-CE2 3.88Å; V148-F211 HydrophobicContact CG1-CZ 3.52Å; V148-F211 HydrophobicContact CG2-CD1 4.13Å; V148-F211 HydrophobicContact CG2-CE1 4.35Å; V148-F211 HydrophobicContact CG2-CG 4.38Å
149T98.1Very high97.6Very high65 Ų6574.7 Ų74.740%0.39940%0.404SS..G310 helixtrans-62.9-32.317552.30000113N147 L151 G152 T157N147-T149 WeakPolarHBondContact CB-OG1 3.4Å; N147-T149 PolarHBondContact O-N 3.16Å; T149-L151 PolarHBondContact O-N 3.25Å; T149-G152 PolarHBondContact O-N 2.96Å; T149-G152 VanDerWaalsContact O-N 3.13Å; T149-T157 VanDerWaalsContact CG2-O 3.3Å; T149-T157 WeakPolarHBondContact CG2-O 3.46Å
150D98.3Very high97.7Very high92 Ų9280.1 Ų80.149%0.49243%0.428SS..G310 helixtrans-69.6-15.8-177.9-59-31.4000112.1L146 N147 V148 G152L146-D150 HydrophobicContact CB-CB 4.3Å; L146-D150 HydrophobicContact CD2-CB 4.35Å; N147-D150 WeakPolarHBondContact CB-OD2 3.35Å; N147-D150 PolarHBondContact N-OD2 2.93Å; N147-D150 PolarHBondContact ND2-OD2 3.47Å; N147-D150 WeakPolarHBondContact O-CB 3.4Å; N147-D150 PolarHBondContact O-N 3.14Å; V148-D150 VanDerWaalsContact C-N 3.27Å; V148-D150 PolarHBondContact O-N 3.36Å; D150-G152 PolarHBondContact O-N 3.37Å
151L97.4Very high97.8Very high42 Ų4277.4 Ų77.422%0.2241%0.413CS..G310 helixtrans-70.7-16.6174.2-57.3179.8000112.9L146 V148 T149 L153 L161 F163 L221L146-L151 HydrophobicContact CD1-CD2 4.26Å; V148-L151 WeakPolarHBondContact O-CB 3.38Å; V148-L151 WeakPolarHBondContact O-CG 3.42Å; V148-L151 PolarHBondContact O-N 2.84Å; T149-L151 PolarHBondContact O-N 3.25Å; L151-L153 VanDerWaalsContact C-N 3.25Å; L151-L153 HydrophobicContact CB-CD1 4.11Å; L151-L153 HydrophobicContact CB-CG 4Å; L151-L153 HydrophobicContact CD1-CD1 4.19Å; L151-L153 PolarHBondContact O-N 3.08Å; L151-L161 HydrophobicContact CD1-CD1 4.44Å; L151-L161 HydrophobicContact CD1-CD2 3.78Å; L151-L161 HydrophobicContact CG-CD2 4.22Å; L151-F163 HydrophobicContact CD2-CD2 4.4Å; L151-L221 HydrophobicContact CD1-CD1 3.81Å
152G97.7Very high97.9Very high67 Ų6777.4 Ų77.469%0.69141%0.413SS*.  trans67.422.5178.900000114.5T149 D150 G154T149-G152 PolarHBondContact O-N 2.96Å; T149-G152 VanDerWaalsContact O-N 3.13Å; D150-G152 PolarHBondContact O-N 3.37Å; G152-G154 VanDerWaalsContact C-N 3.32Å
153L97.4Very high97.9Very high101 Ų10175.8 Ų75.853%0.52941%0.406SS..SBendtrans-87.92.5-179-61.7176.5000113.7L151 Y155 L221L151-L153 VanDerWaalsContact C-N 3.25Å; L151-L153 HydrophobicContact CB-CD1 4.11Å; L151-L153 HydrophobicContact CB-CG 4Å; L151-L153 HydrophobicContact CD1-CD1 4.19Å; L151-L153 PolarHBondContact O-N 3.08Å; L153-Y155 HydrophobicContact CB-CD2 3.69Å; L153-Y155 HydrophobicContact CB-CE2 3.58Å; L153-Y155 HydrophobicContact CD1-CE2 4.19Å; L153-L221 HydrophobicContact CD1-CD1 4.2Å; L153-L221 HydrophobicContact CD1-CD2 3.94Å
154G97.1Very high97.9Very high72 Ų7273.5 Ų73.574%0.74239%0.392SS*.SBendtrans88.24.2175.600000115.7G152G152-G154 VanDerWaalsContact C-N 3.32Å
155Y97.4Very high97.9Very high66 Ų6675.2 Ų75.226%0.25939%0.393SS..  trans-76.7138.9175.3-58.1-71.6000111.6V148 L153 F211 H219 L221V148-Y155 HydrophobicContact CG1-CD2 4.32Å; L153-Y155 HydrophobicContact CB-CD2 3.69Å; L153-Y155 HydrophobicContact CB-CE2 3.58Å; L153-Y155 HydrophobicContact CD1-CE2 4.19Å; Y155-F211 AromaticContact CD1-CE2 3.88Å; Y155-F211 HydrophobicContact CD1-CE2 3.88Å; Y155-F211 AromaticContact CD1-CZ 3.76Å; Y155-F211 HydrophobicContact CD1-CZ 3.76Å; Y155-F211 HydrophobicContact CD2-CE2 4.38Å; Y155-F211 AromaticContact CD2-CZ 3.64Å; Y155-F211 HydrophobicContact CD2-CZ 3.64Å; Y155-F211 HydrophobicContact CE1-CZ 4.1Å; Y155-F211 HydrophobicContact CE2-CZ 4Å; Y155-F211 AromaticContact CG-CE2 3.8Å; Y155-F211 HydrophobicContact CG-CE2 3.8Å; Y155-F211 AromaticContact CG-CZ 3.51Å; Y155-F211 HydrophobicContact CG-CZ 3.51Å; Y155-H219 HydrophobicContact CD1-CB 4.49Å; Y155-H219 AromaticContact CD1-CG 3.97Å; Y155-H219 HydrophobicContact CE1-CB 4.04Å; Y155-H219 AromaticContact CE1-CG 3.63Å; Y155-H219 AromaticContact CE1-ND1 3.54Å; Y155-L221 HydrophobicContact CE2-CD2 3.8Å
156Q97.6Very high97.9Very high137 Ų13770.1 Ų70.164%0.6437%0.372SS*.  trans-106.999.5171.8-62.9-176.630.600108.1D213 D214Q156-D213 WeakPolarHBondContact O-CA 3.4Å; Q156-D213 VanDerWaalsContact O-CB 3.3Å; Q156-D213 WeakPolarHBondContact O-CB 3.44Å; Q156-D214 PolarHBondContact O-N 2.77Å
157T97.9Very high97.8Very high10 Ų1069.7 Ų69.76%0.06137%0.373CS..  trans-153.5159.8-178.6-179.50000109.5V148 T149 E159 F211 L212V148-T157 HydrophobicContact CB-CG2 3.5Å; V148-T157 VanDerWaalsContact CB-CG2 3.5Å; V148-T157 HydrophobicContact CG1-CG2 3.55Å; V148-T157 HydrophobicContact CG2-CG2 4.19Å; T149-T157 VanDerWaalsContact CG2-O 3.3Å; T149-T157 WeakPolarHBondContact CG2-O 3.46Å; T157-E159 HydrophobicContact CG2-CB 4.4Å; T157-E159 PolarHBondContact OG1-N 2.91Å; T157-E159 VanDerWaalsContact OG1-N 3.16Å; T157-F211 HydrophobicContact CG2-CD2 3.9Å; T157-F211 HydrophobicContact CG2-CE2 3.99Å; T157-L212 WeakPolarHBondContact CB-O 3.26Å; T157-L212 PolarHBondContact OG1-O 2.98Å
158K97.1Very high97.7Very high176 Ų17668.6 Ų68.677%0.76538%0.375SS*.  trans-99.96.5173.1-60.7173.8-171.51670112.5
159E97.7Very high97.5Very high71 Ų7171.1 Ų71.133%0.33239%0.391SS..  trans-71.4149176.9-70.3-158.2-149.800112.2V148 T157 F211 L212V148-E159 HydrophobicContact CG2-CB 4.08Å; V148-E159 WeakPolarHBondContact CG2-O 3.48Å; V148-E159 PolarHBondContact N-O 2.65Å; T157-E159 HydrophobicContact CG2-CB 4.4Å; T157-E159 PolarHBondContact OG1-N 2.91Å; T157-E159 VanDerWaalsContact OG1-N 3.16Å; E159-F211 HydrophobicContact CB-CB 3.96Å; E159-F211 HydrophobicContact CG-CB 3.99Å; E159-F211 VanDerWaalsContact OE1-CA 3.32Å; E159-F211 WeakPolarHBondContact OE1-CA 3.48Å; E159-F211 WeakPolarHBondContact OE1-CB 3.5Å; E159-F211 VanDerWaalsContact OE2-CA 3.29Å; E159-F211 WeakPolarHBondContact OE2-CA 3.2Å; E159-F211 WeakPolarHBondContact OE2-CB 3.4Å; E159-L212 PolarHBondContact OE1-N 2.96Å
160E97.8Very high97.3Very high139 Ų13968.7 Ų68.765%0.6538%0.377SS*.EExtended strand (participates in β ladder)trans-117.9156.9-177.9-67.6-178.6178.200110.7L146 N147L146-E160 CarbonylContact O-C 3.55Å; L146-E160 WeakPolarHBondContact O-CA 3.34Å; N147-E160 WeakPolarHBondContact OD1-CG 3.25Å
161L97.8Very high96.9Very high15 Ų1570 Ų708%0.07938%0.382CS..EExtended strand (participates in β ladder)trans-145.1164.5173.470.6135.3000112.8L146 V148 L151 F163 L209L146-L161 PolarHBondContact N-O 3.23Å; L146-L161 PolarHBondContact O-N 3.43Å; V148-L161 HydrophobicContact CB-CD2 4.27Å; V148-L161 HydrophobicContact CG2-CD2 3.6Å; L151-L161 HydrophobicContact CD1-CD1 4.44Å; L151-L161 HydrophobicContact CD1-CD2 3.78Å; L151-L161 HydrophobicContact CG-CD2 4.22Å; L161-F163 HydrophobicContact CD1-CB 4.06Å; L161-L209 HydrophobicContact CB-CD2 3.64Å; L161-L209 HydrophobicContact CD1-CD2 4.12Å; L161-L209 HydrophobicContact CD2-CD2 4.03Å; L161-L209 HydrophobicContact CG-CD2 4.14Å
162I98.4Very high96.4Very high71 Ų7176.7 Ų76.736%0.36441%0.413SS..EExtended strand (participates in β ladder)trans-97.6107.8166.1-55.9-179000107.5E143 H145 R164E143-I162 HydrophobicContact CB-CG2 4.08Å; H145-I162 WeakPolarHBondContact NE2-CD1 3.41Å; I162-R164 HydrophobicContact CG2-CG 4.38Å
163F98.7Very high96.1Very high57 Ų5775.8 Ų75.825%0.2540%0.398CS..EExtended strand (participates in β ladder)trans-89.5123.1175.4177.6-102.6000110E143 V144 L146 L151 L161 Y165 H224E143-F163 WeakPolarHBondContact CA-O 3.18Å; V144-F163 HydrophobicContact CG1-CB 4.15Å; V144-F163 HydrophobicContact CG1-CD1 3.98Å; V144-F163 PolarHBondContact N-O 3.33Å; V144-F163 PolarHBondContact O-N 2.89Å; L146-F163 HydrophobicContact CD1-CB 3.94Å; L146-F163 HydrophobicContact CD1-CD1 4.47Å; L146-F163 HydrophobicContact CD1-CG 4.41Å; L151-F163 HydrophobicContact CD2-CD2 4.4Å; L161-F163 HydrophobicContact CD1-CB 4.06Å; F163-Y165 HydrophobicContact CD1-CD1 4.02Å; F163-Y165 AromaticContact CE1-CD1 3.94Å; F163-Y165 HydrophobicContact CE1-CD1 3.94Å; F163-Y165 HydrophobicContact CE1-CG 4.14Å; F163-H224 WeakPolarHBondContact CE2-O 3.3Å
164R98.6Very high95.7Very high75 Ų7573.4 Ų73.428%0.28338%0.384SS..EExtended strand (participates in β ladder)trans-108.2140.9174.5-53.5-169.2-179.9107.10.3111.5L141 K142 E143 I162 D206 S225 A226L141-R164 HydrophobicContact CD1-CB 3.94Å; L141-R164 HydrophobicContact CG-CB 4.35Å; K142-R164 CarbonylContact O-C 3.58Å; K142-R164 WeakPolarHBondContact O-CA 3.44Å; K142-R164 WeakPolarHBondContact O-CB 3.42Å; E143-R164 HydrophobicContact CB-CG 3.94Å; E143-R164 IonicContact OE2-NE 3.81Å; I162-R164 HydrophobicContact CG2-CG 4.38Å; R164-D206 IonicContact CZ-OD2 2.8Å; R164-D206 VanDerWaalsContact NH1-CG 3.28Å; R164-D206 IonicContact NH1-OD1 3.64Å; R164-D206 PolarHBondContact NH1-OD1 2.67Å; R164-D206 IonicContact NH1-OD2 3.2Å; R164-D206 PolarHBondContact NH1-OD2 3.25Å; R164-S225 WeakPolarHBondContact CB-OG 3.37Å; R164-S225 PolarHBondContact N-OG 3.48Å; R164-A226 WeakPolarHBondContact CB-O 3.36Å; R164-A226 WeakPolarHBondContact O-CB 3.37Å; R164-A226 PolarHBondContact O-N 2.85Å
165Y98.6Very high95.5Very high90 Ų9073.4 Ų73.435%0.35337%0.37SS..EExtended strand (participates in β ladder)trans-142.4155.5-177.465.1-81.8000112.6K142 V144 F163K142-Y165 HydrophobicContact CB-CD1 4.25Å; K142-Y165 HydrophobicContact CB-CD2 4.42Å; K142-Y165 HydrophobicContact CB-CE1 3.77Å; K142-Y165 HydrophobicContact CB-CE2 3.97Å; K142-Y165 HydrophobicContact CD-CE2 3.86Å; K142-Y165 HydrophobicContact CG-CE2 4.47Å; K142-Y165 PolarHBondContact N-O 3.47Å; K142-Y165 PolarHBondContact O-N 3.49Å; V144-Y165 HydrophobicContact CG1-CE1 4.23Å; F163-Y165 HydrophobicContact CD1-CD1 4.02Å; F163-Y165 AromaticContact CE1-CD1 3.94Å; F163-Y165 HydrophobicContact CE1-CD1 3.94Å; F163-Y165 HydrophobicContact CE1-CG 4.14Å
166C98.2Very high95.4Very high23 Ų2376 Ų7616%0.15539%0.389CS..EExtended strand (participates in β ladder)trans-92.6128179.5-61.20000110.7L140 P202 C229L140-C166 WeakPolarHBondContact O-CA 3.33Å; C166-P202 VanDerWaalsContact SG-CA 3.54Å; C166-C229 WeakPolarHBondContact CA-SG 3.35Å; C166-C229 HydrophobicContact CB-CB 3.7Å; C166-C229 WeakPolarHBondContact CB-SG 3.5Å; C166-C229 WeakPolarHBondContact SG-CA 3.46Å; C166-C229 WeakPolarHBondContact SG-CB 3.5Å; C166-C229 CovalentContact SG-SG 2.03Å; C166-C229 PolarHBondContact SG-SG 2.03Å
167S96.5Very high95.2Very high39 Ų3976.5 Ų76.527%0.27339%0.386SS..EExtended strand (participates in β ladder)trans-151.8136.7-178.4176.40000110.4L140 K142 C200L140-S167 PolarHBondContact N-O 3.12Å; L140-S167 PolarHBondContact O-N 3.37Å; K142-S167 PolarHBondContact NZ-OG 3.02Å; S167-C200 PolarHBondContact N-SG 3.32Å
168G94.9Very high94.9Very high32 Ų3276.3 Ų76.333%0.3338%0.384SS..SBendtrans146.2166.3175.200000112.5G138 C200G138-G168 WeakPolarHBondContact O-CA 3.37Å; G168-C200 WeakPolarHBondContact O-CB 3.34Å
169P94.4Very high94.7Very high54 Ų5472.9 Ų72.935%0.35137%0.37SS..  trans-73.8150.3176.930.9-33.5000111.8R137 G138 C139 I171R137-P169 WeakPolarHBondContact O-CD 3.15Å; G138-P169 CarbonylContact C-O 3.43Å; G138-P169 WeakPolarHBondContact CA-O 3.25Å; C139-P169 PolarHBondContact N-O 2.93Å; P169-I171 HydrophobicContact CB-CD1 4.18Å; P169-I171 HydrophobicContact CB-CG1 4.23Å
170C94.4Very high94.4Very high14 Ų1474.1 Ų74.110%0.09538%0.377CS..  trans-11724.6177.5-79.10000113.6E172 A173 E174 T198 C231C170-E172 VanDerWaalsContact C-N 3.27Å; C170-E172 PolarHBondContact O-N 3.05Å; C170-A173 PolarHBondContact O-N 3.21Å; C170-A173 VanDerWaalsContact O-N 3.09Å; C170-E174 PolarHBondContact O-N 3.33Å; C170-T198 HydrophobicContact CB-CG2 3.8Å; C170-C231 WeakPolarHBondContact CA-SG 3.48Å; C170-C231 HydrophobicContact CB-CB 3.7Å; C170-C231 WeakPolarHBondContact CB-SG 3.39Å; C170-C231 WeakPolarHBondContact SG-CA 3.23Å; C170-C231 WeakPolarHBondContact SG-CB 3.32Å; C170-C231 CovalentContact SG-SG 2.03Å; C170-C231 PolarHBondContact SG-SG 3.47Å
171I89.7Confident94.1Very high119 Ų11968.1 Ų68.161%0.6135%0.35SS*.G310 helixtrans-59.2-38.5-173-57.4165.6000111.7P169 A173 E174P169-I171 HydrophobicContact CB-CD1 4.18Å; P169-I171 HydrophobicContact CB-CG1 4.23Å; I171-A173 VanDerWaalsContact C-N 3.3Å; I171-A173 PolarHBondContact O-N 2.95Å; I171-E174 PolarHBondContact O-N 3.37Å
172E87.3Confident93.7Very high183 Ų18370.5 Ų70.586%0.85536%0.362SS*.G310 helixtrans-75.1-19-178.2-63.7178.6-17500113.5C170C170-E172 VanDerWaalsContact C-N 3.27Å; C170-E172 PolarHBondContact O-N 3.05Å
173A89.7Confident93.4Very high47 Ų4771.4 Ų71.439%0.38837%0.368SS..G310 helixtrans-94.4-1.4179.800000113C170 I171 T175 C231C170-A173 PolarHBondContact O-N 3.21Å; C170-A173 VanDerWaalsContact O-N 3.09Å; I171-A173 VanDerWaalsContact C-N 3.3Å; I171-A173 PolarHBondContact O-N 2.95Å; A173-T175 PolarHBondContact O-N 3.29Å; A173-C231 HydrophobicContact CB-CB 3.43Å; A173-C231 VanDerWaalsContact CB-CB 3.43Å
174E90.3Very high93.1Very high51 Ų5171.5 Ų71.524%0.23837%0.371CS..  trans-61.6126.1-179.3-70.4-171.5163.500111.7C170 I171 D178 R197C170-E174 PolarHBondContact O-N 3.33Å; I171-E174 PolarHBondContact O-N 3.37Å; E174-D178 HydrophobicContact CB-CB 4.19Å; E174-D178 HydrophobicContact CG-CB 4.4Å; E174-R197 IonicContact OE1-CZ 3.77Å; E174-R197 IonicContact OE1-NH2 2.73Å; E174-R197 PolarHBondContact OE1-NH2 3.16Å
175T92.7Very high92.6Very high72 Ų7270.5 Ų70.544%0.44237%0.373SS..  trans-87.7175.2178.271.20000111.3A173 Y177 D178 K179A173-T175 PolarHBondContact O-N 3.29Å; T175-Y177 PolarHBondContact O-N 2.86Å; T175-Y177 WeakPolarHBondContact OG1-CB 3.27Å; T175-Y177 PolarHBondContact OG1-N 3.02Å; T175-D178 WeakPolarHBondContact CB-OD2 3.44Å; T175-D178 PolarHBondContact N-OD2 2.73Å; T175-D178 PolarHBondContact O-N 2.86Å; T175-D178 PolarHBondContact OG1-N 3.17Å; T175-D178 PolarHBondContact OG1-OD2 3.02Å; T175-K179 WeakPolarHBondContact O-CG 3.04Å; T175-K179 PolarHBondContact O-N 3.44Å; T175-K179 VanDerWaalsContact O-N 3.16Å
176N94.6Very high92.2Very high121 Ų12173.5 Ų73.565%0.64739%0.39SS*.Hα-helixtrans-60.2-32.4170.1-72.2-21.3000112K179 I180N176-K179 PolarHBondContact O-N 3.4Å; N176-I180 WeakPolarHBondContact O-CB 3.45Å; N176-I180 WeakPolarHBondContact O-CD1 3.46Å; N176-I180 WeakPolarHBondContact O-CG1 3.39Å; N176-I180 PolarHBondContact O-N 3.46Å
177Y93.3Very high91.8Very high147 Ų14777.1 Ų77.158%0.57641%0.408SS*.Hα-helixtrans-59.7-50.5175.4173.3-94.6000110.7T175 K179 I180 L181T175-Y177 PolarHBondContact O-N 2.86Å; T175-Y177 WeakPolarHBondContact OG1-CB 3.27Å; T175-Y177 PolarHBondContact OG1-N 3.02Å; Y177-K179 VanDerWaalsContact C-N 3.31Å; Y177-K179 PolarHBondContact O-N 3.45Å; Y177-I180 PolarHBondContact O-N 3.22Å; Y177-L181 HydrophobicContact CE1-CD2 4.11Å; Y177-L181 WeakPolarHBondContact O-CB 3.46Å; Y177-L181 PolarHBondContact O-N 3.47Å
178D92.4Very high91.5Very high7 Ų784.2 Ų84.24%0.03743%0.434CS..Hα-helixtrans-60.5-39.4178.4-58.8-85.9000112.6E174 T175 L181 N182 T198E174-D178 HydrophobicContact CB-CB 4.19Å; E174-D178 HydrophobicContact CG-CB 4.4Å; T175-D178 WeakPolarHBondContact CB-OD2 3.44Å; T175-D178 PolarHBondContact N-OD2 2.73Å; T175-D178 PolarHBondContact O-N 2.86Å; T175-D178 PolarHBondContact OG1-N 3.17Å; T175-D178 PolarHBondContact OG1-OD2 3.02Å; D178-L181 WeakPolarHBondContact O-CB 3.46Å; D178-L181 PolarHBondContact O-N 3.23Å; D178-N182 VanDerWaalsContact O-CB 3.29Å; D178-N182 WeakPolarHBondContact O-CB 3.49Å; D178-N182 PolarHBondContact O-N 3.46Å; D178-T198 PolarHBondContact OD1-N 3.31Å; D178-T198 VanDerWaalsContact OD1-N 3.1Å; D178-T198 PolarHBondContact OD1-OG1 2.95Å; D178-T198 PolarHBondContact OD2-OG1 3.5Å
179K91.9Very high91.2Very high104 Ų10490.2 Ų90.245%0.45245%0.451SS..Hα-helixtrans-65.3-45.1177.6-68.7172.2-174.1171.80111.7T175 N176 Y177 L181 N182 N183T175-K179 WeakPolarHBondContact O-CG 3.04Å; T175-K179 PolarHBondContact O-N 3.44Å; T175-K179 VanDerWaalsContact O-N 3.16Å; N176-K179 PolarHBondContact O-N 3.4Å; Y177-K179 VanDerWaalsContact C-N 3.31Å; Y177-K179 PolarHBondContact O-N 3.45Å; K179-L181 VanDerWaalsContact C-N 3.33Å; K179-N182 PolarHBondContact O-N 3.01Å; K179-N183 WeakPolarHBondContact O-CB 3.01Å; K179-N183 PolarHBondContact O-N 3.24Å; K179-N183 PolarHBondContact O-ND2 2.96Å
180I92.3Very high90.8Very high97 Ų9790.2 Ų90.250%0.49745%0.448SS..Hα-helixtrans-60.6-47.9175.7-69.4163.3000109.2N176 Y177 N182 N183 L184N176-I180 WeakPolarHBondContact O-CB 3.45Å; N176-I180 WeakPolarHBondContact O-CD1 3.46Å; N176-I180 WeakPolarHBondContact O-CG1 3.39Å; N176-I180 PolarHBondContact O-N 3.46Å; Y177-I180 PolarHBondContact O-N 3.22Å; I180-N182 PolarHBondContact O-N 3.14Å; I180-N183 PolarHBondContact O-N 3.29Å; I180-L184 HydrophobicContact CG2-CD1 3.74Å; I180-L184 HydrophobicContact CG2-CG 4.14Å; I180-L184 WeakPolarHBondContact O-CG 3.04Å; I180-L184 PolarHBondContact O-N 3.5Å
181L91.6Very high90.1Very high13 Ų1396.6 Ų96.67%0.06848%0.481CS..Hα-helixtrans-56.4-50.8179.2-157.169.5000111.5Y177 D178 K179 N183 L184 T185 L190 P195Y177-L181 HydrophobicContact CE1-CD2 4.11Å; Y177-L181 WeakPolarHBondContact O-CB 3.46Å; Y177-L181 PolarHBondContact O-N 3.47Å; D178-L181 WeakPolarHBondContact O-CB 3.46Å; D178-L181 PolarHBondContact O-N 3.23Å; K179-L181 VanDerWaalsContact C-N 3.33Å; L181-N183 VanDerWaalsContact C-N 3.31Å; L181-N183 PolarHBondContact O-N 2.96Å; L181-L184 PolarHBondContact O-N 3Å; L181-T185 WeakPolarHBondContact O-CB 3.47Å; L181-T185 PolarHBondContact O-N 3Å; L181-T185 PolarHBondContact O-OG1 3.26Å; L181-L190 HydrophobicContact CD1-CD1 4.07Å; L181-P195 HydrophobicContact CD1-CB 3.75Å; L181-P195 HydrophobicContact CD1-CG 3.17Å; L181-P195 HydrophobicContact CD2-CB 3.76Å; L181-P195 HydrophobicContact CD2-CG 3.67Å; L181-P195 HydrophobicContact CG-CB 4.06Å; L181-P195 HydrophobicContact CG-CG 3.42Å; L181-P195 VanDerWaalsContact CG-CG 3.42Å
182N89.5Confident89.6Confident64 Ų64100.9 Ų100.934%0.34250%0.495SS..Hα-helixtrans-58-42.5177.3-17669.6000112.1D178 K179 I180 H186 R197D178-N182 VanDerWaalsContact O-CB 3.29Å; D178-N182 WeakPolarHBondContact O-CB 3.49Å; D178-N182 PolarHBondContact O-N 3.46Å; K179-N182 PolarHBondContact O-N 3.01Å; I180-N182 PolarHBondContact O-N 3.14Å; N182-H186 WeakPolarHBondContact O-CB 3.34Å; N182-H186 PolarHBondContact O-N 3.12Å; N182-R197 PolarHBondContact OD1-NH1 2.88Å
183N91.9Very high89.1Confident91 Ų9198.1 Ų98.149%0.48749%0.486SS..Hα-helixtrans-67-43.3177.3-71.3-24.7000112.5K179 I180 L181 H186 N187K179-N183 WeakPolarHBondContact O-CB 3.01Å; K179-N183 PolarHBondContact O-N 3.24Å; K179-N183 PolarHBondContact O-ND2 2.96Å; I180-N183 PolarHBondContact O-N 3.29Å; L181-N183 VanDerWaalsContact C-N 3.31Å; L181-N183 PolarHBondContact O-N 2.96Å; N183-H186 PolarHBondContact O-N 2.63Å; N183-N187 VanDerWaalsContact O-CB 3.3Å; N183-N187 WeakPolarHBondContact O-CB 3Å; N183-N187 PolarHBondContact O-N 3.26Å; N183-N187 PolarHBondContact O-ND2 3.04Å
184L91.3Very high88.6Confident59 Ų59101.6 Ų101.631%0.30950%0.502SS..Hα-helixtrans-67.2-39.4179.7-67175.8000111.6I180 L181 N187 K188 K189 L190I180-L184 HydrophobicContact CG2-CD1 3.74Å; I180-L184 HydrophobicContact CG2-CG 4.14Å; I180-L184 WeakPolarHBondContact O-CG 3.04Å; I180-L184 PolarHBondContact O-N 3.5Å; L181-L184 PolarHBondContact O-N 3Å; L184-N187 CarbonylContact O-C 3.58Å; L184-N187 PolarHBondContact O-N 3.25Å; L184-K188 PolarHBondContact O-N 3.33Å; L184-K188 VanDerWaalsContact O-N 3.12Å; L184-K189 HydrophobicContact CB-CB 4.44Å; L184-K189 HydrophobicContact CD2-CB 3.88Å; L184-K189 HydrophobicContact CD2-CD 4.12Å; L184-K189 PolarHBondContact O-N 3.44Å; L184-L190 HydrophobicContact CB-CD1 3.69Å; L184-L190 HydrophobicContact CB-CG 3.78Å; L184-L190 HydrophobicContact CD1-CG 4.46Å
185T90.1Very high88.3Confident53 Ų53100.9 Ų100.933%0.32550%0.502SS..Hα-helixtrans-62.6-47.3174.1-55.70000110.8L181 N187 K188 L190L181-T185 WeakPolarHBondContact O-CB 3.47Å; L181-T185 PolarHBondContact O-N 3Å; L181-T185 PolarHBondContact O-OG1 3.26Å; T185-N187 VanDerWaalsContact C-N 3.28Å; T185-N187 PolarHBondContact O-N 3.09Å; T185-K188 PolarHBondContact O-N 3.25Å; T185-K188 VanDerWaalsContact O-N 3.14Å; T185-L190 WeakPolarHBondContact OG1-CD1 3.04Å
186H88.7Confident87.8Confident154 Ų154102.3 Ų102.371%0.71352%0.515SS*.Hα-helixtrans-63.1-35.5178.5-170.2-78000112.5N182 N183 K188N182-H186 WeakPolarHBondContact O-CB 3.34Å; N182-H186 PolarHBondContact O-N 3.12Å; N183-H186 PolarHBondContact O-N 2.63Å; H186-K188 VanDerWaalsContact C-N 3.29Å; H186-K188 PolarHBondContact O-N 3.29Å
187N90.6Very high87.4Confident99 Ų99102.1 Ų102.153%0.52951%0.505SS..THydrogen-bonded Turntrans-85.64.7178.8-65.5-35.2000113.8N183 L184 T185 K189N183-N187 VanDerWaalsContact O-CB 3.3Å; N183-N187 WeakPolarHBondContact O-CB 3Å; N183-N187 PolarHBondContact O-N 3.26Å; N183-N187 PolarHBondContact O-ND2 3.04Å; L184-N187 CarbonylContact O-C 3.58Å; L184-N187 PolarHBondContact O-N 3.25Å; T185-N187 VanDerWaalsContact C-N 3.28Å; T185-N187 PolarHBondContact O-N 3.09Å; N187-K189 HydrophobicContact CB-CD 4.5Å; N187-K189 HydrophobicContact CB-CG 4.08Å; N187-K189 PolarHBondContact O-N 3.34Å; N187-K189 VanDerWaalsContact O-N 3.16Å
188K89.1Confident87.4Confident187 Ų18796.2 Ų96.281%0.81349%0.485SS*.THydrogen-bonded Turntrans5234.6-177.2-55.2179.9-179.1179.90113L184 T185 H186L184-K188 PolarHBondContact O-N 3.33Å; L184-K188 VanDerWaalsContact O-N 3.12Å; T185-K188 PolarHBondContact O-N 3.25Å; T185-K188 VanDerWaalsContact O-N 3.14Å; H186-K188 VanDerWaalsContact C-N 3.29Å; H186-K188 PolarHBondContact O-N 3.29Å
189K89.8Confident87.5Confident158 Ų15898.9 Ų98.969%0.68750%0.504SS*.  trans-93.2-14.6177.8-73.4-164.6173.2-167.60113L184 N187L184-K189 HydrophobicContact CB-CB 4.44Å; L184-K189 HydrophobicContact CD2-CB 3.88Å; L184-K189 HydrophobicContact CD2-CD 4.12Å; L184-K189 PolarHBondContact O-N 3.44Å; N187-K189 HydrophobicContact CB-CD 4.5Å; N187-K189 HydrophobicContact CB-CG 4.08Å; N187-K189 PolarHBondContact O-N 3.34Å; N187-K189 VanDerWaalsContact O-N 3.16Å
190L85.4Confident87.7Confident55 Ų5594.9 Ų94.929%0.28849%0.488SS..SBendtrans-84.8144.5162.4-71.8159.4000107.6L181 L184 T185 P195L181-L190 HydrophobicContact CD1-CD1 4.07Å; L184-L190 HydrophobicContact CB-CD1 3.69Å; L184-L190 HydrophobicContact CB-CG 3.78Å; L184-L190 HydrophobicContact CD1-CG 4.46Å; T185-L190 WeakPolarHBondContact OG1-CD1 3.04Å; L190-P195 HydrophobicContact CD1-CG 3.78Å
191D80.4Confident88Confident148 Ų14897.1 Ų97.179%0.79149%0.49SS*.  trans-59-168.7169.7-79.1-31.9000110.3D193D191-D193 PolarHBondContact O-N 3.5Å
192K78.3Confident88.3Confident209 Ų20997.9 Ų97.991%0.90950%0.496SS*.SBendtrans-57.7-4.4-177.9-71179.6179.1177.70115.1
193D76.7Confident88.7Confident125 Ų12599.7 Ų99.767%0.66851%0.505SS*.  trans-76.2125176.9-63.4-26.9000110.8D191 P195D191-D193 PolarHBondContact O-N 3.5Å; D193-P195 VanDerWaalsContact C-CD 3.46Å; D193-P195 WeakPolarHBondContact O-CD 3.4Å
194T80.1Confident89Confident119 Ų11996.2 Ų96.273%0.7349%0.489SS*.  trans-101.289.7168.7-54.30000107.7
195P83.6Confident89.3Confident36 Ų3696.9 Ų96.923%0.23449%0.489CS..PPolyproline II helixtrans-63.4145.9-177.426.2-36.2000111L181 L190 D193L181-P195 HydrophobicContact CD1-CB 3.75Å; L181-P195 HydrophobicContact CD1-CG 3.17Å; L181-P195 HydrophobicContact CD2-CB 3.76Å; L181-P195 HydrophobicContact CD2-CG 3.67Å; L181-P195 HydrophobicContact CG-CB 4.06Å; L181-P195 HydrophobicContact CG-CG 3.42Å; L181-P195 VanDerWaalsContact CG-CG 3.42Å; L190-P195 HydrophobicContact CD1-CG 3.78Å; D193-P195 VanDerWaalsContact C-CD 3.46Å; D193-P195 WeakPolarHBondContact O-CD 3.4Å
196S83.3Confident89.7Confident103 Ų10395.5 Ų95.572%0.7248%0.48SS*.PPolyproline II helixtrans-66.5134.3-17657.20000111.1
197R85.5Confident90.2Very high116 Ų11694.3 Ų94.344%0.43848%0.479SS..PPolyproline II helixtrans-83.3164170.2-62177.866.8167.11.4110.3E174 N182 C199E174-R197 IonicContact OE1-CZ 3.77Å; E174-R197 IonicContact OE1-NH2 2.73Å; E174-R197 PolarHBondContact OE1-NH2 3.16Å; N182-R197 PolarHBondContact OD1-NH1 2.88Å; R197-C199 PolarHBondContact O-N 3.07Å; R197-C199 PolarHBondContact O-SG 3.45Å
198T92.8Very high90.6Very high24 Ų2493.4 Ų93.415%0.14747%0.474CS..PPolyproline II helixtrans-48.5124.9168.1-620000111.4C170 D178 C231 V232C170-T198 HydrophobicContact CB-CG2 3.8Å; D178-T198 PolarHBondContact OD1-N 3.31Å; D178-T198 VanDerWaalsContact OD1-N 3.1Å; D178-T198 PolarHBondContact OD1-OG1 2.95Å; D178-T198 PolarHBondContact OD2-OG1 3.5Å; T198-C231 HydrophobicContact CG2-CB 3.6Å; T198-V232 CarbonylContact C-O 3.54Å; T198-V232 WeakPolarHBondContact CA-O 3.47Å
199C94Very high91Very high63 Ų6386.4 Ų86.443%0.42645%0.446SS..  trans-124.3151.6-177.3-70.90000111.9R197 R201 C231 V232R197-C199 PolarHBondContact O-N 3.07Å; R197-C199 PolarHBondContact O-SG 3.45Å; C199-R201 HydrophobicContact CB-CG 4.11Å; C199-R201 PolarHBondContact O-N 3.18Å; C199-C231 WeakPolarHBondContact O-CA 3.32Å; C199-V232 PolarHBondContact N-O 3.31Å; C199-V232 PolarHBondContact O-N 3.25Å; C199-V232 VanDerWaalsContact O-N 3.09Å
200C96.9Very high91.4Very high19 Ų1982.1 Ų82.113%0.12844%0.435CS..EExtended strand (participates in β ladder)trans-76.8107.2172.9-177.70000110C139 S167 G168C139-C200 WeakPolarHBondContact CA-SG 3.45Å; C139-C200 HydrophobicContact CB-CB 3.68Å; C139-C200 WeakPolarHBondContact CB-SG 3.46Å; C139-C200 WeakPolarHBondContact SG-CA 3.09Å; C139-C200 WeakPolarHBondContact SG-CB 3.39Å; C139-C200 CovalentContact SG-SG 2.03Å; C139-C200 PolarHBondContact SG-SG 3.42Å; S167-C200 PolarHBondContact N-SG 3.32Å; G168-C200 WeakPolarHBondContact O-CB 3.34Å
201R97.8Very high92Very high144 Ų14479.6 Ų79.654%0.54342%0.422SS..EExtended strand (participates in β ladder)trans-131.2158-173.8-66.6-71.6-73.2144.3-2.6112C199 I203 C229 A230 V232C199-R201 HydrophobicContact CB-CG 4.11Å; C199-R201 PolarHBondContact O-N 3.18Å; R201-I203 PolarHBondContact O-N 3.48Å; R201-C229 WeakPolarHBondContact O-CA 3.33Å; R201-A230 PolarHBondContact N-O 3.24Å; R201-A230 PolarHBondContact O-N 3.45Å; R201-V232 HydrophobicContact CB-CG2 3.66Å; R201-V232 HydrophobicContact CG-CG2 3.93Å
202P98.4Very high92.8Very high30 Ų3074.8 Ų74.820%0.19540%0.396CS..EExtended strand (participates in β ladder)trans-69.1128172.927.1-32.6000110.8C166 F205 A226 K228C166-P202 VanDerWaalsContact SG-CA 3.54Å; P202-F205 HydrophobicContact CB-CE1 3.99Å; P202-F205 HydrophobicContact CB-CZ 4.13Å; P202-F205 HydrophobicContact CG-CE1 3.78Å; P202-F205 HydrophobicContact CG-CZ 3.84Å; P202-A226 HydrophobicContact CB-CB 3.83Å; P202-K228 WeakPolarHBondContact CA-O 3.45Å
203I98Very high93.7Very high101 Ų10166 Ų6652%0.51836%0.359SS..EExtended strand (participates in β ladder)trans-103.1-10.1170.656161.1000112.3R201 K228 A230 V232R201-I203 PolarHBondContact O-N 3.48Å; I203-K228 HydrophobicContact CD1-CB 4.19Å; I203-K228 HydrophobicContact CG1-CB 3.81Å; I203-K228 WeakPolarHBondContact CG1-O 3.27Å; I203-K228 PolarHBondContact N-O 2.63Å; I203-A230 HydrophobicContact CD1-CB 3.87Å; I203-A230 HydrophobicContact CG1-CB 4.17Å; I203-A230 HydrophobicContact CG2-CB 3.71Å; I203-V232 HydrophobicContact CG2-CG1 3.92Å
204A98.3Very high94.7Very high19 Ų1964.3 Ų64.316%0.15735%0.35CS..EExtended strand (participates in β ladder)trans-146.7150.6168.600000109.1R227 K228A204-R227 HydrophobicContact CB-CB 4.25Å; A204-R227 PolarHBondContact O-N 2.97Å; A204-K228 HydrophobicContact CB-CB 3.98Å; A204-K228 HydrophobicContact CB-CD 4.44Å; A204-K228 HydrophobicContact CB-CG 4.22Å; A204-K228 PolarHBondContact N-O 2.7Å; A204-K228 PolarHBondContact O-N 2.86Å
205F98.8Very high95.5Very high72 Ų7265 Ų6532%0.31635%0.349SS..EExtended strand (participates in β ladder)trans-109156.4177.3-61.8-87000110.4P202 K223 S225 R227P202-F205 HydrophobicContact CB-CE1 3.99Å; P202-F205 HydrophobicContact CB-CZ 4.13Å; P202-F205 HydrophobicContact CG-CE1 3.78Å; P202-F205 HydrophobicContact CG-CZ 3.84Å; F205-K223 HydrophobicContact CB-CB 4.38Å; F205-K223 HydrophobicContact CB-CG 4.44Å; F205-K223 HydrophobicContact CD1-CB 3.84Å; F205-K223 WeakPolarHBondContact CD1-O 3.29Å; F205-K223 HydrophobicContact CD2-CB 4.12Å; F205-K223 HydrophobicContact CD2-CD 4.26Å; F205-K223 HydrophobicContact CD2-CG 3.97Å; F205-K223 HydrophobicContact CE1-CB 4.13Å; F205-K223 HydrophobicContact CE2-CB 4.41Å; F205-K223 HydrophobicContact CE2-CD 4.27Å; F205-K223 HydrophobicContact CE2-CG 4.4Å; F205-K223 HydrophobicContact CG-CB 3.84Å; F205-K223 HydrophobicContact CG-CG 4.06Å; F205-K223 HydrophobicContact CZ-CB 4.41Å; F205-S225 CarbonylContact C-O 3.49Å; F205-S225 VanDerWaalsContact CA-O 3.25Å; F205-S225 WeakPolarHBondContact CA-O 3.33Å; F205-S225 WeakPolarHBondContact CB-O 3.34Å; F205-R227 VanDerWaalsContact C-CB 3.45Å; F205-R227 WeakPolarHBondContact O-CB 3.41Å; F205-R227 PolarHBondContact O-NE 3.34Å
206D98.3Very high96.1Very high25 Ų2568.4 Ų68.413%0.13437%0.369CS..PPolyproline II helixtrans-69.2170.8169.2-76.7-29.7000110.4R164 S225 R227R164-D206 IonicContact CZ-OD2 2.8Å; R164-D206 VanDerWaalsContact NH1-CG 3.28Å; R164-D206 IonicContact NH1-OD1 3.64Å; R164-D206 PolarHBondContact NH1-OD1 2.67Å; R164-D206 IonicContact NH1-OD2 3.2Å; R164-D206 PolarHBondContact NH1-OD2 3.25Å; D206-S225 PolarHBondContact N-O 3.1Å; D206-S225 PolarHBondContact OD2-OG 2.89Å; D206-R227 VanDerWaalsContact OD1-CB 3.25Å; D206-R227 WeakPolarHBondContact OD1-CB 3.37Å; D206-R227 WeakPolarHBondContact OD1-CG 3.44Å
207D98.4Very high96.8Very high129 Ų12966.9 Ų66.969%0.6936%0.355SS*.PPolyproline II helixtrans-65.1160.1179.2-57.2-39.6000111.3L209 H224 R227D207-L209 PolarHBondContact O-N 3.09Å; D207-H224 PolarHBondContact O-CE1 3.48Å; D207-R227 IonicContact OD1-NH1 4Å
208D98.3Very high97.4Very high80 Ų8070 Ų7043%0.42837%0.368SS..PPolyproline II helixtrans-63.6132.8-180-69.5-9.9000110.5T220 L221 K222D208-T220 HydrophobicContact CB-CG2 3.77Å; D208-L221 WeakPolarHBondContact CA-O 3.32Å; D208-K222 WeakPolarHBondContact OD1-CA 3.49Å; D208-K222 WeakPolarHBondContact OD1-CB 3.43Å; D208-K222 WeakPolarHBondContact OD1-CG 3.22Å; D208-K222 VanDerWaalsContact OD2-CD 3.3Å; D208-K222 WeakPolarHBondContact OD2-CD 3.42Å; D208-K222 WeakPolarHBondContact OD2-CE 3.47Å; D208-K222 WeakPolarHBondContact OD2-CG 3.5Å; D208-K222 IonicContact OD2-NZ 3.67Å
209L98Very high97.6Very high40 Ų4071 Ų7121%0.20937%0.371CS..EExtended strand (participates in β ladder)trans-95.1127.6176174.869.5000108.8L161 D207 F211 T220 L221 H224L161-L209 HydrophobicContact CB-CD2 3.64Å; L161-L209 HydrophobicContact CD1-CD2 4.12Å; L161-L209 HydrophobicContact CD2-CD2 4.03Å; L161-L209 HydrophobicContact CG-CD2 4.14Å; D207-L209 PolarHBondContact O-N 3.09Å; L209-F211 HydrophobicContact CD2-CD1 4.46Å; L209-F211 HydrophobicContact CG-CD1 4.47Å; L209-T220 CarbonylContact O-C 3.48Å; L209-T220 VanDerWaalsContact O-CA 3.27Å; L209-T220 WeakPolarHBondContact O-CA 3.43Å; L209-L221 HydrophobicContact CB-CB 4.49Å; L209-L221 PolarHBondContact N-O 3.49Å; L209-L221 PolarHBondContact O-N 2.94Å; L209-H224 WeakPolarHBondContact CB-CE1 3.45Å
210S98Very high97.8Very high68 Ų6871.1 Ų71.148%0.47637%0.37SS..EExtended strand (participates in β ladder)trans-116.2136172.8-57.40000110.6H219 T220S210-H219 WeakPolarHBondContact CA-O 3.41Å; S210-T220 PolarHBondContact OG-OG1 2.9Å; S210-T220 VanDerWaalsContact OG-OG1 3.07Å
211F97.9Very high97.9Very high1 Ų170.9 Ų70.90%0.00437%0.368CS..EExtended strand (participates in β ladder)trans-142.5162-179.360.8-97000110.7V148 Y155 T157 E159 L209 H219 L221V148-F211 HydrophobicContact CG1-CD1 4.19Å; V148-F211 HydrophobicContact CG1-CD2 4.35Å; V148-F211 HydrophobicContact CG1-CE1 3.66Å; V148-F211 HydrophobicContact CG1-CE2 3.88Å; V148-F211 HydrophobicContact CG1-CZ 3.52Å; V148-F211 HydrophobicContact CG2-CD1 4.13Å; V148-F211 HydrophobicContact CG2-CE1 4.35Å; V148-F211 HydrophobicContact CG2-CG 4.38Å; Y155-F211 AromaticContact CD1-CE2 3.88Å; Y155-F211 HydrophobicContact CD1-CE2 3.88Å; Y155-F211 AromaticContact CD1-CZ 3.76Å; Y155-F211 HydrophobicContact CD1-CZ 3.76Å; Y155-F211 HydrophobicContact CD2-CE2 4.38Å; Y155-F211 AromaticContact CD2-CZ 3.64Å; Y155-F211 HydrophobicContact CD2-CZ 3.64Å; Y155-F211 HydrophobicContact CE1-CZ 4.1Å; Y155-F211 HydrophobicContact CE2-CZ 4Å; Y155-F211 AromaticContact CG-CE2 3.8Å; Y155-F211 HydrophobicContact CG-CE2 3.8Å; Y155-F211 AromaticContact CG-CZ 3.51Å; Y155-F211 HydrophobicContact CG-CZ 3.51Å; T157-F211 HydrophobicContact CG2-CD2 3.9Å; T157-F211 HydrophobicContact CG2-CE2 3.99Å; E159-F211 HydrophobicContact CB-CB 3.96Å; E159-F211 HydrophobicContact CG-CB 3.99Å; E159-F211 VanDerWaalsContact OE1-CA 3.32Å; E159-F211 WeakPolarHBondContact OE1-CA 3.48Å; E159-F211 WeakPolarHBondContact OE1-CB 3.5Å; E159-F211 VanDerWaalsContact OE2-CA 3.29Å; E159-F211 WeakPolarHBondContact OE2-CA 3.2Å; E159-F211 WeakPolarHBondContact OE2-CB 3.4Å; L209-F211 HydrophobicContact CD2-CD1 4.46Å; L209-F211 HydrophobicContact CG-CD1 4.47Å; F211-H219 HydrophobicContact CD2-CB 4.29Å; F211-H219 HydrophobicContact CE1-CB 4.24Å; F211-H219 HydrophobicContact CE2-CB 3.77Å; F211-H219 AromaticContact CE2-CD2 3.96Å; F211-H219 HydrophobicContact CZ-CB 3.72Å; F211-H219 PolarHBondContact N-O 3.48Å; F211-H219 PolarHBondContact O-N 2.71Å; F211-L221 HydrophobicContact CE1-CD1 3.74Å; F211-L221 HydrophobicContact CE1-CG 3.76Å
212L98Very high97.9Very high47 Ų4770.8 Ų70.825%0.24637%0.371CS..EExtended strand (participates in β ladder)trans-103.2136.7173.4-159.575.3000109.9T157 E159 V216 V217 Y218T157-L212 WeakPolarHBondContact CB-O 3.26Å; T157-L212 PolarHBondContact OG1-O 2.98Å; E159-L212 PolarHBondContact OE1-N 2.96Å; L212-V216 HydrophobicContact CD1-CG1 4.4Å; L212-V216 HydrophobicContact CD2-CB 4.48Å; L212-V216 HydrophobicContact CD2-CG1 3.87Å; L212-V216 HydrophobicContact CG-CG1 4.47Å; L212-V217 WeakPolarHBondContact CA-O 3.49Å; L212-Y218 HydrophobicContact CD1-CD1 3.75Å; L212-Y218 HydrophobicContact CD1-CD2 3.7Å; L212-Y218 HydrophobicContact CD1-CE1 3.76Å; L212-Y218 HydrophobicContact CD1-CE2 3.72Å; L212-Y218 HydrophobicContact CD1-CG 3.72Å
213D97.2Very high97.9Very high25 Ų2576.6 Ų76.613%0.13439%0.393CS..  trans-87.2175.6172.770.212.8000112.8Q156 D215 V216 V217 H219Q156-D213 WeakPolarHBondContact O-CA 3.4Å; Q156-D213 VanDerWaalsContact O-CB 3.3Å; Q156-D213 WeakPolarHBondContact O-CB 3.44Å; D213-D215 PolarHBondContact O-N 3.07Å; D213-D215 VanDerWaalsContact OD1-C 3.3Å; D213-D215 WeakPolarHBondContact OD1-CA 2.96Å; D213-D215 PolarHBondContact OD1-N 2.84Å; D213-D215 VanDerWaalsContact OD1-N 3.07Å; D213-V216 PolarHBondContact O-N 2.87Å; D213-V216 PolarHBondContact OD1-N 3.11Å; D213-V216 VanDerWaalsContact OD1-N 3.07Å; D213-V217 PolarHBondContact N-O 3.2Å; D213-V217 WeakPolarHBondContact OD1-CA 3.44Å; D213-V217 WeakPolarHBondContact OD1-CB 3.01Å; D213-V217 PolarHBondContact OD1-N 3.38Å; D213-H219 IonicContact OD2-CD2 3.52Å; D213-H219 IonicContact OD2-CE1 3.82Å; D213-H219 IonicContact OD2-NE2 2.73Å; D213-H219 PolarHBondContact OD2-NE2 2.62Å
214D97.4Very high97.9Very high90 Ų9073.7 Ų73.748%0.48138%0.377SS..THydrogen-bonded Turntrans-63.7-22179.3-70.9-27.5000112.6Q156 V216Q156-D214 PolarHBondContact O-N 2.77Å; D214-V216 VanDerWaalsContact C-N 3.27Å
215D96.6Very high97.9Very high132 Ų13272.8 Ų72.871%0.70637%0.37SS*.THydrogen-bonded Turntrans-87.78.6174.8-67.1-41.1000112.8D213 V217D213-D215 PolarHBondContact O-N 3.07Å; D213-D215 VanDerWaalsContact OD1-C 3.3Å; D213-D215 WeakPolarHBondContact OD1-CA 2.96Å; D213-D215 PolarHBondContact OD1-N 2.84Å; D213-D215 VanDerWaalsContact OD1-N 3.07Å; D215-V217 VanDerWaalsContact C-N 3.26Å; D215-V217 HydrophobicContact CB-CG2 4.29Å; D215-V217 PolarHBondContact O-N 3.35Å
216V96.1Very high97.9Very high109 Ų10969.6 Ų69.666%0.66136%0.357SS*.SBendtrans63.931.5178.2-159.50000112L212 D213 D214L212-V216 HydrophobicContact CD1-CG1 4.4Å; L212-V216 HydrophobicContact CD2-CB 4.48Å; L212-V216 HydrophobicContact CD2-CG1 3.87Å; L212-V216 HydrophobicContact CG-CG1 4.47Å; D213-V216 PolarHBondContact O-N 2.87Å; D213-V216 PolarHBondContact OD1-N 3.11Å; D213-V216 VanDerWaalsContact OD1-N 3.07Å; D214-V216 VanDerWaalsContact C-N 3.27Å
217V97.9Very high97.9Very high70 Ų7074.4 Ų74.442%0.42437%0.373SS..  trans-103132.7175.6-176.10000109.9L212 D213 D215 H219L212-V217 WeakPolarHBondContact CA-O 3.49Å; D213-V217 PolarHBondContact N-O 3.2Å; D213-V217 WeakPolarHBondContact OD1-CA 3.44Å; D213-V217 WeakPolarHBondContact OD1-CB 3.01Å; D213-V217 PolarHBondContact OD1-N 3.38Å; D215-V217 VanDerWaalsContact C-N 3.26Å; D215-V217 HydrophobicContact CB-CG2 4.29Å; D215-V217 PolarHBondContact O-N 3.35Å; V217-H219 PolarHBondContact O-CD2 3.42Å; V217-H219 VanDerWaalsContact O-CD2 3.3Å
218Y97.8Very high97.9Very high181 Ų18174.4 Ų74.471%0.7137%0.367SS*.EExtended strand (participates in β ladder)trans-80134.1176.4-77.6-77.4000111.5L212L212-Y218 HydrophobicContact CD1-CD1 3.75Å; L212-Y218 HydrophobicContact CD1-CD2 3.7Å; L212-Y218 HydrophobicContact CD1-CE1 3.76Å; L212-Y218 HydrophobicContact CD1-CE2 3.72Å; L212-Y218 HydrophobicContact CD1-CG 3.72Å
219H98.1Very high97.9Very high45 Ų4572 Ų7221%0.20836%0.356CS..EExtended strand (participates in β ladder)trans-125.4154.6173.7-61.7-78.4000110.7Y155 S210 F211 D213 V217Y155-H219 HydrophobicContact CD1-CB 4.49Å; Y155-H219 AromaticContact CD1-CG 3.97Å; Y155-H219 HydrophobicContact CE1-CB 4.04Å; Y155-H219 AromaticContact CE1-CG 3.63Å; Y155-H219 AromaticContact CE1-ND1 3.54Å; S210-H219 WeakPolarHBondContact CA-O 3.41Å; F211-H219 HydrophobicContact CD2-CB 4.29Å; F211-H219 HydrophobicContact CE1-CB 4.24Å; F211-H219 HydrophobicContact CE2-CB 3.77Å; F211-H219 AromaticContact CE2-CD2 3.96Å; F211-H219 HydrophobicContact CZ-CB 3.72Å; F211-H219 PolarHBondContact N-O 3.48Å; F211-H219 PolarHBondContact O-N 2.71Å; D213-H219 IonicContact OD2-CD2 3.52Å; D213-H219 IonicContact OD2-CE1 3.82Å; D213-H219 IonicContact OD2-NE2 2.73Å; D213-H219 PolarHBondContact OD2-NE2 2.62Å; V217-H219 PolarHBondContact O-CD2 3.42Å; V217-H219 VanDerWaalsContact O-CD2 3.3Å
220T98.3Very high97.8Very high67 Ų6771.4 Ų71.441%0.41136%0.357SS..EExtended strand (participates in β ladder)trans-134.4120.5177.1-55.80000111D208 L209 S210 K222D208-T220 HydrophobicContact CB-CG2 3.77Å; L209-T220 CarbonylContact O-C 3.48Å; L209-T220 VanDerWaalsContact O-CA 3.27Å; L209-T220 WeakPolarHBondContact O-CA 3.43Å; S210-T220 PolarHBondContact OG-OG1 2.9Å; S210-T220 VanDerWaalsContact OG-OG1 3.07Å; T220-K222 HydrophobicContact CG2-CG 4.39Å
221L98.1Very high97.7Very high13 Ų1370 Ų707%0.06835%0.347CS..EExtended strand (participates in β ladder)trans-94.9119.8175-63.8179.8000111.2L151 L153 Y155 D208 L209 F211 H224L151-L221 HydrophobicContact CD1-CD1 3.81Å; L153-L221 HydrophobicContact CD1-CD1 4.2Å; L153-L221 HydrophobicContact CD1-CD2 3.94Å; Y155-L221 HydrophobicContact CE2-CD2 3.8Å; D208-L221 WeakPolarHBondContact CA-O 3.32Å; L209-L221 HydrophobicContact CB-CB 4.49Å; L209-L221 PolarHBondContact N-O 3.49Å; L209-L221 PolarHBondContact O-N 2.94Å; F211-L221 HydrophobicContact CE1-CD1 3.74Å; F211-L221 HydrophobicContact CE1-CG 3.76Å; L221-H224 HydrophobicContact CB-CB 3.93Å; L221-H224 PolarHBondContact O-ND1 3.35Å
222K98.3Very high97.5Very high142 Ų14275.4 Ų75.462%0.61738%0.38SS*.  trans-105.7147.5178-48.9-159.8175.3-171.30111.1D208 T220 H224D208-K222 WeakPolarHBondContact OD1-CA 3.49Å; D208-K222 WeakPolarHBondContact OD1-CB 3.43Å; D208-K222 WeakPolarHBondContact OD1-CG 3.22Å; D208-K222 VanDerWaalsContact OD2-CD 3.3Å; D208-K222 WeakPolarHBondContact OD2-CD 3.42Å; D208-K222 WeakPolarHBondContact OD2-CE 3.47Å; D208-K222 WeakPolarHBondContact OD2-CG 3.5Å; D208-K222 IonicContact OD2-NZ 3.67Å; T220-K222 HydrophobicContact CG2-CG 4.39Å; K222-H224 PolarHBondContact O-N 2.85Å
223K98.3Very high97.5Very high153 Ų15376.9 Ų76.967%0.66539%0.387SS*.SBendtrans49.533179.5-59.2-177-179.4178.80113.2F205F205-K223 HydrophobicContact CB-CB 4.38Å; F205-K223 HydrophobicContact CB-CG 4.44Å; F205-K223 HydrophobicContact CD1-CB 3.84Å; F205-K223 WeakPolarHBondContact CD1-O 3.29Å; F205-K223 HydrophobicContact CD2-CB 4.12Å; F205-K223 HydrophobicContact CD2-CD 4.26Å; F205-K223 HydrophobicContact CD2-CG 3.97Å; F205-K223 HydrophobicContact CE1-CB 4.13Å; F205-K223 HydrophobicContact CE2-CB 4.41Å; F205-K223 HydrophobicContact CE2-CD 4.27Å; F205-K223 HydrophobicContact CE2-CG 4.4Å; F205-K223 HydrophobicContact CG-CB 3.84Å; F205-K223 HydrophobicContact CG-CG 4.06Å; F205-K223 HydrophobicContact CZ-CB 4.41Å
224H98.1Very high97.5Very high39 Ų3979.6 Ų79.618%0.18140%0.4CS..  trans-87-33.8-172.467.3-83.4000111.7F163 D207 L209 L221 K222F163-H224 WeakPolarHBondContact CE2-O 3.3Å; D207-H224 PolarHBondContact O-CE1 3.48Å; L209-H224 WeakPolarHBondContact CB-CE1 3.45Å; L221-H224 HydrophobicContact CB-CB 3.93Å; L221-H224 PolarHBondContact O-ND1 3.35Å; K222-H224 PolarHBondContact O-N 2.85Å
225S98.4Very high97.5Very high1 Ų179 Ų791%0.00740%0.396CS..SBendtrans-120.8145.4-178.7175.80000111.4R164 F205 D206R164-S225 WeakPolarHBondContact CB-OG 3.37Å; R164-S225 PolarHBondContact N-OG 3.48Å; F205-S225 CarbonylContact C-O 3.49Å; F205-S225 VanDerWaalsContact CA-O 3.25Å; F205-S225 WeakPolarHBondContact CA-O 3.33Å; F205-S225 WeakPolarHBondContact CB-O 3.34Å; D206-S225 PolarHBondContact N-O 3.1Å; D206-S225 PolarHBondContact OD2-OG 2.89Å
226A98.7Very high97.6Very high5 Ų575.9 Ų75.94%0.04138%0.377CS..EExtended strand (participates in β ladder)trans-81.4136.6179.300000112.1L141 R164 P202L141-A226 HydrophobicContact CD1-CB 3.72Å; L141-A226 WeakPolarHBondContact CD1-O 3.49Å; R164-A226 WeakPolarHBondContact CB-O 3.36Å; R164-A226 WeakPolarHBondContact O-CB 3.37Å; R164-A226 PolarHBondContact O-N 2.85Å; P202-A226 HydrophobicContact CB-CB 3.83Å
227R98.3Very high97.7Very high126 Ų12673.8 Ų73.848%0.47536%0.36SS..EExtended strand (participates in β ladder)trans-103.9-33.4173.3-170.116965.5-174.2-1.9113.3A204 F205 D206 D207A204-R227 HydrophobicContact CB-CB 4.25Å; A204-R227 PolarHBondContact O-N 2.97Å; F205-R227 VanDerWaalsContact C-CB 3.45Å; F205-R227 WeakPolarHBondContact O-CB 3.41Å; F205-R227 PolarHBondContact O-NE 3.34Å; D206-R227 VanDerWaalsContact OD1-CB 3.25Å; D206-R227 WeakPolarHBondContact OD1-CB 3.37Å; D206-R227 WeakPolarHBondContact OD1-CG 3.44Å; D207-R227 IonicContact OD1-NH1 4Å
228K98.1Very high97.7Very high129 Ų12974.1 Ų74.156%0.56136%0.355SS*.EExtended strand (participates in β ladder)trans-142.3141.7178.6-65.3-174.7179.1-178.30110.1P202 I203 A204P202-K228 WeakPolarHBondContact CA-O 3.45Å; I203-K228 HydrophobicContact CD1-CB 4.19Å; I203-K228 HydrophobicContact CG1-CB 3.81Å; I203-K228 WeakPolarHBondContact CG1-O 3.27Å; I203-K228 PolarHBondContact N-O 2.63Å; A204-K228 HydrophobicContact CB-CB 3.98Å; A204-K228 HydrophobicContact CB-CD 4.44Å; A204-K228 HydrophobicContact CB-CG 4.22Å; A204-K228 PolarHBondContact N-O 2.7Å; A204-K228 PolarHBondContact O-N 2.86Å
229C98Very high97.7Very high28 Ų2866.4 Ų66.419%0.18933%0.33CS..EExtended strand (participates in β ladder)trans-115.6145.8-179.9-57.80000110.9L141 C166 R201L141-C229 WeakPolarHBondContact CD1-SG 3.49Å; C166-C229 WeakPolarHBondContact CA-SG 3.35Å; C166-C229 HydrophobicContact CB-CB 3.7Å; C166-C229 WeakPolarHBondContact CB-SG 3.5Å; C166-C229 WeakPolarHBondContact SG-CA 3.46Å; C166-C229 WeakPolarHBondContact SG-CB 3.5Å; C166-C229 CovalentContact SG-SG 2.03Å; C166-C229 PolarHBondContact SG-SG 2.03Å; R201-C229 WeakPolarHBondContact O-CA 3.33Å
230A96.5Very high97.6Very high29 Ų2968.1 Ų68.124%0.2434%0.339CS..EExtended strand (participates in β ladder)trans-151166.3168.800000110.9C139 R201 I203 V232C139-A230 VanDerWaalsContact SG-C 3.54Å; C139-A230 PolarHBondContact SG-O 3.1Å; R201-A230 PolarHBondContact N-O 3.24Å; R201-A230 PolarHBondContact O-N 3.45Å; I203-A230 HydrophobicContact CD1-CB 3.87Å; I203-A230 HydrophobicContact CG1-CB 4.17Å; I203-A230 HydrophobicContact CG2-CB 3.71Å; A230-V232 HydrophobicContact CB-CG1 4.47Å
231C96.1Very high97.6Very high39 Ų3968.2 Ų68.226%0.26433%0.333SS..EExtended strand (participates in β ladder)trans-82.6120.9169-64.60000109C139 C170 A173 T198 C199C139-C231 VanDerWaalsContact CB-SG 3.57Å; C170-C231 WeakPolarHBondContact CA-SG 3.48Å; C170-C231 HydrophobicContact CB-CB 3.7Å; C170-C231 WeakPolarHBondContact CB-SG 3.39Å; C170-C231 WeakPolarHBondContact SG-CA 3.23Å; C170-C231 WeakPolarHBondContact SG-CB 3.32Å; C170-C231 CovalentContact SG-SG 2.03Å; C170-C231 PolarHBondContact SG-SG 3.47Å; A173-C231 HydrophobicContact CB-CB 3.43Å; A173-C231 VanDerWaalsContact CB-CB 3.43Å; T198-C231 HydrophobicContact CG2-CB 3.6Å; C199-C231 WeakPolarHBondContact O-CA 3.32Å
232V94.3Very high97.5Very high114 Ų11473.2 Ų73.269%0.69136%0.357SS*.  trans-138.80-178.1-57.50000111.6T198 C199 R201 I203 A230T198-V232 CarbonylContact C-O 3.54Å; T198-V232 WeakPolarHBondContact CA-O 3.47Å; C199-V232 PolarHBondContact N-O 3.31Å; C199-V232 PolarHBondContact O-N 3.25Å; C199-V232 VanDerWaalsContact O-N 3.09Å; R201-V232 HydrophobicContact CB-CG2 3.66Å; R201-V232 HydrophobicContact CG-CG2 3.93Å; I203-V232 HydrophobicContact CG2-CG1 3.92Å; A230-V232 HydrophobicContact CB-CG1 4.47Å

Retrieved 232 of 232 residues in 81.4 ms (Link to these results)