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5'-AMP-activated protein kinase subunit beta-1

Non-catalytic subunit of AMP-activated protein kinase (AMPK), an energy sensor protein kinase that plays a key role in regulating cellular energy metabolism. In response to reduction of intracellular ATP levels, AMPK activates energy-producing pathways and inhibits energy-consuming processes: inhibits protein, carbohydrate and lipid biosynthesis, as well as cell growth and proliferation. AMPK acts via direct phosphorylation of metabolic enzymes, and by longer-term effects via phosphorylation of transcription regulators. Also acts as a regulator of cellular polarity by remodeling the actin cytoskeleton; probably by indirectly activating myosin. Beta non-catalytic subunit acts as a scaffold on which the AMPK complex assembles, via its C-terminus that bridges alpha (PRKAA1 or PRKAA2) and gamma subunits (PRKAG1, PRKAG2 or PRKAG3).

AlphaFold DB , UniProt , Accession A0A093I9H9, Species STRCA (Struthio camelus australis), Gene n/a, Length 273 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
1M34.8Very low33.6Very low253 Ų253138.9 Ų138.9100%1.24682%0.824SS**  0122.70-57.9170.6-178.200106.4
2G35.5Very low33Very low74 Ų74141.8 Ų141.876%0.76382%0.823SS**  cis-161.2161.7-8.100000109.3
3N33.4Very low32.8Very low153 Ų153149.5 Ų149.582%0.81883%0.83SS**  trans-71.5166.2176.4-58.3-7.9000111.5
4T37.2Very low32.6Very low149 Ų149152.6 Ų152.691%0.91483%0.834SS**  -163.4163.1116.628.60000112.1
5S38.6Very low32.2Very low108 Ų108146.3 Ų146.376%0.75582%0.819SS**  trans-122.9-162.8-164.6-44.30000112.5
6S38.5Very low32Very low98 Ų98149.9 Ų149.969%0.68583%0.826SS**  trans81.8151163-77.30000118.1
7E32.7Very low31.9Very low135 Ų135153.1 Ų153.163%0.63183%0.83SS**  cis-165.2138.5-18.9-114176.8118.200107.7
8R31.3Very low31.8Very low219 Ų219149.8 Ų149.883%0.82683%0.827SS**  75.4112.292.6-167.4-170.4-157.2159.53117.9
9A30.4Very low31.7Very low102 Ų102147.4 Ų147.484%0.84382%0.822SS**  trans-166.3143.214600000107.8
10G27.9Very low31.5Very low67 Ų67153 Ų15369%0.69183%0.83SS**  cis127.794.9-2.800000112.3
11L29.3Very low31.4Very low170 Ų170149.6 Ų149.689%0.8983%0.83SS**  trans-176.8121.3155.9-105.5152.5000112.4
12E26.4Very low31.2Very low174 Ų174145.5 Ų145.581%0.81381%0.814SS**  trans-91.3161.8165.6-62.6-177.4116.500111.4
13R30.3Very low30.8Very low242 Ų242149.6 Ų149.691%0.91382%0.818SS**  trans-160.4145.1140.4-109.4168-160.9-130.43112.6
14H29.7Very low30.7Very low193 Ų193147.4 Ų147.489%0.89482%0.815SS**  trans-60162.4176.6-56.7-29.5000113.1
15G26.6Very low30.3Very low58 Ų58144.3 Ų144.360%0.59881%0.812SS**  cis137.5161.2400000110.6
16H29.5Very low29.7Very low203 Ų203142.6 Ų142.694%0.9481%0.812SS**  trans-175.3156.5154.8-100.2-67.8000113.1
17K30.2Very low29.3Very low204 Ų204142.6 Ų142.689%0.88782%0.818SS**  trans-84.4172.4-178.6-59.5168.7174.11720111.2
18A29.9Very low29.2Very low94 Ų94143.3 Ų143.378%0.77782%0.824SS**  cis-145.1-154.512.400000109.6
19S30.7Very low29.1Very low105 Ų105137.7 Ų137.773%0.73482%0.819SS**  cis-159.8129.12.339.50000109.7
20R28.1Very low29Very low258 Ų258138.2 Ų138.297%0.97481%0.812SS**  54.3120.8105.7-95.7-173.3171.5166.8-2.4118.5
21G28.5Very low29.2Very low82 Ų82142.8 Ų142.885%0.84581%0.813SS**  trans165.972.5164.100000115.4
22D29.9Very low29.2Very low168 Ų168142.2 Ų142.290%0.89881%0.805SS**  trans-76.4148.2166.1-91.7-51000111.3
23N28.2Very low29.4Very low160 Ų160137.3 Ų137.386%0.85680%0.801SS**  trans-158.6149.4133.8-156.551.6000112.7
24S31Very low29.4Very low107 Ų107133.9 Ų133.975%0.74880%0.801SS**  trans-129.8159.7-167.857.20000114.6
25G28.4Very low29.7Very low83 Ų83135.6 Ų135.686%0.85680%0.8SS**  trans88.3149.1170.300000115.4
26G27Very low30.6Very low73 Ų73137.9 Ų137.975%0.75380%0.804SS**  cis145.1145.7-2.800000112.2
27A28.6Very low30.8Very low98 Ų98138.4 Ų138.481%0.8180%0.804SS**  trans76.3151.2172.500000116.9
28I31.2Very low31.5Very low149 Ų149136 Ų13676%0.76480%0.799SS**  cis-165.2159.3-7.5-116.8169.9000110.8
29S28.8Very low31.8Very low102 Ų102139.4 Ų139.471%0.71380%0.803SS**  trans67.7153.1160.6-81.60000119.7
30T29.7Very low32.7Very low113 Ų113142.8 Ų142.869%0.69381%0.81SS**  cis-157.1153.17.7-2.20000111.1
31K31Very low33.1Very low163 Ų163137.8 Ų137.871%0.70980%0.802SS**  trans37.7153.2141.9-72.7173.4161-117.80120.6
32E28.6Very low33.4Very low157 Ų157139 Ų13973%0.73480%0.797SS**  cis-155.9153.8-2.6-116.4152-17900103.9
33G31.5Very low34.4Very low71 Ų71137 Ų13773%0.73279%0.794SS**  114.9112.763.700000109.7
34D31.1Very low35.3Very low171 Ų171137.4 Ų137.491%0.91479%0.791SS**  trans82.5137.6162.7-120.712.1000123
35R34.4Very low35.6Very low229 Ų229139.7 Ų139.786%0.86479%0.794SS**  trans-130.7176.1170.3-74.8-177177.2-173.3-0.5106
36P46.3Very low36.3Very low106 Ų106140.3 Ų140.369%0.68879%0.791SS**  cis-124.3169.2-36.935.8-22.3000111
37K33.7Very low37.1Very low213 Ų213144.2 Ų144.293%0.92680%0.795SS**  trans-138.1119.1144.7-74.7-164.6178.51770110.6
38I44.1Very low37.6Very low154 Ų154146.2 Ų146.279%0.7979%0.792SS**  trans-81.8122.1168.4-62.3165.2000106.5
39L37.8Very low37.8Very low166 Ų166148.8 Ų148.887%0.86980%0.797SS**  trans-137.7125.7151.8-15481.5000107
40M48.2Very low38.1Very low176 Ų176153.1 Ų153.187%0.86781%0.806SS**  trans-113.4101.3-177.8171.9175.1165.300106.5
41D37.3Very low38.3Very low153 Ų153152.9 Ų152.982%0.81881%0.809SS**  trans-164102.4169.3-119.4-14000110.5
42S35.4Very low38.4Very low106 Ų106153.7 Ų153.774%0.74182%0.816SS**  trans165.9130.6140.6-103.10000110.4E44S42-E44 PolarHBondContact O-N 2.87Å
43P51.1Low38.9Very low128 Ų128155.2 Ų155.283%0.83182%0.823SS**  trans-101.153.1-176.240.3-35.3000112.9
44E45.6Very low39.3Very low167 Ų167160.2 Ų160.278%0.7883%0.829SS**  trans-135.981.1-176.8-34.3-167.3-179.800111.6S42S42-E44 PolarHBondContact O-N 2.87Å
45D38.2Very low39.7Very low155 Ų155160.5 Ų160.583%0.82982%0.822SS**  trans-161.479.8164.8-110-25.7000108.9
46A42Very low40.3Very low96 Ų96153.3 Ų153.379%0.79381%0.812SS**  trans-113.92.4-175.200000114.2
47D43.9Very low40.4Very low156 Ų156151 Ų15183%0.83480%0.797SS**  trans-122.359.2-170.3-73.6-51.7000112.7
48L40.3Very low41.3Very low140 Ų140146.1 Ų146.173%0.73378%0.78SS**  trans-126.932.7-179.8-116.2167.4000114.8
49F34.2Very low41.7Very low202 Ų202146.1 Ų146.189%0.88678%0.777SS**  trans-138.886.2163.9-75.4-76000111.4S51F49-S51 PolarHBondContact O-N 3.01Å
50H36.8Very low42.5Very low193 Ų193145.4 Ų145.489%0.89477%0.767SS**  trans-70.5107.7161.9-74.5-59.1000109.3E52H50-E52 PolarHBondContact O-N 2.88Å
51S33.2Very low42.8Very low109 Ų109142.6 Ų142.676%0.76275%0.752SS**  trans-75.1115.1171.5-58.70000110.3F49 E53F49-S51 PolarHBondContact O-N 3.01Å; S51-E53 PolarHBondContact O-N 3.07Å
52E33.1Very low43.5Very low180 Ų180140.9 Ų140.984%0.84174%0.739SS**  trans-74116162-73.5-169.1128.600109.3H50 M54H50-E52 PolarHBondContact O-N 2.88Å; E52-M54 PolarHBondContact O-N 3.39Å
53E38.8Very low44.1Very low189 Ų189142.4 Ų142.488%0.88373%0.732SS**  trans-70.987.4178.7-70.9-173.6124.900112.1S51 K55S51-E53 PolarHBondContact O-N 3.07Å; E53-K55 VanDerWaalsContact C-N 3.27Å; E53-K55 PolarHBondContact O-N 2.78Å
54M40.2Very low44.3Very low175 Ų175140.6 Ų140.686%0.86272%0.715SS**  trans-79.276.8164.2-77.4-163.6162.300111.9E52 A56E52-M54 PolarHBondContact O-N 3.39Å; M54-A56 PolarHBondContact O-N 2.73Å
55K39.8Very low44.6Very low177 Ų177134.7 Ų134.777%0.7769%0.694SS**  trans23.580.7147.5-160.1-178.9-174.5-173.60117.3E53 P57E53-K55 VanDerWaalsContact C-N 3.27Å; E53-K55 PolarHBondContact O-N 2.78Å; K55-P57 HydrophobicContact CG-CG 4.27Å; K55-P57 VanDerWaalsContact O-CD 3.3Å; K55-P57 WeakPolarHBondContact O-CD 3.28Å
56A45.8Very low45.4Very low79 Ų79136.7 Ų136.765%0.65369%0.691SS**  trans-103.656172.100000116.9M54M54-A56 PolarHBondContact O-N 2.73Å
57P49.2Very low45.8Very low57 Ų57137 Ų13737%0.3768%0.676SS.*SBendtrans-80.9-43.3159.5-13.629.6000112.7K55 E59 K60 E61K55-P57 HydrophobicContact CG-CG 4.27Å; K55-P57 VanDerWaalsContact O-CD 3.3Å; K55-P57 WeakPolarHBondContact O-CD 3.28Å; P57-E59 PolarHBondContact O-N 2.86Å; P57-K60 PolarHBondContact O-N 3.08Å; P57-E61 PolarHBondContact O-N 2.85Å
58L53.1Low45.8Very low110 Ų110136.1 Ų136.158%0.57667%0.666SS**Hα-helixtrans-65.4-46.8-162.5-74.1164.5000113.8K60 E61 E62L58-K60 PolarHBondContact O-N 3.25Å; L58-E61 PolarHBondContact O-N 2.88Å; L58-E62 WeakPolarHBondContact O-CB 3.28Å; L58-E62 WeakPolarHBondContact O-CG 3.41Å; L58-E62 PolarHBondContact O-N 2.98Å
59E52.8Low45.9Very low154 Ų154135.1 Ų135.172%0.7266%0.662SS**Hα-helixtrans-64.1-28.7180-66.8-175.1154.100112.8P57 F63P57-E59 PolarHBondContact O-N 2.86Å; E59-F63 VanDerWaalsContact O-CB 3.29Å; E59-F63 WeakPolarHBondContact O-CB 3.38Å; E59-F63 PolarHBondContact O-N 2.85Å
60K52.9Low46.6Very low151 Ų151132.9 Ų132.966%0.65766%0.659SS**Hα-helixtrans-79.4-36.3177.7-167.6176.4-178.3-179.60111.5P57 L58 L64P57-K60 PolarHBondContact O-N 3.08Å; L58-K60 PolarHBondContact O-N 3.25Å; K60-L64 WeakPolarHBondContact O-CB 3.21Å; K60-L64 WeakPolarHBondContact O-CD1 3.36Å; K60-L64 VanDerWaalsContact O-CG 3.26Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.06Å
61E54.5Low47.1Very low118 Ų118131.4 Ų131.455%0.55165%0.652SS**Hα-helixtrans-68.6-37.6171.2-71.3172149.700111.2P57 L58 L64 A65P57-E61 PolarHBondContact O-N 2.85Å; L58-E61 PolarHBondContact O-N 2.88Å; E61-L64 PolarHBondContact O-N 3.47Å; E61-A65 VanDerWaalsContact O-CB 3.26Å; E61-A65 WeakPolarHBondContact O-CB 3.39Å; E61-A65 PolarHBondContact O-N 2.85Å
62E53.2Low47.6Very low117 Ų117130.7 Ų130.755%0.54764%0.643SS.*Hα-helixtrans-65.4-46.1170.6-75.4-177.4167.200111.5L58 L64 A65 W66L58-E62 WeakPolarHBondContact O-CB 3.28Å; L58-E62 WeakPolarHBondContact O-CG 3.41Å; L58-E62 PolarHBondContact O-N 2.98Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.94Å; E62-A65 CarbonylContact O-C 3.59Å; E62-A65 PolarHBondContact O-N 3.45Å; E62-A65 VanDerWaalsContact O-N 3.09Å; E62-W66 VanDerWaalsContact O-CD1 3.25Å; E62-W66 PolarHBondContact O-N 2.9Å
63F48.4Very low48.3Very low138 Ų138126.7 Ų126.761%0.60564%0.635SS**Hα-helixtrans-60.1-38.6176.9-170.9-90.4000112.4E59 Q67E59-F63 VanDerWaalsContact O-CB 3.29Å; E59-F63 WeakPolarHBondContact O-CB 3.38Å; E59-F63 PolarHBondContact O-N 2.85Å; F63-Q67 PolarHBondContact O-N 2.87Å; F63-Q67 VanDerWaalsContact O-N 3.16Å
64L54.6Low48.5Very low90 Ų90123.9 Ų123.947%0.47163%0.626SS.*Hα-helixtrans-71.5-36.2173.3-71.6167.6000112.3K60 E61 E62 Q67 Q68K60-L64 WeakPolarHBondContact O-CB 3.21Å; K60-L64 WeakPolarHBondContact O-CD1 3.36Å; K60-L64 VanDerWaalsContact O-CG 3.26Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.06Å; E61-L64 PolarHBondContact O-N 3.47Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.94Å; L64-Q67 PolarHBondContact O-N 2.85Å; L64-Q68 VanDerWaalsContact O-CB 3.26Å; L64-Q68 WeakPolarHBondContact O-CB 3.45Å; L64-Q68 PolarHBondContact O-N 3.19Å
65A52.8Low48.6Very low42 Ų42124.8 Ų124.835%0.34763%0.625SS.*Hα-helixtrans-65.2-39.817400000111.9E61 E62 Q68 D69E61-A65 VanDerWaalsContact O-CB 3.26Å; E61-A65 WeakPolarHBondContact O-CB 3.39Å; E61-A65 PolarHBondContact O-N 2.85Å; E62-A65 CarbonylContact O-C 3.59Å; E62-A65 PolarHBondContact O-N 3.45Å; E62-A65 VanDerWaalsContact O-N 3.09Å; A65-Q68 CarbonylContact O-C 3.56Å; A65-Q68 PolarHBondContact O-N 3.33Å; A65-D69 WeakPolarHBondContact O-CB 3.43Å; A65-D69 PolarHBondContact O-N 2.64Å
66W54.2Low48.9Very low198 Ų198119.9 Ų119.975%0.7561%0.61SS**Hα-helixtrans-66-35.1173.5-84.677.1000112.7E62 L70E62-W66 VanDerWaalsContact O-CD1 3.25Å; E62-W66 PolarHBondContact O-N 2.9Å; W66-L70 WeakPolarHBondContact O-CG 3.36Å; W66-L70 PolarHBondContact O-N 2.83Å
67Q50.5Low49.3Very low103 Ų103121.7 Ų121.748%0.48162%0.615SS.*Hα-helixtrans-67-41.9169.1-75.1-170.2-56.400111.5F63 L64 L70 E71F63-Q67 PolarHBondContact O-N 2.87Å; F63-Q67 VanDerWaalsContact O-N 3.16Å; L64-Q67 PolarHBondContact O-N 2.85Å; Q67-L70 PolarHBondContact O-N 3.02Å; Q67-E71 PolarHBondContact O-N 3.04Å; Q67-E71 VanDerWaalsContact O-N 3.15Å
68Q43.7Very low49.9Very low136 Ų136123.6 Ų123.664%0.63663%0.626SS**Hα-helixtrans-73.5-29.3-176.7-165.8150.542.600112.8L64 A65 L70 E71 V72L64-Q68 VanDerWaalsContact O-CB 3.26Å; L64-Q68 WeakPolarHBondContact O-CB 3.45Å; L64-Q68 PolarHBondContact O-N 3.19Å; A65-Q68 CarbonylContact O-C 3.56Å; A65-Q68 PolarHBondContact O-N 3.33Å; Q68-L70 VanDerWaalsContact C-N 3.34Å; Q68-E71 CarbonylContact O-C 3.46Å; Q68-E71 WeakPolarHBondContact O-CA 3.48Å; Q68-E71 PolarHBondContact O-N 2.84Å; Q68-E71 VanDerWaalsContact O-N 3.1Å; Q68-V72 PolarHBondContact O-N 2.85Å
69D43.3Very low51.1Low120 Ų120124 Ų12464%0.64263%0.625SS**Hα-helixtrans-70.1-28.1171.4-81.6-14000112.3A65 E71A65-D69 WeakPolarHBondContact O-CB 3.43Å; A65-D69 PolarHBondContact O-N 2.64Å; D69-E71 VanDerWaalsContact C-N 3.32Å
70L48.7Very low52.7Low155 Ų155119.2 Ų119.281%0.81261%0.611SS**Hα-helixtrans-76.6-19.7167.6-70.6169.9000112.8W66 Q67 Q68W66-L70 WeakPolarHBondContact O-CG 3.36Å; W66-L70 PolarHBondContact O-N 2.83Å; Q67-L70 PolarHBondContact O-N 3.02Å; Q68-L70 VanDerWaalsContact C-N 3.34Å
71E47.4Very low54.5Low161 Ų161114.3 Ų114.375%0.75259%0.589SS**THydrogen-bonded Turntrans-102.612174.4-66.3-172.1171.200113.1Q67 Q68 D69 S73Q67-E71 PolarHBondContact O-N 3.04Å; Q67-E71 VanDerWaalsContact O-N 3.15Å; Q68-E71 CarbonylContact O-C 3.46Å; Q68-E71 WeakPolarHBondContact O-CA 3.48Å; Q68-E71 PolarHBondContact O-N 2.84Å; Q68-E71 VanDerWaalsContact O-N 3.1Å; D69-E71 VanDerWaalsContact C-N 3.32Å; E71-S73 PolarHBondContact O-N 2.81Å
72V42.6Very low56.4Low94 Ų94112.3 Ų112.357%0.5759%0.586SS**SBendtrans-63103171.9164.50000108.5Q68 D74Q68-V72 PolarHBondContact O-N 2.85Å; V72-D74 VanDerWaalsContact C-N 3.25Å; V72-D74 PolarHBondContact O-N 2.66Å
73S47.8Very low58.5Low97 Ų97107.1 Ų107.168%0.67856%0.562SS**  trans-5.771.7165.2173.30000115.2E71 K75E71-S73 PolarHBondContact O-N 2.81Å; S73-K75 VanDerWaalsContact C-N 3.25Å; S73-K75 PolarHBondContact O-N 2.9Å
74D42.8Very low60.8Low129 Ų129104.8 Ų104.869%0.6956%0.559SS**  trans-75.690.3172.4-133.7-0.9000106.6V72 T76V72-D74 VanDerWaalsContact C-N 3.25Å; V72-D74 PolarHBondContact O-N 2.66Å; D74-T76 HydrophobicContact CB-CG2 4.29Å; D74-T76 VanDerWaalsContact CG-CG2 3.47Å; D74-T76 PolarHBondContact O-N 2.92Å; D74-T76 PolarHBondContact O-OG1 2.8Å; D74-T76 VanDerWaalsContact OD2-CG2 3.22Å; D74-T76 WeakPolarHBondContact OD2-CG2 3.44Å
75K43.7Very low62.8Low194 Ų194100.7 Ų100.784%0.84354%0.537SS*.  trans-69.554150.8-68.9-176.4-179.5176.60108S73S73-K75 VanDerWaalsContact C-N 3.25Å; S73-K75 PolarHBondContact O-N 2.9Å
76T46Very low64.9Low74 Ų74105.1 Ų105.145%0.45455%0.545SS..  trans-55.5134163.822.70000106.6D74 T78D74-T76 HydrophobicContact CB-CG2 4.29Å; D74-T76 VanDerWaalsContact CG-CG2 3.47Å; D74-T76 PolarHBondContact O-N 2.92Å; D74-T76 PolarHBondContact O-OG1 2.8Å; D74-T76 VanDerWaalsContact OD2-CG2 3.22Å; D74-T76 WeakPolarHBondContact OD2-CG2 3.44Å; T76-T78 PolarHBondContact O-N 3.42Å
77P54.2Low66.9Low118 Ų11896.8 Ų96.877%0.76651%0.514SS*.  trans-55.8127.5165.926-32.6000106.6Q79P77-Q79 WeakPolarHBondContact O-CA 3.3Å; P77-Q79 PolarHBondContact O-N 3.39Å
78T61.7Low69Low96 Ų9695.1 Ų95.159%0.58951%0.511SS*.  trans-45.6104.6-169.4-44.10000109.8T76 A80 P122T76-T78 PolarHBondContact O-N 3.42Å; T78-A80 PolarHBondContact O-N 2.98Å; T78-P122 HydrophobicContact CG2-CB 3.54Å
79Q77.8Confident71.2Confident120 Ų12089.9 Ų89.956%0.56149%0.493SS*.  trans-64.8117.1-160.6-169.8-178.921.400108P77 R81P77-Q79 WeakPolarHBondContact O-CA 3.3Å; P77-Q79 PolarHBondContact O-N 3.39Å; Q79-R81 WeakPolarHBondContact O-CG 3.36Å; Q79-R81 PolarHBondContact O-N 3.4Å
80A86.5Confident73.5Confident53 Ų5387.1 Ų87.144%0.43849%0.493SS..  trans-71.6130.3176.300000108.1T78 D120 L121T78-A80 PolarHBondContact O-N 2.98Å; A80-D120 HydrophobicContact CB-CB 3.73Å; A80-L121 WeakPolarHBondContact CA-O 3.4Å
81R89.4Confident75.4Confident48 Ų4880.6 Ų80.618%0.18146%0.463CS..EExtended strand (participates in β ladder)trans-128.8145.6-173.4-60.4-179.9179.4-161-4.2111Q79 T83 D120 L121 E123 K160 F163Q79-R81 WeakPolarHBondContact O-CG 3.36Å; Q79-R81 PolarHBondContact O-N 3.4Å; R81-T83 PolarHBondContact O-N 3.4Å; R81-T83 VanDerWaalsContact O-N 3.12Å; R81-T83 PolarHBondContact O-OG1 2.97Å; R81-D120 WeakPolarHBondContact O-CA 3.48Å; R81-L121 PolarHBondContact N-O 2.85Å; R81-L121 PolarHBondContact O-N 3.16Å; R81-E123 IonicContact CZ-OE1 3.91Å; R81-E123 IonicContact NH2-OE1 3.88Å; R81-K160 PolarHBondContact NH1-O 3.06Å; R81-F163 HydrophobicContact CB-CD1 3.79Å; R81-F163 HydrophobicContact CB-CD2 4.35Å; R81-F163 HydrophobicContact CB-CE1 3.3Å; R81-F163 HydrophobicContact CB-CE2 3.9Å; R81-F163 HydrophobicContact CB-CG 4.29Å; R81-F163 HydrophobicContact CB-CZ 3.34Å; R81-F163 VanDerWaalsContact CD-CE2 3.46Å; R81-F163 HydrophobicContact CG-CD1 4.42Å; R81-F163 HydrophobicContact CG-CD2 4.49Å; R81-F163 HydrophobicContact CG-CE1 4.32Å; R81-F163 HydrophobicContact CG-CE2 4.34Å; R81-F163 HydrophobicContact CG-CZ 4.26Å; R81-F163 VanDerWaalsContact NH1-CD2 3.27Å
82P95.8Very high77.5Confident75 Ų7581 Ų8149%0.48746%0.462SS..EExtended strand (participates in β ladder)trans-67.2113-167.124.5-35000112I118 D120P82-I118 HydrophobicContact CB-CG2 3.82Å; P82-D120 WeakPolarHBondContact CA-OD1 3.42Å; P82-D120 WeakPolarHBondContact CB-OD1 3.36Å
83T96.4Very high80Confident9 Ų982.3 Ų82.36%0.05546%0.462CS..EExtended strand (participates in β ladder)trans-110.3128.4179.5-55.70000109.7R81 F85 I118 L119 L121 I156 V158R81-T83 PolarHBondContact O-N 3.4Å; R81-T83 VanDerWaalsContact O-N 3.12Å; R81-T83 PolarHBondContact O-OG1 2.97Å; T83-F85 HydrophobicContact CG2-CE2 3.9Å; T83-F85 HydrophobicContact CG2-CZ 4.11Å; T83-I118 WeakPolarHBondContact O-CA 3.25Å; T83-L119 WeakPolarHBondContact CB-O 3.06Å; T83-L119 PolarHBondContact N-O 2.84Å; T83-L119 PolarHBondContact O-N 3.05Å; T83-L121 HydrophobicContact CG2-CD1 4.18Å; T83-I156 HydrophobicContact CG2-CD1 3.69Å; T83-V158 HydrophobicContact CG2-CG2 4.3Å
84V96.5Very high82.3Confident89 Ų8977.9 Ų77.954%0.53943%0.431SS..EExtended strand (participates in β ladder)trans-92.3118.5-176.1-174.60000110.5V116 I118V84-V116 HydrophobicContact CG1-CG1 4Å; V84-I118 HydrophobicContact CG2-CG1 4.27Å
85F97.1Very high84.9Confident3 Ų374.8 Ų74.81%0.01341%0.41CS..EExtended strand (participates in β ladder)trans-101.4122.5168.5-67.8-86.1000109.4T83 L96 F100 V116 A117 L119 L121 Y128 I156T83-F85 HydrophobicContact CG2-CE2 3.9Å; T83-F85 HydrophobicContact CG2-CZ 4.11Å; F85-L96 HydrophobicContact CB-CD2 3.59Å; F85-L96 HydrophobicContact CD1-CD1 4.06Å; F85-L96 HydrophobicContact CD1-CD2 3.93Å; F85-L96 HydrophobicContact CD2-CD2 3.7Å; F85-L96 HydrophobicContact CE2-CD2 4.39Å; F85-L96 HydrophobicContact CG-CD1 4.36Å; F85-L96 HydrophobicContact CG-CD2 3.44Å; F85-L96 VanDerWaalsContact CG-CD2 3.44Å; F85-F100 HydrophobicContact CE1-CE1 4.4Å; F85-F100 HydrophobicContact CE2-CE1 4.34Å; F85-F100 HydrophobicContact CE2-CZ 4.34Å; F85-F100 AromaticContact CZ-CE1 3.83Å; F85-F100 HydrophobicContact CZ-CE1 3.83Å; F85-F100 HydrophobicContact CZ-CZ 4.17Å; F85-V116 VanDerWaalsContact O-CA 3.32Å; F85-V116 WeakPolarHBondContact O-CA 3.36Å; F85-A117 PolarHBondContact N-O 2.92Å; F85-A117 PolarHBondContact O-N 3.46Å; F85-L119 HydrophobicContact CD2-CB 4.49Å; F85-L119 HydrophobicContact CD2-CD1 4.18Å; F85-L119 HydrophobicContact CD2-CG 4.44Å; F85-L119 HydrophobicContact CE2-CB 4.37Å; F85-L119 HydrophobicContact CE2-CD1 4.27Å; F85-L121 HydrophobicContact CE2-CD1 3.71Å; F85-L121 HydrophobicContact CE2-CG 4.45Å; F85-L121 HydrophobicContact CZ-CD1 3.62Å; F85-Y128 HydrophobicContact CD1-CD1 4.41Å; F85-Y128 AromaticContact CD1-CD2 3.81Å; F85-Y128 HydrophobicContact CD1-CD2 3.81Å; F85-Y128 HydrophobicContact CD1-CE1 4.45Å; F85-Y128 AromaticContact CD1-CE2 3.85Å; F85-Y128 HydrophobicContact CD1-CE2 3.85Å; F85-Y128 HydrophobicContact CD1-CG 4.09Å; F85-Y128 AromaticContact CE1-CD1 3.67Å; F85-Y128 HydrophobicContact CE1-CD1 3.67Å; F85-Y128 AromaticContact CE1-CD2 3.86Å; F85-Y128 HydrophobicContact CE1-CD2 3.86Å; F85-Y128 AromaticContact CE1-CE1 3.9Å; F85-Y128 HydrophobicContact CE1-CE1 3.9Å; F85-Y128 HydrophobicContact CE1-CE2 4.07Å; F85-Y128 AromaticContact CE1-CG 3.64Å; F85-Y128 HydrophobicContact CE1-CG 3.64Å; F85-I156 HydrophobicContact CE1-CG2 4.11Å; F85-I156 HydrophobicContact CZ-CG2 4.08Å
86R96.4Very high87.5Confident136 Ų13665.5 Ų65.551%0.51337%0.37SS..EExtended strand (participates in β ladder)trans-127.2130-179.4178.9174.462.4136.1-1110.1T88 N114 F115 V116R86-T88 HydrophobicContact CG-CG2 4.13Å; R86-N114 HydrophobicContact CG-CB 4.26Å; R86-F115 CarbonylContact C-O 3.56Å; R86-F115 WeakPolarHBondContact CA-O 3.37Å; R86-V116 HydrophobicContact CB-CG2 4.41Å; R86-V116 HydrophobicContact CG-CG2 4.17Å
87W96.4Very high90Very high23 Ų2362 Ų629%0.08735%0.348CS..EExtended strand (participates in β ladder)trans-106.4120.9167176.7-106.1000108.7G89 G90 V94 L108 N114 F115 F130 V132 T137 D139W87-G89 PolarHBondContact NE1-O 2.81Å; W87-G90 PolarHBondContact NE1-O 3.38Å; W87-G90 VanDerWaalsContact NE1-O 3.08Å; W87-V94 HydrophobicContact CB-CG1 4.34Å; W87-V94 HydrophobicContact CG-CG1 4.19Å; W87-L108 HydrophobicContact CB-CD1 4.18Å; W87-N114 WeakPolarHBondContact O-CA 3.23Å; W87-F115 HydrophobicContact CB-CB 4.25Å; W87-F115 PolarHBondContact N-O 2.91Å; W87-F115 PolarHBondContact O-N 2.97Å; W87-F130 HydrophobicContact CB-CD1 4.18Å; W87-F130 HydrophobicContact CB-CE1 3.98Å; W87-F130 HydrophobicContact CB-CZ 4.26Å; W87-F130 HydrophobicContact CD2-CD2 4.39Å; W87-F130 HydrophobicContact CD2-CG 4.34Å; W87-F130 HydrophobicContact CE3-CB 4.26Å; W87-F130 HydrophobicContact CE3-CD1 4.43Å; W87-F130 AromaticContact CE3-CD2 3.45Å; W87-F130 HydrophobicContact CE3-CD2 3.45Å; W87-F130 VanDerWaalsContact CE3-CD2 3.45Å; W87-F130 AromaticContact CE3-CE2 3.79Å; W87-F130 HydrophobicContact CE3-CE2 3.79Å; W87-F130 AromaticContact CE3-CG 3.8Å; W87-F130 HydrophobicContact CE3-CG 3.8Å; W87-F130 HydrophobicContact CE3-CZ 4.42Å; W87-F130 AromaticContact CZ3-CD2 3.85Å; W87-F130 HydrophobicContact CZ3-CD2 3.85Å; W87-F130 HydrophobicContact CZ3-CE2 4.42Å; W87-F130 HydrophobicContact CZ3-CG 4.37Å; W87-V132 HydrophobicContact CD2-CG2 4.36Å; W87-V132 HydrophobicContact CZ2-CG2 3.9Å; W87-T137 HydrophobicContact CH2-CG2 3.45Å; W87-T137 VanDerWaalsContact CH2-CG2 3.45Å; W87-T137 HydrophobicContact CZ2-CG2 3.84Å; W87-T137 HydrophobicContact CZ3-CG2 3.99Å; W87-D139 HydrophobicContact CE3-CB 4.4Å; W87-D139 HydrophobicContact CZ3-CB 4.21Å
88T94.6Very high92Very high68 Ų6856.4 Ų56.442%0.41731%0.312SS..  trans-96.4-8.7-179.161.30000113.1R86R86-T88 HydrophobicContact CG-CG2 4.13Å
89G90.9Very high93.5Very high26 Ų2654.7 Ų54.727%0.26830%0.301SS..SBendtrans-75.9171.4177.500000113.7W87W87-G89 PolarHBondContact NE1-O 2.81Å
90G90.1Very high94.3Very high61 Ų6151.4 Ų51.463%0.62929%0.285SS*.  trans-66.6168.3171.800000113.3W87 V132W87-G90 PolarHBondContact NE1-O 3.38Å; W87-G90 VanDerWaalsContact NE1-O 3.08Å; G90-V132 WeakPolarHBondContact O-CG1 3.49Å
91G90Very high94.7Very high18 Ų1849.9 Ų49.919%0.18627%0.27CS..  trans162.5163.9174.500000112.3R110 F115 D133G91-R110 PolarHBondContact O-NH1 3.35Å; G91-F115 WeakPolarHBondContact O-CZ 3.25Å; G91-D133 WeakPolarHBondContact CA-OD2 3.44Å
92K91.1Very high94.9Very high170 Ų17054.9 Ų54.974%0.73930%0.3SS*.SBendtrans-99.4-52.1161.6-64178-178.61750110D133K92-D133 WeakPolarHBondContact CA-OD1 3.48Å; K92-D133 WeakPolarHBondContact CB-OD1 3.33Å; K92-D133 VanDerWaalsContact N-CG 3.32Å; K92-D133 PolarHBondContact N-OD1 3.22Å; K92-D133 PolarHBondContact N-OD2 3.12Å; K92-D133 VanDerWaalsContact N-OD2 3.07Å
93E93.7Very high94.9Very high121 Ų12156.2 Ų56.257%0.56530%0.295SS*.SBendtrans-121.4120.8-179.9-61.5-175.3134.700109.3Y95 D133E93-Y95 HydrophobicContact CB-CE2 3.95Å; E93-D133 PolarHBondContact N-OD1 2.97Å; E93-D133 PolarHBondContact O-N 2.81Å
94V97.3Very high94.9Very high5 Ų558.8 Ų58.83%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-125.1128.9179.3-173.80000109.2W87 L108 F115 F130 F131 V132W87-V94 HydrophobicContact CB-CG1 4.34Å; W87-V94 HydrophobicContact CG-CG1 4.19Å; V94-L108 HydrophobicContact CB-CB 4.47Å; V94-L108 HydrophobicContact CB-CD1 4.26Å; V94-L108 HydrophobicContact CG1-CD1 3.57Å; V94-L108 HydrophobicContact CG1-CG 4.17Å; V94-L108 PolarHBondContact O-N 2.9Å; V94-F115 HydrophobicContact CB-CB 4.23Å; V94-F115 HydrophobicContact CB-CD1 3.79Å; V94-F115 HydrophobicContact CB-CD2 4.48Å; V94-F115 HydrophobicContact CB-CE1 4.18Å; V94-F115 HydrophobicContact CB-CG 3.94Å; V94-F115 HydrophobicContact CG2-CB 4.42Å; V94-F115 HydrophobicContact CG2-CD1 3.7Å; V94-F115 HydrophobicContact CG2-CD2 3.77Å; V94-F115 HydrophobicContact CG2-CE1 3.72Å; V94-F115 HydrophobicContact CG2-CE2 3.8Å; V94-F115 HydrophobicContact CG2-CG 3.72Å; V94-F115 HydrophobicContact CG2-CZ 3.77Å; V94-F130 HydrophobicContact CG1-CD1 4.24Å; V94-F131 WeakPolarHBondContact CA-O 3.43Å; V94-V132 HydrophobicContact CG1-CG2 3.87Å; V94-V132 HydrophobicContact CG2-CG1 4.26Å; V94-V132 HydrophobicContact CG2-CG2 4.09Å
95Y97.8Very high94.9Very high63 Ų6359.4 Ų59.425%0.24731%0.309CS..EExtended strand (participates in β ladder)trans-121.6154.3175.1-53.2-101.4000110.6E93 K105 I106 P107 F130 F131E93-Y95 HydrophobicContact CB-CE2 3.95Å; Y95-K105 HydrophobicContact CD1-CB 3.95Å; Y95-K105 HydrophobicContact CG-CB 4.19Å; Y95-K105 HydrophobicContact CG-CD 4.45Å; Y95-I106 CarbonylContact C-O 3.6Å; Y95-I106 WeakPolarHBondContact CA-O 3.42Å; Y95-I106 WeakPolarHBondContact CB-O 3.41Å; Y95-P107 HydrophobicContact CD1-CB 3.94Å; Y95-P107 HydrophobicContact CE1-CB 3.91Å; Y95-F130 CarbonylContact O-C 3.47Å; Y95-F130 WeakPolarHBondContact O-CA 3.37Å; Y95-F131 AromaticContact CD2-CD1 3.94Å; Y95-F131 HydrophobicContact CD2-CD1 3.94Å; Y95-F131 PolarHBondContact N-O 2.65Å; Y95-F131 PolarHBondContact O-N 3.3Å
96L97.9Very high94.9Very high0 Ų061.3 Ų61.30%032%0.319CS..EExtended strand (participates in β ladder)trans-113.9138.1174.8176.167.9000109.9F85 F100 I106 L108 L119 Y128 F130F85-L96 HydrophobicContact CB-CD2 3.59Å; F85-L96 HydrophobicContact CD1-CD1 4.06Å; F85-L96 HydrophobicContact CD1-CD2 3.93Å; F85-L96 HydrophobicContact CD2-CD2 3.7Å; F85-L96 HydrophobicContact CE2-CD2 4.39Å; F85-L96 HydrophobicContact CG-CD1 4.36Å; F85-L96 HydrophobicContact CG-CD2 3.44Å; F85-L96 VanDerWaalsContact CG-CD2 3.44Å; L96-F100 HydrophobicContact CD2-CZ 4.1Å; L96-F100 HydrophobicContact CG-CZ 4.19Å; L96-I106 PolarHBondContact N-O 3.46Å; L96-I106 PolarHBondContact O-N 3.3Å; L96-L108 HydrophobicContact CB-CD2 3.79Å; L96-L108 HydrophobicContact CB-CG 4.41Å; L96-L108 HydrophobicContact CD2-CD2 4.36Å; L96-L119 HydrophobicContact CD2-CD1 3.77Å; L96-Y128 HydrophobicContact CD1-CD2 3.7Å; L96-Y128 HydrophobicContact CD1-CG 4.26Å; L96-F130 HydrophobicContact CD1-CD1 4.19Å; L96-F130 HydrophobicContact CD1-CE1 3.92Å; L96-F130 HydrophobicContact CD1-CZ 4.43Å
97S97.4Very high94.9Very high0 Ų059 Ų590%032%0.322CS..EExtended strand (participates in β ladder)trans-139.4144.9174.8-630000109.7S104 Y128 K129S97-S104 WeakPolarHBondContact CA-O 3.22Å; S97-S104 VanDerWaalsContact CB-O 3.25Å; S97-S104 WeakPolarHBondContact CB-O 3.49Å; S97-S104 PolarHBondContact OG-O 2.95Å; S97-Y128 CarbonylContact O-C 3.06Å; S97-Y128 VanDerWaalsContact O-CA 3.25Å; S97-Y128 WeakPolarHBondContact O-CA 3.22Å; S97-K129 PolarHBondContact N-O 3.22Å; S97-K129 PolarHBondContact O-N 3.17Å
98G96.1Very high94.9Very high0 Ų058.7 Ų58.70%032%0.322CS..EExtended strand (participates in β ladder)trans-168.1-173.8-179.100000114.6F100 N101 N102 W103 Q127G98-F100 VanDerWaalsContact C-N 3.29Å; G98-F100 PolarHBondContact O-N 3.22Å; G98-N101 PolarHBondContact N-OD1 2.92Å; G98-N101 PolarHBondContact O-N 3.19Å; G98-N101 PolarHBondContact O-OD1 3.21Å; G98-N102 PolarHBondContact O-N 2.84Å; G98-W103 PolarHBondContact O-N 2.97Å; G98-Q127 CarbonylContact C-O 3.52Å; G98-Q127 WeakPolarHBondContact CA-O 3.33Å
99T95.2Very high95Very high60 Ų6060.7 Ų60.737%0.36833%0.334SS..G310 helixtrans-60.3-38.1179.844.90000112.5N101 W103 H126 Q127T99-N101 VanDerWaalsContact C-N 3.26Å; T99-N101 PolarHBondContact O-N 3.41Å; T99-W103 HydrophobicContact CG2-CZ2 4.3Å; T99-H126 WeakPolarHBondContact OG1-CA 3.32Å; T99-Q127 HydrophobicContact CG2-CB 3.96Å; T99-Q127 HydrophobicContact CG2-CG 4.47Å; T99-Q127 PolarHBondContact N-O 2.73Å; T99-Q127 PolarHBondContact OG1-N 2.6Å; T99-Q127 VanDerWaalsContact OG1-N 3.16Å; T99-Q127 PolarHBondContact OG1-O 2.98Å
100F94.4Very high95.1Very high52 Ų5266.4 Ų66.423%0.22835%0.348CS..G310 helixtrans-67.5-16.6-179.451.5-99.4000115.2F85 L96 G98 I106 L119 L121 H126F85-F100 HydrophobicContact CE1-CE1 4.4Å; F85-F100 HydrophobicContact CE2-CE1 4.34Å; F85-F100 HydrophobicContact CE2-CZ 4.34Å; F85-F100 AromaticContact CZ-CE1 3.83Å; F85-F100 HydrophobicContact CZ-CE1 3.83Å; F85-F100 HydrophobicContact CZ-CZ 4.17Å; L96-F100 HydrophobicContact CD2-CZ 4.1Å; L96-F100 HydrophobicContact CG-CZ 4.19Å; G98-F100 VanDerWaalsContact C-N 3.29Å; G98-F100 PolarHBondContact O-N 3.22Å; F100-I106 HydrophobicContact CE2-CD1 4.28Å; F100-L119 HydrophobicContact CD2-CD1 4.16Å; F100-L119 HydrophobicContact CE2-CD1 3.46Å; F100-L119 VanDerWaalsContact CE2-CD1 3.46Å; F100-L119 HydrophobicContact CZ-CD1 3.97Å; F100-L121 HydrophobicContact CB-CD2 3.45Å; F100-L121 VanDerWaalsContact CB-CD2 3.45Å; F100-L121 HydrophobicContact CD1-CD1 3.87Å; F100-L121 HydrophobicContact CD1-CD2 3.78Å; F100-L121 HydrophobicContact CD2-CD2 3.96Å; F100-L121 HydrophobicContact CE1-CD1 4.21Å; F100-L121 HydrophobicContact CG-CD1 4.41Å; F100-L121 HydrophobicContact CG-CD2 3.45Å; F100-L121 VanDerWaalsContact CG-CD2 3.45Å; F100-H126 HydrophobicContact CD1-CB 4.12Å
101N93.8Very high95Very high20 Ų2066.6 Ų66.611%0.10734%0.339CS..G310 helixtrans-126.322-178.577.5-6.9000113.8G98 T99 W103 S104 I106G98-N101 PolarHBondContact N-OD1 2.92Å; G98-N101 PolarHBondContact O-N 3.19Å; G98-N101 PolarHBondContact O-OD1 3.21Å; T99-N101 VanDerWaalsContact C-N 3.26Å; T99-N101 PolarHBondContact O-N 3.41Å; N101-W103 PolarHBondContact O-N 2.86Å; N101-W103 WeakPolarHBondContact OD1-CA 3.49Å; N101-W103 PolarHBondContact OD1-N 2.69Å; N101-S104 PolarHBondContact ND2-O 2.95Å; N101-S104 PolarHBondContact ND2-OG 2.8Å; N101-S104 WeakPolarHBondContact O-CB 3.32Å; N101-S104 PolarHBondContact O-N 3.08Å; N101-S104 VanDerWaalsContact O-N 3.08Å; N101-S104 PolarHBondContact O-OG 2.97Å; N101-S104 PolarHBondContact OD1-N 3.33Å; N101-S104 PolarHBondContact OD1-O 2.94Å; N101-I106 HydrophobicContact CB-CD1 4.15Å; N101-I106 WeakPolarHBondContact ND2-CD1 3.17Å; N101-I106 WeakPolarHBondContact ND2-CG1 3.43Å
102N94.7Very high94.8Very high153 Ų15373.9 Ų73.982%0.81837%0.368SS*.THydrogen-bonded Turntrans5237.1-175.7-61.5-49000113.2G98 S104G98-N102 PolarHBondContact O-N 2.84Å; N102-S104 PolarHBondContact O-N 3.37Å
103W94.8Very high94.7Very high104 Ų10472.1 Ų72.139%0.39437%0.366SS..THydrogen-bonded Turntrans58.923-177.4-6092.3000115.4G98 T99 N101 Q127 K129 N153G98-W103 PolarHBondContact O-N 2.97Å; T99-W103 HydrophobicContact CG2-CZ2 4.3Å; N101-W103 PolarHBondContact O-N 2.86Å; N101-W103 WeakPolarHBondContact OD1-CA 3.49Å; N101-W103 PolarHBondContact OD1-N 2.69Å; W103-Q127 HydrophobicContact CH2-CB 4.24Å; W103-Q127 HydrophobicContact CZ2-CB 4.22Å; W103-K129 HydrophobicContact CZ3-CB 3.95Å; W103-N153 HydrophobicContact CH2-CB 4.3Å; W103-N153 WeakPolarHBondContact CH2-ND2 3.35Å
104S96.4Very high94.7Very high63 Ų6368.6 Ų68.644%0.44135%0.352SS..  trans-71.2161.3168.962.60000111.8S97 N101 N102S97-S104 WeakPolarHBondContact CA-O 3.22Å; S97-S104 VanDerWaalsContact CB-O 3.25Å; S97-S104 WeakPolarHBondContact CB-O 3.49Å; S97-S104 PolarHBondContact OG-O 2.95Å; N101-S104 PolarHBondContact ND2-O 2.95Å; N101-S104 PolarHBondContact ND2-OG 2.8Å; N101-S104 WeakPolarHBondContact O-CB 3.32Å; N101-S104 PolarHBondContact O-N 3.08Å; N101-S104 VanDerWaalsContact O-N 3.08Å; N101-S104 PolarHBondContact O-OG 2.97Å; N101-S104 PolarHBondContact OD1-N 3.33Å; N101-S104 PolarHBondContact OD1-O 2.94Å; N102-S104 PolarHBondContact O-N 3.37Å
105K96.3Very high94.6Very high101 Ų10168.8 Ų68.844%0.43935%0.352SS..  trans-94.5112.7-177.3-67.4-174.4-177.6-175.80111.3Y95 F131Y95-K105 HydrophobicContact CD1-CB 3.95Å; Y95-K105 HydrophobicContact CG-CB 4.19Å; Y95-K105 HydrophobicContact CG-CD 4.45Å; K105-F131 HydrophobicContact CD-CD1 4.27Å; K105-F131 VanDerWaalsContact NZ-CD1 3.35Å
106I97.1Very high94.6Very high43 Ų4367.9 Ų67.922%0.22135%0.353CS..EExtended strand (participates in β ladder)trans-95.4121.3170.4-65.9168.5000108.2Y95 L96 F100 N101 L119Y95-I106 CarbonylContact C-O 3.6Å; Y95-I106 WeakPolarHBondContact CA-O 3.42Å; Y95-I106 WeakPolarHBondContact CB-O 3.41Å; L96-I106 PolarHBondContact N-O 3.46Å; L96-I106 PolarHBondContact O-N 3.3Å; F100-I106 HydrophobicContact CE2-CD1 4.28Å; N101-I106 HydrophobicContact CB-CD1 4.15Å; N101-I106 WeakPolarHBondContact ND2-CD1 3.17Å; N101-I106 WeakPolarHBondContact ND2-CG1 3.43Å; I106-L119 HydrophobicContact CD1-CD1 3.79Å; I106-L119 HydrophobicContact CD1-CD2 4.14Å
107P96.7Very high94.5Very high89 Ų8968.5 Ų68.558%0.57836%0.358SS*.EExtended strand (participates in β ladder)trans-68136175.828.6-33.7000110.7Y95Y95-P107 HydrophobicContact CD1-CB 3.94Å; Y95-P107 HydrophobicContact CE1-CB 3.91Å
108L96.9Very high94.4Very high15 Ų1573.8 Ų73.88%0.07939%0.385CS..PPolyproline II helixtrans-87.9141.9174.2-61.1-170.1000111.5W87 V94 L96 R110 F115 A117 F130W87-L108 HydrophobicContact CB-CD1 4.18Å; V94-L108 HydrophobicContact CB-CB 4.47Å; V94-L108 HydrophobicContact CB-CD1 4.26Å; V94-L108 HydrophobicContact CG1-CD1 3.57Å; V94-L108 HydrophobicContact CG1-CG 4.17Å; V94-L108 PolarHBondContact O-N 2.9Å; L96-L108 HydrophobicContact CB-CD2 3.79Å; L96-L108 HydrophobicContact CB-CG 4.41Å; L96-L108 HydrophobicContact CD2-CD2 4.36Å; L108-R110 PolarHBondContact O-N 3.19Å; L108-F115 HydrophobicContact CB-CB 3.78Å; L108-F115 HydrophobicContact CB-CD1 4.43Å; L108-F115 HydrophobicContact CD1-CB 3.78Å; L108-F115 HydrophobicContact CG-CB 4.46Å; L108-A117 HydrophobicContact CD2-CB 3.38Å; L108-F130 HydrophobicContact CD1-CD1 3.99Å; L108-F130 HydrophobicContact CD1-CE1 3.82Å
109T95.9Very high94.4Very high110 Ų11075.5 Ų75.568%0.67539%0.394SS*.EExtended strand (participates in β ladder)trans-76.2122.1174.7-60.50000109.8F115 V116T109-F115 WeakPolarHBondContact O-CA 3.04Å; T109-V116 PolarHBondContact N-O 2.88Å; T109-V116 PolarHBondContact O-N 2.94Å
110R94.1Very high94.4Very high147 Ų14777.5 Ų77.556%0.55540%0.403SS*.EExtended strand (participates in β ladder)trans-77.8121.1177.7-176.2172.6-178.9145.16.7111.4G91 L108 F115G91-R110 PolarHBondContact O-NH1 3.35Å; L108-R110 PolarHBondContact O-N 3.19Å; R110-F115 HydrophobicContact CB-CD1 3.76Å; R110-F115 HydrophobicContact CB-CE1 3.6Å; R110-F115 HydrophobicContact CB-CZ 4.28Å; R110-F115 HydrophobicContact CG-CD1 4.14Å; R110-F115 HydrophobicContact CG-CE1 3.71Å; R110-F115 HydrophobicContact CG-CE2 4.4Å; R110-F115 HydrophobicContact CG-CZ 3.86Å
111S88.3Confident94.4Very high64 Ų6475.3 Ų75.345%0.44839%0.393SS..  trans-96.6-170160.9-169.60000109.8N114S111-N114 WeakPolarHBondContact CA-O 3.44Å; S111-N114 WeakPolarHBondContact CB-O 3.31Å; S111-N114 PolarHBondContact N-O 3.22Å
112H85Confident94.5Very high171 Ų17176.5 Ų76.579%0.79240%0.402SS*.SBendtrans-54.8-58.5-176.8-6489.9000112.7
113N88.7Confident94.4Very high133 Ų13372.1 Ų72.171%0.71138%0.377SS*.SBendtrans-118.8-2.4-177.4-6911.2000113.8
114N93.4Very high94.4Very high48 Ų4868.4 Ų68.426%0.25737%0.37SS..  trans-130.2147.8-174.6-58.5-63.1000110.3R86 W87 S111 V116R86-N114 HydrophobicContact CG-CB 4.26Å; W87-N114 WeakPolarHBondContact O-CA 3.23Å; S111-N114 WeakPolarHBondContact CA-O 3.44Å; S111-N114 WeakPolarHBondContact CB-O 3.31Å; S111-N114 PolarHBondContact N-O 3.22Å; N114-V116 HydrophobicContact CB-CG2 4.26Å
115F96.4Very high94.4Very high8 Ų871.9 Ų71.94%0.03538%0.38CS..EExtended strand (participates in β ladder)trans-106.5134.1164.2-65.6-105.8000108.6R86 W87 G91 V94 L108 T109 R110R86-F115 CarbonylContact C-O 3.56Å; R86-F115 WeakPolarHBondContact CA-O 3.37Å; W87-F115 HydrophobicContact CB-CB 4.25Å; W87-F115 PolarHBondContact N-O 2.91Å; W87-F115 PolarHBondContact O-N 2.97Å; G91-F115 WeakPolarHBondContact O-CZ 3.25Å; V94-F115 HydrophobicContact CB-CB 4.23Å; V94-F115 HydrophobicContact CB-CD1 3.79Å; V94-F115 HydrophobicContact CB-CD2 4.48Å; V94-F115 HydrophobicContact CB-CE1 4.18Å; V94-F115 HydrophobicContact CB-CG 3.94Å; V94-F115 HydrophobicContact CG2-CB 4.42Å; V94-F115 HydrophobicContact CG2-CD1 3.7Å; V94-F115 HydrophobicContact CG2-CD2 3.77Å; V94-F115 HydrophobicContact CG2-CE1 3.72Å; V94-F115 HydrophobicContact CG2-CE2 3.8Å; V94-F115 HydrophobicContact CG2-CG 3.72Å; V94-F115 HydrophobicContact CG2-CZ 3.77Å; L108-F115 HydrophobicContact CB-CB 3.78Å; L108-F115 HydrophobicContact CB-CD1 4.43Å; L108-F115 HydrophobicContact CD1-CB 3.78Å; L108-F115 HydrophobicContact CG-CB 4.46Å; T109-F115 WeakPolarHBondContact O-CA 3.04Å; R110-F115 HydrophobicContact CB-CD1 3.76Å; R110-F115 HydrophobicContact CB-CE1 3.6Å; R110-F115 HydrophobicContact CB-CZ 4.28Å; R110-F115 HydrophobicContact CG-CD1 4.14Å; R110-F115 HydrophobicContact CG-CE1 3.71Å; R110-F115 HydrophobicContact CG-CE2 4.4Å; R110-F115 HydrophobicContact CG-CZ 3.86Å
116V96.6Very high94.3Very high44 Ų4467.9 Ų67.927%0.26736%0.363SS..EExtended strand (participates in β ladder)trans-136.3142.3-172.2-176.10000111.5V84 F85 R86 T109 N114V84-V116 HydrophobicContact CG1-CG1 4Å; F85-V116 VanDerWaalsContact O-CA 3.32Å; F85-V116 WeakPolarHBondContact O-CA 3.36Å; R86-V116 HydrophobicContact CB-CG2 4.41Å; R86-V116 HydrophobicContact CG-CG2 4.17Å; T109-V116 PolarHBondContact N-O 2.88Å; T109-V116 PolarHBondContact O-N 2.94Å; N114-V116 HydrophobicContact CB-CG2 4.26Å
117A96Very high94.3Very high13 Ų1368.2 Ų68.211%0.10736%0.363CS..EExtended strand (participates in β ladder)trans-132.7149158.300000109.6F85 L108F85-A117 PolarHBondContact N-O 2.92Å; F85-A117 PolarHBondContact O-N 3.46Å; L108-A117 HydrophobicContact CD2-CB 3.38Å
118I96.3Very high94.3Very high111 Ų11164.4 Ų64.457%0.56934%0.338SS*.EExtended strand (participates in β ladder)trans-115.1123.2170.3-54.2-179.5000105.6P82 T83 V84P82-I118 HydrophobicContact CB-CG2 3.82Å; T83-I118 WeakPolarHBondContact O-CA 3.25Å; V84-I118 HydrophobicContact CG2-CG1 4.27Å
119L95.8Very high94.4Very high37 Ų3765 Ų6519%0.19434%0.34CS..EExtended strand (participates in β ladder)trans-128.2131.3-177.2-62.3178.1000109T83 F85 L96 F100 I106 L121T83-L119 WeakPolarHBondContact CB-O 3.06Å; T83-L119 PolarHBondContact N-O 2.84Å; T83-L119 PolarHBondContact O-N 3.05Å; F85-L119 HydrophobicContact CD2-CB 4.49Å; F85-L119 HydrophobicContact CD2-CD1 4.18Å; F85-L119 HydrophobicContact CD2-CG 4.44Å; F85-L119 HydrophobicContact CE2-CB 4.37Å; F85-L119 HydrophobicContact CE2-CD1 4.27Å; L96-L119 HydrophobicContact CD2-CD1 3.77Å; F100-L119 HydrophobicContact CD2-CD1 4.16Å; F100-L119 HydrophobicContact CE2-CD1 3.46Å; F100-L119 VanDerWaalsContact CE2-CD1 3.46Å; F100-L119 HydrophobicContact CZ-CD1 3.97Å; I106-L119 HydrophobicContact CD1-CD1 3.79Å; I106-L119 HydrophobicContact CD1-CD2 4.14Å; L119-L121 HydrophobicContact CB-CD2 4.36Å; L119-L121 PolarHBondContact O-N 3.27Å
120D95.5Very high94.4Very high102 Ų10259.9 Ų59.955%0.54531%0.308SS..EExtended strand (participates in β ladder)trans-74.4113.6173.7-62.6-43.3000109.2A80 R81 P82A80-D120 HydrophobicContact CB-CB 3.73Å; R81-D120 WeakPolarHBondContact O-CA 3.48Å; P82-D120 WeakPolarHBondContact CA-OD1 3.42Å; P82-D120 WeakPolarHBondContact CB-OD1 3.36Å
121L94.9Very high94.6Very high5 Ų554.3 Ų54.33%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-115.5139.9-179.6-63-169.9000110.9A80 R81 T83 F85 F100 L119 H126 V158A80-L121 WeakPolarHBondContact CA-O 3.4Å; R81-L121 PolarHBondContact N-O 2.85Å; R81-L121 PolarHBondContact O-N 3.16Å; T83-L121 HydrophobicContact CG2-CD1 4.18Å; F85-L121 HydrophobicContact CE2-CD1 3.71Å; F85-L121 HydrophobicContact CE2-CG 4.45Å; F85-L121 HydrophobicContact CZ-CD1 3.62Å; F100-L121 HydrophobicContact CB-CD2 3.45Å; F100-L121 VanDerWaalsContact CB-CD2 3.45Å; F100-L121 HydrophobicContact CD1-CD1 3.87Å; F100-L121 HydrophobicContact CD1-CD2 3.78Å; F100-L121 HydrophobicContact CD2-CD2 3.96Å; F100-L121 HydrophobicContact CE1-CD1 4.21Å; F100-L121 HydrophobicContact CG-CD1 4.41Å; F100-L121 HydrophobicContact CG-CD2 3.45Å; F100-L121 VanDerWaalsContact CG-CD2 3.45Å; L119-L121 HydrophobicContact CB-CD2 4.36Å; L119-L121 PolarHBondContact O-N 3.27Å; L121-H126 HydrophobicContact CD1-CB 4.3Å; L121-V158 HydrophobicContact CB-CG2 4.39Å
122P94.1Very high95Very high46 Ų4652.2 Ų52.230%0.29927%0.272SS..  trans-66.7155.5170.229.9-34.2000110.4T78 H126T78-P122 HydrophobicContact CG2-CB 3.54Å; P122-H126 PolarHBondContact O-NE2 3.03Å
123E93.8Very high95.5Very high61 Ų6148 Ų4829%0.28526%0.255SS..SBendtrans-54.2139.9171.7-65.2169.7-146.500112R81 K160R81-E123 IonicContact CZ-OE1 3.91Å; R81-E123 IonicContact NH2-OE1 3.88Å; E123-K160 VanDerWaalsContact CD-CE 3.47Å; E123-K160 HydrophobicContact CG-CG 4.47Å; E123-K160 VanDerWaalsContact OE1-CE 3.25Å; E123-K160 WeakPolarHBondContact OE1-CE 3.21Å; E123-K160 VanDerWaalsContact OE1-CG 3.27Å; E123-K160 WeakPolarHBondContact OE1-CG 3.19Å; E123-K160 WeakPolarHBondContact OE2-CE 3.39Å; E123-K160 WeakPolarHBondContact OE2-CG 3.34Å
124G94.2Very high95.7Very high25 Ų2543.6 Ų43.626%0.25824%0.242SC..EExtended strand (participates in β ladder)trans136.4-174.1-17800000113.9Q157 V158G124-Q157 VanDerWaalsContact C-NE2 3.31Å; G124-Q157 PolarHBondContact O-NE2 3.45Å; G124-V158 PolarHBondContact N-O 3.14Å; G124-V158 PolarHBondContact O-N 3.24Å
125E95.8Very high95.8Very high136 Ų13648.2 Ų48.264%0.63626%0.261SS*.EExtended strand (participates in β ladder)trans-86131.1173.7-68.7-175.6169.800110.9I155 Q157E125-I155 HydrophobicContact CB-CD1 4.27Å; E125-I155 HydrophobicContact CG-CD1 4.3Å; E125-Q157 VanDerWaalsContact CG-OE1 3.23Å
126H96Very high95.8Very high17 Ų1753.6 Ų53.68%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-125.5128174.9-64.2-81.2000110.4T99 F100 L121 P122 I155 I156T99-H126 WeakPolarHBondContact OG1-CA 3.32Å; F100-H126 HydrophobicContact CD1-CB 4.12Å; L121-H126 HydrophobicContact CD1-CB 4.3Å; P122-H126 PolarHBondContact O-NE2 3.03Å; H126-I155 WeakPolarHBondContact O-CA 3.35Å; H126-I156 HydrophobicContact CB-CG2 3.95Å; H126-I156 PolarHBondContact N-O 3.1Å; H126-I156 PolarHBondContact O-N 2.89Å
127Q96.6Very high95.8Very high51 Ų5153.6 Ų53.624%0.23828%0.282CS..EExtended strand (participates in β ladder)trans-93.5140.2171.6-59.1-174.716.200109.8G98 T99 W103 V145 N153 N154G98-Q127 CarbonylContact C-O 3.52Å; G98-Q127 WeakPolarHBondContact CA-O 3.33Å; T99-Q127 HydrophobicContact CG2-CB 3.96Å; T99-Q127 HydrophobicContact CG2-CG 4.47Å; T99-Q127 PolarHBondContact N-O 2.73Å; T99-Q127 PolarHBondContact OG1-N 2.6Å; T99-Q127 VanDerWaalsContact OG1-N 3.16Å; T99-Q127 PolarHBondContact OG1-O 2.98Å; W103-Q127 HydrophobicContact CH2-CB 4.24Å; W103-Q127 HydrophobicContact CZ2-CB 4.22Å; Q127-V145 VanDerWaalsContact CD-CG1 3.5Å; Q127-V145 HydrophobicContact CG-CG1 3.79Å; Q127-N153 HydrophobicContact CB-CB 4.33Å; Q127-N153 PolarHBondContact OE1-ND2 3.49Å; Q127-N154 CarbonylContact C-O 3.47Å; Q127-N154 VanDerWaalsContact CA-O 3.31Å; Q127-N154 WeakPolarHBondContact CA-O 3.44Å
128Y97.2Very high95.7Very high9 Ų956 Ų564%0.03529%0.291CS..EExtended strand (participates in β ladder)trans-146.4164.1-179.669.1-81.1000112.4F85 L96 S97 F130 N154 I156F85-Y128 HydrophobicContact CD1-CD1 4.41Å; F85-Y128 AromaticContact CD1-CD2 3.81Å; F85-Y128 HydrophobicContact CD1-CD2 3.81Å; F85-Y128 HydrophobicContact CD1-CE1 4.45Å; F85-Y128 AromaticContact CD1-CE2 3.85Å; F85-Y128 HydrophobicContact CD1-CE2 3.85Å; F85-Y128 HydrophobicContact CD1-CG 4.09Å; F85-Y128 AromaticContact CE1-CD1 3.67Å; F85-Y128 HydrophobicContact CE1-CD1 3.67Å; F85-Y128 AromaticContact CE1-CD2 3.86Å; F85-Y128 HydrophobicContact CE1-CD2 3.86Å; F85-Y128 AromaticContact CE1-CE1 3.9Å; F85-Y128 HydrophobicContact CE1-CE1 3.9Å; F85-Y128 HydrophobicContact CE1-CE2 4.07Å; F85-Y128 AromaticContact CE1-CG 3.64Å; F85-Y128 HydrophobicContact CE1-CG 3.64Å; L96-Y128 HydrophobicContact CD1-CD2 3.7Å; L96-Y128 HydrophobicContact CD1-CG 4.26Å; S97-Y128 CarbonylContact O-C 3.06Å; S97-Y128 VanDerWaalsContact O-CA 3.25Å; S97-Y128 WeakPolarHBondContact O-CA 3.22Å; Y128-F130 HydrophobicContact CD2-CE2 4.19Å; Y128-F130 HydrophobicContact CD2-CZ 4.28Å; Y128-F130 AromaticContact CE2-CE2 3.7Å; Y128-F130 HydrophobicContact CE2-CE2 3.7Å; Y128-F130 AromaticContact CE2-CZ 3.88Å; Y128-F130 HydrophobicContact CE2-CZ 3.88Å; Y128-N154 HydrophobicContact CD1-CB 3.85Å; Y128-N154 HydrophobicContact CD2-CB 4.01Å; Y128-N154 HydrophobicContact CE1-CB 3.4Å; Y128-N154 HydrophobicContact CE2-CB 3.58Å; Y128-N154 HydrophobicContact CG-CB 4.15Å; Y128-N154 PolarHBondContact N-O 2.73Å; Y128-N154 PolarHBondContact O-N 3.46Å; Y128-I156 HydrophobicContact CD1-CG2 4.05Å; Y128-I156 HydrophobicContact CE1-CB 3.95Å; Y128-I156 HydrophobicContact CE1-CG2 3.95Å
129K97.1Very high95.7Very high28 Ų2851 Ų5112%0.12227%0.265CS..EExtended strand (participates in β ladder)trans-153.4149179-159.1167.9-168.41620111.1S97 W103 W136 T137 V152S97-K129 PolarHBondContact N-O 3.22Å; S97-K129 PolarHBondContact O-N 3.17Å; W103-K129 HydrophobicContact CZ3-CB 3.95Å; K129-W136 HydrophobicContact CB-CE3 4.15Å; K129-W136 HydrophobicContact CB-CZ3 4.18Å; K129-W136 HydrophobicContact CD-CB 4.41Å; K129-W136 HydrophobicContact CD-CE3 3.95Å; K129-W136 HydrophobicContact CG-CE3 3.9Å; K129-W136 HydrophobicContact CG-CZ3 4.42Å; K129-T137 WeakPolarHBondContact CG-O 3.43Å; K129-V152 WeakPolarHBondContact CE-O 3.41Å; K129-V152 PolarHBondContact NZ-O 3.21Å
130F97.7Very high95.7Very high1 Ų154.6 Ų54.60%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-96.4143176.6-62.5-76.7000111.1W87 V94 Y95 L96 L108 Y128 V132 T137 D139W87-F130 HydrophobicContact CB-CD1 4.18Å; W87-F130 HydrophobicContact CB-CE1 3.98Å; W87-F130 HydrophobicContact CB-CZ 4.26Å; W87-F130 HydrophobicContact CD2-CD2 4.39Å; W87-F130 HydrophobicContact CD2-CG 4.34Å; W87-F130 HydrophobicContact CE3-CB 4.26Å; W87-F130 HydrophobicContact CE3-CD1 4.43Å; W87-F130 AromaticContact CE3-CD2 3.45Å; W87-F130 HydrophobicContact CE3-CD2 3.45Å; W87-F130 VanDerWaalsContact CE3-CD2 3.45Å; W87-F130 AromaticContact CE3-CE2 3.79Å; W87-F130 HydrophobicContact CE3-CE2 3.79Å; W87-F130 AromaticContact CE3-CG 3.8Å; W87-F130 HydrophobicContact CE3-CG 3.8Å; W87-F130 HydrophobicContact CE3-CZ 4.42Å; W87-F130 AromaticContact CZ3-CD2 3.85Å; W87-F130 HydrophobicContact CZ3-CD2 3.85Å; W87-F130 HydrophobicContact CZ3-CE2 4.42Å; W87-F130 HydrophobicContact CZ3-CG 4.37Å; V94-F130 HydrophobicContact CG1-CD1 4.24Å; Y95-F130 CarbonylContact O-C 3.47Å; Y95-F130 WeakPolarHBondContact O-CA 3.37Å; L96-F130 HydrophobicContact CD1-CD1 4.19Å; L96-F130 HydrophobicContact CD1-CE1 3.92Å; L96-F130 HydrophobicContact CD1-CZ 4.43Å; L108-F130 HydrophobicContact CD1-CD1 3.99Å; L108-F130 HydrophobicContact CD1-CE1 3.82Å; Y128-F130 HydrophobicContact CD2-CE2 4.19Å; Y128-F130 HydrophobicContact CD2-CZ 4.28Å; Y128-F130 AromaticContact CE2-CE2 3.7Å; Y128-F130 HydrophobicContact CE2-CE2 3.7Å; Y128-F130 AromaticContact CE2-CZ 3.88Å; Y128-F130 HydrophobicContact CE2-CZ 3.88Å; F130-V132 HydrophobicContact CB-CG2 4.23Å; F130-T137 HydrophobicContact CB-CG2 4.05Å; F130-T137 PolarHBondContact N-O 3.34Å; F130-T137 PolarHBondContact O-N 2.93Å; F130-T137 VanDerWaalsContact O-O 3.04Å; F130-D139 HydrophobicContact CE2-CB 4.1Å
131F97.3Very high95.6Very high31 Ų3154 Ų5414%0.13629%0.294CS..EExtended strand (participates in β ladder)trans-116.3105.2170.4-174.3-95.4000108V94 Y95 K105 G134 Q135 W136V94-F131 WeakPolarHBondContact CA-O 3.43Å; Y95-F131 AromaticContact CD2-CD1 3.94Å; Y95-F131 HydrophobicContact CD2-CD1 3.94Å; Y95-F131 PolarHBondContact N-O 2.65Å; Y95-F131 PolarHBondContact O-N 3.3Å; K105-F131 HydrophobicContact CD-CD1 4.27Å; K105-F131 VanDerWaalsContact NZ-CD1 3.35Å; F131-G134 VanDerWaalsContact CE2-O 3.28Å; F131-G134 WeakPolarHBondContact CE2-O 3.47Å; F131-G134 VanDerWaalsContact CZ-O 3.28Å; F131-G134 WeakPolarHBondContact CZ-O 3.49Å; F131-Q135 CarbonylContact C-O 3.54Å; F131-Q135 WeakPolarHBondContact CA-O 3.48Å; F131-W136 HydrophobicContact CB-CD2 4.37Å; F131-W136 HydrophobicContact CB-CE3 3.94Å; F131-W136 HydrophobicContact CB-CH2 4.28Å; F131-W136 HydrophobicContact CB-CZ3 3.89Å; F131-W136 AromaticContact CD2-CD2 3.66Å; F131-W136 HydrophobicContact CD2-CD2 3.66Å; F131-W136 AromaticContact CD2-CE2 3.63Å; F131-W136 HydrophobicContact CD2-CE3 4.11Å; F131-W136 AromaticContact CD2-CG 3.94Å; F131-W136 HydrophobicContact CD2-CG 3.94Å; F131-W136 HydrophobicContact CD2-CZ2 4.09Å; F131-W136 AromaticContact CD2-NE1 3.84Å
132V96.9Very high95.7Very high19 Ų1957.7 Ų57.712%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-114.3122.3-171.9177.90000108.6W87 G90 V94 F130 G134 Q135 T137W87-V132 HydrophobicContact CD2-CG2 4.36Å; W87-V132 HydrophobicContact CZ2-CG2 3.9Å; G90-V132 WeakPolarHBondContact O-CG1 3.49Å; V94-V132 HydrophobicContact CG1-CG2 3.87Å; V94-V132 HydrophobicContact CG2-CG1 4.26Å; V94-V132 HydrophobicContact CG2-CG2 4.09Å; F130-V132 HydrophobicContact CB-CG2 4.23Å; V132-G134 PolarHBondContact O-N 2.88Å; V132-Q135 PolarHBondContact N-O 3.27Å; V132-Q135 PolarHBondContact O-N 2.82Å; V132-T137 HydrophobicContact CB-CG2 4.15Å; V132-T137 HydrophobicContact CG2-CG2 3.58Å
133D95Very high95.8Very high83 Ų8359.3 Ų59.344%0.44432%0.322SS..THydrogen-bonded Turntrans47.437.4174-65.5-12.7000114.4G91 K92 E93G91-D133 WeakPolarHBondContact CA-OD2 3.44Å; K92-D133 WeakPolarHBondContact CA-OD1 3.48Å; K92-D133 WeakPolarHBondContact CB-OD1 3.33Å; K92-D133 VanDerWaalsContact N-CG 3.32Å; K92-D133 PolarHBondContact N-OD1 3.22Å; K92-D133 PolarHBondContact N-OD2 3.12Å; K92-D133 VanDerWaalsContact N-OD2 3.07Å; E93-D133 PolarHBondContact N-OD1 2.97Å; E93-D133 PolarHBondContact O-N 2.81Å
134G94.3Very high95.9Very high41 Ų4159.9 Ų59.942%0.42333%0.33SS..THydrogen-bonded Turntrans95.2-5.7179.700000115.8F131 V132F131-G134 VanDerWaalsContact CE2-O 3.28Å; F131-G134 WeakPolarHBondContact CE2-O 3.47Å; F131-G134 VanDerWaalsContact CZ-O 3.28Å; F131-G134 WeakPolarHBondContact CZ-O 3.49Å; V132-G134 PolarHBondContact O-N 2.88Å
135Q95.5Very high96Very high144 Ų14460.9 Ų60.967%0.67333%0.33SS*.EExtended strand (participates in β ladder)trans-118.1142.8-174.8-63.8-59.7-31.300112.9F131 V132F131-Q135 CarbonylContact C-O 3.54Å; F131-Q135 WeakPolarHBondContact CA-O 3.48Å; V132-Q135 PolarHBondContact N-O 3.27Å; V132-Q135 PolarHBondContact O-N 2.82Å
136W95.6Very high96Very high121 Ų12158.8 Ų58.846%0.45833%0.327SS..EExtended strand (participates in β ladder)trans-82.8123.6174.6-75.6110000111.1K129 F131K129-W136 HydrophobicContact CB-CE3 4.15Å; K129-W136 HydrophobicContact CB-CZ3 4.18Å; K129-W136 HydrophobicContact CD-CB 4.41Å; K129-W136 HydrophobicContact CD-CE3 3.95Å; K129-W136 HydrophobicContact CG-CE3 3.9Å; K129-W136 HydrophobicContact CG-CZ3 4.42Å; F131-W136 HydrophobicContact CB-CD2 4.37Å; F131-W136 HydrophobicContact CB-CE3 3.94Å; F131-W136 HydrophobicContact CB-CH2 4.28Å; F131-W136 HydrophobicContact CB-CZ3 3.89Å; F131-W136 AromaticContact CD2-CD2 3.66Å; F131-W136 HydrophobicContact CD2-CD2 3.66Å; F131-W136 AromaticContact CD2-CE2 3.63Å; F131-W136 HydrophobicContact CD2-CE3 4.11Å; F131-W136 AromaticContact CD2-CG 3.94Å; F131-W136 HydrophobicContact CD2-CG 3.94Å; F131-W136 HydrophobicContact CD2-CZ2 4.09Å; F131-W136 AromaticContact CD2-NE1 3.84Å
137T95.7Very high95.6Very high44 Ų4459.8 Ų59.827%0.2734%0.336SS..EExtended strand (participates in β ladder)trans-139.1169.1-179.3-166.80000111.5W87 K129 F130 V132W87-T137 HydrophobicContact CH2-CG2 3.45Å; W87-T137 VanDerWaalsContact CH2-CG2 3.45Å; W87-T137 HydrophobicContact CZ2-CG2 3.84Å; W87-T137 HydrophobicContact CZ3-CG2 3.99Å; K129-T137 WeakPolarHBondContact CG-O 3.43Å; F130-T137 HydrophobicContact CB-CG2 4.05Å; F130-T137 PolarHBondContact N-O 3.34Å; F130-T137 PolarHBondContact O-N 2.93Å; F130-T137 VanDerWaalsContact O-O 3.04Å; V132-T137 HydrophobicContact CB-CG2 4.15Å; V132-T137 HydrophobicContact CG2-CG2 3.58Å
138H95.6Very high95Very high65 Ų6567 Ų6730%0.30137%0.37SS..  trans-129.9157.1177.568.6-84.1000108.8N154H138-N154 WeakPolarHBondContact CA-OD1 3.43Å; H138-N154 VanDerWaalsContact CB-OD1 3.3Å; H138-N154 WeakPolarHBondContact CB-OD1 3.46Å
139D95.8Very high94.5Very high5 Ų574 Ų743%0.02741%0.407CS..  trans-79.1122.1173.1-164.5-47.3000109W87 F130 S141 E142 N154W87-D139 HydrophobicContact CE3-CB 4.4Å; W87-D139 HydrophobicContact CZ3-CB 4.21Å; F130-D139 HydrophobicContact CE2-CB 4.1Å; D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 3.07Å; D139-S141 WeakPolarHBondContact OD1-CB 3.21Å; D139-S141 PolarHBondContact OD1-N 3.29Å; D139-S141 PolarHBondContact OD1-OG 3.35Å; D139-E142 HydrophobicContact CB-CB 4.28Å; D139-E142 HydrophobicContact CB-CG 4.16Å; D139-N154 PolarHBondContact N-OD1 2.92Å; D139-N154 PolarHBondContact O-ND2 3.43Å
140P94.6Very high94.1Very high113 Ų11375.3 Ų75.373%0.73443%0.428SS*.THydrogen-bonded Turntrans-76.8-9.8-179.232.9-37.4000113.9
141S94.8Very high93.8Very high88 Ų8878.2 Ų78.262%0.61545%0.447SS*.THydrogen-bonded Turntrans-87.1-17.5174.966.40000113.4D139D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 3.07Å; D139-S141 WeakPolarHBondContact OD1-CB 3.21Å; D139-S141 PolarHBondContact OD1-N 3.29Å; D139-S141 PolarHBondContact OD1-OG 3.35Å
142E96.1Very high93.7Very high83 Ų8379 Ų7939%0.38845%0.454SS..SBendtrans-100.8152-178.4-65.1-62.1153.100111.8D139 N154D139-E142 HydrophobicContact CB-CB 4.28Å; D139-E142 HydrophobicContact CB-CG 4.16Å; E142-N154 PolarHBondContact O-ND2 3.33Å
143P96.1Very high93.7Very high80 Ų8078.4 Ų78.452%0.51945%0.45SS..  trans-55.4147.4177.1-25.735.4000113.3N154 I155P143-N154 CarbonylContact O-C 3.57Å; P143-N154 VanDerWaalsContact O-CA 3.23Å; P143-N154 WeakPolarHBondContact O-CA 3.45Å; P143-N154 PolarHBondContact O-ND2 2.91Å; P143-I155 HydrophobicContact CB-CG2 3.9Å; P143-I155 PolarHBondContact O-N 3.33Å
144V96.8Very high93.8Very high74 Ų7474.5 Ų74.545%0.44843%0.429SS..EExtended strand (participates in β ladder)trans-126.8151179.3-67.10000112.8V152 N153 N154V144-V152 HydrophobicContact CB-CG1 3.9Å; V144-V152 HydrophobicContact CG1-CG1 4.1Å; V144-V152 HydrophobicContact CG2-CG1 4.35Å; V144-N153 CarbonylContact C-O 3.26Å; V144-N153 VanDerWaalsContact CA-O 3.22Å; V144-N153 WeakPolarHBondContact CA-O 3.39Å; V144-N153 WeakPolarHBondContact CB-O 3.27Å; V144-N154 WeakPolarHBondContact CG1-ND2 3.47Å
145V96.3Very high93.9Very high45 Ų4574.1 Ų74.127%0.27342%0.417SS..EExtended strand (participates in β ladder)trans-131.5140.5172.665.40000109.8Q127 N153 I155Q127-V145 VanDerWaalsContact CD-CG1 3.5Å; Q127-V145 HydrophobicContact CG-CG1 3.79Å; V145-N153 PolarHBondContact N-O 3.26Å; V145-N153 PolarHBondContact O-N 3.21Å; V145-I155 HydrophobicContact CB-CB 4.45Å; V145-I155 HydrophobicContact CB-CG2 4.37Å; V145-I155 HydrophobicContact CG1-CB 4.01Å; V145-I155 HydrophobicContact CG1-CD1 4.39Å; V145-I155 HydrophobicContact CG1-CG2 4.45Å
146T94.7Very high94Very high93 Ų9369.2 Ų69.257%0.57140%0.395SS*.EExtended strand (participates in β ladder)trans-95119.1175.5-55.30000109.4
147S87.8Confident93.9Very high38 Ų3867.4 Ų67.427%0.26639%0.392SS..  trans-68.8160.1175.5-1740000111.8L149 G150 T151S147-L149 PolarHBondContact O-N 3.01Å; S147-G150 PolarHBondContact O-N 3.45Å; S147-T151 WeakPolarHBondContact CB-O 3.39Å; S147-T151 WeakPolarHBondContact CB-OG1 3.33Å; S147-T151 PolarHBondContact N-O 3.19Å
148Q85Confident93.9Very high203 Ų20365.6 Ų65.695%0.94938%0.38SS*.THydrogen-bonded Turntrans-56.8-24.6177-61177.39.300113.2G150Q148-G150 VanDerWaalsContact C-N 3.27Å; Q148-G150 PolarHBondContact O-N 3.34Å
149L85.5Confident93.8Very high154 Ų15467.3 Ų67.381%0.80639%0.387SS*.THydrogen-bonded Turntrans-85.38.9176-59.2175.7000113.5S147 T151S147-L149 PolarHBondContact O-N 3.01Å; L149-T151 VanDerWaalsContact C-N 3.28Å; L149-T151 PolarHBondContact O-N 3.36Å
150G88.6Confident93.5Very high56 Ų5673.3 Ų73.358%0.57741%0.413SS*.SBendtrans77.74.2-17900000115S147 Q148S147-G150 PolarHBondContact O-N 3.45Å; Q148-G150 VanDerWaalsContact C-N 3.27Å; Q148-G150 PolarHBondContact O-N 3.34Å
151T91.3Very high93.4Very high63 Ų6369.6 Ų69.639%0.38739%0.388SS..  trans-82.2124.2178.249.10000111.5S147 L149S147-T151 WeakPolarHBondContact CB-O 3.39Å; S147-T151 WeakPolarHBondContact CB-OG1 3.33Å; S147-T151 PolarHBondContact N-O 3.19Å; L149-T151 VanDerWaalsContact C-N 3.28Å; L149-T151 PolarHBondContact O-N 3.36Å
152V95.6Very high93.2Very high48 Ų4868.6 Ų68.629%0.29138%0.376SS..EExtended strand (participates in β ladder)trans-80.3125.7171.3-176.70000109.5K129 V144K129-V152 WeakPolarHBondContact CE-O 3.41Å; K129-V152 PolarHBondContact NZ-O 3.21Å; V144-V152 HydrophobicContact CB-CG1 3.9Å; V144-V152 HydrophobicContact CG1-CG1 4.1Å; V144-V152 HydrophobicContact CG2-CG1 4.35Å
153N96.7Very high92.9Very high6 Ų667.5 Ų67.53%0.03237%0.37CS..EExtended strand (participates in β ladder)trans-124.7154.2177.1-59.3-27.6000108.8W103 Q127 V144 V145W103-N153 HydrophobicContact CH2-CB 4.3Å; W103-N153 WeakPolarHBondContact CH2-ND2 3.35Å; Q127-N153 HydrophobicContact CB-CB 4.33Å; Q127-N153 PolarHBondContact OE1-ND2 3.49Å; V144-N153 CarbonylContact C-O 3.26Å; V144-N153 VanDerWaalsContact CA-O 3.22Å; V144-N153 WeakPolarHBondContact CA-O 3.39Å; V144-N153 WeakPolarHBondContact CB-O 3.27Å; V145-N153 PolarHBondContact N-O 3.26Å; V145-N153 PolarHBondContact O-N 3.21Å
154N97.3Very high92.7Very high0 Ų069.3 Ų69.30%037%0.372CS..EExtended strand (participates in β ladder)trans-73.9156.2163.9-69.7110.6000110.2Q127 Y128 H138 D139 E142 P143 V144Q127-N154 CarbonylContact C-O 3.47Å; Q127-N154 VanDerWaalsContact CA-O 3.31Å; Q127-N154 WeakPolarHBondContact CA-O 3.44Å; Y128-N154 HydrophobicContact CD1-CB 3.85Å; Y128-N154 HydrophobicContact CD2-CB 4.01Å; Y128-N154 HydrophobicContact CE1-CB 3.4Å; Y128-N154 HydrophobicContact CE2-CB 3.58Å; Y128-N154 HydrophobicContact CG-CB 4.15Å; Y128-N154 PolarHBondContact N-O 2.73Å; Y128-N154 PolarHBondContact O-N 3.46Å; H138-N154 WeakPolarHBondContact CA-OD1 3.43Å; H138-N154 VanDerWaalsContact CB-OD1 3.3Å; H138-N154 WeakPolarHBondContact CB-OD1 3.46Å; D139-N154 PolarHBondContact N-OD1 2.92Å; D139-N154 PolarHBondContact O-ND2 3.43Å; E142-N154 PolarHBondContact O-ND2 3.33Å; P143-N154 CarbonylContact O-C 3.57Å; P143-N154 VanDerWaalsContact O-CA 3.23Å; P143-N154 WeakPolarHBondContact O-CA 3.45Å; P143-N154 PolarHBondContact O-ND2 2.91Å; V144-N154 WeakPolarHBondContact CG1-ND2 3.47Å
155I97.1Very high92.5Very high33 Ų3370.5 Ų70.517%0.16938%0.379CS..EExtended strand (participates in β ladder)trans-129.1134.4174.4-173.9169.2000110E125 H126 P143 V145E125-I155 HydrophobicContact CB-CD1 4.27Å; E125-I155 HydrophobicContact CG-CD1 4.3Å; H126-I155 WeakPolarHBondContact O-CA 3.35Å; P143-I155 HydrophobicContact CB-CG2 3.9Å; P143-I155 PolarHBondContact O-N 3.33Å; V145-I155 HydrophobicContact CB-CB 4.45Å; V145-I155 HydrophobicContact CB-CG2 4.37Å; V145-I155 HydrophobicContact CG1-CB 4.01Å; V145-I155 HydrophobicContact CG1-CD1 4.39Å; V145-I155 HydrophobicContact CG1-CG2 4.45Å
156I96.3Very high92.3Very high41 Ų4176.5 Ų76.521%0.2140%0.401CS..EExtended strand (participates in β ladder)trans-123136.4172.2-173.7163.4000109.4T83 F85 H126 Y128T83-I156 HydrophobicContact CG2-CD1 3.69Å; F85-I156 HydrophobicContact CE1-CG2 4.11Å; F85-I156 HydrophobicContact CZ-CG2 4.08Å; H126-I156 HydrophobicContact CB-CG2 3.95Å; H126-I156 PolarHBondContact N-O 3.1Å; H126-I156 PolarHBondContact O-N 2.89Å; Y128-I156 HydrophobicContact CD1-CG2 4.05Å; Y128-I156 HydrophobicContact CE1-CB 3.95Å; Y128-I156 HydrophobicContact CE1-CG2 3.95Å
157Q95.3Very high92.2Very high84 Ų8475.1 Ų75.139%0.39339%0.391SS..EExtended strand (participates in β ladder)trans-103.6116.3174.1174.570.969.600108.1G124 E125 K159G124-Q157 VanDerWaalsContact C-NE2 3.31Å; G124-Q157 PolarHBondContact O-NE2 3.45Å; E125-Q157 VanDerWaalsContact CG-OE1 3.23Å; Q157-K159 HydrophobicContact CG-CD 4.3Å; Q157-K159 HydrophobicContact CG-CG 3.76Å
158V95.1Very high92.4Very high5 Ų574.4 Ų74.43%0.0339%0.387CS..EExtended strand (participates in β ladder)trans-94.4121.7173.8-179.70000108.3T83 L121 G124 F163T83-V158 HydrophobicContact CG2-CG2 4.3Å; L121-V158 HydrophobicContact CB-CG2 4.39Å; G124-V158 PolarHBondContact N-O 3.14Å; G124-V158 PolarHBondContact O-N 3.24Å; V158-F163 HydrophobicContact CG1-CE2 3.61Å; V158-F163 HydrophobicContact CG1-CZ 3.64Å
159K92.4Very high92.8Very high101 Ų10170 Ų7044%0.43937%0.369SS..  trans-122.6158.2179.8-52.7-176.4-179.4-178.90111.8Q157 T161 D162 F163Q157-K159 HydrophobicContact CG-CD 4.3Å; Q157-K159 HydrophobicContact CG-CG 3.76Å; K159-T161 WeakPolarHBondContact CB-OG1 3.48Å; K159-T161 PolarHBondContact O-N 3.19Å; K159-D162 WeakPolarHBondContact CA-OD2 3.47Å; K159-D162 WeakPolarHBondContact CB-OD2 3.43Å; K159-D162 PolarHBondContact N-OD2 3.49Å; K159-D162 PolarHBondContact O-N 2.98Å; K159-D162 VanDerWaalsContact O-N 3.14Å; K159-F163 WeakPolarHBondContact O-CD2 3.48Å; K159-F163 WeakPolarHBondContact O-CE2 3.2Å
160K90.4Very high93Very high132 Ų13267.1 Ų67.157%0.57435%0.353SS*.G310 helixtrans-51.5-42.4173-66.8-171.2177-170.90113.4R81 E123 D162R81-K160 PolarHBondContact NH1-O 3.06Å; E123-K160 VanDerWaalsContact CD-CE 3.47Å; E123-K160 HydrophobicContact CG-CG 4.47Å; E123-K160 VanDerWaalsContact OE1-CE 3.25Å; E123-K160 WeakPolarHBondContact OE1-CE 3.21Å; E123-K160 VanDerWaalsContact OE1-CG 3.27Å; E123-K160 WeakPolarHBondContact OE1-CG 3.19Å; E123-K160 WeakPolarHBondContact OE2-CE 3.39Å; E123-K160 WeakPolarHBondContact OE2-CG 3.34Å; K160-D162 PolarHBondContact O-N 2.86Å
161T91.6Very high93Very high35 Ų3565.9 Ų65.922%0.21533%0.334CS..G310 helixtrans-60.6-25.4-17849.80000113.9K159 F163 D167 A168 V171K159-T161 WeakPolarHBondContact CB-OG1 3.48Å; K159-T161 PolarHBondContact O-N 3.19Å; T161-F163 PolarHBondContact O-N 2.8Å; T161-D167 HydrophobicContact CG2-CB 4.14Å; T161-A168 WeakPolarHBondContact O-CA 3.28Å; T161-A168 WeakPolarHBondContact O-CB 3.44Å; T161-A168 PolarHBondContact O-N 3.23Å; T161-V171 HydrophobicContact CG2-CG2 4.16Å
162D90.9Very high93Very high67 Ų6766.7 Ų66.736%0.35834%0.336SS..G310 helixtrans-78.7-4.1-169.3-48.6-24.9000112.4K159 K160K159-D162 WeakPolarHBondContact CA-OD2 3.47Å; K159-D162 WeakPolarHBondContact CB-OD2 3.43Å; K159-D162 PolarHBondContact N-OD2 3.49Å; K159-D162 PolarHBondContact O-N 2.98Å; K159-D162 VanDerWaalsContact O-N 3.14Å; K160-D162 PolarHBondContact O-N 2.86Å
163F89.1Confident92.6Very high60 Ų6066.4 Ų66.426%0.26334%0.336SS..THydrogen-bonded Turntrans-115.6-24.6-175.5-57.7-81000113.4R81 V158 K159 T161R81-F163 HydrophobicContact CB-CD1 3.79Å; R81-F163 HydrophobicContact CB-CD2 4.35Å; R81-F163 HydrophobicContact CB-CE1 3.3Å; R81-F163 HydrophobicContact CB-CE2 3.9Å; R81-F163 HydrophobicContact CB-CG 4.29Å; R81-F163 HydrophobicContact CB-CZ 3.34Å; R81-F163 VanDerWaalsContact CD-CE2 3.46Å; R81-F163 HydrophobicContact CG-CD1 4.42Å; R81-F163 HydrophobicContact CG-CD2 4.49Å; R81-F163 HydrophobicContact CG-CE1 4.32Å; R81-F163 HydrophobicContact CG-CE2 4.34Å; R81-F163 HydrophobicContact CG-CZ 4.26Å; R81-F163 VanDerWaalsContact NH1-CD2 3.27Å; V158-F163 HydrophobicContact CG1-CE2 3.61Å; V158-F163 HydrophobicContact CG1-CZ 3.64Å; K159-F163 WeakPolarHBondContact O-CD2 3.48Å; K159-F163 WeakPolarHBondContact O-CE2 3.2Å; T161-F163 PolarHBondContact O-N 2.8Å
164E92.3Very high92.1Very high118 Ų11872.1 Ų72.155%0.55136%0.363SS*.SBendtrans-88.6113.2169.2-71.3-57.4154.200108.7F166 D167 A168E164-F166 PolarHBondContact O-N 3Å; E164-F166 VanDerWaalsContact O-N 3.13Å; E164-D167 HydrophobicContact CB-CB 4.06Å; E164-D167 PolarHBondContact O-N 3.48Å; E164-A168 PolarHBondContact O-N 3.34Å
165V92.2Very high91.4Very high99 Ų9978.6 Ų78.660%0.639%0.391SS*.Hα-helixtrans-57.5-36.6-168.9178.50000112.3L169V165-L169 HydrophobicContact CG1-CD1 3.99Å; V165-L169 WeakPolarHBondContact O-CB 3.13Å; V165-L169 WeakPolarHBondContact O-CD1 2.91Å; V165-L169 WeakPolarHBondContact O-CG 3.27Å; V165-L169 PolarHBondContact O-N 3.3Å; V165-L169 VanDerWaalsContact O-N 3.1Å
166F92.6Very high90.2Very high171 Ų17181.4 Ų81.475%0.7541%0.413SS*.Hα-helixtrans-70.7-37.6177.7-63.4-66.8000112.7E164 M170E164-F166 PolarHBondContact O-N 3Å; E164-F166 VanDerWaalsContact O-N 3.13Å; F166-M170 VanDerWaalsContact O-CB 3.28Å; F166-M170 WeakPolarHBondContact O-CB 3.25Å; F166-M170 PolarHBondContact O-N 2.91Å
167D93Very high88.2Confident64 Ų6484.5 Ų84.534%0.34244%0.438SS..Hα-helixtrans-71.1-41.8177.9-71-11.5000111.3T161 E164 M170 V171T161-D167 HydrophobicContact CG2-CB 4.14Å; E164-D167 HydrophobicContact CB-CB 4.06Å; E164-D167 PolarHBondContact O-N 3.48Å; D167-M170 PolarHBondContact O-N 2.94Å; D167-V171 WeakPolarHBondContact O-CB 3.49Å; D167-V171 WeakPolarHBondContact O-CG2 3.34Å; D167-V171 PolarHBondContact O-N 3.24Å
168A92.9Very high86.1Confident23 Ų2386.2 Ų86.219%0.1945%0.45CS..Hα-helixtrans-58.2-50.1174.100000111.1T161 E164 M170 V171 D172T161-A168 WeakPolarHBondContact O-CA 3.28Å; T161-A168 WeakPolarHBondContact O-CB 3.44Å; T161-A168 PolarHBondContact O-N 3.23Å; E164-A168 PolarHBondContact O-N 3.34Å; A168-M170 VanDerWaalsContact C-N 3.35Å; A168-M170 PolarHBondContact O-N 2.82Å; A168-V171 PolarHBondContact O-N 2.8Å; A168-D172 WeakPolarHBondContact O-CB 3.4Å; A168-D172 PolarHBondContact O-N 3.18Å
169L92Very high84.3Confident110 Ų11090.1 Ų90.158%0.57647%0.469SS*.Hα-helixtrans-63.3-38.4177.2-72.3172.1000112.5V165 S173V165-L169 HydrophobicContact CG1-CD1 3.99Å; V165-L169 WeakPolarHBondContact O-CB 3.13Å; V165-L169 WeakPolarHBondContact O-CD1 2.91Å; V165-L169 WeakPolarHBondContact O-CG 3.27Å; V165-L169 PolarHBondContact O-N 3.3Å; V165-L169 VanDerWaalsContact O-N 3.1Å; L169-S173 WeakPolarHBondContact O-CB 3.49Å; L169-S173 PolarHBondContact O-N 3.17Å; L169-S173 PolarHBondContact O-OG 3.32Å
170M89.6Confident82.4Confident93 Ų9390.5 Ų90.546%0.45848%0.484SS..Hα-helixtrans-62-50.5174.8176.1172.154.500111F166 D167 A168 D172 S173 Q174F166-M170 VanDerWaalsContact O-CB 3.28Å; F166-M170 WeakPolarHBondContact O-CB 3.25Å; F166-M170 PolarHBondContact O-N 2.91Å; D167-M170 PolarHBondContact O-N 2.94Å; A168-M170 VanDerWaalsContact C-N 3.35Å; A168-M170 PolarHBondContact O-N 2.82Å; M170-D172 VanDerWaalsContact C-N 3.34Å; M170-D172 PolarHBondContact O-N 2.98Å; M170-S173 PolarHBondContact O-N 3.13Å; M170-S173 PolarHBondContact O-OG 3.32Å; M170-Q174 WeakPolarHBondContact O-CG 3.35Å; M170-Q174 PolarHBondContact O-N 3.02Å
171V90Very high80.6Confident31 Ų3189.6 Ų89.619%0.18848%0.482CS..Hα-helixtrans-60.6-42178.4167.60000111.5T161 D167 A168 Q174 K175T161-V171 HydrophobicContact CG2-CG2 4.16Å; D167-V171 WeakPolarHBondContact O-CB 3.49Å; D167-V171 WeakPolarHBondContact O-CG2 3.34Å; D167-V171 PolarHBondContact O-N 3.24Å; A168-V171 PolarHBondContact O-N 2.8Å; V171-Q174 PolarHBondContact O-N 3.18Å; V171-K175 WeakPolarHBondContact O-CG 3.22Å; V171-K175 PolarHBondContact O-N 3.33Å
172D89.6Confident78.8Confident79 Ų7993.9 Ų93.942%0.42250%0.502SS..Hα-helixtrans-72.1-35.4179.4-76.1-13.1000112.9A168 M170 Q174 K175 C176A168-D172 WeakPolarHBondContact O-CB 3.4Å; A168-D172 PolarHBondContact O-N 3.18Å; M170-D172 VanDerWaalsContact C-N 3.34Å; M170-D172 PolarHBondContact O-N 2.98Å; D172-Q174 PolarHBondContact O-N 3.03Å; D172-K175 PolarHBondContact O-N 2.88Å; D172-K175 WeakPolarHBondContact OD1-CE 3.25Å; D172-K175 IonicContact OD1-NZ 2.65Å; D172-K175 PolarHBondContact OD1-NZ 2.83Å; D172-C176 PolarHBondContact O-N 2.96Å; D172-C176 VanDerWaalsContact O-N 3.17Å
173S88.1Confident77.1Confident42 Ų4296.2 Ų96.229%0.29452%0.524SS..Hα-helixtrans-60.3-35.9172.475.80000112.2L169 M170 C176 M179L169-S173 WeakPolarHBondContact O-CB 3.49Å; L169-S173 PolarHBondContact O-N 3.17Å; L169-S173 PolarHBondContact O-OG 3.32Å; M170-S173 PolarHBondContact O-N 3.13Å; M170-S173 PolarHBondContact O-OG 3.32Å; S173-C176 PolarHBondContact O-N 3.03Å; S173-M179 VanDerWaalsContact O-CG 3.27Å; S173-M179 WeakPolarHBondContact O-CG 3.44Å
174Q85.9Confident75.7Confident127 Ų12795.9 Ų95.959%0.59353%0.529SS*.Hα-helixtrans-73.1-32177.7-68.5172.98.500112.9M170 V171 D172 S177M170-Q174 WeakPolarHBondContact O-CG 3.35Å; M170-Q174 PolarHBondContact O-N 3.02Å; V171-Q174 PolarHBondContact O-N 3.18Å; D172-Q174 PolarHBondContact O-N 3.03Å; Q174-S177 WeakPolarHBondContact O-CB 3.44Å
175K82.6Confident74.7Confident135 Ų13596 Ų9659%0.58754%0.543SS*.Hα-helixtrans-66.6-39.2173.6-67.9170.6-167.8158.50111.6V171 D172 S177V171-K175 WeakPolarHBondContact O-CG 3.22Å; V171-K175 PolarHBondContact O-N 3.33Å; D172-K175 PolarHBondContact O-N 2.88Å; D172-K175 WeakPolarHBondContact OD1-CE 3.25Å; D172-K175 IonicContact OD1-NZ 2.65Å; D172-K175 PolarHBondContact OD1-NZ 2.83Å; K175-S177 PolarHBondContact O-N 3.32Å
176C71.6Confident74Confident93 Ų9394.3 Ų94.363%0.62853%0.534SS*.SBendtrans-79.655.2175.3-66.60000111.1D172 S173 D178D172-C176 PolarHBondContact O-N 2.96Å; D172-C176 VanDerWaalsContact O-N 3.17Å; S173-C176 PolarHBondContact O-N 3.03Å; C176-D178 PolarHBondContact O-N 3.36Å
177S54Low73.1Confident106 Ų10689 Ų8974%0.74152%0.517SS*.  trans-7157-16747.20000116Q174 K175Q174-S177 WeakPolarHBondContact O-CB 3.44Å; K175-S177 PolarHBondContact O-N 3.32Å
178D52.5Low72.5Confident120 Ų12088 Ų8864%0.64252%0.521SS*.  trans-108.213.2152.6-148.47.9000110.6C176 S180 E181C176-D178 PolarHBondContact O-N 3.36Å; D178-S180 PolarHBondContact O-N 3.45Å; D178-E181 PolarHBondContact O-N 3.03Å
179M56.1Low72.3Confident87 Ų8792.3 Ų92.343%0.42955%0.547SS..G310 helixtrans-67-12.3177.7-80.8-73.7155.300114.3S173 E181 L182 S183S173-M179 VanDerWaalsContact O-CG 3.27Å; S173-M179 WeakPolarHBondContact O-CG 3.44Å; M179-E181 PolarHBondContact O-N 3.18Å; M179-L182 HydrophobicContact CE-CD1 3.56Å; M179-L182 PolarHBondContact O-N 3.49Å; M179-L182 HydrophobicContact SD-CB 4.04Å; M179-L182 HydrophobicContact SD-CD1 3.56Å; M179-L182 VanDerWaalsContact SD-CD1 3.56Å; M179-L182 HydrophobicContact SD-CG 4.39Å; M179-S183 PolarHBondContact O-N 3.17Å
180S54.3Low72.1Confident108 Ų10896.8 Ų96.876%0.75556%0.558SS**G310 helixtrans-63.8-23.4175.2-158.50000112.1D178D178-S180 PolarHBondContact O-N 3.45Å
181E51.2Low72Confident113 Ų11398.8 Ų98.853%0.52857%0.566SS.*G310 helixtrans-85.8-8.3173.2-62.7-139.5151.600114.1D178 M179 P187D178-E181 PolarHBondContact O-N 3.03Å; M179-E181 PolarHBondContact O-N 3.18Å; E181-P187 HydrophobicContact CB-CB 3.9Å; E181-P187 HydrophobicContact CB-CG 3.82Å; E181-P187 HydrophobicContact CG-CB 3.9Å; E181-P187 HydrophobicContact CG-CG 4.2Å
182L53.6Low72.2Confident125 Ų125107 Ų10765%0.65460%0.602SS**THydrogen-bonded Turntrans-105.3-13.4-173.5-64.7174.3000113.9M179 S184M179-L182 HydrophobicContact CE-CD1 3.56Å; M179-L182 PolarHBondContact O-N 3.49Å; M179-L182 HydrophobicContact SD-CB 4.04Å; M179-L182 HydrophobicContact SD-CD1 3.56Å; M179-L182 VanDerWaalsContact SD-CD1 3.56Å; M179-L182 HydrophobicContact SD-CG 4.39Å; L182-S184 VanDerWaalsContact C-N 3.31Å
183S55.9Low72.4Confident116 Ų116110.6 Ų110.681%0.81162%0.617SS**SBendtrans-73-22.3175.8-166.20000113.3M179M179-S183 PolarHBondContact O-N 3.17Å
184S58.8Low72.4Confident53 Ų53114.1 Ų114.137%0.37164%0.638SS.*SBendtrans-141.7139171.563.50000111L182 P186L182-S184 VanDerWaalsContact C-N 3.31Å; S184-P186 CarbonylContact C-O 3.57Å; S184-P186 VanDerWaalsContact C-O 3.26Å; S184-P186 WeakPolarHBondContact CB-O 3.45Å; S184-P186 CarbonylContact O-C 3.21Å; S184-P186 PolarHBondContact OG-O 3.15Å
185S71.4Confident72.4Confident121 Ų121115.1 Ų115.185%0.84664%0.638SS**SBendtrans-110.1113.6162.5-178.70000107.6
186P77.3Confident72.5Confident63 Ų63114.3 Ų114.341%0.40964%0.644SS.*SBendcis-73.8158.64.132-36.1000114.1S184 Y190S184-P186 CarbonylContact C-O 3.57Å; S184-P186 VanDerWaalsContact C-O 3.26Å; S184-P186 WeakPolarHBondContact CB-O 3.45Å; S184-P186 CarbonylContact O-C 3.21Å; S184-P186 PolarHBondContact OG-O 3.15Å; P186-Y190 HydrophobicContact CG-CE1 4.34Å
187P75.5Confident72.8Confident60 Ų60113.7 Ų113.739%0.3964%0.64SS.*SBendtrans-58.1138.6167.4-24.935000112.1E181E181-P187 HydrophobicContact CB-CB 3.9Å; E181-P187 HydrophobicContact CB-CG 3.82Å; E181-P187 HydrophobicContact CG-CB 3.9Å; E181-P187 HydrophobicContact CG-CG 4.2Å
188G80.4Confident74.1Confident42 Ų42114.3 Ų114.343%0.43363%0.629SS.*SBendtrans79-179.5174.800000115.5
189P86.7Confident75.2Confident114 Ų114113.3 Ų113.374%0.7463%0.627SS**  trans-76.7147.7-177.731.7-35000112.3H191P189-H191 PolarHBondContact O-N 3.13Å
190Y88.8Confident76Confident204 Ų204117 Ų11780%0.864%0.644SS**  trans-62.1125.8169.4-70.7-88.1000111P186P186-Y190 HydrophobicContact CG-CE1 4.34Å
191H88.6Confident76.7Confident136 Ų136114.6 Ų114.663%0.6362%0.62SS**  trans-129.1162.5175.459.980.1000111.5P189 E193P189-H191 PolarHBondContact O-N 3.13Å; H191-E193 PolarHBondContact CE1-O 3.29Å; H191-E193 VanDerWaalsContact CE1-O 3.29Å; H191-E193 PolarHBondContact ND1-N 3.16Å; H191-E193 PolarHBondContact ND1-O 2.87Å
192Q94Very high77.4Confident202 Ų202118.3 Ų118.394%0.94463%0.63SS**  trans-96.5-7.3177-65.1-176.7-4.500113.3
193E91.9Very high78.2Confident156 Ų156121.2 Ų121.273%0.72964%0.637SS**SBendtrans-65.7129.8178.2-60.3-169.1163.900110.7H191H191-E193 PolarHBondContact CE1-O 3.29Å; H191-E193 VanDerWaalsContact CE1-O 3.29Å; H191-E193 PolarHBondContact ND1-N 3.16Å; H191-E193 PolarHBondContact ND1-O 2.87Å
194P88.3Confident79.5Confident115 Ų115123.5 Ų123.575%0.74763%0.633SS**PPolyproline II helixtrans-70.7141.1-18029.1-34.5000111.1V196P194-V196 PolarHBondContact O-N 3.43Å
195Y85.9Confident80.8Confident148 Ų148125.8 Ų125.858%0.5865%0.648SS**PPolyproline II helixtrans-64.4126.5177.8-174-107.3000112.1K198 E201Y195-K198 WeakPolarHBondContact OH-CE 3.36Å; Y195-E201 WeakPolarHBondContact CE1-OE2 3.44Å; Y195-E201 PolarHBondContact OH-OE1 3.1Å; Y195-E201 PolarHBondContact OH-OE2 2.8Å
196V85.9Confident81.8Confident119 Ų119125.3 Ų125.372%0.72164%0.643SS**  trans-91.7109.5175.2-177.10000109.2P194 K198P194-V196 PolarHBondContact O-N 3.43Å; V196-K198 PolarHBondContact O-N 2.79Å
197C77.9Confident82.6Confident79 Ų79128.3 Ų128.353%0.53466%0.662SS.*  trans-60.1119.9179.8-178.70000111.6
198K80.6Confident83.6Confident120 Ų120133.2 Ų133.252%0.52268%0.684SS.*  trans-75.5148.8178.4-59.8173.7-165.9150.70110.6Y195 V196 E200 E201 R202Y195-K198 WeakPolarHBondContact OH-CE 3.36Å; V196-K198 PolarHBondContact O-N 2.79Å; K198-E200 PolarHBondContact O-N 2.7Å; K198-E201 HydrophobicContact CB-CG 4.42Å; K198-E201 IonicContact NZ-OE1 3.64Å; K198-E201 PolarHBondContact O-N 2.93Å; K198-R202 PolarHBondContact O-N 3.39Å
199T75.1Confident84.3Confident98 Ų98136.1 Ų136.160%0.60169%0.689SS**G310 helixtrans-55.3-37.3179.7-49.90000112.9E201 R202T199-E201 VanDerWaalsContact C-N 3.3Å; T199-E201 PolarHBondContact O-N 3.17Å; T199-R202 VanDerWaalsContact O-CB 3.32Å; T199-R202 WeakPolarHBondContact O-CB 3.31Å; T199-R202 PolarHBondContact O-N 3.15Å
200E72.9Confident84.8Confident165 Ų165133.7 Ų133.777%0.77167%0.673SS**G310 helixtrans-65.4-26.8176.8-57.4-56.2140.400114.1K198K198-E200 PolarHBondContact O-N 2.7Å
201E70.8Confident85.2Confident57 Ų57128.1 Ų128.127%0.26666%0.661SS.*G310 helixtrans-91.3-14.2-177.5-69.5164.8-169.600112.5Y195 K198 T199 F203 K204Y195-E201 WeakPolarHBondContact CE1-OE2 3.44Å; Y195-E201 PolarHBondContact OH-OE1 3.1Å; Y195-E201 PolarHBondContact OH-OE2 2.8Å; K198-E201 HydrophobicContact CB-CG 4.42Å; K198-E201 IonicContact NZ-OE1 3.64Å; K198-E201 PolarHBondContact O-N 2.93Å; T199-E201 VanDerWaalsContact C-N 3.3Å; T199-E201 PolarHBondContact O-N 3.17Å; E201-F203 PolarHBondContact O-N 3.2Å; E201-K204 WeakPolarHBondContact O-CB 3.49Å; E201-K204 PolarHBondContact O-N 3.39Å
202R64.3Low85.6Confident192 Ų192125.7 Ų125.773%0.72565%0.65SS**THydrogen-bonded Turntrans-62-14.5-171.8-148.9176.1-160.2165.16.7114.8K198 T199K198-R202 PolarHBondContact O-N 3.39Å; T199-R202 VanDerWaalsContact O-CB 3.32Å; T199-R202 WeakPolarHBondContact O-CB 3.31Å; T199-R202 PolarHBondContact O-N 3.15Å
203F70.1Confident85.7Confident185 Ų185117.4 Ų117.481%0.81161%0.612SS**THydrogen-bonded Turntrans-104.1-0.4179-58.1-75.3000113.8E201 S205E201-F203 PolarHBondContact O-N 3.2Å; F203-S205 PolarHBondContact O-N 3.06Å
204K83.9Confident85.9Confident164 Ų164115.8 Ų115.871%0.71361%0.608SS**  trans-84.2107.2175.7-62.9-177.5-177.9177.40109.6E201E201-K204 WeakPolarHBondContact O-CB 3.49Å; E201-K204 PolarHBondContact O-N 3.39Å
205S87.1Confident86.2Confident101 Ų101115 Ų11571%0.70659%0.594SS**PPolyproline II helixtrans-63.6147.9169.258.20000110.8F203F203-S205 PolarHBondContact O-N 3.06Å
206P90.9Very high86.6Confident112 Ų112109.4 Ų109.473%0.72758%0.576SS**PPolyproline II helixtrans-59.3152.9172.227-35.2000111.2
207P94.1Very high87Confident126 Ų126104 Ų10482%0.81854%0.543SS*.PPolyproline II helixtrans-62.4144.7178.726.6-34.5000111.4
208I96.9Very high87.8Confident163 Ų163103.6 Ų103.684%0.83654%0.535SS*.PPolyproline II helixtrans-65.4134.4176.4-59.8171.5000109P210I208-P210 WeakPolarHBondContact O-CD 3.4Å
209L96.3Very high88.5Confident103 Ų103103.6 Ų103.654%0.53954%0.54SS..PPolyproline II helixtrans-56.4121.6178.2179.667.2000111L213 L214L209-L213 HydrophobicContact CD1-CB 4.38Å; L209-L213 HydrophobicContact CD1-CD1 3.97Å; L209-L214 HydrophobicContact CD2-CD2 3.76Å; L209-L214 HydrophobicContact CD2-CG 4.3Å
210P97.3Very high89.3Confident62 Ų62103.4 Ų103.440%0.40353%0.531SS..PPolyproline II helixtrans-62.2126.6176.1-2535.5000111I208 H212 L213I208-P210 WeakPolarHBondContact O-CD 3.4Å; P210-H212 PolarHBondContact O-N 3.33Å; P210-L213 PolarHBondContact O-N 2.97Å
211P97.1Very high90.1Very high87 Ų87103.6 Ų103.657%0.56554%0.537SS*.G310 helixtrans-64.3-18.4-173.225.1-35.1000113.5L213 L214P211-L213 PolarHBondContact O-N 3.48Å; P211-L214 WeakPolarHBondContact O-CB 3.49Å; P211-L214 PolarHBondContact O-N 3.05Å; P211-L214 VanDerWaalsContact O-N 3.17Å
212H96.7Very high91Very high85 Ų85103.6 Ų103.639%0.39454%0.541SS..G310 helixtrans-57-34.5172.1-61.1103.9000113.1P210 L214 Q215P210-H212 PolarHBondContact O-N 3.33Å; H212-L214 PolarHBondContact O-N 2.91Å; H212-Q215 WeakPolarHBondContact O-CB 3.29Å; H212-Q215 PolarHBondContact O-N 2.86Å
213L96.6Very high92.1Very high29 Ų2996.6 Ų96.615%0.15253%0.529CS..G310 helixtrans-72.2-16.5-179.2-61-176.9000113.1L209 P210 P211 Q215 M238 H241 Y243L209-L213 HydrophobicContact CD1-CB 4.38Å; L209-L213 HydrophobicContact CD1-CD1 3.97Å; P210-L213 PolarHBondContact O-N 2.97Å; P211-L213 PolarHBondContact O-N 3.48Å; L213-Q215 VanDerWaalsContact C-N 3.29Å; L213-M238 HydrophobicContact CD2-CB 4.35Å; L213-H241 HydrophobicContact CD2-CB 4.45Å; L213-Y243 WeakPolarHBondContact O-CE1 3.41Å; L213-Y243 PolarHBondContact O-OH 3.49Å
214L96.1Very high93Very high121 Ų12196.6 Ų96.663%0.63454%0.536SS*.G310 helixtrans-78.2-12.8174-57.6174.6000112.7L209 P211 H212 V216L209-L214 HydrophobicContact CD2-CD2 3.76Å; L209-L214 HydrophobicContact CD2-CG 4.3Å; P211-L214 WeakPolarHBondContact O-CB 3.49Å; P211-L214 PolarHBondContact O-N 3.05Å; P211-L214 VanDerWaalsContact O-N 3.17Å; H212-L214 PolarHBondContact O-N 2.91Å; L214-V216 VanDerWaalsContact C-N 3.29Å; L214-V216 PolarHBondContact O-N 3.46Å
215Q93.3Very high93.4Very high98 Ų9894.8 Ų94.846%0.45854%0.544SS..  trans-85.364-178.4-59-17110.600112.2H212 L213 I217H212-Q215 WeakPolarHBondContact O-CB 3.29Å; H212-Q215 PolarHBondContact O-N 2.86Å; L213-Q215 VanDerWaalsContact C-N 3.29Å; Q215-I217 PolarHBondContact O-N 2.84Å
216V94.4Very high93.6Very high32 Ų3292.6 Ų92.619%0.19453%0.528CS..  trans-55.8118.9-178.7-170.90000111L214 L218 N219 Y243L214-V216 VanDerWaalsContact C-N 3.29Å; L214-V216 PolarHBondContact O-N 3.46Å; V216-L218 VanDerWaalsContact C-N 3.32Å; V216-L218 HydrophobicContact CG1-CB 4.41Å; V216-L218 PolarHBondContact O-N 3.39Å; V216-N219 HydrophobicContact CB-CB 4.06Å; V216-N219 HydrophobicContact CG1-CB 4.38Å; V216-N219 PolarHBondContact O-N 2.91Å; V216-N219 VanDerWaalsContact O-N 3.17Å; V216-Y243 HydrophobicContact CB-CD1 4.42Å; V216-Y243 HydrophobicContact CB-CE1 4.41Å; V216-Y243 HydrophobicContact CG1-CD1 4.02Å; V216-Y243 HydrophobicContact CG1-CE1 4.43Å; V216-Y243 HydrophobicContact CG1-CG 4.44Å; V216-Y243 HydrophobicContact CG2-CD1 3.84Å; V216-Y243 HydrophobicContact CG2-CE1 3.78Å
217I95.1Very high93.8Very high6 Ų691.8 Ų91.83%0.03152%0.517CS..G310 helixtrans-64.4-34.9-176.6-173.3164.3000113Q215 N219 K220 L231 P232 P234 M238 T266Q215-I217 PolarHBondContact O-N 2.84Å; I217-N219 PolarHBondContact O-N 2.94Å; I217-K220 PolarHBondContact O-N 2.81Å; I217-L231 HydrophobicContact CD1-CB 4.03Å; I217-L231 HydrophobicContact CD1-CD1 4.42Å; I217-L231 HydrophobicContact CG1-CB 4.28Å; I217-L231 HydrophobicContact CG1-CD1 4.43Å; I217-P232 HydrophobicContact CD1-CG 4.4Å; I217-P232 VanDerWaalsContact CD1-O 3.31Å; I217-P232 WeakPolarHBondContact CD1-O 3.44Å; I217-P232 HydrophobicContact CG1-CG 4.16Å; I217-P234 HydrophobicContact CD1-CB 3.95Å; I217-M238 HydrophobicContact CB-CE 3.95Å; I217-M238 HydrophobicContact CB-SD 4.37Å; I217-M238 HydrophobicContact CG2-CE 3.95Å; I217-T266 HydrophobicContact CG2-CG2 4.43Å
218L95.1Very high93.8Very high70 Ų7091.5 Ų91.537%0.36652%0.515SS..G310 helixtrans-74.9-11178.1-62.3177.8000113.8V216 L231 T266 L268V216-L218 VanDerWaalsContact C-N 3.32Å; V216-L218 HydrophobicContact CG1-CB 4.41Å; V216-L218 PolarHBondContact O-N 3.39Å; L218-L231 HydrophobicContact CD2-CD1 3.85Å; L218-L231 HydrophobicContact CD2-CD2 4.2Å; L218-T266 HydrophobicContact CD1-CG2 4.06Å; L218-T266 HydrophobicContact CD2-CG2 3.89Å; L218-T266 HydrophobicContact CG-CG2 4.06Å; L218-L268 HydrophobicContact CD1-CD1 3.94Å; L218-L268 HydrophobicContact CD1-CD2 4.32Å; L218-L268 HydrophobicContact CD1-CG 4.22Å; L218-L268 HydrophobicContact CD2-CD1 4.42Å
219N94.8Very high93.7Very high119 Ų11987.7 Ų87.764%0.63651%0.508SS*.G310 helixtrans-97.16.9175.4-62.44000112V216 I217V216-N219 HydrophobicContact CB-CB 4.06Å; V216-N219 HydrophobicContact CG1-CB 4.38Å; V216-N219 PolarHBondContact O-N 2.91Å; V216-N219 VanDerWaalsContact O-N 3.17Å; I217-N219 PolarHBondContact O-N 2.94Å
220K91.8Very high93.7Very high95 Ų9587.6 Ų87.641%0.41351%0.508SS..SBendtrans-97.4123.6176.4-64.6-177.9179.9-178.70109I217 T222 P232I217-K220 PolarHBondContact O-N 2.81Å; K220-T222 PolarHBondContact O-N 3.37Å; K220-P232 HydrophobicContact CD-CG 4.41Å
221D90.5Very high93.6Very high168 Ų16888 Ų8890%0.89851%0.506SS*.PPolyproline II helixtrans-62.1134.4172.8-60.7-56.6000110.7
222T89.3Confident93.5Very high57 Ų5786.6 Ų86.635%0.3550%0.497SS..PPolyproline II helixtrans-95.2154.6171.254.20000109.9K220 I224K220-T222 PolarHBondContact O-N 3.37Å; T222-I224 PolarHBondContact O-N 3.1Å
223G87.4Confident93.5Very high45 Ų4589.8 Ų89.846%0.46451%0.512SS..PPolyproline II helixtrans-65.8132.7179.600000111S225 C226G223-S225 PolarHBondContact O-N 3.27Å; G223-C226 PolarHBondContact O-N 3.15Å; G223-C226 PolarHBondContact O-SG 3.42Å
224I89.1Confident93.5Very high186 Ų18688.9 Ų88.995%0.95451%0.508SS*.THydrogen-bonded Turntrans-56.5-18.6-176-52.4161.9000112.8T222T222-I224 PolarHBondContact O-N 3.1Å
225S91.8Very high93.5Very high126 Ų12686 Ų8688%0.88149%0.493SS*.THydrogen-bonded Turntrans-86-5178.256.20000115.9G223G223-S225 PolarHBondContact O-N 3.27Å
226C91.9Very high93.7Very high55 Ų5587.6 Ų87.637%0.37250%0.5SS..SBendtrans-104.8163.1179.272.30000112.9G223G223-C226 PolarHBondContact O-N 3.15Å; G223-C226 PolarHBondContact O-SG 3.42Å
227D94.6Very high93.9Very high94 Ų9488.7 Ų88.750%0.50351%0.507SS..  trans-61.2127.1177.2174.5-13.9000110.2A229 L230D227-A229 PolarHBondContact O-N 2.76Å; D227-A229 WeakPolarHBondContact OD1-CB 3.48Å; D227-A229 PolarHBondContact OD1-N 2.93Å; D227-L230 HydrophobicContact CB-CD1 3.87Å; D227-L230 HydrophobicContact CB-CG 3.93Å; D227-L230 WeakPolarHBondContact O-CB 3.38Å; D227-L230 PolarHBondContact O-N 2.73Å
228P93.7Very high94Very high120 Ų12088.6 Ų88.678%0.77951%0.506SS*.THydrogen-bonded Turntrans-56.8-20.4-179.8-26.535.1000115.7L230P228-L230 VanDerWaalsContact C-N 3.32Å
229A94.7Very high94.1Very high83 Ų8386 Ų8669%0.68649%0.493SS*.THydrogen-bonded Turntrans-81.1-10.4175.500000113.5D227D227-A229 PolarHBondContact O-N 2.76Å; D227-A229 WeakPolarHBondContact OD1-CB 3.48Å; D227-A229 PolarHBondContact OD1-N 2.93Å
230L95.6Very high94.2Very high102 Ų10286 Ų8653%0.53449%0.493SS..  trans-86.5131.7178.8-63.5177.4000111.4D227 P228D227-L230 HydrophobicContact CB-CD1 3.87Å; D227-L230 HydrophobicContact CB-CG 3.93Å; D227-L230 WeakPolarHBondContact O-CB 3.38Å; D227-L230 PolarHBondContact O-N 2.73Å; P228-L230 VanDerWaalsContact C-N 3.32Å
231L96Very high94.5Very high70 Ų7085.3 Ų85.337%0.36649%0.491SS..  trans-113.4155.1173.3-65.3175.1000109.9I217 L218 T266I217-L231 HydrophobicContact CD1-CB 4.03Å; I217-L231 HydrophobicContact CD1-CD1 4.42Å; I217-L231 HydrophobicContact CG1-CB 4.28Å; I217-L231 HydrophobicContact CG1-CD1 4.43Å; L218-L231 HydrophobicContact CD2-CD1 3.85Å; L218-L231 HydrophobicContact CD2-CD2 4.2Å; L231-T266 HydrophobicContact CD1-CG2 4.26Å; L231-T266 WeakPolarHBondContact CD1-OG1 3.38Å
232P95.3Very high94.9Very high58 Ų5883.1 Ų83.138%0.37748%0.479SS..PPolyproline II helixtrans-63.1164.7172.328.4-36.1000111.7I217 K220 P234I217-P232 HydrophobicContact CD1-CG 4.4Å; I217-P232 VanDerWaalsContact CD1-O 3.31Å; I217-P232 WeakPolarHBondContact CD1-O 3.44Å; I217-P232 HydrophobicContact CG1-CG 4.16Å; K220-P232 HydrophobicContact CD-CG 4.41Å; P232-P234 WeakPolarHBondContact O-CD 3.37Å
233E95.9Very high95.3Very high151 Ų15182.1 Ų82.171%0.70647%0.469SS*.PPolyproline II helixtrans-64124.7176.7-176.6164.1-162.700111.2Y264E233-Y264 HydrophobicContact CG-CD2 4.42Å; E233-Y264 HydrophobicContact CG-CE2 3.74Å; E233-Y264 VanDerWaalsContact OE1-CE2 3.29Å; E233-Y264 WeakPolarHBondContact OE1-CE2 3.19Å; E233-Y264 PolarHBondContact OE1-OH 3.24Å
234P97.1Very high95.7Very high10 Ų1083.2 Ų83.27%0.06547%0.474CS..PPolyproline II helixtrans-74.2151176.430.5-36000111.6I217 P232 M238 L239 T257 Y264I217-P234 HydrophobicContact CD1-CB 3.95Å; P232-P234 WeakPolarHBondContact O-CD 3.37Å; P234-M238 HydrophobicContact CB-CG 4.22Å; P234-M238 HydrophobicContact CB-SD 4.05Å; P234-L239 HydrophobicContact CB-CD2 4.16Å; P234-L239 HydrophobicContact CG-CD2 3.92Å; P234-T257 HydrophobicContact CB-CG2 4.26Å; P234-T257 HydrophobicContact CG-CG2 4.04Å; P234-Y264 HydrophobicContact CG-CD1 3.63Å; P234-Y264 HydrophobicContact CG-CD2 3.93Å; P234-Y264 HydrophobicContact CG-CE1 4.08Å; P234-Y264 HydrophobicContact CG-CE2 4.36Å; P234-Y264 HydrophobicContact CG-CG 3.52Å
235N96.9Very high96.1Very high61 Ų6179.5 Ų79.533%0.32646%0.455SS..PPolyproline II helixtrans-67.2139.4167-170.5-31.1000109.4V237 M238N235-V237 PolarHBondContact O-N 3.28Å; N235-V237 VanDerWaalsContact O-N 3.13Å; N235-V237 PolarHBondContact OD1-N 3.08Å; N235-V237 VanDerWaalsContact OD1-N 3.16Å; N235-M238 VanDerWaalsContact O-CG 3.25Å; N235-M238 WeakPolarHBondContact O-CG 3.42Å; N235-M238 PolarHBondContact O-N 2.88Å; N235-M238 VanDerWaalsContact O-N 3.15Å
236H97.4Very high96.3Very high131 Ų13178.5 Ų78.561%0.60645%0.448SS*.G310 helixtrans-58.4-28.417970.9-85.1000113.3M238 L239H236-M238 PolarHBondContact O-N 2.91Å; H236-L239 HydrophobicContact CB-CD1 4.43Å; H236-L239 WeakPolarHBondContact O-CB 3.37Å; H236-L239 WeakPolarHBondContact O-CG 3.4Å; H236-L239 PolarHBondContact O-N 2.84Å
237V97.8Very high96.5Very high55 Ų5580.5 Ų80.533%0.33345%0.454SS..G310 helixtrans-70.3-25.9180-176.90000113.2N235 L239 H241N235-V237 PolarHBondContact O-N 3.28Å; N235-V237 VanDerWaalsContact O-N 3.13Å; N235-V237 PolarHBondContact OD1-N 3.08Å; N235-V237 VanDerWaalsContact OD1-N 3.16Å; V237-L239 VanDerWaalsContact C-N 3.35Å; V237-H241 PolarHBondContact O-CD2 3.07Å; V237-H241 PolarHBondContact O-NE2 3.03Å
238M96.6Very high96.4Very high4 Ų483.3 Ų83.32%0.0246%0.462CS..G310 helixtrans-88.8-1.3179.772.2174.7-56.700113.8L213 I217 P234 N235 H236 Y243L213-M238 HydrophobicContact CD2-CB 4.35Å; I217-M238 HydrophobicContact CB-CE 3.95Å; I217-M238 HydrophobicContact CB-SD 4.37Å; I217-M238 HydrophobicContact CG2-CE 3.95Å; P234-M238 HydrophobicContact CB-CG 4.22Å; P234-M238 HydrophobicContact CB-SD 4.05Å; N235-M238 VanDerWaalsContact O-CG 3.25Å; N235-M238 WeakPolarHBondContact O-CG 3.42Å; N235-M238 PolarHBondContact O-N 2.88Å; N235-M238 VanDerWaalsContact O-N 3.15Å; H236-M238 PolarHBondContact O-N 2.91Å; M238-Y243 HydrophobicContact CE-CE2 3.83Å
239L97.3Very high96.5Very high17 Ų1785.4 Ų85.49%0.08947%0.466CS..THydrogen-bonded Turntrans-71.4148.5178.7-58.4175.4000110.5P234 H236 V237 H241 T257 R259 Y264P234-L239 HydrophobicContact CB-CD2 4.16Å; P234-L239 HydrophobicContact CG-CD2 3.92Å; H236-L239 HydrophobicContact CB-CD1 4.43Å; H236-L239 WeakPolarHBondContact O-CB 3.37Å; H236-L239 WeakPolarHBondContact O-CG 3.4Å; H236-L239 PolarHBondContact O-N 2.84Å; V237-L239 VanDerWaalsContact C-N 3.35Å; L239-H241 PolarHBondContact O-CD2 3.43Å; L239-H241 PolarHBondContact O-N 2.9Å; L239-T257 WeakPolarHBondContact CA-O 3.39Å; L239-T257 HydrophobicContact CD2-CG2 3.6Å; L239-R259 HydrophobicContact CD1-CB 4.19Å; L239-Y264 HydrophobicContact CD1-CD1 4.22Å; L239-Y264 HydrophobicContact CD1-CE1 3.97Å; L239-Y264 HydrophobicContact CD2-CD1 3.96Å; L239-Y264 HydrophobicContact CD2-CE1 4.41Å
240N97.6Very high96.5Very high119 Ų11983.5 Ų83.564%0.63646%0.455SS*.THydrogen-bonded Turntrans622.5-176.9-43.6-32.7000115T257 H258N240-T257 PolarHBondContact N-O 2.89Å; N240-H258 PolarHBondContact OD1-CD2 3.22Å
241H98Very high96.5Very high80 Ų8081 Ų8137%0.3744%0.443SS..  trans-81.4137.5169.8-74.2-88.7000111L213 V237 L239 Y243L213-H241 HydrophobicContact CD2-CB 4.45Å; V237-H241 PolarHBondContact O-CD2 3.07Å; V237-H241 PolarHBondContact O-NE2 3.03Å; L239-H241 PolarHBondContact O-CD2 3.43Å; L239-H241 PolarHBondContact O-N 2.9Å; H241-Y243 HydrophobicContact CB-CE2 4.18Å
242L98Very high96.6Very high121 Ų12180.7 Ų80.763%0.63444%0.441SS*.EExtended strand (participates in β ladder)trans-83.5124.8177.6-172.369.6000110.6L254L242-L254 HydrophobicContact CD1-CB 4.17Å; L242-L254 HydrophobicContact CD1-CD2 4.41Å; L242-L254 HydrophobicContact CD2-CD2 4.35Å
243Y97.7Very high96.7Very high37 Ų3778.9 Ų78.915%0.14543%0.429CS..EExtended strand (participates in β ladder)trans-107.3142.1167.7-66.1-84.2000108.8L213 V216 M238 H241 S255L213-Y243 WeakPolarHBondContact O-CE1 3.41Å; L213-Y243 PolarHBondContact O-OH 3.49Å; V216-Y243 HydrophobicContact CB-CD1 4.42Å; V216-Y243 HydrophobicContact CB-CE1 4.41Å; V216-Y243 HydrophobicContact CG1-CD1 4.02Å; V216-Y243 HydrophobicContact CG1-CE1 4.43Å; V216-Y243 HydrophobicContact CG1-CG 4.44Å; V216-Y243 HydrophobicContact CG2-CD1 3.84Å; V216-Y243 HydrophobicContact CG2-CE1 3.78Å; M238-Y243 HydrophobicContact CE-CE2 3.83Å; H241-Y243 HydrophobicContact CB-CE2 4.18Å; Y243-S255 PolarHBondContact N-O 3.08Å; Y243-S255 PolarHBondContact O-N 3.33Å; Y243-S255 VanDerWaalsContact O-O 3.13Å
244A97.1Very high96.8Very high68 Ų6873.8 Ų73.856%0.56241%0.406SS*.EExtended strand (participates in β ladder)trans-136.5144.3178.800000110V253 L254A244-V253 WeakPolarHBondContact CA-O 3.26Å; A244-L254 HydrophobicContact CB-CD2 3.7Å
245L96.3Very high96.8Very high108 Ų10873.8 Ų73.857%0.56541%0.407SS*.EExtended strand (participates in β ladder)trans-87.8152.4164.4-65.4175.2000109.5I247 V253L245-I247 PolarHBondContact O-N 2.83Å; L245-V253 HydrophobicContact CB-CB 4.3Å; L245-V253 HydrophobicContact CD1-CB 4.29Å; L245-V253 HydrophobicContact CD1-CG1 4.27Å; L245-V253 PolarHBondContact N-O 2.89Å; L245-V253 VanDerWaalsContact N-O 3.1Å
246S96.3Very high96.9Very high105 Ų10571.5 Ų71.573%0.73440%0.396SS*.EExtended strand (participates in β ladder)trans-56.2128.8168.8-52.60000109.8K248S246-K248 PolarHBondContact O-N 3.16Å
247I95.8Very high96.9Very high96 Ų9665.3 Ų65.349%0.49237%0.368SS..EExtended strand (participates in β ladder)trans-55.2132.5179.3-64.4158.3000109.8L245 M252 I273L245-I247 PolarHBondContact O-N 2.83Å; I247-M252 HydrophobicContact CD1-CE 4.29Å; I247-M252 HydrophobicContact CG1-CB 4.45Å; I247-M252 HydrophobicContact CG1-CG 4.44Å; I247-I273 HydrophobicContact CB-CD1 4.34Å; I247-I273 HydrophobicContact CD1-CD1 3.59Å; I247-I273 HydrophobicContact CG1-CD1 3.86Å; I247-I273 HydrophobicContact CG2-CD1 3.52Å
248K94.4Very high97Very high153 Ų15367 Ų6767%0.66537%0.371SS*.EExtended strand (participates in β ladder)trans-139.8148.3174.6-67.7-177.8-177.5-178.90109.1S246 G250 V251S246-K248 PolarHBondContact O-N 3.16Å; K248-G250 PolarHBondContact O-N 2.81Å; K248-V251 PolarHBondContact N-O 3.32Å; K248-V251 PolarHBondContact O-N 3.18Å
249D94.4Very high97.1Very high165 Ų16572.3 Ų72.388%0.88239%0.391SS*.THydrogen-bonded Turntrans52.233.6172.4-48.3-43.6000114.8V251D249-V251 VanDerWaalsContact C-N 3.27Å; D249-V251 PolarHBondContact O-N 3.09Å
250G94.6Very high97.1Very high43 Ų4378.8 Ų78.844%0.44342%0.416SS..THydrogen-bonded Turntrans74.88.2-178.900000115.3K248 P272 I273K248-G250 PolarHBondContact O-N 2.81Å; G250-P272 WeakPolarHBondContact O-CA 3.3Å; G250-I273 PolarHBondContact O-N 3.45Å
251V97Very high97.1Very high48 Ų4880.8 Ų80.829%0.29142%0.419SS..EExtended strand (participates in β ladder)trans-114.8128.9-177.8-176.60000111.2K248 D249 V253 Y270K248-V251 PolarHBondContact N-O 3.32Å; K248-V251 PolarHBondContact O-N 3.18Å; D249-V251 VanDerWaalsContact C-N 3.27Å; D249-V251 PolarHBondContact O-N 3.09Å; V251-V253 HydrophobicContact CG1-CG2 4.42Å; V251-Y270 HydrophobicContact CG1-CD1 4.14Å
252M96.9Very high97.1Very high64 Ų6486.3 Ų86.332%0.31544%0.442SS..EExtended strand (participates in β ladder)trans-87.9134.2166.8-171.3-177.5-68.300109.7I247 L254 Y270 K271 I273I247-M252 HydrophobicContact CD1-CE 4.29Å; I247-M252 HydrophobicContact CG1-CB 4.45Å; I247-M252 HydrophobicContact CG1-CG 4.44Å; M252-L254 HydrophobicContact CG-CD2 4.02Å; M252-L254 HydrophobicContact CG-CG 4.03Å; M252-L254 HydrophobicContact SD-CD1 3.92Å; M252-L254 HydrophobicContact SD-CD2 3.93Å; M252-L254 HydrophobicContact SD-CG 3.93Å; M252-Y270 WeakPolarHBondContact O-CA 3.46Å; M252-K271 PolarHBondContact N-O 2.83Å; M252-K271 PolarHBondContact O-N 2.92Å; M252-I273 HydrophobicContact CB-CD1 4.1Å; M252-I273 HydrophobicContact CB-CG1 4.1Å; M252-I273 HydrophobicContact CE-CD1 4.18Å
253V97.8Very high97Very high20 Ų2088.1 Ų88.112%0.12144%0.444CS..EExtended strand (participates in β ladder)trans-118.8115.3173.9-168.40000109.3A244 L245 V251 L269 Y270A244-V253 WeakPolarHBondContact CA-O 3.26Å; L245-V253 HydrophobicContact CB-CB 4.3Å; L245-V253 HydrophobicContact CD1-CB 4.29Å; L245-V253 HydrophobicContact CD1-CG1 4.27Å; L245-V253 PolarHBondContact N-O 2.89Å; L245-V253 VanDerWaalsContact N-O 3.1Å; V251-V253 HydrophobicContact CG1-CG2 4.42Å; V253-L269 WeakPolarHBondContact CA-O 3.43Å; V253-Y270 HydrophobicContact CB-CD1 4.43Å; V253-Y270 HydrophobicContact CB-CE1 4.29Å; V253-Y270 HydrophobicContact CG1-CD1 4.17Å; V253-Y270 HydrophobicContact CG1-CD2 4.35Å; V253-Y270 HydrophobicContact CG1-CE1 3.79Å; V253-Y270 HydrophobicContact CG1-CE2 3.99Å; V253-Y270 HydrophobicContact CG1-CG 4.42Å; V253-Y270 HydrophobicContact CG2-CD1 3.53Å; V253-Y270 HydrophobicContact CG2-CE1 3.46Å; V253-Y270 VanDerWaalsContact CG2-CE1 3.46Å; V253-Y270 HydrophobicContact CG2-CG 4.36Å
254L97.8Very high97.1Very high44 Ų4489.3 Ų89.323%0.2345%0.449CS..EExtended strand (participates in β ladder)trans-113.6148.2179.1-62.5-177.3000110.3L242 A244 M252 L268 L269L242-L254 HydrophobicContact CD1-CB 4.17Å; L242-L254 HydrophobicContact CD1-CD2 4.41Å; L242-L254 HydrophobicContact CD2-CD2 4.35Å; A244-L254 HydrophobicContact CB-CD2 3.7Å; M252-L254 HydrophobicContact CG-CD2 4.02Å; M252-L254 HydrophobicContact CG-CG 4.03Å; M252-L254 HydrophobicContact SD-CD1 3.92Å; M252-L254 HydrophobicContact SD-CD2 3.93Å; M252-L254 HydrophobicContact SD-CG 3.93Å; L254-L268 CarbonylContact O-C 3.6Å; L254-L268 WeakPolarHBondContact O-CA 3.26Å; L254-L269 PolarHBondContact N-O 3.41Å; L254-L269 PolarHBondContact O-N 3.06Å
255S98Very high97.1Very high11 Ų1189.9 Ų89.98%0.07745%0.446CS..EExtended strand (participates in β ladder)trans-146.2148173.6-170.70000112.3Y243 T266 T267Y243-S255 PolarHBondContact N-O 3.08Å; Y243-S255 PolarHBondContact O-N 3.33Å; Y243-S255 VanDerWaalsContact O-O 3.13Å; S255-T266 WeakPolarHBondContact OG-CG2 3.42Å; S255-T267 WeakPolarHBondContact CA-O 3.44Å; S255-T267 WeakPolarHBondContact CB-O 3.44Å; S255-T267 PolarHBondContact OG-O 3.49Å
256A98.2Very high97.2Very high13 Ų1386.1 Ų86.111%0.10743%0.427CS..EExtended strand (participates in β ladder)trans-148.4145.1171.100000109.9T267A256-T267 PolarHBondContact N-O 3.21Å; A256-T267 PolarHBondContact O-N 3.01Å; A256-T267 VanDerWaalsContact O-N 3.08Å
257T98.4Very high97.3Very high1 Ų184.8 Ų84.81%0.00642%0.415CS..EExtended strand (participates in β ladder)trans-98.2121.6175.7-49.60000109.8P234 L239 N240 V265 T266P234-T257 HydrophobicContact CB-CG2 4.26Å; P234-T257 HydrophobicContact CG-CG2 4.04Å; L239-T257 WeakPolarHBondContact CA-O 3.39Å; L239-T257 HydrophobicContact CD2-CG2 3.6Å; N240-T257 PolarHBondContact N-O 2.89Å; T257-V265 WeakPolarHBondContact CA-O 3.35Å; T257-T266 PolarHBondContact OG1-OG1 2.96Å
258H98.3Very high97.4Very high89 Ų8983.9 Ų83.941%0.41241%0.41SS..EExtended strand (participates in β ladder)trans-115.2148.5-179.7-63.297.5000111.1N240 Y264 V265N240-H258 PolarHBondContact OD1-CD2 3.22Å; H258-Y264 WeakPolarHBondContact O-CA 3.49Å; H258-V265 PolarHBondContact N-O 2.94Å; H258-V265 PolarHBondContact O-N 2.9Å
259R98.4Very high97.6Very high116 Ų11681.3 Ų81.344%0.43840%0.403SS..EExtended strand (participates in β ladder)trans-93.4123.9173.9-176-171.3-67.7-89.31.1109.9L239 K261 K263 Y264L239-R259 HydrophobicContact CD1-CB 4.19Å; R259-K261 WeakPolarHBondContact CG-O 3.26Å; R259-K263 CarbonylContact C-O 3.58Å; R259-K263 WeakPolarHBondContact CA-O 3.29Å; R259-Y264 HydrophobicContact CB-CD1 4.29Å; R259-Y264 HydrophobicContact CB-CE1 4.48Å; R259-Y264 HydrophobicContact CG-CD1 4.37Å; R259-Y264 HydrophobicContact CG-CE1 4.26Å; R259-Y264 VanDerWaalsContact CZ-CE1 3.4Å; R259-Y264 PolarHBondContact NH1-OH 3.04Å; R259-Y264 PolarHBondContact NH2-OH 2.78Å
260Y97.9Very high97.8Very high154 Ų15480.5 Ų80.560%0.60439%0.389SS*.EExtended strand (participates in β ladder)trans-113.8108.5167.7-178.9-103.5000109.7K262 K263Y260-K262 PolarHBondContact O-N 3.25Å; Y260-K263 PolarHBondContact N-O 3.5Å; Y260-K263 PolarHBondContact O-N 3.23Å
261K97.1Very high97.9Very high161 Ų16184.8 Ų84.870%0.740%0.395SS*.THydrogen-bonded Turntrans53.8-109.5-171.4-56.3179.5179.6-179.80110.9R259R259-K261 WeakPolarHBondContact CG-O 3.26Å
262K97.8Very high97.8Very high196 Ų19687.1 Ų87.185%0.85241%0.411SS*.THydrogen-bonded Turntrans-10612.1177.3-61.7-171.5178.8-175.60113.5Y260Y260-K262 PolarHBondContact O-N 3.25Å
263K97.9Very high97.5Very high158 Ų15891.4 Ų91.469%0.68743%0.434SS*.EExtended strand (participates in β ladder)trans-115.1161178-63.3-166.8176.8-168.40110.9R259 Y260R259-K263 CarbonylContact C-O 3.58Å; R259-K263 WeakPolarHBondContact CA-O 3.29Å; Y260-K263 PolarHBondContact N-O 3.5Å; Y260-K263 PolarHBondContact O-N 3.23Å
264Y98.4Very high97.5Very high63 Ų6395 Ų9525%0.24745%0.45CS..EExtended strand (participates in β ladder)trans-119.7142.9177-49.7-79.9000109.5E233 P234 L239 H258 R259E233-Y264 HydrophobicContact CG-CD2 4.42Å; E233-Y264 HydrophobicContact CG-CE2 3.74Å; E233-Y264 VanDerWaalsContact OE1-CE2 3.29Å; E233-Y264 WeakPolarHBondContact OE1-CE2 3.19Å; E233-Y264 PolarHBondContact OE1-OH 3.24Å; P234-Y264 HydrophobicContact CG-CD1 3.63Å; P234-Y264 HydrophobicContact CG-CD2 3.93Å; P234-Y264 HydrophobicContact CG-CE1 4.08Å; P234-Y264 HydrophobicContact CG-CE2 4.36Å; P234-Y264 HydrophobicContact CG-CG 3.52Å; L239-Y264 HydrophobicContact CD1-CD1 4.22Å; L239-Y264 HydrophobicContact CD1-CE1 3.97Å; L239-Y264 HydrophobicContact CD2-CD1 3.96Å; L239-Y264 HydrophobicContact CD2-CE1 4.41Å; H258-Y264 WeakPolarHBondContact O-CA 3.49Å; R259-Y264 HydrophobicContact CB-CD1 4.29Å; R259-Y264 HydrophobicContact CB-CE1 4.48Å; R259-Y264 HydrophobicContact CG-CD1 4.37Å; R259-Y264 HydrophobicContact CG-CE1 4.26Å; R259-Y264 VanDerWaalsContact CZ-CE1 3.4Å; R259-Y264 PolarHBondContact NH1-OH 3.04Å; R259-Y264 PolarHBondContact NH2-OH 2.78Å
265V98.3Very high97.5Very high80 Ų8097.7 Ų97.749%0.48546%0.461SS..EExtended strand (participates in β ladder)trans-134122.8176.7-1780000108.4T257 H258T257-V265 WeakPolarHBondContact CA-O 3.35Å; H258-V265 PolarHBondContact N-O 2.94Å; H258-V265 PolarHBondContact O-N 2.9Å
266T98.3Very high97.5Very high28 Ų28102.5 Ų102.517%0.17248%0.483CS..EExtended strand (participates in β ladder)trans-97.3104.9172.5-53.40000108.3I217 L218 L231 S255 T257 L268I217-T266 HydrophobicContact CG2-CG2 4.43Å; L218-T266 HydrophobicContact CD1-CG2 4.06Å; L218-T266 HydrophobicContact CD2-CG2 3.89Å; L218-T266 HydrophobicContact CG-CG2 4.06Å; L231-T266 HydrophobicContact CD1-CG2 4.26Å; L231-T266 WeakPolarHBondContact CD1-OG1 3.38Å; S255-T266 WeakPolarHBondContact OG-CG2 3.42Å; T257-T266 PolarHBondContact OG1-OG1 2.96Å; T266-L268 HydrophobicContact CG2-CD1 4.33Å
267T98Very high97.4Very high78 Ų78107.8 Ų107.848%0.47951%0.505SS..EExtended strand (participates in β ladder)trans-88.8139.9179.1-52.40000109.3S255 A256S255-T267 WeakPolarHBondContact CA-O 3.44Å; S255-T267 WeakPolarHBondContact CB-O 3.44Å; S255-T267 PolarHBondContact OG-O 3.49Å; A256-T267 PolarHBondContact N-O 3.21Å; A256-T267 PolarHBondContact O-N 3.01Å; A256-T267 VanDerWaalsContact O-N 3.08Å
268L98.2Very high97.4Very high77 Ų77114.4 Ų114.440%0.40354%0.536SS..EExtended strand (participates in β ladder)trans-113.9134.3169.3-74.174.6000108.8L218 L254 T266 Y270L218-L268 HydrophobicContact CD1-CD1 3.94Å; L218-L268 HydrophobicContact CD1-CD2 4.32Å; L218-L268 HydrophobicContact CD1-CG 4.22Å; L218-L268 HydrophobicContact CD2-CD1 4.42Å; L254-L268 CarbonylContact O-C 3.6Å; L254-L268 WeakPolarHBondContact O-CA 3.26Å; T266-L268 HydrophobicContact CG2-CD1 4.33Å; L268-Y270 HydrophobicContact CB-CE2 4.13Å; L268-Y270 HydrophobicContact CD2-CE2 4.31Å
269L97.8Very high97.3Very high98 Ų98116.1 Ų116.151%0.51354%0.544SS..EExtended strand (participates in β ladder)trans-118.6120.4175.3175.964000109.2V253 L254V253-L269 WeakPolarHBondContact CA-O 3.43Å; L254-L269 PolarHBondContact N-O 3.41Å; L254-L269 PolarHBondContact O-N 3.06Å
270Y97.7Very high97.2Very high149 Ų149116.1 Ų116.158%0.58455%0.552SS**EExtended strand (participates in β ladder)trans-99.4121.2170.4-69.3-104.2000107.9V251 M252 V253 L268V251-Y270 HydrophobicContact CG1-CD1 4.14Å; M252-Y270 WeakPolarHBondContact O-CA 3.46Å; V253-Y270 HydrophobicContact CB-CD1 4.43Å; V253-Y270 HydrophobicContact CB-CE1 4.29Å; V253-Y270 HydrophobicContact CG1-CD1 4.17Å; V253-Y270 HydrophobicContact CG1-CD2 4.35Å; V253-Y270 HydrophobicContact CG1-CE1 3.79Å; V253-Y270 HydrophobicContact CG1-CE2 3.99Å; V253-Y270 HydrophobicContact CG1-CG 4.42Å; V253-Y270 HydrophobicContact CG2-CD1 3.53Å; V253-Y270 HydrophobicContact CG2-CE1 3.46Å; V253-Y270 VanDerWaalsContact CG2-CE1 3.46Å; V253-Y270 HydrophobicContact CG2-CG 4.36Å; L268-Y270 HydrophobicContact CB-CE2 4.13Å; L268-Y270 HydrophobicContact CD2-CE2 4.31Å
271K97.3Very high97.2Very high132 Ų132113.2 Ų113.257%0.57455%0.548SS*.EExtended strand (participates in β ladder)trans-134.8123.5-177.9-174.5-178.8171.5-176.70110.4M252M252-K271 PolarHBondContact N-O 2.83Å; M252-K271 PolarHBondContact O-N 2.92Å
272P95.9Very high97.2Very high97 Ų97109.3 Ų109.363%0.6354%0.535SS*.EExtended strand (participates in β ladder)trans-60.5151169.2-22.234000112.1G250G250-P272 WeakPolarHBondContact O-CA 3.3Å
273I90.6Very high97.1Very high155 Ų155101.4 Ų101.480%0.79551%0.506SS*.  trans-103.60177.9-54.1-178.6000110I247 G250 M252I247-I273 HydrophobicContact CB-CD1 4.34Å; I247-I273 HydrophobicContact CD1-CD1 3.59Å; I247-I273 HydrophobicContact CG1-CD1 3.86Å; I247-I273 HydrophobicContact CG2-CD1 3.52Å; G250-I273 PolarHBondContact O-N 3.45Å; M252-I273 HydrophobicContact CB-CD1 4.1Å; M252-I273 HydrophobicContact CB-CG1 4.1Å; M252-I273 HydrophobicContact CE-CD1 4.18Å

Retrieved 273 of 273 residues in 216.4 ms (Link to these results)