A0A093HS42_STRCA Loading...

R-spondin-1

Activator of the canonical Wnt signaling pathway by acting as a ligand for LGR4-6 receptors. Upon binding to LGR4-6 (LGR4, LGR5 or LGR6), LGR4-6 associate with phosphorylated LRP6 and frizzled receptors that are activated by extracellular Wnt receptors, triggering the canonical Wnt signaling pathway to increase expression of target genes. Also regulates the canonical Wnt/beta-catenin-dependent pathway and non-canonical Wnt signaling by acting as an inhibitor of ZNRF3, an important regulator of the Wnt signaling pathway. Acts as a ligand for frizzled FZD8 and LRP6. May negatively regulate the TGF-beta pathway. Has a essential roles in ovary determination. Regulates Wnt signaling by antagonizing DKK1/KREM1-mediated internalization of LRP6 through an interaction with KREM1.

AlphaFold DB , UniProt , Accession A0A093HS42, Species STRCA (Struthio camelus australis), Gene n/a, Length 260 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
1M40.4Very low42.4Very low231 Ų231150.2 Ų150.2100%1.13882%0.816SS**  094.20-70.6-102.7-107.300109.5
2R37.8Very low42.3Very low255 Ų255149.8 Ų149.896%0.96281%0.812SS**  trans-152.2113.7149-101.2-169.5176.8-176.7-1106.7
3L38.3Very low41.8Very low162 Ų162146.7 Ų146.785%0.84881%0.808SS**  trans-83.3159.6-179.7-89.585.3000111.6
4G38.3Very low41.6Very low71 Ų71143.5 Ų143.573%0.73280%0.801SS**  trans148.977.5155.900000112
5L42.7Very low41.6Very low144 Ų144145.1 Ų145.175%0.75480%0.803SS**  75.7110.291-80.9164.1000115.5
6L41Very low41.4Very low151 Ų151144.3 Ų144.379%0.79180%0.797SS**  trans64.3142.9140.5-55.3167000117.2
7V44.1Very low41Very low120 Ų120145.2 Ų145.273%0.72780%0.799SS**  cis-160.3137.446.5172.70000108.1V9V7-V9 HydrophobicContact CG1-CG2 3.93Å
8A45.9Very low40.7Very low96 Ų96144.2 Ų144.279%0.79380%0.798SS**  trans-79.3131.6165.300000110
9V48.8Very low40.4Very low107 Ų107141.1 Ų141.165%0.64880%0.802SS**  trans-134.2110.1162.5-176.70000108.7V7 F11V7-V9 HydrophobicContact CG1-CG2 3.93Å; V9-F11 HydrophobicContact CG1-CD2 3.36Å; V9-F11 HydrophobicContact CG1-CE2 3.46Å; V9-F11 VanDerWaalsContact CG1-CE2 3.46Å
10V47.2Very low40.1Very low121 Ų121139.7 Ų139.773%0.73380%0.801SS**  trans-87125.3165.5172.60000107
11F41.8Very low40.2Very low194 Ų194137.6 Ų137.685%0.85180%0.796SS**  trans-133.1123.2157.3-85.6-73.3000109.8V9V9-F11 HydrophobicContact CG1-CD2 3.36Å; V9-F11 HydrophobicContact CG1-CE2 3.46Å; V9-F11 VanDerWaalsContact CG1-CE2 3.46Å
12L41.8Very low39.9Very low146 Ų146136.5 Ų136.576%0.76478%0.784SS**  trans-85.3157.6176.2-75.7159.4000110.9
13S35.4Very low40.1Very low109 Ų109130.7 Ų130.776%0.76278%0.777SS**  trans68.7146.7149.534.30000117.9
14S38.4Very low40.2Very low102 Ų102129.1 Ų129.171%0.71377%0.774SS**  cis-176.6168.8-8.1-78.40000106.8
15M42.1Very low40.2Very low168 Ų168134.9 Ų134.983%0.82878%0.779SS**  trans85.8140.7159.6-48.5-179.177.100118
16D37.8Very low40Very low132 Ų132131.9 Ų131.971%0.70678%0.782SS**  cis178.3135-24.6-102.9-48.2000105.2
17L35.5Very low40.4Very low159 Ų159134 Ų13483%0.83279%0.785SS**  trans-159.496.2150.5-139.173.4000113.2
18T35.5Very low40.3Very low128 Ų128139.8 Ų139.879%0.78579%0.794SS**  trans52.2122.6136.966.20000121.8
19G34.1Very low40.6Very low85 Ų85143.5 Ų143.588%0.87680%0.795SS**  trans159.2102.8150.700000115.4
20S35.6Very low40.6Very low112 Ų112149.3 Ų149.378%0.78381%0.805SS**  trans-83.2138.6-171.2-168.30000115.5
21S41.4Very low40.4Very low97 Ų97155.1 Ų155.168%0.67881%0.814SS**  trans47118.6143-54.70000122.5
22K34.1Very low41Very low207 Ų207152.9 Ų152.990%0.981%0.81SS**  168.2136.6109.5-87.5171.7-172.1175.70113.7
23V42.8Very low41.2Very low134 Ų134150 Ų15081%0.81280%0.802SS**  trans-21.8142.1165.8179.30000118
24V39.3Very low41.9Very low128 Ų128151.6 Ų151.678%0.77681%0.807SS**  -177.6117.4127.1160.60000112.9
25K38.8Very low42.4Very low192 Ų192153.8 Ų153.884%0.83581%0.806SS**  trans34.497.1147.7-67.2172.3173.5170.40119.8K27K25-K27 PolarHBondContact O-N 3.14Å
26G39.4Very low42.7Very low81 Ų81153.5 Ų153.584%0.83581%0.807SS**  trans-66.8109.7152.800000111R28G26-R28 PolarHBondContact O-N 3.27Å
27K48.1Very low43.4Very low195 Ų195152.2 Ų152.285%0.84881%0.808SS**  trans-66.594166.8-81.8177.8176.1174.80108.5K25 Q29K25-K27 PolarHBondContact O-N 3.14Å; K27-Q29 VanDerWaalsContact C-N 3.29Å; K27-Q29 PolarHBondContact O-N 3.44Å
28R43.4Very low44.8Very low242 Ų242154 Ų15491%0.91381%0.812SS**  trans-7394.6160.2-147.2177-167.3-174.23.6106.2G26 R30G26-R28 PolarHBondContact O-N 3.27Å; R28-R30 PolarHBondContact O-N 3.12Å
29Q52Low46.7Very low174 Ų174150.6 Ų150.681%0.81380%0.803SS**  trans-56.8100.3175-160147.7-41.200107.1K27 R31K27-Q29 VanDerWaalsContact C-N 3.29Å; K27-Q29 PolarHBondContact O-N 3.44Å; Q29-R31 PolarHBondContact O-N 3.18Å
30R48Very low49Very low229 Ų229148.8 Ų148.886%0.86478%0.776SS**  trans-55.4116.1166.2-82.9-177.2176.6175.1-1.6104.7R28 I32R28-R30 PolarHBondContact O-N 3.12Å; R30-I32 VanDerWaalsContact C-N 3.3Å; R30-I32 PolarHBondContact O-N 3.18Å
31R43.4Very low51.4Low243 Ų243147.1 Ų147.192%0.91777%0.769SS**  trans-52.8108.5159.6-72.8-177-173.3171.81.4104.8Q29 S33Q29-R31 PolarHBondContact O-N 3.18Å; R31-S33 PolarHBondContact O-N 2.93Å
32I54.4Low53.6Low148 Ų148154.6 Ų154.676%0.75978%0.783SS**  trans-64.596.9163-67.1168.3000102.3R30 T34R30-I32 VanDerWaalsContact C-N 3.3Å; R30-I32 PolarHBondContact O-N 3.18Å; I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 3.01Å
33S45.7Very low56.3Low86 Ų86146 Ų14660%0.60175%0.752SS**  trans-64.7104.2162.2-148.80000104.1R31 E35R31-S33 PolarHBondContact O-N 2.93Å; S33-E35 PolarHBondContact O-N 3.33Å
34T51Low58.7Low142 Ų142140.2 Ų140.287%0.87172%0.718SS**  trans-71.460.9161.7-43.10000107.1I32I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 3.01Å
35E47.3Very low61.2Low148 Ų148138.4 Ų138.469%0.69270%0.704SS**  trans-118.9103.4172.4-153.2-174.7179.400103.5S33 S37S33-E35 PolarHBondContact O-N 3.33Å; E35-S37 VanDerWaalsContact C-N 3.32Å; E35-S37 PolarHBondContact O-N 3.32Å
36L49.1Very low63.7Low161 Ų161134 Ų13484%0.84369%0.689SS**  trans-50.898177.9-17473.5000107.5Q38L36-Q38 PolarHBondContact O-N 2.92Å
37S51.7Low66.3Low106 Ų106132.3 Ų132.374%0.74166%0.664SS**  trans-54.9120.5172.4-55.70000105.5E35 G39E35-S37 VanDerWaalsContact C-N 3.32Å; E35-S37 PolarHBondContact O-N 3.32Å; S37-G39 PolarHBondContact O-N 2.97Å
38Q65.9Low68.4Low196 Ų196125 Ų12592%0.91664%0.638SS**  trans-61.772.5158.2-82.6146.1-51.200106.6L36L36-Q38 PolarHBondContact O-N 2.92Å
39G75.1Confident70.4Confident57 Ų57122 Ų12259%0.58863%0.634SS**PPolyproline II helixtrans-75.7155.2-179.900000108.5S37S37-G39 PolarHBondContact O-N 2.97Å
40C83.7Confident72.1Confident46 Ų46119.7 Ų119.731%0.31162%0.622SS.*PPolyproline II helixtrans-53.2150.7172.1-57.50000111.2C44 C47C40-C44 HydrophobicContact CB-CB 3.86Å; C40-C44 WeakPolarHBondContact CB-O 3.42Å; C40-C47 WeakPolarHBondContact CA-SG 3.33Å; C40-C47 HydrophobicContact CB-CB 3.62Å; C40-C47 WeakPolarHBondContact CB-SG 3.44Å; C40-C47 WeakPolarHBondContact SG-CB 3Å; C40-C47 PolarHBondContact SG-N 2.9Å; C40-C47 CovalentContact SG-SG 2.03Å; C40-C47 PolarHBondContact SG-SG 2.92Å
41A86Confident74.2Confident78 Ų78112.7 Ų112.765%0.64560%0.601SS**PPolyproline II helixtrans-51.1150.1173.400000110.8G43 C44A41-G43 PolarHBondContact O-N 3.48Å; A41-C44 WeakPolarHBondContact O-CB 3.41Å; A41-C44 PolarHBondContact O-N 2.02Å
42R86.9Confident76.5Confident253 Ų253102.1 Ų102.196%0.95557%0.568SS**THydrogen-bonded Turntrans-54.9131.6-177.3-65.4-163.2-168.7177.25.5110.9C44R42-C44 VanDerWaalsContact C-N 3.33Å
43G89.8Confident78.4Confident26 Ų2695.5 Ų95.527%0.26854%0.535SS..THydrogen-bonded Turntrans83.95.9-177.900000114.9A41 C56 S57 L60A41-G43 PolarHBondContact O-N 3.48Å; G43-C56 WeakPolarHBondContact O-CA 3.41Å; G43-S57 PolarHBondContact O-N 2.89Å; G43-S57 PolarHBondContact O-OG 2.99Å; G43-L60 WeakPolarHBondContact O-CD1 3.45Å
44C93.8Very high80.6Confident14 Ų1495.3 Ų95.310%0.09553%0.526CS..EExtended strand (participates in β ladder)trans-106.4120.2171.3-175.10000110.4C40 A41 R42 L46 C53C40-C44 HydrophobicContact CB-CB 3.86Å; C40-C44 WeakPolarHBondContact CB-O 3.42Å; A41-C44 WeakPolarHBondContact O-CB 3.41Å; A41-C44 PolarHBondContact O-N 2.02Å; R42-C44 VanDerWaalsContact C-N 3.33Å; C44-L46 PolarHBondContact SG-O 3.13Å; C44-C53 VanDerWaalsContact CA-SG 3.55Å; C44-C53 HydrophobicContact CB-CB 3.84Å; C44-C53 WeakPolarHBondContact CB-SG 3.4Å; C44-C53 WeakPolarHBondContact SG-CA 3.42Å; C44-C53 WeakPolarHBondContact SG-CB 3.47Å; C44-C53 CovalentContact SG-SG 2.02Å; C44-C53 PolarHBondContact SG-SG 2.01Å
45D92.3Very high82.6Confident90 Ų9095.5 Ų95.548%0.48151%0.511SS..EExtended strand (participates in β ladder)trans-82.9-32.6179.8-59.7-12.7000111.2R55 S57D45-R55 PolarHBondContact N-O 3.04Å; D45-S57 PolarHBondContact OD1-OG 2.97Å; D45-S57 WeakPolarHBondContact OD2-CA 3.26Å
46L91.7Very high84.8Confident98 Ų9888.9 Ų88.951%0.51348%0.481SS..EExtended strand (participates in β ladder)trans-139.6124.5178.7-175.970.3000110.2C44 C53 L54 R55C44-L46 PolarHBondContact SG-O 3.13Å; L46-C53 PolarHBondContact O-SG 3.19Å; L46-L54 HydrophobicContact CB-CB 4.47Å; L46-L54 HydrophobicContact CD2-CB 4.11Å; L46-L54 HydrophobicContact CD2-CD1 4.09Å; L46-L54 HydrophobicContact CG-CB 4.2Å; L46-L54 HydrophobicContact CG-CD1 4.18Å; L46-L54 WeakPolarHBondContact O-CA 3.27Å; L46-L54 WeakPolarHBondContact O-CB 3.39Å; L46-L54 PolarHBondContact O-N 3.45Å; L46-R55 HydrophobicContact CB-CB 3.96Å; L46-R55 PolarHBondContact N-O 2.83Å; L46-R55 PolarHBondContact O-N 2.61Å
47C93.3Very high86.9Confident47 Ų4782.8 Ų82.832%0.31845%0.452SS..EExtended strand (participates in β ladder)trans-132.5164.2179.563.20000112.3C40 G52C40-C47 WeakPolarHBondContact CA-SG 3.33Å; C40-C47 HydrophobicContact CB-CB 3.62Å; C40-C47 WeakPolarHBondContact CB-SG 3.44Å; C40-C47 WeakPolarHBondContact SG-CB 3Å; C40-C47 PolarHBondContact SG-N 2.9Å; C40-C47 CovalentContact SG-SG 2.03Å; C40-C47 PolarHBondContact SG-SG 2.92Å; C47-G52 CarbonylContact C-O 3.57Å; C47-G52 VanDerWaalsContact CA-O 3.24Å; C47-G52 WeakPolarHBondContact CA-O 3.01Å; C47-G52 WeakPolarHBondContact CB-O 2.97Å
48S91.2Very high88.7Confident42 Ų4283 Ų8329%0.29445%0.451SS..EExtended strand (participates in β ladder)trans-134.2148.9171.9171.90000108.7F50 G52S48-F50 PolarHBondContact O-N 3.35Å; S48-G52 PolarHBondContact N-O 3.48Å; S48-G52 WeakPolarHBondContact O-CA 3.39Å; S48-G52 PolarHBondContact O-N 2.87Å
49E86.9Confident89.9Confident179 Ų17982.7 Ų82.784%0.83645%0.447SS*.THydrogen-bonded Turntrans-58.8-31.1178.5-64.1-178.7171.400113
50F87.4Confident90.9Very high125 Ų12581.8 Ų81.855%0.54843%0.428SS..THydrogen-bonded Turntrans-99.3-32-173.8-58-69000114.3S48S48-F50 PolarHBondContact O-N 3.35Å
51N91.5Very high91.5Very high81 Ų8180.5 Ų80.543%0.43342%0.417SS..THydrogen-bonded Turntrans-103.51.5-175.5-63.3-38.1000112.5L54 I72 G73N51-L54 HydrophobicContact CB-CD2 3.76Å; N51-I72 CarbonylContact O-C 3.59Å; N51-I72 WeakPolarHBondContact O-CA 3.4Å; N51-G73 PolarHBondContact O-N 3.05Å
52G91.9Very high91.9Very high21 Ų2177.2 Ų77.222%0.21639%0.389CS..EExtended strand (participates in β ladder)trans62.9-136-17300000111.4C47 S48C47-G52 CarbonylContact C-O 3.57Å; C47-G52 VanDerWaalsContact CA-O 3.24Å; C47-G52 WeakPolarHBondContact CA-O 3.01Å; C47-G52 WeakPolarHBondContact CB-O 2.97Å; S48-G52 PolarHBondContact N-O 3.48Å; S48-G52 WeakPolarHBondContact O-CA 3.39Å; S48-G52 PolarHBondContact O-N 2.87Å
53C93.6Very high92.3Very high10 Ų1066 Ų667%0.06835%0.347CS..EExtended strand (participates in β ladder)trans-77.2128.4179-165.30000112.5C44 L46 R55 I62 G73 C75C44-C53 VanDerWaalsContact CA-SG 3.55Å; C44-C53 HydrophobicContact CB-CB 3.84Å; C44-C53 WeakPolarHBondContact CB-SG 3.4Å; C44-C53 WeakPolarHBondContact SG-CA 3.42Å; C44-C53 WeakPolarHBondContact SG-CB 3.47Å; C44-C53 CovalentContact SG-SG 2.02Å; C44-C53 PolarHBondContact SG-SG 2.01Å; L46-C53 PolarHBondContact O-SG 3.19Å; C53-R55 PolarHBondContact SG-O 2.87Å; C53-I62 WeakPolarHBondContact O-CD1 3.21Å; C53-G73 WeakPolarHBondContact CB-O 3.46Å; C53-G73 PolarHBondContact N-O 2.87Å; C53-G73 WeakPolarHBondContact O-CA 3.22Å; C53-C75 PolarHBondContact SG-SG 2.91Å
54L92Very high92.5Very high81 Ų8168.7 Ų68.742%0.42436%0.355SS..EExtended strand (participates in β ladder)trans-92.7-35.7173.9-56.3-179.9000111.5L46 N51L46-L54 HydrophobicContact CB-CB 4.47Å; L46-L54 HydrophobicContact CD2-CB 4.11Å; L46-L54 HydrophobicContact CD2-CD1 4.09Å; L46-L54 HydrophobicContact CG-CB 4.2Å; L46-L54 HydrophobicContact CG-CD1 4.18Å; L46-L54 WeakPolarHBondContact O-CA 3.27Å; L46-L54 WeakPolarHBondContact O-CB 3.39Å; L46-L54 PolarHBondContact O-N 3.45Å; N51-L54 HydrophobicContact CB-CD2 3.76Å
55R92.6Very high92.5Very high147 Ų14772.3 Ų72.356%0.55537%0.371SS*.EExtended strand (participates in β ladder)trans-139.1118179.1-167.9178.6-173.2169.23.6111.6D45 L46 C53D45-R55 PolarHBondContact N-O 3.04Å; L46-R55 HydrophobicContact CB-CB 3.96Å; L46-R55 PolarHBondContact N-O 2.83Å; L46-R55 PolarHBondContact O-N 2.61Å; C53-R55 PolarHBondContact SG-O 2.87Å
56C94.6Very high92.4Very high9 Ų977.4 Ų77.46%0.06138%0.383CS..EExtended strand (participates in β ladder)trans-82.6154.3173.2-58.80000111.6G43 L60 C75G43-C56 WeakPolarHBondContact O-CA 3.41Å; C56-L60 HydrophobicContact CB-CB 4.09Å; C56-C75 WeakPolarHBondContact CA-SG 3.49Å; C56-C75 HydrophobicContact CB-CB 3.81Å; C56-C75 WeakPolarHBondContact CB-SG 3.32Å; C56-C75 WeakPolarHBondContact SG-CA 2.93Å; C56-C75 WeakPolarHBondContact SG-CB 3.24Å; C56-C75 CovalentContact SG-SG 2.03Å; C56-C75 PolarHBondContact SG-SG 3.47Å
57S92.9Very high92.1Very high32 Ų3276.7 Ų76.722%0.22438%0.38CS..  trans-57.2148.8169.2-51.10000110.8G43 D45 K59 L60G43-S57 PolarHBondContact O-N 2.89Å; G43-S57 PolarHBondContact O-OG 2.99Å; D45-S57 PolarHBondContact OD1-OG 2.97Å; D45-S57 WeakPolarHBondContact OD2-CA 3.26Å; S57-K59 PolarHBondContact O-N 2.93Å; S57-L60 PolarHBondContact O-N 3.47Å
58P89.8Confident91.7Very high111 Ų11181.5 Ų81.572%0.72140%0.403SS*.THydrogen-bonded Turntrans-62.1-15.7-163.219-32.3000116.5N92P58-N92 PolarHBondContact O-ND2 2.81Å
59K91.3Very high91.5Very high190 Ų19087.5 Ų87.583%0.82643%0.43SS*.THydrogen-bonded Turntrans-91.4-12.9176.8-65-174.5-179.2179.50113.8S57S57-K59 PolarHBondContact O-N 2.93Å
60L95.4Very high91.5Very high37 Ų3786 Ų8619%0.19442%0.416CS..SBendtrans-97.2160.9-175.9-57.4180000110.8G43 C56 S57 C75 L76 P77 N92G43-L60 WeakPolarHBondContact O-CD1 3.45Å; C56-L60 HydrophobicContact CB-CB 4.09Å; S57-L60 PolarHBondContact O-N 3.47Å; L60-C75 HydrophobicContact CB-CB 4.34Å; L60-C75 HydrophobicContact CD1-CB 3.98Å; L60-L76 WeakPolarHBondContact CA-O 3.49Å; L60-P77 HydrophobicContact CD2-CB 4.16Å; L60-N92 WeakPolarHBondContact O-CB 3.04Å; L60-N92 PolarHBondContact O-ND2 3.38Å
61F96.3Very high91.6Very high20 Ų2085 Ų859%0.08841%0.413CS..EExtended strand (participates in β ladder)trans-105.5133.7174.3-62.9-97.9000109.7C75 L76 R87 N92 C94F61-C75 WeakPolarHBondContact O-CA 3.29Å; F61-L76 PolarHBondContact N-O 2.65Å; F61-L76 PolarHBondContact O-N 3.4Å; F61-R87 HydrophobicContact CE1-CG 4.1Å; F61-R87 HydrophobicContact CZ-CG 4.26Å; F61-N92 CarbonylContact C-O 3.51Å; F61-N92 WeakPolarHBondContact CA-O 3.3Å; F61-N92 HydrophobicContact CB-CB 4.46Å; F61-N92 HydrophobicContact CD1-CB 3.37Å; F61-N92 HydrophobicContact CE1-CB 3.62Å; F61-N92 HydrophobicContact CG-CB 3.92Å; F61-N92 HydrophobicContact CZ-CB 4.36Å; F61-C94 WeakPolarHBondContact CB-SG 3.43Å
62I95.3Very high91.7Very high9 Ų983.6 Ų83.65%0.04641%0.405CS..EExtended strand (participates in β ladder)trans-82.1127.9168.9-163.8168.3000109.8C53 L64 I74 M91 N92 K93 C94C53-I62 WeakPolarHBondContact O-CD1 3.21Å; I62-L64 HydrophobicContact CD1-CD2 4.17Å; I62-L64 HydrophobicContact CG1-CD2 4.3Å; I62-I74 CarbonylContact C-O 3.51Å; I62-I74 WeakPolarHBondContact CA-O 3.32Å; I62-M91 HydrophobicContact CB-CE 3.98Å; I62-M91 HydrophobicContact CD1-CE 3.73Å; I62-M91 HydrophobicContact CG1-CE 4.48Å; I62-M91 HydrophobicContact CG2-CE 3.5Å; I62-M91 VanDerWaalsContact CG2-CE 3.5Å; I62-M91 HydrophobicContact CG2-SD 4.37Å; I62-N92 PolarHBondContact N-O 3.32Å; I62-K93 HydrophobicContact CG2-CB 4.22Å; I62-K93 HydrophobicContact CG2-CG 3.73Å; I62-K93 CarbonylContact O-C 3.54Å; I62-K93 WeakPolarHBondContact O-CA 3.25Å; I62-C94 PolarHBondContact O-N 3.24Å
63L95.6Very high91.8Very high17 Ų1782.9 Ų82.99%0.08940%0.398CS..EExtended strand (participates in β ladder)trans-105.9130.2166.4176.766.2000108G73 I74 L76 P80 Y83 C94L63-G73 WeakPolarHBondContact O-CA 3.06Å; L63-I74 PolarHBondContact N-O 3.45Å; L63-I74 PolarHBondContact O-N 2.84Å; L63-L76 HydrophobicContact CB-CD1 4.17Å; L63-L76 HydrophobicContact CD2-CD1 3.92Å; L63-P80 HydrophobicContact CD2-CG 3.99Å; L63-Y83 HydrophobicContact CD1-CD1 3.66Å; L63-Y83 HydrophobicContact CD1-CE1 3.49Å; L63-Y83 VanDerWaalsContact CD1-CE1 3.49Å; L63-Y83 HydrophobicContact CD1-CG 4.3Å; L63-C94 HydrophobicContact CB-CB 4.2Å; L63-C94 HydrophobicContact CD1-CB 3.81Å
64L93.6Very high91.8Very high83 Ų8385.1 Ų85.144%0.43541%0.409SS..EExtended strand (participates in β ladder)trans-98.6101.3174.3-61.4176.1000108.6I62 Q71I62-L64 HydrophobicContact CD1-CD2 4.17Å; I62-L64 HydrophobicContact CG1-CD2 4.3Å; L64-Q71 HydrophobicContact CB-CG 4.01Å; L64-Q71 HydrophobicContact CD2-CG 4.43Å
65E92.4Very high91.9Very high90 Ų9082.4 Ų82.442%0.42140%0.396SS..EExtended strand (participates in β ladder)trans-85133.8176.1-170.5166.4-138.600109.6Q71 I72 I74E65-Q71 WeakPolarHBondContact O-CA 3.46Å; E65-I72 PolarHBondContact N-O 3.03Å; E65-I72 PolarHBondContact O-N 3.08Å; E65-I74 HydrophobicContact CB-CD1 4.17Å; E65-I74 VanDerWaalsContact OE2-CD1 3.25Å; E65-I74 WeakPolarHBondContact OE2-CD1 3.42Å
66R91.2Very high92.1Very high197 Ų19777.7 Ų77.774%0.74338%0.381SS*.EExtended strand (participates in β ladder)trans-110.2111.7-178.4-169.7-178.4-165.6165.98.9109.3D68 R70R66-D68 PolarHBondContact NE-O 2.86Å; R66-R70 WeakPolarHBondContact CA-O 3.3Å
67N85.9Confident92.1Very high82 Ų8281.9 Ų81.944%0.43941%0.408SS..EExtended strand (participates in β ladder)trans-111.192.3172.8-64.6-15.2000106.8I69 R70N67-I69 PolarHBondContact O-N 3.4Å; N67-I69 VanDerWaalsContact O-N 3.09Å; N67-R70 PolarHBondContact N-O 3.4Å; N67-R70 PolarHBondContact O-N 3.46Å
68D84.3Confident92.1Very high149 Ų14984.6 Ų84.680%0.79743%0.428SS*.THydrogen-bonded Turntrans57.7-104.2-175.5-54.1-52.6000113.8R66R66-D68 PolarHBondContact NE-O 2.86Å
69I86.9Confident92.4Very high168 Ų16880.8 Ų80.886%0.86240%0.403SS*.THydrogen-bonded Turntrans-87.9-20.9-178.2-51.1173000110.6N67N67-I69 PolarHBondContact O-N 3.4Å; N67-I69 VanDerWaalsContact O-N 3.09Å
70R86.1Confident92.5Very high146 Ų14674.2 Ų74.255%0.55138%0.38SS*.EExtended strand (participates in β ladder)trans-92140.9-175.6-62.1-178.6-173.9-95.50.6110.7R66 N67R66-R70 WeakPolarHBondContact CA-O 3.3Å; N67-R70 PolarHBondContact N-O 3.4Å; N67-R70 PolarHBondContact O-N 3.46Å
71Q91Very high92.3Very high104 Ų10479 Ų7949%0.48641%0.405SS..EExtended strand (participates in β ladder)trans-121.1117.8171.5-173.1171.838.200108.4L64 E65L64-Q71 HydrophobicContact CB-CG 4.01Å; L64-Q71 HydrophobicContact CD2-CG 4.43Å; E65-Q71 WeakPolarHBondContact O-CA 3.46Å
72I92.4Very high92Very high53 Ų5379.1 Ų79.127%0.27241%0.412SS..EExtended strand (participates in β ladder)trans-115.7128.1-174.3-58.9174.5000108.5N51 E65 I74N51-I72 CarbonylContact O-C 3.59Å; N51-I72 WeakPolarHBondContact O-CA 3.4Å; E65-I72 PolarHBondContact N-O 3.03Å; E65-I72 PolarHBondContact O-N 3.08Å; I72-I74 HydrophobicContact CG2-CG1 4.49Å
73G93.7Very high92Very high5 Ų582.2 Ų82.25%0.05242%0.423CS..EExtended strand (participates in β ladder)trans-86.5129.6175.300000112.3N51 C53 L63N51-G73 PolarHBondContact O-N 3.05Å; C53-G73 WeakPolarHBondContact CB-O 3.46Å; C53-G73 PolarHBondContact N-O 2.87Å; C53-G73 WeakPolarHBondContact O-CA 3.22Å; L63-G73 WeakPolarHBondContact O-CA 3.06Å
74I93.7Very high92Very high58 Ų5882 Ų8230%0.29742%0.422SS..EExtended strand (participates in β ladder)trans-124.8133.6179.9-55.7173.6000108.4I62 L63 E65 I72 L76I62-I74 CarbonylContact C-O 3.51Å; I62-I74 WeakPolarHBondContact CA-O 3.32Å; L63-I74 PolarHBondContact N-O 3.45Å; L63-I74 PolarHBondContact O-N 2.84Å; E65-I74 HydrophobicContact CB-CD1 4.17Å; E65-I74 VanDerWaalsContact OE2-CD1 3.25Å; E65-I74 WeakPolarHBondContact OE2-CD1 3.42Å; I72-I74 HydrophobicContact CG2-CG1 4.49Å; I74-L76 HydrophobicContact CG2-CD2 4.1Å; I74-L76 HydrophobicContact CG2-CG 4.28Å
75C95.6Very high92Very high24 Ų2479.8 Ų79.816%0.16242%0.419CS..EExtended strand (participates in β ladder)trans-95124.1177.9-58.30000111C53 C56 L60 F61C53-C75 PolarHBondContact SG-SG 2.91Å; C56-C75 WeakPolarHBondContact CA-SG 3.49Å; C56-C75 HydrophobicContact CB-CB 3.81Å; C56-C75 WeakPolarHBondContact CB-SG 3.32Å; C56-C75 WeakPolarHBondContact SG-CA 2.93Å; C56-C75 WeakPolarHBondContact SG-CB 3.24Å; C56-C75 CovalentContact SG-SG 2.03Å; C56-C75 PolarHBondContact SG-SG 3.47Å; L60-C75 HydrophobicContact CB-CB 4.34Å; L60-C75 HydrophobicContact CD1-CB 3.98Å; F61-C75 WeakPolarHBondContact O-CA 3.29Å
76L95.3Very high92.1Very high47 Ų4778.5 Ų78.525%0.24642%0.415CS..EExtended strand (participates in β ladder)trans-125.5146.3-178.2-61.9175.3000111.3L60 F61 L63 I74 S78 P80L60-L76 WeakPolarHBondContact CA-O 3.49Å; F61-L76 PolarHBondContact N-O 2.65Å; F61-L76 PolarHBondContact O-N 3.4Å; L63-L76 HydrophobicContact CB-CD1 4.17Å; L63-L76 HydrophobicContact CD2-CD1 3.92Å; I74-L76 HydrophobicContact CG2-CD2 4.1Å; I74-L76 HydrophobicContact CG2-CG 4.28Å; L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 WeakPolarHBondContact CB-O 3.32Å; L76-P80 HydrophobicContact CD1-CG 4.5Å
77P94.7Very high92.2Very high97 Ų9778.6 Ų78.663%0.6342%0.415SS*.SBendtrans-70-31.6173.628.2-33.6000112.3L60L60-P77 HydrophobicContact CD2-CB 4.16Å
78S94.3Very high92.3Very high90 Ų9078 Ų7863%0.62941%0.412SS*.SBendtrans-141.2146.3178.3-62.90000109.6L76L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 WeakPolarHBondContact CB-O 3.32Å
79C94.8Very high92.5Very high30 Ų3077.5 Ų77.520%0.20341%0.414CS..PPolyproline II helixtrans-71.5144.1178.1-630000111.7G85 C94C79-G85 WeakPolarHBondContact SG-CA 3.39Å; C79-C94 WeakPolarHBondContact CA-SG 3.28Å; C79-C94 HydrophobicContact CB-CB 3.86Å; C79-C94 WeakPolarHBondContact CB-SG 3.4Å; C79-C94 WeakPolarHBondContact SG-CA 3.21Å; C79-C94 WeakPolarHBondContact SG-CB 3.29Å; C79-C94 CovalentContact SG-SG 2.04Å; C79-C94 PolarHBondContact SG-SG 2.78Å
80P94.2Very high92.5Very high52 Ų5275.6 Ų75.634%0.33841%0.406SS..PPolyproline II helixtrans-70.9170.117929.7-34.5000112.2L63 L76 Y83L63-P80 HydrophobicContact CD2-CG 3.99Å; L76-P80 HydrophobicContact CD1-CG 4.5Å; P80-Y83 HydrophobicContact CG-CD2 3.76Å; P80-Y83 HydrophobicContact CG-CE2 4.34Å; P80-Y83 HydrophobicContact CG-CG 4.22Å; P80-Y83 WeakPolarHBondContact O-CB 3.29Å; P80-Y83 PolarHBondContact O-N 2.77Å
81L90.8Very high92.6Very high138 Ų13870.7 Ų70.772%0.72339%0.389SS*.THydrogen-bonded Turntrans-55.1140.7176.8-66.4175.6000111.5Y83L81-Y83 PolarHBondContact O-N 2.85Å
82G90.7Very high92.8Very high22 Ų2266.7 Ų66.723%0.22737%0.371CS..THydrogen-bonded Turntrans75.45-172.900000115C97 E103G82-C97 WeakPolarHBondContact O-CB 3.28Å; G82-C97 PolarHBondContact O-N 2.03Å; G82-C97 PolarHBondContact O-SG 2.69Å; G82-C97 VanDerWaalsContact O-SG 3.35Å; G82-E103 PolarHBondContact N-O 2.83Å
83Y93.9Very high92.9Very high74 Ų7467.9 Ų67.929%0.2938%0.375SS..EExtended strand (participates in β ladder)trans-123.8148171.3-66.4-104.6000110.9L63 P80 L81 C94 I95 K96L63-Y83 HydrophobicContact CD1-CD1 3.66Å; L63-Y83 HydrophobicContact CD1-CE1 3.49Å; L63-Y83 VanDerWaalsContact CD1-CE1 3.49Å; L63-Y83 HydrophobicContact CD1-CG 4.3Å; P80-Y83 HydrophobicContact CG-CD2 3.76Å; P80-Y83 HydrophobicContact CG-CE2 4.34Å; P80-Y83 HydrophobicContact CG-CG 4.22Å; P80-Y83 WeakPolarHBondContact O-CB 3.29Å; P80-Y83 PolarHBondContact O-N 2.77Å; L81-Y83 PolarHBondContact O-N 2.85Å; Y83-C94 HydrophobicContact CD1-CB 4.24Å; Y83-I95 CarbonylContact C-O 3.55Å; Y83-I95 VanDerWaalsContact CA-O 3.26Å; Y83-I95 WeakPolarHBondContact CA-O 3.46Å; Y83-K96 HydrophobicContact CD1-CB 3.97Å; Y83-K96 VanDerWaalsContact CD1-N 3.32Å; Y83-K96 HydrophobicContact CE1-CB 3.65Å; Y83-K96 HydrophobicContact CE1-CG 4.19Å
84F95.5Very high93Very high14 Ų1468.1 Ų68.16%0.06138%0.375CS..EExtended strand (participates in β ladder)trans-117145.2171.271.6-83000110.5I95 C105 F106 R108F84-I95 HydrophobicContact CD1-CB 4.19Å; F84-I95 WeakPolarHBondContact CD1-O 2.78Å; F84-I95 HydrophobicContact CE1-CB 3.69Å; F84-I95 HydrophobicContact CE1-CG2 3.64Å; F84-I95 HydrophobicContact CE2-CB 4.3Å; F84-I95 HydrophobicContact CZ-CB 3.75Å; F84-I95 HydrophobicContact CZ-CG1 4.46Å; F84-I95 HydrophobicContact CZ-CG2 3.78Å; F84-I95 PolarHBondContact N-O 3.26Å; F84-I95 PolarHBondContact O-N 3.48Å; F84-C105 WeakPolarHBondContact CB-O 3.44Å; F84-C105 WeakPolarHBondContact CD1-SG 3.24Å; F84-F106 WeakPolarHBondContact CD2-O 3.47Å; F84-R108 HydrophobicContact CE1-CB 4.4Å; F84-R108 HydrophobicContact CZ-CB 3.99Å
85G94.7Very high93Very high36 Ų3667.6 Ų67.637%0.37137%0.373SS..EExtended strand (participates in β ladder)trans-81.4123.7178.200000111.4C79C79-G85 WeakPolarHBondContact SG-CA 3.39Å
86L94.1Very high92.9Very high63 Ų6373 Ų7333%0.3339%0.394SS..EExtended strand (participates in β ladder)trans-107119.9171.6-173.770000109.1N88 N92 K93 I95L86-N88 WeakPolarHBondContact CG-OD1 3.4Å; L86-N92 CarbonylContact O-C 3.51Å; L86-N92 VanDerWaalsContact O-CA 3.26Å; L86-N92 WeakPolarHBondContact O-CA 3.5Å; L86-K93 PolarHBondContact N-O 2.63Å; L86-K93 PolarHBondContact O-N 3.44Å; L86-I95 HydrophobicContact CB-CG1 4.21Å; L86-I95 HydrophobicContact CD2-CG1 4.48Å
87R92.9Very high92.8Very high199 Ų19971.7 Ų71.775%0.75139%0.388SS*.EExtended strand (participates in β ladder)trans-92.3111.3174.8-64-173.1175.5145.70.1109.4F61 N92F61-R87 HydrophobicContact CE1-CG 4.1Å; F61-R87 HydrophobicContact CZ-CG 4.26Å; R87-N92 WeakPolarHBondContact CA-OD1 3.47Å; R87-N92 WeakPolarHBondContact CB-OD1 3.41Å; R87-N92 HydrophobicContact CG-CB 4.49Å; R87-N92 WeakPolarHBondContact CG-OD1 3.06Å
88N89.3Confident92.7Very high70 Ų7074.6 Ų74.637%0.37439%0.391SS..  trans-107164.3171.9-69.9-5.3000109.9L86 D90 M91L86-N88 WeakPolarHBondContact CG-OD1 3.4Å; N88-D90 PolarHBondContact O-N 2.04Å; N88-M91 WeakPolarHBondContact CB-O 3.05Å
89T88.6Confident92.6Very high138 Ų13871.6 Ų71.685%0.84737%0.367SS*.SBendtrans-56.9-34.6173.246.40000112.7
90D85.4Confident92.5Very high127 Ų12777.8 Ų77.868%0.67939%0.393SS*.SBendtrans-87.9-43.9-170.9-45.7-31.5000111.6N88N88-D90 PolarHBondContact O-N 2.04Å
91M89.3Confident92.4Very high43 Ų4378.5 Ų78.521%0.21239%0.394CS..  trans-167.7149.9178.664.7-166.5-45.600111I62 N88 K93I62-M91 HydrophobicContact CB-CE 3.98Å; I62-M91 HydrophobicContact CD1-CE 3.73Å; I62-M91 HydrophobicContact CG1-CE 4.48Å; I62-M91 HydrophobicContact CG2-CE 3.5Å; I62-M91 VanDerWaalsContact CG2-CE 3.5Å; I62-M91 HydrophobicContact CG2-SD 4.37Å; N88-M91 WeakPolarHBondContact CB-O 3.05Å; M91-K93 HydrophobicContact CG-CD 4.38Å; M91-K93 VanDerWaalsContact CG-CE 3.41Å; M91-K93 HydrophobicContact CG-CG 4Å; M91-K93 WeakPolarHBondContact SD-CE 3Å
92N94.6Very high92.5Very high20 Ų2072.6 Ų72.611%0.10736%0.364CS..EExtended strand (participates in β ladder)trans-81.8136.4172.7-41.1-59.3000110P58 L60 F61 I62 L86 R87P58-N92 PolarHBondContact O-ND2 2.81Å; L60-N92 WeakPolarHBondContact O-CB 3.04Å; L60-N92 PolarHBondContact O-ND2 3.38Å; F61-N92 CarbonylContact C-O 3.51Å; F61-N92 WeakPolarHBondContact CA-O 3.3Å; F61-N92 HydrophobicContact CB-CB 4.46Å; F61-N92 HydrophobicContact CD1-CB 3.37Å; F61-N92 HydrophobicContact CE1-CB 3.62Å; F61-N92 HydrophobicContact CG-CB 3.92Å; F61-N92 HydrophobicContact CZ-CB 4.36Å; I62-N92 PolarHBondContact N-O 3.32Å; L86-N92 CarbonylContact O-C 3.51Å; L86-N92 VanDerWaalsContact O-CA 3.26Å; L86-N92 WeakPolarHBondContact O-CA 3.5Å; R87-N92 WeakPolarHBondContact CA-OD1 3.47Å; R87-N92 WeakPolarHBondContact CB-OD1 3.41Å; R87-N92 HydrophobicContact CG-CB 4.49Å; R87-N92 WeakPolarHBondContact CG-OD1 3.06Å
93K94.7Very high92.6Very high78 Ų7874.5 Ų74.534%0.33937%0.368SS..EExtended strand (participates in β ladder)trans-125.9143.8-176.4-58.2-173.2176.5-179.50111.1I62 L86 M91 I95I62-K93 HydrophobicContact CG2-CB 4.22Å; I62-K93 HydrophobicContact CG2-CG 3.73Å; I62-K93 CarbonylContact O-C 3.54Å; I62-K93 WeakPolarHBondContact O-CA 3.25Å; L86-K93 PolarHBondContact N-O 2.63Å; L86-K93 PolarHBondContact O-N 3.44Å; M91-K93 HydrophobicContact CG-CD 4.38Å; M91-K93 VanDerWaalsContact CG-CE 3.41Å; M91-K93 HydrophobicContact CG-CG 4Å; M91-K93 WeakPolarHBondContact SD-CE 3Å; K93-I95 HydrophobicContact CB-CD1 4.16Å
94C95.6Very high92.5Very high10 Ų1072.5 Ų72.57%0.06836%0.364CS..EExtended strand (participates in β ladder)trans-87.9121.5166.4-66.20000109.8F61 I62 L63 C79 Y83F61-C94 WeakPolarHBondContact CB-SG 3.43Å; I62-C94 PolarHBondContact O-N 3.24Å; L63-C94 HydrophobicContact CB-CB 4.2Å; L63-C94 HydrophobicContact CD1-CB 3.81Å; C79-C94 WeakPolarHBondContact CA-SG 3.28Å; C79-C94 HydrophobicContact CB-CB 3.86Å; C79-C94 WeakPolarHBondContact CB-SG 3.4Å; C79-C94 WeakPolarHBondContact SG-CA 3.21Å; C79-C94 WeakPolarHBondContact SG-CB 3.29Å; C79-C94 CovalentContact SG-SG 2.04Å; C79-C94 PolarHBondContact SG-SG 2.78Å; Y83-C94 HydrophobicContact CD1-CB 4.24Å
95I93.9Very high92.4Very high48 Ų4872.3 Ų72.325%0.24637%0.365CS..EExtended strand (participates in β ladder)trans-113.6131.9-179.5-55.6-61000109.1Y83 F84 L86 K93 C97Y83-I95 CarbonylContact C-O 3.55Å; Y83-I95 VanDerWaalsContact CA-O 3.26Å; Y83-I95 WeakPolarHBondContact CA-O 3.46Å; F84-I95 HydrophobicContact CD1-CB 4.19Å; F84-I95 WeakPolarHBondContact CD1-O 2.78Å; F84-I95 HydrophobicContact CE1-CB 3.69Å; F84-I95 HydrophobicContact CE1-CG2 3.64Å; F84-I95 HydrophobicContact CE2-CB 4.3Å; F84-I95 HydrophobicContact CZ-CB 3.75Å; F84-I95 HydrophobicContact CZ-CG1 4.46Å; F84-I95 HydrophobicContact CZ-CG2 3.78Å; F84-I95 PolarHBondContact N-O 3.26Å; F84-I95 PolarHBondContact O-N 3.48Å; L86-I95 HydrophobicContact CB-CG1 4.21Å; L86-I95 HydrophobicContact CD2-CG1 4.48Å; K93-I95 HydrophobicContact CB-CD1 4.16Å; I95-C97 PolarHBondContact O-N 3.32Å
96K93.1Very high92.4Very high137 Ų13777.8 Ų77.860%0.59638%0.379SS*.EExtended strand (participates in β ladder)trans-63.9135178.7-165.9173.1-178175.10110.8Y83 K98Y83-K96 HydrophobicContact CD1-CB 3.97Å; Y83-K96 VanDerWaalsContact CD1-N 3.32Å; Y83-K96 HydrophobicContact CE1-CB 3.65Å; Y83-K96 HydrophobicContact CE1-CG 4.19Å; K96-K98 PolarHBondContact O-N 2.93Å
97C93.8Very high92.3Very high19 Ų1976.6 Ų76.613%0.12838%0.376CS..  trans-59.5129.2171.9-63.40000109.6G82 I95 C105G82-C97 WeakPolarHBondContact O-CB 3.28Å; G82-C97 PolarHBondContact O-N 2.03Å; G82-C97 PolarHBondContact O-SG 2.69Å; G82-C97 VanDerWaalsContact O-SG 3.35Å; I95-C97 PolarHBondContact O-N 3.32Å; C97-C105 WeakPolarHBondContact CA-SG 3.39Å; C97-C105 HydrophobicContact CB-CB 3.95Å; C97-C105 WeakPolarHBondContact CB-SG 3.39Å; C97-C105 WeakPolarHBondContact SG-CB 3.35Å; C97-C105 PolarHBondContact SG-N 2.87Å; C97-C105 VanDerWaalsContact SG-N 3.45Å; C97-C105 CovalentContact SG-SG 2.03Å; C97-C105 PolarHBondContact SG-SG 2.85Å
98K92.9Very high92.1Very high158 Ų15874 Ų7469%0.68737%0.366SS*.  trans-105.33.3177-65-170.8177.7-171.30113K96K96-K98 PolarHBondContact O-N 2.93Å
99I93.1Very high92.2Very high27 Ų2775.7 Ų75.714%0.13838%0.375CS..SBendtrans-81.5130-178.5-52171.4000108.2C102 C105 R108 F110 C111I99-C102 HydrophobicContact CB-CB 3.75Å; I99-C102 HydrophobicContact CG2-CB 3.94Å; I99-C102 WeakPolarHBondContact O-CB 3.49Å; I99-C105 HydrophobicContact CD1-CB 3.99Å; I99-R108 WeakPolarHBondContact CG1-O 3.04Å; I99-F110 VanDerWaalsContact CD1-C 3.43Å; I99-C111 HydrophobicContact CD1-CB 3.89Å; I99-C111 VanDerWaalsContact CD1-N 3.3Å; I99-C111 HydrophobicContact CG2-CB 4.3Å
100E91.1Very high92.5Very high160 Ų16073.7 Ų73.775%0.74836%0.355SS*.THydrogen-bonded Turntrans-64.9141.8177.7-63.9-174178.800111.3C102E100-C102 PolarHBondContact O-N 3.01Å
101N91.9Very high92.9Very high67 Ų6767.7 Ų67.736%0.35832%0.322SS..THydrogen-bonded Turntrans54.125.3179-56.6-45.2000115.2K115 L118 C125N101-K115 WeakPolarHBondContact O-CG 3.04Å; N101-K115 PolarHBondContact O-N 3.4Å; N101-L118 HydrophobicContact CB-CD1 4Å; N101-L118 HydrophobicContact CB-CD2 3.53Å; N101-L118 HydrophobicContact CB-CG 4.41Å; N101-C125 HydrophobicContact CB-CB 4.26Å; N101-C125 PolarHBondContact O-SG 3.01Å
102C93.6Very high93.1Very high14 Ų1468.8 Ų68.810%0.09533%0.331CS..EExtended strand (participates in β ladder)trans-99.1132.1177.2-172.80000111.1I99 E100 S104 C111I99-C102 HydrophobicContact CB-CB 3.75Å; I99-C102 HydrophobicContact CG2-CB 3.94Å; I99-C102 WeakPolarHBondContact O-CB 3.49Å; E100-C102 PolarHBondContact O-N 3.01Å; C102-S104 VanDerWaalsContact SG-C 3.5Å; C102-S104 PolarHBondContact SG-O 3.33Å; C102-C111 VanDerWaalsContact CA-SG 3.57Å; C102-C111 HydrophobicContact CB-CB 4.02Å; C102-C111 WeakPolarHBondContact CB-SG 2.98Å; C102-C111 VanDerWaalsContact SG-CA 3.6Å; C102-C111 WeakPolarHBondContact SG-CB 3.42Å; C102-C111 CovalentContact SG-SG 2.04Å; C102-C111 PolarHBondContact SG-SG 2.93Å
103E92.7Very high92.9Very high63 Ų6373 Ų7329%0.29435%0.349SS..EExtended strand (participates in β ladder)trans-89.5-46.5176.1-172.7-169.8154.700110.9G82 K113G82-E103 PolarHBondContact N-O 2.83Å; E103-K113 WeakPolarHBondContact CB-O 3.39Å; E103-K113 PolarHBondContact N-O 2.74Å; E103-K113 IonicContact OE1-NZ 2.65Å; E103-K113 PolarHBondContact OE1-NZ 3.15Å; E103-K113 VanDerWaalsContact OE2-CD 3.27Å; E103-K113 WeakPolarHBondContact OE2-CD 3.43Å; E103-K113 WeakPolarHBondContact OE2-CE 2.99Å; E103-K113 IonicContact OE2-NZ 2.88Å; E103-K113 PolarHBondContact OE2-NZ 3.39Å
104S92.1Very high92.8Very high32 Ų3269.7 Ų69.722%0.22434%0.336CS..EExtended strand (participates in β ladder)trans-132.5133.5174.871.50000110.6C102 C111 T112 K113C102-S104 VanDerWaalsContact SG-C 3.5Å; C102-S104 PolarHBondContact SG-O 3.33Å; S104-C111 PolarHBondContact O-SG 3.09Å; S104-T112 VanDerWaalsContact C-OG1 3.3Å; S104-T112 PolarHBondContact O-N 2.96Å; S104-T112 PolarHBondContact O-OG1 2.9Å; S104-T112 PolarHBondContact OG-OG1 2.86Å; S104-K113 PolarHBondContact N-O 2.98Å; S104-K113 VanDerWaalsContact N-O 3.14Å; S104-K113 PolarHBondContact O-N 3.47Å; S104-K113 VanDerWaalsContact O-N 3.08Å; S104-K113 WeakPolarHBondContact OG-CB 3.41Å; S104-K113 PolarHBondContact OG-N 2.78Å
105C94.4Very high92.7Very high10 Ų1074.4 Ų74.47%0.06836%0.355CS..EExtended strand (participates in β ladder)trans-120.3146176.570.40000110.7F84 C97 I99 F110F84-C105 WeakPolarHBondContact CB-O 3.44Å; F84-C105 WeakPolarHBondContact CD1-SG 3.24Å; C97-C105 WeakPolarHBondContact CA-SG 3.39Å; C97-C105 HydrophobicContact CB-CB 3.95Å; C97-C105 WeakPolarHBondContact CB-SG 3.39Å; C97-C105 WeakPolarHBondContact SG-CB 3.35Å; C97-C105 PolarHBondContact SG-N 2.87Å; C97-C105 VanDerWaalsContact SG-N 3.45Å; C97-C105 CovalentContact SG-SG 2.03Å; C97-C105 PolarHBondContact SG-SG 2.85Å; I99-C105 HydrophobicContact CD1-CB 3.99Å; C105-F110 CarbonylContact C-O 3.59Å; C105-F110 WeakPolarHBondContact CA-O 3.43Å; C105-F110 WeakPolarHBondContact CB-O 3.41Å
106F93.1Very high92.5Very high151 Ų15180.6 Ų80.666%0.66238%0.383SS*.EExtended strand (participates in β ladder)trans-85.6-36.6172.5175.9-102000111.2F84 F110 T112F84-F106 WeakPolarHBondContact CD2-O 3.47Å; F106-F110 HydrophobicContact CB-CD1 4.03Å; F106-F110 PolarHBondContact N-O 3.06Å; F106-T112 HydrophobicContact CB-CG2 3.71Å
107S92.1Very high92.2Very high38 Ų3876.6 Ų76.627%0.26638%0.381SS..EExtended strand (participates in β ladder)trans-141.4179.4178.877.40000110.7N109 F110S107-N109 PolarHBondContact O-N 3.06Å; S107-N109 VanDerWaalsContact O-N 3.11Å; S107-N109 PolarHBondContact OG-N 2.96Å; S107-F110 PolarHBondContact N-O 3.16Å; S107-F110 PolarHBondContact O-N 3.14Å; S107-F110 VanDerWaalsContact OG-CB 3.24Å; S107-F110 WeakPolarHBondContact OG-CB 3.04Å; S107-F110 PolarHBondContact OG-N 3.03Å; S107-F110 VanDerWaalsContact OG-N 3.16Å
108R90.1Very high92.1Very high144 Ų14476.7 Ų76.754%0.54338%0.38SS..THydrogen-bonded Turntrans-56.8-28.3176.8-169-179.9-66.5163.71.3113.4F84 I99F84-R108 HydrophobicContact CE1-CB 4.4Å; F84-R108 HydrophobicContact CZ-CB 3.99Å; I99-R108 WeakPolarHBondContact CG1-O 3.04Å
109N91.1Very high92Very high106 Ų10673 Ų7357%0.56736%0.362SS*.THydrogen-bonded Turntrans-119.6-1.2-173.7-62.7-25.5000113.5S107S107-N109 PolarHBondContact O-N 3.06Å; S107-N109 VanDerWaalsContact O-N 3.11Å; S107-N109 PolarHBondContact OG-N 2.96Å
110F94.3Very high91.9Very high96 Ų9672.9 Ų72.942%0.42136%0.362SS..EExtended strand (participates in β ladder)trans-124.9108-175.2-163.1-81.9000110.6I99 C105 F106 S107 T112I99-F110 VanDerWaalsContact CD1-C 3.43Å; C105-F110 CarbonylContact C-O 3.59Å; C105-F110 WeakPolarHBondContact CA-O 3.43Å; C105-F110 WeakPolarHBondContact CB-O 3.41Å; F106-F110 HydrophobicContact CB-CD1 4.03Å; F106-F110 PolarHBondContact N-O 3.06Å; S107-F110 PolarHBondContact N-O 3.16Å; S107-F110 PolarHBondContact O-N 3.14Å; S107-F110 VanDerWaalsContact OG-CB 3.24Å; S107-F110 WeakPolarHBondContact OG-CB 3.04Å; S107-F110 PolarHBondContact OG-N 3.03Å; S107-F110 VanDerWaalsContact OG-N 3.16Å; F110-T112 HydrophobicContact CD1-CG2 4.31Å; F110-T112 HydrophobicContact CE1-CG2 4.28Å
111C93.9Very high91.9Very high0 Ų066.1 Ų66.10%033%0.33CS..EExtended strand (participates in β ladder)trans-83.2137.1172.3-165.10000110I99 C102 S104 K113 L120 G123I99-C111 HydrophobicContact CD1-CB 3.89Å; I99-C111 VanDerWaalsContact CD1-N 3.3Å; I99-C111 HydrophobicContact CG2-CB 4.3Å; C102-C111 VanDerWaalsContact CA-SG 3.57Å; C102-C111 HydrophobicContact CB-CB 4.02Å; C102-C111 WeakPolarHBondContact CB-SG 2.98Å; C102-C111 VanDerWaalsContact SG-CA 3.6Å; C102-C111 WeakPolarHBondContact SG-CB 3.42Å; C102-C111 CovalentContact SG-SG 2.04Å; C102-C111 PolarHBondContact SG-SG 2.93Å; S104-C111 PolarHBondContact O-SG 3.09Å; C111-K113 VanDerWaalsContact SG-C 3.55Å; C111-K113 PolarHBondContact SG-O 3.04Å; C111-L120 HydrophobicContact CB-CD1 3.99Å; C111-L120 WeakPolarHBondContact O-CD1 3.15Å; C111-G123 VanDerWaalsContact CB-O 3.24Å; C111-G123 WeakPolarHBondContact CB-O 3.35Å; C111-G123 PolarHBondContact N-O 3.14Å
112T92.6Very high91.8Very high66 Ų6669.9 Ų69.941%0.40534%0.343SS..EExtended strand (participates in β ladder)trans-101.1-30.2174.941.40000112S104 F106 F110S104-T112 VanDerWaalsContact C-OG1 3.3Å; S104-T112 PolarHBondContact O-N 2.96Å; S104-T112 PolarHBondContact O-OG1 2.9Å; S104-T112 PolarHBondContact OG-OG1 2.86Å; F106-T112 HydrophobicContact CB-CG2 3.71Å; F110-T112 HydrophobicContact CD1-CG2 4.31Å; F110-T112 HydrophobicContact CE1-CG2 4.28Å
113K91.3Very high91.6Very high108 Ų10869.3 Ų69.347%0.4734%0.34SS..EExtended strand (participates in β ladder)trans-141.6121.8177.5-166.3-176.9174.6-148.90109.9E103 S104 C111E103-K113 WeakPolarHBondContact CB-O 3.39Å; E103-K113 PolarHBondContact N-O 2.74Å; E103-K113 IonicContact OE1-NZ 2.65Å; E103-K113 PolarHBondContact OE1-NZ 3.15Å; E103-K113 VanDerWaalsContact OE2-CD 3.27Å; E103-K113 WeakPolarHBondContact OE2-CD 3.43Å; E103-K113 WeakPolarHBondContact OE2-CE 2.99Å; E103-K113 IonicContact OE2-NZ 2.88Å; E103-K113 PolarHBondContact OE2-NZ 3.39Å; S104-K113 PolarHBondContact N-O 2.98Å; S104-K113 VanDerWaalsContact N-O 3.14Å; S104-K113 PolarHBondContact O-N 3.47Å; S104-K113 VanDerWaalsContact O-N 3.08Å; S104-K113 WeakPolarHBondContact OG-CB 3.41Å; S104-K113 PolarHBondContact OG-N 2.78Å; C111-K113 VanDerWaalsContact SG-C 3.55Å; C111-K113 PolarHBondContact SG-O 3.04Å
114C92.9Very high91.6Very high10 Ų1072.5 Ų72.57%0.06835%0.349CS..EExtended strand (participates in β ladder)trans-80.1159.8173.7-64.10000111L118 L120 C125C114-L118 HydrophobicContact CB-CB 4.06Å; C114-L120 VanDerWaalsContact SG-CD1 3.59Å; C114-C125 WeakPolarHBondContact CA-SG 3.47Å; C114-C125 HydrophobicContact CB-CB 3.75Å; C114-C125 WeakPolarHBondContact CB-SG 3.46Å; C114-C125 WeakPolarHBondContact SG-CA 3.08Å; C114-C125 WeakPolarHBondContact SG-CB 3.42Å; C114-C125 CovalentContact SG-SG 2.02Å; C114-C125 PolarHBondContact SG-SG 2.79Å
115K92.2Very high91.7Very high109 Ų10971.8 Ų71.847%0.47434%0.344SS..PPolyproline II helixtrans-61.3158.3167.4-66.6-180-177.5179.80110.3N101 G117 L118N101-K115 WeakPolarHBondContact O-CG 3.04Å; N101-K115 PolarHBondContact O-N 3.4Å; K115-G117 PolarHBondContact O-N 3.05Å; K115-L118 HydrophobicContact CB-CD1 3.84Å; K115-L118 WeakPolarHBondContact O-CD1 3.27Å; K115-L118 PolarHBondContact O-N 2.83Å
116E90.2Very high91.5Very high177 Ų17775.5 Ų75.583%0.82736%0.357SS*.THydrogen-bonded Turntrans-54.4136.4-179-62.6178.1177.600112L118E116-L118 VanDerWaalsContact C-N 3.34Å
117G87.6Confident91.4Very high54 Ų5473.5 Ų73.556%0.55736%0.357SS*.THydrogen-bonded Turntrans81.56.1179.300000115.2K115K115-G117 PolarHBondContact O-N 3.05Å
118L91.6Very high91.2Very high20 Ų2076.7 Ų76.711%0.10538%0.375CS..  trans-112.7151172-64.5104.6000112N101 C114 K115 E116 C125 Y126 V127N101-L118 HydrophobicContact CB-CD1 4Å; N101-L118 HydrophobicContact CB-CD2 3.53Å; N101-L118 HydrophobicContact CB-CG 4.41Å; C114-L118 HydrophobicContact CB-CB 4.06Å; K115-L118 HydrophobicContact CB-CD1 3.84Å; K115-L118 WeakPolarHBondContact O-CD1 3.27Å; K115-L118 PolarHBondContact O-N 2.83Å; E116-L118 VanDerWaalsContact C-N 3.34Å; L118-C125 HydrophobicContact CB-CB 4.33Å; L118-C125 HydrophobicContact CD2-CB 4.19Å; L118-Y126 CarbonylContact C-O 3.6Å; L118-Y126 WeakPolarHBondContact CA-O 3.24Å; L118-V127 HydrophobicContact CD2-CG2 4.37Å
119Y90.4Very high91.1Very high80 Ų8070.8 Ų70.831%0.31436%0.356SS..EExtended strand (participates in β ladder)trans-97.5132.1177.2-57.1-81.3000111.6C125 Y126 V127 A135 C142Y119-C125 WeakPolarHBondContact O-CA 3.42Å; Y119-Y126 PolarHBondContact N-O 2.88Å; Y119-Y126 PolarHBondContact O-N 3.4Å; Y119-V127 VanDerWaalsContact CD2-O 3.29Å; Y119-V127 WeakPolarHBondContact CD2-O 3.25Å; Y119-V127 VanDerWaalsContact CE2-O 3.28Å; Y119-V127 WeakPolarHBondContact CE2-O 3.26Å; Y119-A135 HydrophobicContact CD1-CB 3.46Å; Y119-A135 VanDerWaalsContact CD1-CB 3.46Å; Y119-A135 HydrophobicContact CE1-CB 3.23Å; Y119-A135 HydrophobicContact CG-CB 4.47Å; Y119-C142 WeakPolarHBondContact CB-SG 3.49Å
120L91.6Very high90.9Very high25 Ų2567.9 Ų67.913%0.13134%0.342CS..EExtended strand (participates in β ladder)trans-83.1124.1174.4-177.767.7000110.4C111 C114 M140 E141 C142C111-L120 HydrophobicContact CB-CD1 3.99Å; C111-L120 WeakPolarHBondContact O-CD1 3.15Å; C114-L120 VanDerWaalsContact SG-CD1 3.59Å; L120-M140 PolarHBondContact N-O 3.08Å; L120-E141 HydrophobicContact CB-CG 4.44Å; L120-C142 PolarHBondContact O-N 2.04Å
121H90.7Very high90.2Very high18 Ų1872.6 Ų72.68%0.08337%0.366CS..EExtended strand (participates in β ladder)trans-137.6119.3173.5-179.1-107.9000110.6G123 R124 Y126 Y133 C142H121-G123 PolarHBondContact O-N 2.02Å; H121-G123 VanDerWaalsContact O-N 3.15Å; H121-R124 PolarHBondContact N-O 3.14Å; H121-R124 PolarHBondContact O-N 2.82Å; H121-Y126 HydrophobicContact CB-CD2 3.85Å; H121-Y126 HydrophobicContact CB-CE2 3.87Å; H121-Y133 AromaticContact CD2-CD1 3.65Å; H121-Y133 AromaticContact CD2-CE1 3.92Å; H121-Y133 AromaticContact CD2-CG 3.91Å; H121-Y133 AromaticContact CE1-CE2 3.95Å; H121-Y133 AromaticContact NE2-CD1 3.4Å; H121-Y133 WeakPolarHBondContact NE2-CD1 3.46Å; H121-Y133 AromaticContact NE2-CD2 3.61Å; H121-Y133 AromaticContact NE2-CE1 3.28Å; H121-Y133 VanDerWaalsContact NE2-CE1 3.28Å; H121-Y133 WeakPolarHBondContact NE2-CE1 3.33Å; H121-Y133 AromaticContact NE2-CE2 3.46Å; H121-Y133 WeakPolarHBondContact NE2-CE2 3.42Å; H121-Y133 AromaticContact NE2-CG 3.6Å; H121-Y133 AromaticContact NE2-CZ 3.3Å; H121-Y133 VanDerWaalsContact NE2-CZ 3.3Å; H121-C142 HydrophobicContact CB-CB 3.69Å
122K89.3Confident89.3Confident146 Ų14674.9 Ų74.964%0.63539%0.39SS*.THydrogen-bonded Turntrans48.141.8178.4-62.1-179.4-175.11740113.3Y133K122-Y133 WeakPolarHBondContact CE-OH 3.02Å; K122-Y133 PolarHBondContact NZ-OH 3.3Å
123G90.1Very high88.6Confident2 Ų275.2 Ų75.22%0.02138%0.384CS..THydrogen-bonded Turntrans79.512.4178.500000115.4C111 H121C111-G123 VanDerWaalsContact CB-O 3.24Å; C111-G123 WeakPolarHBondContact CB-O 3.35Å; C111-G123 PolarHBondContact N-O 3.14Å; H121-G123 PolarHBondContact O-N 2.02Å; H121-G123 VanDerWaalsContact O-N 3.15Å
124R92.7Very high88.1Confident130 Ų13071.9 Ų71.949%0.49138%0.375SS..EExtended strand (participates in β ladder)trans-127.1155.2172.9-69.5-170.1175.195.4-2.8111.2H121 Y126H121-R124 PolarHBondContact N-O 3.14Å; H121-R124 PolarHBondContact O-N 2.82Å; R124-Y126 HydrophobicContact CB-CD2 4.49Å; R124-Y126 HydrophobicContact CB-CE2 3.63Å
125C93.1Very high87.5Confident17 Ų1772.7 Ų72.712%0.11538%0.382CS..EExtended strand (participates in β ladder)trans-103.2130.7-176.9-57.40000110.6N101 C114 L118 Y119N101-C125 HydrophobicContact CB-CB 4.26Å; N101-C125 PolarHBondContact O-SG 3.01Å; C114-C125 WeakPolarHBondContact CA-SG 3.47Å; C114-C125 HydrophobicContact CB-CB 3.75Å; C114-C125 WeakPolarHBondContact CB-SG 3.46Å; C114-C125 WeakPolarHBondContact SG-CA 3.08Å; C114-C125 WeakPolarHBondContact SG-CB 3.42Å; C114-C125 CovalentContact SG-SG 2.02Å; C114-C125 PolarHBondContact SG-SG 2.79Å; L118-C125 HydrophobicContact CB-CB 4.33Å; L118-C125 HydrophobicContact CD2-CB 4.19Å; Y119-C125 WeakPolarHBondContact O-CA 3.42Å
126Y91.4Very high86.3Confident89 Ų8969.3 Ų69.335%0.34937%0.374SS..EExtended strand (participates in β ladder)trans-130.1150.6-179.5-59.7-87.6000110.6L118 Y119 H121 R124 T128L118-Y126 CarbonylContact C-O 3.6Å; L118-Y126 WeakPolarHBondContact CA-O 3.24Å; Y119-Y126 PolarHBondContact N-O 2.88Å; Y119-Y126 PolarHBondContact O-N 3.4Å; H121-Y126 HydrophobicContact CB-CD2 3.85Å; H121-Y126 HydrophobicContact CB-CE2 3.87Å; R124-Y126 HydrophobicContact CB-CD2 4.49Å; R124-Y126 HydrophobicContact CB-CE2 3.63Å; Y126-T128 VanDerWaalsContact C-N 3.3Å; Y126-T128 WeakPolarHBondContact CB-O 3.13Å
127V89.9Confident85.1Confident109 Ų10967.7 Ų67.766%0.66137%0.371SS*.SBendtrans-71.4-30.3175.2-1790000111.2L118 Y119L118-V127 HydrophobicContact CD2-CG2 4.37Å; Y119-V127 VanDerWaalsContact CD2-O 3.29Å; Y119-V127 WeakPolarHBondContact CD2-O 3.25Å; Y119-V127 VanDerWaalsContact CE2-O 3.28Å; Y119-V127 WeakPolarHBondContact CE2-O 3.26Å
128T87.9Confident84.1Confident105 Ų10569.3 Ų69.364%0.64439%0.388SS*.SBendtrans-140.9146.8176-49.90000108.6Y126Y126-T128 VanDerWaalsContact C-N 3.3Å; Y126-T128 WeakPolarHBondContact CB-O 3.13Å
129C87.9Confident83.2Confident20 Ų2071.5 Ų71.514%0.13540%0.402CS..PPolyproline II helixtrans-61.8139.1178.3-68.20000111.5Y133 C142C129-Y133 WeakPolarHBondContact CB-O 3.43Å; C129-C142 WeakPolarHBondContact CA-SG 3.44Å; C129-C142 HydrophobicContact CB-CB 3.88Å; C129-C142 WeakPolarHBondContact CB-SG 3.2Å; C129-C142 WeakPolarHBondContact SG-CA 3.45Å; C129-C142 WeakPolarHBondContact SG-CB 3.4Å; C129-C142 CovalentContact SG-SG 2.04Å; C129-C142 PolarHBondContact SG-SG 3.5Å
130P87.3Confident82.9Confident44 Ų4472.6 Ų72.629%0.28641%0.411SS..PPolyproline II helixtrans-65.6164.8177.226.5-32.8000111.9G132 Y133P130-G132 PolarHBondContact O-N 2.79Å; P130-Y133 HydrophobicContact CG-CD2 4.19Å; P130-Y133 WeakPolarHBondContact O-CB 3.46Å; P130-Y133 PolarHBondContact O-N 3.4Å
131E80.4Confident82.5Confident195 Ų19576.6 Ų76.691%0.91143%0.429SS*.THydrogen-bonded Turntrans-52.5133.9-177-64.3-170.8170.900112.6Y133E131-Y133 VanDerWaalsContact C-N 3.33Å
132G73.6Confident82.3Confident49 Ų4976.3 Ų76.351%0.50543%0.429SS..THydrogen-bonded Turntrans74.222.4-176.100000113.8P130 P145P130-G132 PolarHBondContact O-N 2.79Å; G132-P145 WeakPolarHBondContact O-CD 3.4Å
133Y79Confident81.8Confident72 Ų7272.1 Ų72.128%0.28242%0.418SS..  trans-137.5145.7168.5-66.3-96000109.8H121 K122 C129 P130 E131 S143H121-Y133 AromaticContact CD2-CD1 3.65Å; H121-Y133 AromaticContact CD2-CE1 3.92Å; H121-Y133 AromaticContact CD2-CG 3.91Å; H121-Y133 AromaticContact CE1-CE2 3.95Å; H121-Y133 AromaticContact NE2-CD1 3.4Å; H121-Y133 WeakPolarHBondContact NE2-CD1 3.46Å; H121-Y133 AromaticContact NE2-CD2 3.61Å; H121-Y133 AromaticContact NE2-CE1 3.28Å; H121-Y133 VanDerWaalsContact NE2-CE1 3.28Å; H121-Y133 WeakPolarHBondContact NE2-CE1 3.33Å; H121-Y133 AromaticContact NE2-CE2 3.46Å; H121-Y133 WeakPolarHBondContact NE2-CE2 3.42Å; H121-Y133 AromaticContact NE2-CG 3.6Å; H121-Y133 AromaticContact NE2-CZ 3.3Å; H121-Y133 VanDerWaalsContact NE2-CZ 3.3Å; K122-Y133 WeakPolarHBondContact CE-OH 3.02Å; K122-Y133 PolarHBondContact NZ-OH 3.3Å; C129-Y133 WeakPolarHBondContact CB-O 3.43Å; P130-Y133 HydrophobicContact CG-CD2 4.19Å; P130-Y133 WeakPolarHBondContact O-CB 3.46Å; P130-Y133 PolarHBondContact O-N 3.4Å; E131-Y133 VanDerWaalsContact C-N 3.33Å; Y133-S143 CarbonylContact C-O 3.58Å; Y133-S143 VanDerWaalsContact CA-O 3.3Å; Y133-S143 WeakPolarHBondContact CA-O 3.42Å; Y133-S143 VanDerWaalsContact CD1-C 3.43Å
134S79.6Confident80.7Confident39 Ų3974.4 Ų74.427%0.27343%0.434SS..EExtended strand (participates in β ladder)trans-132.9143.8175.455.70000109.6S143S134-S143 PolarHBondContact N-O 3.16Å; S134-S143 PolarHBondContact O-N 3.42Å; S134-S143 VanDerWaalsContact O-O 3.13Å
135A80.3Confident79.1Confident27 Ų2770.8 Ų70.822%0.22343%0.427CS..EExtended strand (participates in β ladder)trans-72.1132.7168.100000108.9Y119Y119-A135 HydrophobicContact CD1-CB 3.46Å; Y119-A135 VanDerWaalsContact CD1-CB 3.46Å; Y119-A135 HydrophobicContact CE1-CB 3.23Å; Y119-A135 HydrophobicContact CG-CB 4.47Å
136A68.6Low77.3Confident37 Ų3773.8 Ų73.831%0.30645%0.454SS..  trans-72.9144.8170.200000108.9G138 T139A136-G138 PolarHBondContact O-N 3.11Å; A136-T139 PolarHBondContact O-N 3.41Å; A136-T139 PolarHBondContact O-OG1 3.36Å
137N64.3Low75.7Confident144 Ų14475 Ų7577%0.7746%0.463SS*.THydrogen-bonded Turntrans-56.8115.4-179.9-73-22.7000109.9
138G66.6Low74.7Confident88 Ų8871 Ų7191%0.90744%0.438SS*.THydrogen-bonded Turntrans96.6-4.5179.600000116.1A136A136-G138 PolarHBondContact O-N 3.11Å
139T72.9Confident73.9Confident66 Ų6671.2 Ų71.241%0.40543%0.432SS..  trans-115.4137.5174.865.80000112.2A136 E141A136-T139 PolarHBondContact O-N 3.41Å; A136-T139 PolarHBondContact O-OG1 3.36Å; T139-E141 PolarHBondContact O-N 3.03Å; T139-E141 VanDerWaalsContact O-N 3.14Å
140M82.8Confident73.6Confident102 Ų10272.8 Ų72.850%0.50244%0.439SS..SBendtrans-84.337.7173.8-70.8-177.1164.100111.6L120L120-M140 PolarHBondContact N-O 3.08Å
141E85.1Confident73.6Confident109 Ų10971.8 Ų71.851%0.50943%0.432SS..BIsolated β-bridgetrans-129.4133.6-176.8-65.2-172.9175.700110.6L120 T139L120-E141 HydrophobicContact CB-CG 4.44Å; T139-E141 PolarHBondContact O-N 3.03Å; T139-E141 VanDerWaalsContact O-N 3.14Å
142C85.5Confident74.1Confident13 Ų1371.1 Ų71.19%0.08843%0.429CS..EExtended strand (participates in β ladder)trans-86118.2176.7-640000110.5Y119 L120 H121 C129Y119-C142 WeakPolarHBondContact CB-SG 3.49Å; L120-C142 PolarHBondContact O-N 2.04Å; H121-C142 HydrophobicContact CB-CB 3.69Å; C129-C142 WeakPolarHBondContact CA-SG 3.44Å; C129-C142 HydrophobicContact CB-CB 3.88Å; C129-C142 WeakPolarHBondContact CB-SG 3.2Å; C129-C142 WeakPolarHBondContact SG-CA 3.45Å; C129-C142 WeakPolarHBondContact SG-CB 3.4Å; C129-C142 CovalentContact SG-SG 2.04Å; C129-C142 PolarHBondContact SG-SG 3.5Å
143S78.2Confident75Confident57 Ų5772.1 Ų72.140%0.39942%0.418SS..EExtended strand (participates in β ladder)trans-113.5146.3175.7-70.30000110.3Y133 S134Y133-S143 CarbonylContact C-O 3.58Å; Y133-S143 VanDerWaalsContact CA-O 3.3Å; Y133-S143 WeakPolarHBondContact CA-O 3.42Å; Y133-S143 VanDerWaalsContact CD1-C 3.43Å; S134-S143 PolarHBondContact N-O 3.16Å; S134-S143 PolarHBondContact O-N 3.42Å; S134-S143 VanDerWaalsContact O-O 3.13Å
144S67.7Low75.6Confident50 Ų5069.9 Ų69.935%0.3542%0.417SS..  trans-66.3139.8176.853.40000109.2A146S144-A146 PolarHBondContact O-N 3.35Å
145P59.8Low76.2Confident54 Ų5474 Ų7435%0.35144%0.442SS..SBendtrans-68.34.5173.430.9-31.3000112.2G132 Q147G132-P145 WeakPolarHBondContact O-CD 3.4Å; P145-Q147 PolarHBondContact O-N 2.03Å
146A55Low76.8Confident81 Ų8175.7 Ų75.767%0.66944%0.443SS*.  trans-71.158168.700000111.6S144S144-A146 PolarHBondContact O-N 3.35Å
147Q57.5Low77.8Confident115 Ų11575 Ų7554%0.53744%0.44SS..  trans-141.732163.4-65.6-168.7-8.700111.2P145 E149 Q181 P183P145-Q147 PolarHBondContact O-N 2.03Å; Q147-E149 PolarHBondContact O-N 3.45Å; Q147-Q181 CarbonylContact O-C 3.54Å; Q147-P183 HydrophobicContact CB-CG 4.47Å
148C67.8Low79.1Confident23 Ų2372.5 Ų72.516%0.15543%0.431CS..  trans-75.180.5152.7-65.50000107.5M150 Q181 P183 C190C148-M150 PolarHBondContact O-N 2.92Å; C148-M150 VanDerWaalsContact O-N 3.16Å; C148-Q181 CarbonylContact C-O 3.57Å; C148-Q181 WeakPolarHBondContact CA-O 3.42Å; C148-P183 WeakPolarHBondContact SG-CD 3.26Å; C148-C190 HydrophobicContact CB-CB 3.68Å; C148-C190 WeakPolarHBondContact CB-SG 3.4Å; C148-C190 WeakPolarHBondContact SG-CA 3.38Å; C148-C190 WeakPolarHBondContact SG-CB 2.99Å; C148-C190 CovalentContact SG-SG 2.03Å; C148-C190 PolarHBondContact SG-SG 2.74Å
149E72.5Confident80.3Confident110 Ų11069 Ų6951%0.51439%0.393SS..EExtended strand (participates in β ladder)trans-66.1114.1169.4-167.3179.9-179.800106.5Q147 L180 Q181Q147-E149 PolarHBondContact O-N 3.45Å; E149-L180 HydrophobicContact CB-CB 4.38Å; E149-L180 HydrophobicContact CG-CB 4.36Å; E149-L180 HydrophobicContact CG-CD1 4.34Å; E149-L180 WeakPolarHBondContact O-CA 3.05Å; E149-L180 WeakPolarHBondContact O-CB 3.04Å; E149-L180 PolarHBondContact O-N 2.83Å; E149-Q181 HydrophobicContact CB-CB 3.82Å; E149-Q181 PolarHBondContact N-O 3.08Å; E149-Q181 PolarHBondContact O-N 2.86Å; E149-Q181 VanDerWaalsContact O-N 3.09Å
150M82.1Confident81.2Confident54 Ų5467.5 Ų67.527%0.26639%0.385SS..EExtended strand (participates in β ladder)trans-105.1148.9-178.1-66.9-169.5-69.300109.7C148 R177 P191C148-M150 PolarHBondContact O-N 2.92Å; C148-M150 VanDerWaalsContact O-N 3.16Å; M150-R177 PolarHBondContact SD-NE 2.04Å; M150-R177 PolarHBondContact SD-NH2 2.81Å; M150-R177 VanDerWaalsContact SD-NH2 3.44Å; M150-P191 HydrophobicContact CE-CB 3.85Å; M150-P191 HydrophobicContact CE-CG 3.65Å; M150-P191 HydrophobicContact SD-CB 3.76Å; M150-P191 HydrophobicContact SD-CG 3.84Å
151S87.3Confident81.6Confident22 Ų2267.8 Ų67.815%0.15438%0.383CS..PPolyproline II helixtrans-67.2162.417176.30000110.9R178S151-R178 PolarHBondContact N-O 2.8Å; S151-R178 WeakPolarHBondContact OG-CG 3.38Å; S151-R178 PolarHBondContact OG-N 3.22Å; S151-R178 PolarHBondContact OG-O 3.05Å
152E90.3Very high81.6Confident182 Ų18271.8 Ų71.885%0.8540%0.399SS*.PPolyproline II helixtrans-54.2150.3159.3-65.5-172.2169.300110.4
153W91.9Very high81.4Confident69 Ų6982.8 Ų82.826%0.26144%0.439SS..PPolyproline II helixtrans-67.3136.4175-76.6106.1000110.4R175 R177 E195W153-R175 HydrophobicContact CD2-CG 4.2Å; W153-R175 HydrophobicContact CE3-CB 4.37Å; W153-R175 HydrophobicContact CE3-CG 3.56Å; W153-R175 VanDerWaalsContact CG-CZ 3.44Å; W153-R175 HydrophobicContact CZ3-CG 3.9Å; W153-R177 HydrophobicContact CD2-CB 4Å; W153-R177 HydrophobicContact CD2-CG 4.09Å; W153-R177 HydrophobicContact CE3-CB 3.63Å; W153-R177 HydrophobicContact CE3-CG 3.73Å; W153-R177 HydrophobicContact CH2-CG 3.8Å; W153-R177 HydrophobicContact CZ2-CG 4.15Å; W153-R177 HydrophobicContact CZ3-CB 3.97Å; W153-R177 HydrophobicContact CZ3-CG 3.58Å; W153-E195 HydrophobicContact CH2-CB 3.62Å; W153-E195 HydrophobicContact CZ2-CB 4.21Å; W153-E195 WeakPolarHBondContact CZ2-OE2 3.39Å; W153-E195 HydrophobicContact CZ3-CB 3.91Å
154G91.1Very high81.7Confident26 Ų2684.9 Ų84.927%0.26844%0.441SS..PPolyproline II helixtrans-60.9162.6164.500000111.8T176G154-T176 PolarHBondContact N-O 2.89Å
155P92.5Very high82.6Confident124 Ų12487.9 Ų87.981%0.80545%0.452SS*.PPolyproline II helixtrans-59.4151.8172.627.8-34.7000110.4G157P155-G157 PolarHBondContact O-N 2.84Å
156W92.6Very high83.7Confident64 Ų6487.2 Ų87.224%0.24245%0.448CS..PPolyproline II helixtrans-62.6131.4172.6-70.8101.1000110.2E173 R175 E195 R197W156-E173 HydrophobicContact CD2-CG 4.18Å; W156-E173 HydrophobicContact CE3-CB 4.24Å; W156-E173 HydrophobicContact CE3-CG 3.65Å; W156-E173 HydrophobicContact CZ3-CG 4.23Å; W156-E173 WeakPolarHBondContact CZ3-O 3.49Å; W156-R175 HydrophobicContact CD2-CB 4.07Å; W156-R175 HydrophobicContact CD2-CG 4.08Å; W156-R175 HydrophobicContact CE3-CB 3.75Å; W156-R175 HydrophobicContact CE3-CG 3.76Å; W156-R175 HydrophobicContact CH2-CG 3.67Å; W156-R175 VanDerWaalsContact CZ2-CD 3.44Å; W156-R175 HydrophobicContact CZ2-CG 3.99Å; W156-R175 VanDerWaalsContact CZ2-NE 3.3Å; W156-R175 HydrophobicContact CZ3-CB 4.03Å; W156-R175 HydrophobicContact CZ3-CG 3.56Å; W156-E195 HydrophobicContact CH2-CB 4.24Å; W156-E195 HydrophobicContact CH2-CG 3.91Å; W156-R197 HydrophobicContact CE3-CB 4.27Å; W156-R197 HydrophobicContact CH2-CB 3.45Å; W156-R197 VanDerWaalsContact CH2-CB 3.45Å; W156-R197 HydrophobicContact CH2-CG 4.47Å; W156-R197 HydrophobicContact CZ2-CB 4.04Å; W156-R197 HydrophobicContact CZ3-CB 3.57Å
157G91.2Very high85.1Confident22 Ų2285.2 Ų85.223%0.22744%0.436CS..PPolyproline II helixtrans-64.2169.6170.800000112.2P155 C159 E173 D174P155-G157 PolarHBondContact O-N 2.84Å; G157-C159 PolarHBondContact O-N 3.28Å; G157-E173 WeakPolarHBondContact O-CB 3.44Å; G157-D174 PolarHBondContact N-O 2.83Å
158P90.2Very high86.5Confident91 Ų9180.4 Ų80.459%0.59141%0.413SS*.PPolyproline II helixtrans-66.3137.7179.429.9-35.4000110.6S160 L165P158-S160 PolarHBondContact O-N 2.83Å; P158-L165 HydrophobicContact CB-CD2 3.85Å; P158-L165 HydrophobicContact CG-CD2 3.76Å
159C92.1Very high87.4Confident16 Ų1686.2 Ų86.211%0.10844%0.436CS..PPolyproline II helixtrans-54.3126.2173.9-1700000110G157 F168 C199 V201G157-C159 PolarHBondContact O-N 3.28Å; C159-F168 VanDerWaalsContact O-CZ 3.26Å; C159-F168 WeakPolarHBondContact O-CZ 3.45Å; C159-C199 WeakPolarHBondContact CA-SG 2.97Å; C159-C199 HydrophobicContact CB-CB 3.79Å; C159-C199 WeakPolarHBondContact CB-SG 3.25Å; C159-C199 WeakPolarHBondContact SG-CB 3.44Å; C159-C199 CovalentContact SG-SG 2.01Å; C159-C199 PolarHBondContact SG-SG 2.99Å; C159-V201 HydrophobicContact CB-CG1 3.62Å
160S91.6Very high88.3Confident34 Ų3488.1 Ų88.124%0.23844%0.442CS..BIsolated β-bridgetrans-137.5154.6-176.877.70000112.5P158 K164 G171 N172P158-S160 PolarHBondContact O-N 2.83Å; S160-K164 CarbonylContact C-O 3.54Å; S160-K164 VanDerWaalsContact CA-O 3.24Å; S160-K164 WeakPolarHBondContact CA-O 3.36Å; S160-K164 WeakPolarHBondContact CB-O 3.41Å; S160-G171 CarbonylContact O-C 3.59Å; S160-G171 WeakPolarHBondContact O-CA 3.03Å; S160-N172 PolarHBondContact N-O 2.81Å; S160-N172 PolarHBondContact O-N 2.91Å
161K90.9Very high88.8Confident107 Ų10785.9 Ų85.947%0.46543%0.433SS..BIsolated β-bridgetrans-135.2120172.8-170-176.4-169.6170.20110R163 K164 F168 K170K161-R163 VanDerWaalsContact C-N 3.26Å; K161-R163 PolarHBondContact O-N 2.85Å; K161-K164 PolarHBondContact N-O 3.29Å; K161-K164 WeakPolarHBondContact O-CB 3.45Å; K161-K164 PolarHBondContact O-N 3.09Å; K161-F168 HydrophobicContact CB-CB 3.99Å; K161-F168 HydrophobicContact CB-CD1 3.64Å; K161-F168 HydrophobicContact CB-CD2 3.83Å; K161-F168 HydrophobicContact CB-CE1 4.13Å; K161-F168 HydrophobicContact CB-CE2 4.28Å; K161-F168 HydrophobicContact CB-CG 3.51Å; K161-F168 HydrophobicContact CB-CZ 4.44Å; K161-F168 HydrophobicContact CD-CB 3.68Å; K161-F168 HydrophobicContact CD-CG 4.17Å; K161-F168 HydrophobicContact CG-CB 4.48Å; K161-F168 HydrophobicContact CG-CG 4.48Å; K161-K170 WeakPolarHBondContact CD-O 3.4Å
162K85.2Confident89.2Confident193 Ų19388.6 Ų88.684%0.83945%0.446SS*.THydrogen-bonded Turntrans50.446-176.2-60.5-175.5175.7-172.40112K164K162-K164 PolarHBondContact O-N 3.36Å
163R82.8Confident89.3Confident245 Ų24581 Ų8193%0.92541%0.411SS*.THydrogen-bonded Turntrans61.314.7-176-54.7-174-180-137.31.2115.9K161K161-R163 VanDerWaalsContact C-N 3.26Å; K161-R163 PolarHBondContact O-N 2.85Å
164K84.1Confident89.4Confident100 Ų10082 Ų8244%0.43542%0.421SS..BIsolated β-bridgetrans-99.7145.1171.2-60.1-174.2177.6-172.30109.7S160 K161 K162 F168S160-K164 CarbonylContact C-O 3.54Å; S160-K164 VanDerWaalsContact CA-O 3.24Å; S160-K164 WeakPolarHBondContact CA-O 3.36Å; S160-K164 WeakPolarHBondContact CB-O 3.41Å; K161-K164 PolarHBondContact N-O 3.29Å; K161-K164 WeakPolarHBondContact O-CB 3.45Å; K161-K164 PolarHBondContact O-N 3.09Å; K162-K164 PolarHBondContact O-N 3.36Å; K164-F168 WeakPolarHBondContact O-CE1 3.4Å
165L85.4Confident89.6Confident114 Ų11483.3 Ų83.360%0.59742%0.418SS*.SBendtrans-101.9-7.6177.6-63.8175.8000113.5P158P158-L165 HydrophobicContact CB-CD2 3.85Å; P158-L165 HydrophobicContact CG-CD2 3.76Å
166C83.8Confident89.6Confident39 Ų3981.4 Ų81.426%0.26440%0.404SS..SBendtrans-136.7166.6-178.854.20000110.8F168 C206C166-F168 WeakPolarHBondContact O-CD1 3.36Å; C166-C206 HydrophobicContact CB-CB 4.07Å; C166-C206 WeakPolarHBondContact CB-SG 3.41Å; C166-C206 PolarHBondContact O-SG 2.98Å; C166-C206 WeakPolarHBondContact SG-CA 3.48Å; C166-C206 WeakPolarHBondContact SG-CB 3.46Å; C166-C206 CovalentContact SG-SG 2.02Å; C166-C206 PolarHBondContact SG-SG 2.92Å
167G83.9Confident89.6Confident40 Ų4080.7 Ų80.741%0.41240%0.401SS..SBendtrans80.311.5175.500000116.2N204G167-N204 WeakPolarHBondContact CA-O 3.2Å; G167-N204 PolarHBondContact N-O 2.78Å
168F87.2Confident89.5Confident14 Ų1488.1 Ų88.16%0.06142%0.422CS..  trans-132.3160.2175.459.6-86.9000112C159 K161 K164 C166 K170 V201C159-F168 VanDerWaalsContact O-CZ 3.26Å; C159-F168 WeakPolarHBondContact O-CZ 3.45Å; K161-F168 HydrophobicContact CB-CB 3.99Å; K161-F168 HydrophobicContact CB-CD1 3.64Å; K161-F168 HydrophobicContact CB-CD2 3.83Å; K161-F168 HydrophobicContact CB-CE1 4.13Å; K161-F168 HydrophobicContact CB-CE2 4.28Å; K161-F168 HydrophobicContact CB-CG 3.51Å; K161-F168 HydrophobicContact CB-CZ 4.44Å; K161-F168 HydrophobicContact CD-CB 3.68Å; K161-F168 HydrophobicContact CD-CG 4.17Å; K161-F168 HydrophobicContact CG-CB 4.48Å; K161-F168 HydrophobicContact CG-CG 4.48Å; K164-F168 WeakPolarHBondContact O-CE1 3.4Å; C166-F168 WeakPolarHBondContact O-CD1 3.36Å; F168-K170 WeakPolarHBondContact CD2-O 3.42Å; F168-V201 HydrophobicContact CD2-CG2 3.79Å; F168-V201 HydrophobicContact CE2-CG2 3.43Å; F168-V201 VanDerWaalsContact CE2-CG2 3.43Å; F168-V201 HydrophobicContact CZ-CG2 4.08Å; F168-V201 WeakPolarHBondContact O-CG2 3.34Å
169K87.3Confident89.3Confident145 Ų14585.7 Ų85.763%0.6340%0.404SS*.SBendtrans-103.8-25.8176.7-172.7173.3-178.2175.20113.5T200 V201K169-T200 VanDerWaalsContact O-CA 3.27Å; K169-T200 WeakPolarHBondContact O-CA 2.96Å; K169-V201 WeakPolarHBondContact CA-O 3.39Å; K169-V201 PolarHBondContact O-N 2.99Å
170K91.1Very high88.7Confident149 Ų14989.1 Ų89.165%0.64842%0.421SS*.EExtended strand (participates in β ladder)trans-129.2128.6179.4-59.4-172.5176.1-178.40108.6K161 F168 C199 T200K161-K170 WeakPolarHBondContact CD-O 3.4Å; F168-K170 WeakPolarHBondContact CD2-O 3.42Å; K170-C199 WeakPolarHBondContact CA-O 2.98Å; K170-T200 HydrophobicContact CG-CG2 4.23Å
171G92.7Very high87.8Confident7 Ų792.4 Ų92.47%0.07243%0.432CS..EExtended strand (participates in β ladder)trans-140.6-170.9178.100000110.9S160 C199S160-G171 CarbonylContact O-C 3.59Å; S160-G171 WeakPolarHBondContact O-CA 3.03Å; G171-C199 PolarHBondContact N-O 3.27Å; G171-C199 PolarHBondContact O-N 2.86Å; G171-C199 PolarHBondContact O-SG 2.9Å; G171-C199 VanDerWaalsContact O-SG 3.35Å
172N94.8Very high86.5Confident79 Ų7988.5 Ų88.542%0.42242%0.42SS..EExtended strand (participates in β ladder)trans-122.5147.4170-65.7-11.9000109.1S160 V196 R197 C199S160-N172 PolarHBondContact N-O 2.81Å; S160-N172 PolarHBondContact O-N 2.91Å; N172-V196 HydrophobicContact CB-CG1 3.76Å; N172-R197 CarbonylContact C-O 3.56Å; N172-R197 VanDerWaalsContact CA-O 3.25Å; N172-R197 WeakPolarHBondContact CA-O 3Å; N172-C199 VanDerWaalsContact CA-SG 3.59Å; N172-C199 PolarHBondContact N-SG 2.86Å
173E93.6Very high85.5Confident24 Ų2480.1 Ų80.111%0.11239%0.386CS..EExtended strand (participates in β ladder)trans-119.8142.7169.457.1-169.6175.400107.8W156 G157 V196 R197 C199W156-E173 HydrophobicContact CD2-CG 4.18Å; W156-E173 HydrophobicContact CE3-CB 4.24Å; W156-E173 HydrophobicContact CE3-CG 3.65Å; W156-E173 HydrophobicContact CZ3-CG 4.23Å; W156-E173 WeakPolarHBondContact CZ3-O 3.49Å; G157-E173 WeakPolarHBondContact O-CB 3.44Å; E173-V196 WeakPolarHBondContact O-CA 3.24Å; E173-R197 HydrophobicContact CG-CB 4.06Å; E173-R197 PolarHBondContact N-O 2.87Å; E173-R197 PolarHBondContact O-N 2.93Å; E173-R197 IonicContact OE1-CZ 3.73Å; E173-R197 IonicContact OE1-NE 3.06Å; E173-R197 PolarHBondContact OE1-NE 2.92Å; E173-R197 IonicContact OE1-NH2 3.78Å; E173-R197 PolarHBondContact OE1-NH2 2.92Å; E173-C199 HydrophobicContact CG-CB 4.13Å
174D93.9Very high84.4Confident88 Ų8871.6 Ų71.647%0.47136%0.364SS..EExtended strand (participates in β ladder)trans-116.4146.3-179.156.4-50.4000110.1G157 E195 V196G157-D174 PolarHBondContact N-O 2.83Å; D174-E195 CarbonylContact C-O 3.53Å; D174-E195 VanDerWaalsContact CA-O 3.3Å; D174-E195 WeakPolarHBondContact CA-O 3.43Å; D174-V196 HydrophobicContact CB-CG2 4.44Å
175R94.8Very high83.2Confident55 Ų5569.9 Ų69.921%0.20837%0.374CS..EExtended strand (participates in β ladder)trans-132.8154.6168.867175.2-177.4177.9-2109.7W153 W156 T194 E195W153-R175 HydrophobicContact CD2-CG 4.2Å; W153-R175 HydrophobicContact CE3-CB 4.37Å; W153-R175 HydrophobicContact CE3-CG 3.56Å; W153-R175 VanDerWaalsContact CG-CZ 3.44Å; W153-R175 HydrophobicContact CZ3-CG 3.9Å; W156-R175 HydrophobicContact CD2-CB 4.07Å; W156-R175 HydrophobicContact CD2-CG 4.08Å; W156-R175 HydrophobicContact CE3-CB 3.75Å; W156-R175 HydrophobicContact CE3-CG 3.76Å; W156-R175 HydrophobicContact CH2-CG 3.67Å; W156-R175 VanDerWaalsContact CZ2-CD 3.44Å; W156-R175 HydrophobicContact CZ2-CG 3.99Å; W156-R175 VanDerWaalsContact CZ2-NE 3.3Å; W156-R175 HydrophobicContact CZ3-CB 4.03Å; W156-R175 HydrophobicContact CZ3-CG 3.56Å; R175-T194 WeakPolarHBondContact O-CA 3.45Å; R175-E195 HydrophobicContact CG-CB 3.96Å; R175-E195 IonicContact CZ-OE2 2.63Å; R175-E195 PolarHBondContact N-O 2.97Å; R175-E195 IonicContact NE-OE2 2.79Å; R175-E195 PolarHBondContact NE-OE2 3.19Å; R175-E195 IonicContact NH2-OE1 3.09Å; R175-E195 IonicContact NH2-OE2 2.78Å; R175-E195 PolarHBondContact NH2-OE2 2.7Å; R175-E195 PolarHBondContact O-N 2.03Å
176T93.2Very high82Confident84 Ų8468 Ų6852%0.51536%0.364SS..EExtended strand (participates in β ladder)trans-126.1146-179.261.60000110.9G154 T193 T194G154-T176 PolarHBondContact N-O 2.89Å; T176-T193 CarbonylContact C-O 3.55Å; T176-T193 WeakPolarHBondContact CA-O 3.5Å; T176-T194 HydrophobicContact CG2-CG2 3.98Å
177R92.2Very high81.3Confident49 Ų4970.3 Ų70.319%0.18538%0.377CS..  trans-130.3159.1166.366179.7171.4-170.6-2.3108.8M150 W153 A192 T193M150-R177 PolarHBondContact SD-NE 2.04Å; M150-R177 PolarHBondContact SD-NH2 2.81Å; M150-R177 VanDerWaalsContact SD-NH2 3.44Å; W153-R177 HydrophobicContact CD2-CB 4Å; W153-R177 HydrophobicContact CD2-CG 4.09Å; W153-R177 HydrophobicContact CE3-CB 3.63Å; W153-R177 HydrophobicContact CE3-CG 3.73Å; W153-R177 HydrophobicContact CH2-CG 3.8Å; W153-R177 HydrophobicContact CZ2-CG 4.15Å; W153-R177 HydrophobicContact CZ3-CB 3.97Å; W153-R177 HydrophobicContact CZ3-CG 3.58Å; R177-A192 PolarHBondContact NE-O 3.5Å; R177-A192 PolarHBondContact NH2-O 2.02Å; R177-T193 PolarHBondContact N-O 3.07Å; R177-T193 VanDerWaalsContact O-CB 3.29Å; R177-T193 WeakPolarHBondContact O-CB 3.44Å
178R88.9Confident80.4Confident177 Ų17772.9 Ų72.967%0.66839%0.389SS*.  trans-107.3153.6175.660.6-178.2-179-139.50.3110.6S151 L180S151-R178 PolarHBondContact N-O 2.8Å; S151-R178 WeakPolarHBondContact OG-CG 3.38Å; S151-R178 PolarHBondContact OG-N 3.22Å; S151-R178 PolarHBondContact OG-O 3.05Å; R178-L180 HydrophobicContact CG-CD2 4.06Å
179I85.9Confident79.4Confident40 Ų4077.3 Ų77.321%0.20541%0.413CS..EExtended strand (participates in β ladder)trans-83.6119.7168.6-64.4156.5000106.1Q181 A182 V187 C190 T193I179-Q181 VanDerWaalsContact CG2-O 3.29Å; I179-Q181 WeakPolarHBondContact CG2-O 3.45Å; I179-A182 HydrophobicContact CG2-CB 3.98Å; I179-V187 HydrophobicContact CD1-CG1 3.43Å; I179-V187 VanDerWaalsContact CD1-CG1 3.43Å; I179-C190 HydrophobicContact CD1-CB 3.45Å; I179-C190 VanDerWaalsContact CD1-CB 3.45Å; I179-C190 HydrophobicContact CG1-CB 3.98Å; I179-T193 HydrophobicContact CD1-CG2 3.72Å; I179-T193 HydrophobicContact CG1-CG2 3.9Å
180L79.6Confident78.8Confident89 Ų8971.2 Ų71.247%0.46639%0.388SS..EExtended strand (participates in β ladder)trans-82-42.9178.1-61.6175.9000110.3E149 R178E149-L180 HydrophobicContact CB-CB 4.38Å; E149-L180 HydrophobicContact CG-CB 4.36Å; E149-L180 HydrophobicContact CG-CD1 4.34Å; E149-L180 WeakPolarHBondContact O-CA 3.05Å; E149-L180 WeakPolarHBondContact O-CB 3.04Å; E149-L180 PolarHBondContact O-N 2.83Å; R178-L180 HydrophobicContact CG-CD2 4.06Å
181Q72.3Confident78.3Confident102 Ų10267.1 Ų67.148%0.47738%0.377SS..EExtended strand (participates in β ladder)trans-136.7133.8175.8-166166.413.600109Q147 C148 E149 I179Q147-Q181 CarbonylContact O-C 3.54Å; C148-Q181 CarbonylContact C-O 3.57Å; C148-Q181 WeakPolarHBondContact CA-O 3.42Å; E149-Q181 HydrophobicContact CB-CB 3.82Å; E149-Q181 PolarHBondContact N-O 3.08Å; E149-Q181 PolarHBondContact O-N 2.86Å; E149-Q181 VanDerWaalsContact O-N 3.09Å; I179-Q181 VanDerWaalsContact CG2-O 3.29Å; I179-Q181 WeakPolarHBondContact CG2-O 3.45Å
182A64.6Low77.8Confident26 Ų2670 Ų7022%0.21540%0.4CS..  trans-117.2137.4175.200000109.1I179 S184I179-A182 HydrophobicContact CG2-CB 3.98Å; A182-S184 PolarHBondContact O-N 2.03Å
183P62.5Low77.5Confident17 Ų1768.9 Ų68.911%0.1140%0.396CS..G310 helixtrans-61.1129.5174.3-1627.8000110Q147 C148 G185 D186Q147-P183 HydrophobicContact CB-CG 4.47Å; C148-P183 WeakPolarHBondContact SG-CD 3.26Å; P183-G185 PolarHBondContact O-N 2.86Å; P183-D186 PolarHBondContact O-N 2.82Å; P183-D186 VanDerWaalsContact O-N 3.08Å
184S59.8Low77.4Confident66 Ų6672 Ų7246%0.46242%0.416SS..G310 helixtrans57.914.7173.1-53.10000115.7A182 D186A182-S184 PolarHBondContact O-N 2.03Å; S184-D186 VanDerWaalsContact C-N 3.26Å; S184-D186 PolarHBondContact O-N 2.85Å
185G59Low77.4Confident63 Ų6371.1 Ų71.165%0.64941%0.41SS*.G310 helixtrans78.22-176.400000114.8P183 V187P183-G185 PolarHBondContact O-N 2.86Å; G185-V187 PolarHBondContact O-N 2.82Å
186D61.8Low77.3Confident74 Ų7473 Ų7340%0.39643%0.427SS..  trans-92.1100.4-179.5-163.4-16.6000111.2P183 S184 S188 L189P183-D186 PolarHBondContact O-N 2.82Å; P183-D186 VanDerWaalsContact O-N 3.08Å; S184-D186 VanDerWaalsContact C-N 3.26Å; S184-D186 PolarHBondContact O-N 2.85Å; D186-S188 VanDerWaalsContact CG-OG 3.3Å; D186-S188 PolarHBondContact O-N 3.2Å; D186-S188 WeakPolarHBondContact OD1-CB 3.43Å; D186-S188 PolarHBondContact OD1-N 3.06Å; D186-S188 PolarHBondContact OD1-OG 3.29Å; D186-S188 PolarHBondContact OD2-OG 3.29Å; D186-L189 HydrophobicContact CB-CD1 4.22Å; D186-L189 HydrophobicContact CB-CG 4.44Å
187V67.4Low77.4Confident88 Ų8874.7 Ų74.753%0.53342%0.424SS..G310 helixtrans-68.3-20.5-178.2-172.10000111.8I179 G185 L189 C190I179-V187 HydrophobicContact CD1-CG1 3.43Å; I179-V187 VanDerWaalsContact CD1-CG1 3.43Å; G185-V187 PolarHBondContact O-N 2.82Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 2.8Å; V187-C190 WeakPolarHBondContact O-CB 3.4Å; V187-C190 PolarHBondContact O-N 3.05Å
188S66.1Low77.5Confident95 Ų9583 Ų8366%0.66446%0.455SS*.G310 helixtrans-71.9-21.6-176.271.30000113.7D186 C190D186-S188 VanDerWaalsContact CG-OG 3.3Å; D186-S188 PolarHBondContact O-N 3.2Å; D186-S188 WeakPolarHBondContact OD1-CB 3.43Å; D186-S188 PolarHBondContact OD1-N 3.06Å; D186-S188 PolarHBondContact OD1-OG 3.29Å; D186-S188 PolarHBondContact OD2-OG 3.29Å; S188-C190 PolarHBondContact O-N 3.23Å
189L66.9Low77.6Confident106 Ų10675.3 Ų75.356%0.55543%0.429SS*.G310 helixtrans-81.2-6.5177.2-60.5176.5000112.6D186 V187D186-L189 HydrophobicContact CB-CD1 4.22Å; D186-L189 HydrophobicContact CB-CG 4.44Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 2.8Å
190C74.7Confident77.8Confident17 Ų1778.8 Ų78.812%0.11545%0.452CS..SBendtrans-90.6153.3-178.5-65.10000113.4C148 I179 V187 S188C148-C190 HydrophobicContact CB-CB 3.68Å; C148-C190 WeakPolarHBondContact CB-SG 3.4Å; C148-C190 WeakPolarHBondContact SG-CA 3.38Å; C148-C190 WeakPolarHBondContact SG-CB 2.99Å; C148-C190 CovalentContact SG-SG 2.03Å; C148-C190 PolarHBondContact SG-SG 2.74Å; I179-C190 HydrophobicContact CD1-CB 3.45Å; I179-C190 VanDerWaalsContact CD1-CB 3.45Å; I179-C190 HydrophobicContact CG1-CB 3.98Å; V187-C190 WeakPolarHBondContact O-CB 3.4Å; V187-C190 PolarHBondContact O-N 3.05Å; S188-C190 PolarHBondContact O-N 3.23Å
191P79.3Confident78.3Confident64 Ų6477 Ų7742%0.41644%0.444SS..PPolyproline II helixtrans-60.9157.7175.4-20.833000112.6M150 T193M150-P191 HydrophobicContact CE-CB 3.85Å; M150-P191 HydrophobicContact CE-CG 3.65Å; M150-P191 HydrophobicContact SD-CB 3.76Å; M150-P191 HydrophobicContact SD-CG 3.84Å; P191-T193 PolarHBondContact O-N 3.22Å
192A81.8Confident78.8Confident67 Ų6779.5 Ų79.555%0.55446%0.456SS*.PPolyproline II helixtrans-53.5137.3-178.100000113.1R177R177-A192 PolarHBondContact NE-O 3.5Å; R177-A192 PolarHBondContact NH2-O 2.02Å
193T89.2Confident79.4Confident56 Ų5685.7 Ų85.734%0.34448%0.478SS..SBendtrans-87.5-12.8179.150.60000113.1T176 R177 I179 P191T176-T193 CarbonylContact C-O 3.55Å; T176-T193 WeakPolarHBondContact CA-O 3.5Å; R177-T193 PolarHBondContact N-O 3.07Å; R177-T193 VanDerWaalsContact O-CB 3.29Å; R177-T193 WeakPolarHBondContact O-CB 3.44Å; I179-T193 HydrophobicContact CD1-CG2 3.72Å; I179-T193 HydrophobicContact CG1-CG2 3.9Å; P191-T193 PolarHBondContact O-N 3.22Å
194T91.3Very high80Confident88 Ų8890.1 Ų90.154%0.5450%0.501SS..EExtended strand (participates in β ladder)trans-123.3139.9179.951.30000110.5R175 T176R175-T194 WeakPolarHBondContact O-CA 3.45Å; T176-T194 HydrophobicContact CG2-CG2 3.98Å
195E94.5Very high80.7Confident71 Ų7196.2 Ų96.233%0.33252%0.522SS..EExtended strand (participates in β ladder)trans-132.4138.4175.2-170-178.2172.200110W153 W156 D174 R175W153-E195 HydrophobicContact CH2-CB 3.62Å; W153-E195 HydrophobicContact CZ2-CB 4.21Å; W153-E195 WeakPolarHBondContact CZ2-OE2 3.39Å; W153-E195 HydrophobicContact CZ3-CB 3.91Å; W156-E195 HydrophobicContact CH2-CB 4.24Å; W156-E195 HydrophobicContact CH2-CG 3.91Å; D174-E195 CarbonylContact C-O 3.53Å; D174-E195 VanDerWaalsContact CA-O 3.3Å; D174-E195 WeakPolarHBondContact CA-O 3.43Å; R175-E195 HydrophobicContact CG-CB 3.96Å; R175-E195 IonicContact CZ-OE2 2.63Å; R175-E195 PolarHBondContact N-O 2.97Å; R175-E195 IonicContact NE-OE2 2.79Å; R175-E195 PolarHBondContact NE-OE2 3.19Å; R175-E195 IonicContact NH2-OE1 3.09Å; R175-E195 IonicContact NH2-OE2 2.78Å; R175-E195 PolarHBondContact NH2-OE2 2.7Å; R175-E195 PolarHBondContact O-N 2.03Å
196V93.3Very high81.5Confident93 Ų9395.6 Ų95.656%0.56451%0.507SS*.EExtended strand (participates in β ladder)trans-120.1124.3-179.3-177.40000109N172 E173 D174N172-V196 HydrophobicContact CB-CG1 3.76Å; E173-V196 WeakPolarHBondContact O-CA 3.24Å; D174-V196 HydrophobicContact CB-CG2 4.44Å
197R94.4Very high82.1Confident121 Ų12198 Ų9846%0.45753%0.526SS..EExtended strand (participates in β ladder)trans-115.7146.1176.6-169.6172.975.5179.61.7110.5W156 N172 E173W156-R197 HydrophobicContact CE3-CB 4.27Å; W156-R197 HydrophobicContact CH2-CB 3.45Å; W156-R197 VanDerWaalsContact CH2-CB 3.45Å; W156-R197 HydrophobicContact CH2-CG 4.47Å; W156-R197 HydrophobicContact CZ2-CB 4.04Å; W156-R197 HydrophobicContact CZ3-CB 3.57Å; N172-R197 CarbonylContact C-O 3.56Å; N172-R197 VanDerWaalsContact CA-O 3.25Å; N172-R197 WeakPolarHBondContact CA-O 3Å; E173-R197 HydrophobicContact CG-CB 4.06Å; E173-R197 PolarHBondContact N-O 2.87Å; E173-R197 PolarHBondContact O-N 2.93Å; E173-R197 IonicContact OE1-CZ 3.73Å; E173-R197 IonicContact OE1-NE 3.06Å; E173-R197 PolarHBondContact OE1-NE 2.92Å; E173-R197 IonicContact OE1-NH2 3.78Å; E173-R197 PolarHBondContact OE1-NH2 2.92Å
198R93.6Very high82.1Confident224 Ų224102.8 Ų102.885%0.84554%0.543SS*.EExtended strand (participates in β ladder)trans-78.5133.4172.5-71.8-178.1-74.9-171.5-3.5109.4
199C91.1Very high81.8Confident15 Ų15101.4 Ų101.410%0.10154%0.543CS..EExtended strand (participates in β ladder)trans-127.7154.3-179.251.30000110.8C159 K170 G171 N172 E173C159-C199 WeakPolarHBondContact CA-SG 2.97Å; C159-C199 HydrophobicContact CB-CB 3.79Å; C159-C199 WeakPolarHBondContact CB-SG 3.25Å; C159-C199 WeakPolarHBondContact SG-CB 3.44Å; C159-C199 CovalentContact SG-SG 2.01Å; C159-C199 PolarHBondContact SG-SG 2.99Å; K170-C199 WeakPolarHBondContact CA-O 2.98Å; G171-C199 PolarHBondContact N-O 3.27Å; G171-C199 PolarHBondContact O-N 2.86Å; G171-C199 PolarHBondContact O-SG 2.9Å; G171-C199 VanDerWaalsContact O-SG 3.35Å; N172-C199 VanDerWaalsContact CA-SG 3.59Å; N172-C199 PolarHBondContact N-SG 2.86Å; E173-C199 HydrophobicContact CG-CB 4.13Å
200T91.4Very high80.9Confident113 Ų113106.3 Ų106.369%0.69356%0.561SS**EExtended strand (participates in β ladder)trans-125.3127177.154.10000110K169 K170K169-T200 VanDerWaalsContact O-CA 3.27Å; K169-T200 WeakPolarHBondContact O-CA 2.96Å; K170-T200 HydrophobicContact CG-CG2 4.23Å
201V88.8Confident79.7Confident50 Ų50115.4 Ų115.430%0.30359%0.592SS.*  trans-125.4160.3-178.5-64.40000110.4C159 F168 K169C159-V201 HydrophobicContact CB-CG1 3.62Å; F168-V201 HydrophobicContact CD2-CG2 3.79Å; F168-V201 HydrophobicContact CE2-CG2 3.43Å; F168-V201 VanDerWaalsContact CE2-CG2 3.43Å; F168-V201 HydrophobicContact CZ-CG2 4.08Å; F168-V201 WeakPolarHBondContact O-CG2 3.34Å; K169-V201 WeakPolarHBondContact CA-O 3.39Å; K169-V201 PolarHBondContact O-N 2.99Å
202Q82.8Confident78Confident156 Ų156122 Ų12273%0.72962%0.615SS**  trans-69.6139.6170.4-64.1-63.71.100110N204Q202-N204 VanDerWaalsContact C-N 3.32Å; Q202-N204 PolarHBondContact O-N 2.65Å
203K78.3Confident76.1Confident156 Ų156127.6 Ų127.668%0.67863%0.626SS**  trans-76.786.2-177.5-172.6-170.9175.9-170.60109.1
204N75.5Confident74Confident109 Ų109134.7 Ų134.758%0.58365%0.652SS**PPolyproline II helixtrans-82142.7173.9-63.9-8.9000110.3G167 Q202 C206G167-N204 WeakPolarHBondContact CA-O 3.2Å; G167-N204 PolarHBondContact N-O 2.78Å; Q202-N204 VanDerWaalsContact C-N 3.32Å; Q202-N204 PolarHBondContact O-N 2.65Å; N204-C206 PolarHBondContact O-N 2.86Å
205Q72.6Confident71.7Confident195 Ų195139.7 Ų139.791%0.91167%0.67SS**PPolyproline II helixtrans-68.8128.1175.1-61.1-166.576.300109
206C76.5Confident69.2Low49 Ų49144.1 Ų144.133%0.33169%0.69SS.*PPolyproline II helixtrans-71.9139.5175.1-680000109.6C166 N204 E208C166-C206 HydrophobicContact CB-CB 4.07Å; C166-C206 WeakPolarHBondContact CB-SG 3.41Å; C166-C206 PolarHBondContact O-SG 2.98Å; C166-C206 WeakPolarHBondContact SG-CA 3.48Å; C166-C206 WeakPolarHBondContact SG-CB 3.46Å; C166-C206 CovalentContact SG-SG 2.02Å; C166-C206 PolarHBondContact SG-SG 2.92Å; N204-C206 PolarHBondContact O-N 2.86Å; C206-E208 PolarHBondContact O-N 3.03Å; C206-E208 VanDerWaalsContact O-N 3.13Å
207P74.7Confident66.9Low124 Ų124149 Ų14981%0.80571%0.707SS**PPolyproline II helixtrans-59119.8166.123.1-29.3000108.6G209P207-G209 PolarHBondContact O-N 2.87Å
208E66.8Low64.5Low190 Ų190146.3 Ų146.389%0.88872%0.717SS**  trans-69.594.8-175.5-69.1-158139.600111C206 K210C206-E208 PolarHBondContact O-N 3.03Å; C206-E208 VanDerWaalsContact O-N 3.13Å; E208-K210 PolarHBondContact O-N 3.05Å
209G60.1Low62.2Low65 Ų65145.6 Ų145.667%0.6772%0.72SS**  trans-70102.4157.300000109.5P207 R211P207-G209 PolarHBondContact O-N 2.87Å; G209-R211 PolarHBondContact O-N 2.87Å; G209-R211 VanDerWaalsContact O-N 3.12Å
210K49.1Very low60Low210 Ų210153.5 Ų153.591%0.91376%0.756SS**  trans4.988169.4-66.2-175179.2-179.50115.2E208 K212E208-K210 PolarHBondContact O-N 3.05Å; K210-K212 PolarHBondContact O-N 3.03Å
211R48.4Very low57.7Low208 Ų208154.8 Ų154.879%0.78576%0.758SS**  trans-85.8105.8164.3-79-178.6140.6-169.2-14.8109.2G209 K213G209-R211 PolarHBondContact O-N 2.87Å; G209-R211 VanDerWaalsContact O-N 3.12Å; R211-K213 PolarHBondContact O-N 2.98Å
212K44.8Very low55.8Low203 Ų203160 Ų16088%0.88379%0.785SS**  trans-48.8123.8163.4-72.5-177.6174.9-179.40108.7K210 K214K210-K212 PolarHBondContact O-N 3.03Å; K212-K214 PolarHBondContact O-N 3.23Å; K212-K214 VanDerWaalsContact O-N 3.14Å
213K41.5Very low54Low184 Ų184161.2 Ų161.280%0.879%0.792SS**  trans-51.1114.3168.4-90-174.1169.9-164.30109.1R211 E216R211-K213 PolarHBondContact O-N 2.98Å; K213-E216 IonicContact NZ-OE2 2.69Å
214K43.6Very low52.4Low204 Ų204161.1 Ų161.189%0.88780%0.8SS**  trans-149.461.9160.4-127.8-170.6-173.6-171.40108.8K212K212-K214 PolarHBondContact O-N 3.23Å; K212-K214 VanDerWaalsContact O-N 3.14Å
215E44.7Very low50.9Low194 Ų194159.3 Ų159.391%0.90781%0.807SS**  trans-158.243.7168.9-119.7171.5-163.400111.1
216E41.6Very low49.6Very low164 Ų164157.6 Ų157.677%0.76680%0.803SS**SBendtrans-138.259.3162.7-81.4-171.8142.600108.7K213K213-E216 IonicContact NZ-OE2 2.69Å
217Q45.3Very low48Very low194 Ų194166.6 Ų166.691%0.90783%0.831SS**SBendtrans-153.447.2169.1-123158.912.800110.7
218G43.8Very low46.7Very low66 Ų66168.2 Ų168.268%0.6883%0.833SS**SBendtrans-141.211.717400000113.8
219K45.8Very low45.5Very low208 Ų208170.8 Ų170.890%0.90483%0.834SS**SBendtrans-123.212.6-179.2-87.3-171.5176.1-176.60114.7
220Q44.9Very low44.3Very low182 Ų182176.5 Ų176.585%0.8584%0.84SS**SBendtrans-118.11.5177-132.7163.7-2.900114.6
221D41.7Very low43.6Very low139 Ų139172.6 Ų172.674%0.74383%0.83SS**SBendtrans-98.3-3.5174.5-63.5-35.5000113.7
222N49.2Very low43.1Very low161 Ų161170 Ų17086%0.86184%0.837SS**THydrogen-bonded Turntrans-100.819.1-176.7-134.34.1000114.2
223M44.3Very low42.4Very low180 Ų180169 Ų16989%0.88783%0.832SS**THydrogen-bonded Turntrans-121.812175-144.1178.3102.400113.6
224N45.5Very low41.9Very low155 Ų155166.4 Ų166.483%0.82983%0.827SS**SBendtrans-126.88.1179.1-140.515.6000115.1
225G44.7Very low41.4Very low71 Ų71161.4 Ų161.473%0.73282%0.824SS**SBendtrans-100.71.2-17800000116.3
226N44Very low40.8Very low158 Ų158161.8 Ų161.885%0.84582%0.823SS**  trans-116.734.2-169.5-14721.1000114.8
227R43.4Very low40.3Very low239 Ų239159 Ų15990%0.90282%0.821SS**SBendtrans-107.3-4170.9-100-176.8176.8175.4-0.7115.7
228N46.8Very low39.6Very low158 Ų158152.9 Ų152.985%0.84581%0.81SS**SBendtrans-129.675.6178.8-82.4-11.1000112.2
229R42.2Very low39.1Very low243 Ų243155.2 Ų155.292%0.91781%0.812SS**  trans-16562.5146.7-131.6171.4175.8164.1-2111.4
230K34.9Very low38.5Very low185 Ų185154.1 Ų154.180%0.80481%0.807SS**  trans-88.4143.1150.7-164.1174.7177.2-179.90106.6
231D35.4Very low37.8Very low129 Ų129154.8 Ų154.869%0.6981%0.807SS**  trans88.584.4174.6-49.6-39.7000116.4
232T36.8Very low37.2Very low152 Ų152159.2 Ų159.293%0.93381%0.813SS**  -163.7137.9103.816.30000111
233K30.8Very low36.3Very low182 Ų182161.3 Ų161.379%0.79182%0.815SS**  trans-81.9154-165.2-114.2178.1151.2-171.90112.8
234D30.7Very low35.6Very low130 Ų130158.2 Ų158.270%0.69581%0.811SS**  trans63.5109.5137.4-58.3-30.4000120.5
235A33.2Very low35Very low99 Ų99159 Ų15982%0.81881%0.807SS**  -164.897122.500000112.7
236K31.9Very low34.6Very low203 Ų203163 Ų16388%0.88381%0.807SS**  62.9116.5128.2-123.6175.4178.2175.40121.9
237S31.6Very low34.1Very low104 Ų104167.3 Ų167.373%0.72781%0.811SS**  69.4109127.7176.50000118.1
238G30.5Very low33.5Very low66 Ų66159.8 Ų159.868%0.6881%0.807SS**  83.2124.974.500000109.8
239T33.8Very low32.9Very low116 Ų116157 Ų15771%0.71281%0.807SS**  cis-178.5139.948.4-45.90000111.1
240K32Very low32.5Very low185 Ų185151.7 Ų151.780%0.80480%0.801SS**  trans61.6121.2146.5-73172-163.8171.90124.5
241K30Very low32.8Very low195 Ų195148.5 Ų148.585%0.84880%0.797SS**  49.5132.2128-74.7177.1173174.80117.9
242R30.6Very low33.1Very low233 Ų233147.7 Ų147.788%0.87980%0.798SS**  -176130.854-139.9175.3173.2-175.8-3.6111.4
243K28.9Very low32.9Very low205 Ų205146.3 Ų146.389%0.89179%0.79SS**  trans29.3123.7138.6-161.9172.1-175.11750122.2
244S29.9Very low33.2Very low115 Ų115143 Ų14380%0.80479%0.785SS**  trans144.3148.1140.8175.60000109.7
245K32.7Very low33.4Very low171 Ų171141.9 Ų141.974%0.74379%0.787SS**  cis-174.8149.8-27.2-167.9-166.3-179.1177.90103.8
246Q35.9Very low33.4Very low156 Ų156140.8 Ų140.873%0.72978%0.778SS**  trans75.2113.4166.5-75.4171.8-9.400117.5
247R33.3Very low33.5Very low248 Ų248136.5 Ų136.594%0.93677%0.773SS**  82.8116.773.7-93.2-168.1178.4-174.60.5112.5
248G32.3Very low34.3Very low80 Ų80136.7 Ų136.783%0.82577%0.772SS**  trans146.4114.8160.900000112.5
249A33.2Very low34.5Very low101 Ų101139.9 Ų139.984%0.83578%0.779SS**  trans-76.8127.3-170.100000114.1
250V34.5Very low34.8Very low130 Ų130146.9 Ų146.979%0.78880%0.804SS**  8.6134.5117.7166.10000115.6
251V39.9Very low35Very low119 Ų119145 Ų14572%0.72180%0.803SS**  cis174.6179.114.6138.50000104.5
252P43.4Very low35.2Very low111 Ų111142.4 Ų142.472%0.72180%0.801SS**  cis-124.3155.9-6.115.68.2000115.8
253V32.8Very low35.5Very low124 Ų124137.3 Ų137.375%0.75280%0.797SS**  trans-83.3144.8142.3173.80000105.1
254T36.4Very low35.9Very low112 Ų112133.4 Ų133.469%0.68779%0.791SS**  168.2147.573-14.60000108.2
255S34.4Very low36.3Very low107 Ų107134.5 Ų134.575%0.74879%0.79SS**  50.3155.7129.274.20000120.6
256A33.2Very low36.5Very low76 Ų76132.1 Ų132.163%0.62879%0.794SS**  cis-174.3135.18.600000104.9
257S34.9Very low36.6Very low112 Ų112130.4 Ų130.478%0.78380%0.798SS**  82.1175110.3-51.40000114.6
258P46.9Very low36.8Very low108 Ų108121.3 Ų121.370%0.70179%0.788SS**  -133.1-163.2-71.840.3-23.4000112.4
259T36.2Very low37.2Very low133 Ų133124.8 Ų124.882%0.81678%0.784SS**  trans73.3129.8164.523.40000115.8
260Q40.4Very low37.5Very low264 Ų264126.9 Ų126.9100%1.23478%0.78SS**  cis-126.1027.3-7916610.300113

Retrieved 260 of 260 residues in 327.6 ms (Link to these results)