A0A096MU32_PAPAN 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 A0A096MU32, Species PAPAN (Papio anubis, Olive baboon), Gene RSPO1, Length 264 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
1M55.1Low54Low239 Ų239128.8 Ų128.8100%1.17772%0.719SS**  035.50-68.4-70.9-91.300114
2R53.7Low53.7Low233 Ų233128.8 Ų128.888%0.87972%0.715SS**  trans-150.345.6177.6-77.6-160.1174.1-169.5-1114.8
3L52.7Low53.6Low156 Ų156124.2 Ų124.282%0.81770%0.697SS**SBendtrans-128.2-18.9177.1-80.3166.7000115.3L5L3-L5 PolarHBondContact O-N 3.05Å
4G52.8Low53.2Low65 Ų65132 Ų13267%0.6771%0.711SS**SBendtrans-76.6-16.9-179.300000115.9
5L55Low52.8Low150 Ų150131.4 Ų131.479%0.78571%0.713SS**Hα-helixtrans-84-22-172.5-75.1167.1000114.3L3L3-L5 PolarHBondContact O-N 3.05Å
6C54.3Low52.7Low89 Ų89133.6 Ų133.660%0.60172%0.717SS**Hα-helixtrans-76.3-25-173.8-57.40000113.6
7V54.7Low52.7Low104 Ų104134.8 Ų134.863%0.6372%0.722SS**Hα-helixtrans-75.1-36.7-177.3-175.40000111.7A9V7-A9 VanDerWaalsContact C-N 3.31Å; V7-A9 PolarHBondContact O-N 3.34Å
8V54.6Low52.4Low93 Ų93134.6 Ų134.656%0.56473%0.727SS**Hα-helixtrans-66.6-33.4-179.2-176.20000111.8L10V8-L10 PolarHBondContact O-N 2.65Å
9A54.2Low51.9Low63 Ų63136.7 Ų136.752%0.52174%0.736SS.*Hα-helixtrans-64.5-36.8-17800000113.5V7 L12V7-A9 VanDerWaalsContact C-N 3.31Å; V7-A9 PolarHBondContact O-N 3.34Å; A9-L12 PolarHBondContact O-N 3.14Å
10L53.5Low51.3Low123 Ų123132.9 Ų132.964%0.64473%0.73SS**Hα-helixtrans-76.3-25.2-175.9-70171.9000113.6V8 L12 S13V8-L10 PolarHBondContact O-N 2.65Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-S13 PolarHBondContact O-OG 2.8Å
11V52.9Low51.3Low102 Ų102132.9 Ų132.962%0.61874%0.739SS**Hα-helixtrans-72.3-30.6176.5-175.30000111.3S13V11-S13 VanDerWaalsContact C-N 3.35Å
12L51.4Low50.6Low129 Ų129132.6 Ų132.668%0.67573%0.725SS**THydrogen-bonded Turntrans-81.3-10.2-178.6-64.6175.3000114A9 L10A9-L12 PolarHBondContact O-N 3.14Å; L10-L12 VanDerWaalsContact C-N 3.34Å
13S52Low50.4Low69 Ų69125.4 Ų125.448%0.48372%0.723SS.*THydrogen-bonded Turntrans-91.4-9.3-179.943.20000115.6L10 V11L10-S13 PolarHBondContact O-OG 2.8Å; V11-S13 VanDerWaalsContact C-N 3.35Å
14W48.5Very low50.4Low233 Ų233125 Ų12588%0.88372%0.721SS**SBendtrans-103.2-0.8-173.6-76.4-7.2000115.5
15T46.4Very low50.1Low123 Ų123131.3 Ų131.376%0.75573%0.73SS**SBendtrans-90.3-1.6179510000114.6
16H52.2Low49.4Very low167 Ų167127.8 Ų127.877%0.77373%0.73SS**SBendtrans-102.5-1.9-164.3-142.6-60.5000116.5
17L51.8Low49.3Very low154 Ų154132.7 Ų132.781%0.80674%0.741SS**SBendtrans-132.8101175-103.190.3000112.5
18T46.9Very low48.8Very low131 Ų131139.3 Ų139.380%0.80475%0.754SS**  164.7157.413036.80000110.3
19I43.5Very low48.8Very low174 Ų174142.7 Ų142.789%0.89276%0.764SS**  trans68.2129.8178.3-46.9169.7000113.4
20G40.1Very low48.7Very low61 Ų61150.3 Ų150.363%0.62978%0.779SS**  cis159116.4-3.600000110.9R22G20-R22 PolarHBondContact O-N 3.38Å; G20-R22 VanDerWaalsContact O-N 3.09Å
21S51.3Low48.3Very low132 Ų132156.1 Ų156.192%0.92379%0.793SS**  trans-67.3104.8-168.7-55.70000114.3
22R40.5Very low48.5Very low234 Ų234158.4 Ų158.488%0.88380%0.8SS**  trans-141111.8161.4-70.8-169.3177.1-179.5-0.3111.2G20G20-R22 PolarHBondContact O-N 3.38Å; G20-R22 VanDerWaalsContact O-N 3.09Å
23G49.7Very low48.2Very low81 Ų81155.9 Ų155.984%0.83579%0.793SS**  trans-92.4122.4175.600000112.5
24I51.4Low48.2Very low148 Ų148157.2 Ų157.276%0.75981%0.808SS**  trans-126.8114160.8-72.190.8000109.5G26I24-G26 PolarHBondContact O-N 3.13Å; I24-G26 VanDerWaalsContact O-N 3.14Å
25K47.4Very low48.2Very low198 Ų198154 Ų15486%0.86180%0.803SS**  trans15.380.9155.5-63.1176.3-179174.20116.6K27K25-K27 PolarHBondContact O-N 3.01Å
26G40.9Very low48.2Very low76 Ų76151.3 Ų151.378%0.78480%0.8SS**  trans-61.6103.3160.600000110.3I24 R28I24-G26 PolarHBondContact O-N 3.13Å; I24-G26 VanDerWaalsContact O-N 3.14Å; G26-R28 PolarHBondContact O-N 2.95Å
27K51.8Low48.4Very low192 Ų192148.4 Ų148.484%0.83580%0.798SS**  trans-63.498.9168.6-80.4-174.8177.31790107.9K25 Q29K25-K27 PolarHBondContact O-N 3.01Å; K27-Q29 PolarHBondContact O-N 2.8Å
28R44.6Very low49Very low243 Ų243148.5 Ų148.592%0.91780%0.795SS**  trans-70.176.5171.3-166.8179.1-169.6-177.44.2108.7G26 R30G26-R28 PolarHBondContact O-N 2.95Å; R28-R30 PolarHBondContact O-N 3.43Å
29Q54.6Low50.5Low164 Ų164146.8 Ų146.877%0.76679%0.793SS**  trans-52104.6172-168.283.6-1400106.9K27 R31K27-Q29 PolarHBondContact O-N 2.8Å; Q29-R31 PolarHBondContact O-N 3.5Å
30R52Low52.4Low222 Ų222140.8 Ų140.884%0.83877%0.767SS**  trans-57.2126.6167.7-76.9-177.5173.2177.4-2.8105.5R28 I32R28-R30 PolarHBondContact O-N 3.43Å; R30-I32 VanDerWaalsContact C-N 3.27Å; R30-I32 PolarHBondContact O-N 2.04Å
31R45.4Very low54.5Low246 Ų246141.5 Ų141.593%0.92877%0.767SS**  trans-61.8101.7161.7-71.2-172.1-176.5-176.41.4105.6Q29 S33Q29-R31 PolarHBondContact O-N 3.5Å; R31-S33 PolarHBondContact O-N 2.79Å; R31-S33 VanDerWaalsContact O-N 3.11Å
32I55.5Low56.2Low150 Ų150145.2 Ų145.277%0.76977%0.766SS**  trans-68.6104.8164.4-61.3174.5000103.7R30 A34R30-I32 VanDerWaalsContact C-N 3.27Å; R30-I32 PolarHBondContact O-N 2.04Å; I32-A34 PolarHBondContact O-N 2.62Å; I32-A34 VanDerWaalsContact O-N 3.11Å
33S46.5Very low58.5Low75 Ų75135.3 Ų135.352%0.52474%0.736SS.*  trans-60.9114.1169-172.60000106.7R31 E35R31-S33 PolarHBondContact O-N 2.79Å; R31-S33 VanDerWaalsContact O-N 3.11Å; S33-E35 PolarHBondContact O-N 3.32Å; S33-E35 PolarHBondContact OG-O 2.83Å; S33-E35 VanDerWaalsContact OG-O 3.13Å
34A51Low60.6Low97 Ų97132.3 Ų132.380%0.80270%0.702SS**SBendtrans-80.98.3177.800000112.1I32I32-A34 PolarHBondContact O-N 2.62Å; I32-A34 VanDerWaalsContact O-N 3.11Å
35E48.6Very low62.5Low165 Ų165129.3 Ų129.377%0.77169%0.685SS**SBendtrans-116128.6176.2-69.9156.1110.500108S33S33-E35 PolarHBondContact O-N 3.32Å; S33-E35 PolarHBondContact OG-O 2.83Å; S33-E35 VanDerWaalsContact OG-O 3.13Å
36G47.5Very low64.6Low67 Ų67124.8 Ų124.869%0.69167%0.67SS**  trans84.332176.200000116.5Q38G36-Q38 PolarHBondContact O-N 2.89Å
37S54.9Low67.1Low106 Ų106123.6 Ų123.674%0.74165%0.649SS**  trans-71.858.9162.5-69.70000111.5A39S37-A39 PolarHBondContact O-N 3.18Å
38Q64.2Low69Low157 Ų157116.6 Ų116.673%0.73462%0.624SS**  trans-6997.8175.7-173.4158.2-24.900108.2G36 C40G36-Q38 PolarHBondContact O-N 2.89Å; Q38-C40 PolarHBondContact O-N 3.49Å
39A78.6Confident71Confident94 Ų94113.3 Ų113.378%0.77762%0.619SS**PPolyproline II helixtrans-55.3127.2-16600000111.6S37S37-A39 PolarHBondContact O-N 3.18Å
40C82.9Confident72.6Confident49 Ų49109.3 Ų109.333%0.33161%0.606SS.*PPolyproline II helixtrans-54.7144.5179.8-60.80000111.2Q38 C44 C47Q38-C40 PolarHBondContact O-N 3.49Å; C40-C44 HydrophobicContact CB-CB 3.99Å; C40-C47 WeakPolarHBondContact CA-SG 3.47Å; C40-C47 HydrophobicContact CB-CB 3.74Å; C40-C47 WeakPolarHBondContact CB-SG 3.44Å; C40-C47 WeakPolarHBondContact SG-CB 3.02Å; C40-C47 PolarHBondContact SG-N 2.95Å; C40-C47 VanDerWaalsContact SG-N 3.41Å; C40-C47 CovalentContact SG-SG 2.04Å; C40-C47 PolarHBondContact SG-SG 3.39Å
41A84.9Confident74.5Confident76 Ų76102.5 Ų102.563%0.62859%0.586SS**PPolyproline II helixtrans-51.1142.8178.500000111.5G43 C44A41-G43 PolarHBondContact O-N 3.33Å; A41-C44 WeakPolarHBondContact O-CB 2.95Å; A41-C44 PolarHBondContact O-N 2.93Å
42K86.3Confident76.7Confident210 Ų21091.8 Ų91.891%0.91355%0.553SS**THydrogen-bonded Turntrans-51.7123.4-173.9-68.8-178.2178.7177.90111
43G89.4Confident78.5Confident25 Ų2585.1 Ų85.126%0.25852%0.519SS..THydrogen-bonded Turntrans91.43.7-175.900000115.4A41 C56 S57A41-G43 PolarHBondContact O-N 3.33Å; G43-C56 CarbonylContact O-C 3.59Å; G43-C56 WeakPolarHBondContact O-CA 3.34Å; G43-S57 PolarHBondContact O-N 3.01Å; G43-S57 PolarHBondContact O-OG 3.41Å
44C93.3Very high80.7Confident18 Ų1885.7 Ų85.712%0.12252%0.516CS..EExtended strand (participates in β ladder)trans-101.8126.8171.1-173.90000111.1C40 A41 L46 C53C40-C44 HydrophobicContact CB-CB 3.99Å; A41-C44 WeakPolarHBondContact O-CB 2.95Å; A41-C44 PolarHBondContact O-N 2.93Å; C44-L46 VanDerWaalsContact SG-C 3.52Å; C44-L46 PolarHBondContact SG-O 2.91Å; C44-C53 VanDerWaalsContact CA-SG 3.59Å; C44-C53 HydrophobicContact CB-CB 3.9Å; C44-C53 WeakPolarHBondContact CB-SG 3.45Å; C44-C53 WeakPolarHBondContact SG-CA 3.43Å; C44-C53 WeakPolarHBondContact SG-CB 3.1Å; C44-C53 CovalentContact SG-SG 2.03Å; C44-C53 PolarHBondContact SG-SG 3.41Å
45E92.4Very high82.7Confident85 Ų8585.2 Ų85.240%0.39750%0.496SS..EExtended strand (participates in β ladder)trans-87.3-33177.4-63-178.2-179.500112.6K55 S57 P58E45-K55 PolarHBondContact N-O 3.27Å; E45-K55 WeakPolarHBondContact OE2-CD 3.27Å; E45-K55 VanDerWaalsContact OE2-CE 3.3Å; E45-K55 WeakPolarHBondContact OE2-CE 3.41Å; E45-K55 IonicContact OE2-NZ 3.62Å; E45-K55 PolarHBondContact OE2-NZ 3.4Å; E45-S57 WeakPolarHBondContact OE1-CA 3.37Å; E45-P58 VanDerWaalsContact OE1-CD 3.31Å; E45-P58 WeakPolarHBondContact OE1-CD 3.25Å
46L91.5Very high84.9Confident103 Ų10378 Ų7854%0.53946%0.463SS..EExtended strand (participates in β ladder)trans-139.6121.5-178.8-63173.3000109C44 L54 K55C44-L46 VanDerWaalsContact SG-C 3.52Å; C44-L46 PolarHBondContact SG-O 2.91Å; L46-L54 HydrophobicContact CB-CB 4.35Å; L46-L54 WeakPolarHBondContact O-CA 3.42Å; L46-L54 WeakPolarHBondContact O-CB 3.19Å; L46-L54 PolarHBondContact O-N 2.97Å; L46-K55 HydrophobicContact CB-CB 4.05Å; L46-K55 HydrophobicContact CD1-CB 4.09Å; L46-K55 HydrophobicContact CD1-CD 4.31Å; L46-K55 HydrophobicContact CG-CB 4.29Å; L46-K55 PolarHBondContact N-O 2.92Å; L46-K55 PolarHBondContact O-N 2.99Å; L46-K55 VanDerWaalsContact O-N 3.13Å
47C93.1Very high87.1Confident51 Ų5176.7 Ų76.735%0.34544%0.443SS..EExtended strand (participates in β ladder)trans-128.7168.8179.564.20000113C40 G52C40-C47 WeakPolarHBondContact CA-SG 3.47Å; C40-C47 HydrophobicContact CB-CB 3.74Å; C40-C47 WeakPolarHBondContact CB-SG 3.44Å; C40-C47 WeakPolarHBondContact SG-CB 3.02Å; C40-C47 PolarHBondContact SG-N 2.95Å; C40-C47 VanDerWaalsContact SG-N 3.41Å; C40-C47 CovalentContact SG-SG 2.04Å; C40-C47 PolarHBondContact SG-SG 3.39Å; C47-G52 CarbonylContact C-O 3.6Å; C47-G52 VanDerWaalsContact CA-O 3.28Å; C47-G52 WeakPolarHBondContact CA-O 3.06Å; C47-G52 WeakPolarHBondContact CB-O 3.02Å
48S91.5Very high88.7Confident46 Ų4676.5 Ų76.532%0.32244%0.44SS..EExtended strand (participates in β ladder)trans-147.7141.5172.3171.90000108.8V50 N51 G52S48-V50 PolarHBondContact O-N 2.91Å; S48-N51 PolarHBondContact O-N 3.07Å; S48-G52 PolarHBondContact N-O 2.91Å; S48-G52 WeakPolarHBondContact O-CA 3.26Å; S48-G52 PolarHBondContact O-N 2.02Å; S48-G52 VanDerWaalsContact O-O 3.12Å
49E87.1Confident90Very high173 Ų17377.9 Ų77.981%0.80844%0.443SS*.THydrogen-bonded Turntrans-56.6-31.6179.5-65.5166.8-161.300113.6
50V88.3Confident90.8Very high81 Ų8175.1 Ų75.149%0.49142%0.415SS..THydrogen-bonded Turntrans-86.2-37.5-175.8-175.50000112.3S48S48-V50 PolarHBondContact O-N 2.91Å
51N91.6Very high91.4Very high78 Ų7873 Ų7342%0.41740%0.401SS..THydrogen-bonded Turntrans-109.21.3-170.3-62.8-18.8000113.2S48 L54 V72 G73S48-N51 PolarHBondContact O-N 3.07Å; N51-L54 HydrophobicContact CB-CD2 3.79Å; N51-V72 WeakPolarHBondContact O-CA 3.31Å; N51-G73 PolarHBondContact O-N 2.92Å
52G92Very high91.9Very high22 Ų2269.8 Ų69.823%0.22737%0.373CS..EExtended strand (participates in β ladder)trans65.3-135.9-172.800000112.1C47 S48C47-G52 CarbonylContact C-O 3.6Å; C47-G52 VanDerWaalsContact CA-O 3.28Å; C47-G52 WeakPolarHBondContact CA-O 3.06Å; C47-G52 WeakPolarHBondContact CB-O 3.02Å; S48-G52 PolarHBondContact N-O 2.91Å; S48-G52 WeakPolarHBondContact O-CA 3.26Å; S48-G52 PolarHBondContact O-N 2.02Å; S48-G52 VanDerWaalsContact O-O 3.12Å
53C93.5Very high92.3Very high10 Ų1060.6 Ų60.67%0.06833%0.334CS..EExtended strand (participates in β ladder)trans-76.3132175.9-1640000112.3C44 K55 I62 G73 C75C44-C53 VanDerWaalsContact CA-SG 3.59Å; C44-C53 HydrophobicContact CB-CB 3.9Å; C44-C53 WeakPolarHBondContact CB-SG 3.45Å; C44-C53 WeakPolarHBondContact SG-CA 3.43Å; C44-C53 WeakPolarHBondContact SG-CB 3.1Å; C44-C53 CovalentContact SG-SG 2.03Å; C44-C53 PolarHBondContact SG-SG 3.41Å; C53-K55 PolarHBondContact SG-O 2.04Å; C53-I62 WeakPolarHBondContact O-CD1 3.43Å; C53-G73 WeakPolarHBondContact CB-O 3.41Å; C53-G73 PolarHBondContact N-O 2.74Å; C53-G73 WeakPolarHBondContact O-CA 3.33Å; C53-C75 PolarHBondContact SG-SG 3.49Å
54L92Very high92.5Very high87 Ų8763.6 Ų63.646%0.45534%0.343SS..EExtended strand (participates in β ladder)trans-95.1-32.4173-55.2177.7000111.7L46 N51L46-L54 HydrophobicContact CB-CB 4.35Å; L46-L54 WeakPolarHBondContact O-CA 3.42Å; L46-L54 WeakPolarHBondContact O-CB 3.19Å; L46-L54 PolarHBondContact O-N 2.97Å; N51-L54 HydrophobicContact CB-CD2 3.79Å
55K93Very high92.5Very high87 Ų8767.2 Ų67.238%0.37836%0.358SS..EExtended strand (participates in β ladder)trans-144118.1177.5-168.1-169.8177.3-147.40111.7E45 L46 C53E45-K55 PolarHBondContact N-O 3.27Å; E45-K55 WeakPolarHBondContact OE2-CD 3.27Å; E45-K55 VanDerWaalsContact OE2-CE 3.3Å; E45-K55 WeakPolarHBondContact OE2-CE 3.41Å; E45-K55 IonicContact OE2-NZ 3.62Å; E45-K55 PolarHBondContact OE2-NZ 3.4Å; L46-K55 HydrophobicContact CB-CB 4.05Å; L46-K55 HydrophobicContact CD1-CB 4.09Å; L46-K55 HydrophobicContact CD1-CD 4.31Å; L46-K55 HydrophobicContact CG-CB 4.29Å; L46-K55 PolarHBondContact N-O 2.92Å; L46-K55 PolarHBondContact O-N 2.99Å; L46-K55 VanDerWaalsContact O-N 3.13Å; C53-K55 PolarHBondContact SG-O 2.04Å
56C94.6Very high92.4Very high13 Ų1372.1 Ų72.19%0.08837%0.373CS..EExtended strand (participates in β ladder)trans-81.8157.4172.4-58.90000112.2G43 L60 C75G43-C56 CarbonylContact O-C 3.59Å; G43-C56 WeakPolarHBondContact O-CA 3.34Å; C56-L60 HydrophobicContact CB-CB 4.16Å; C56-C75 WeakPolarHBondContact CA-SG 3.29Å; C56-C75 HydrophobicContact CB-CB 3.83Å; C56-C75 WeakPolarHBondContact CB-SG 3.35Å; C56-C75 WeakPolarHBondContact SG-CA 3.04Å; C56-C75 WeakPolarHBondContact SG-CB 3.33Å; C56-C75 CovalentContact SG-SG 2.03Å; C56-C75 PolarHBondContact SG-SG 2.99Å
57S93.1Very high92.2Very high39 Ų3971.4 Ų71.427%0.27337%0.37SS..  trans-58.7147.2169.8-59.60000111.5G43 E45 K59 L60G43-S57 PolarHBondContact O-N 3.01Å; G43-S57 PolarHBondContact O-OG 3.41Å; E45-S57 WeakPolarHBondContact OE1-CA 3.37Å; S57-K59 PolarHBondContact O-N 3.38Å; S57-L60 PolarHBondContact O-N 3.44Å
58P89.7Confident91.9Very high102 Ų10275.6 Ų75.666%0.66239%0.389SS*.THydrogen-bonded Turntrans-64.9-9.8-164.723.2-35.7000116.4E45 N92E45-P58 VanDerWaalsContact OE1-CD 3.31Å; E45-P58 WeakPolarHBondContact OE1-CD 3.25Å; P58-N92 PolarHBondContact O-ND2 3.45Å
59K91.1Very high91.7Very high186 Ų18681.3 Ų81.381%0.80941%0.414SS*.THydrogen-bonded Turntrans-91.8-6.9173.9-65.6-173.5178.6-177.80114.1S57S57-K59 PolarHBondContact O-N 3.38Å
60L95.1Very high91.7Very high37 Ų3780.4 Ų80.419%0.19440%0.403CS..SBendtrans-109.4161.1-175.5-57179.7000111.1C56 S57 C75 L76 P77 N92C56-L60 HydrophobicContact CB-CB 4.16Å; S57-L60 PolarHBondContact O-N 3.44Å; L60-C75 HydrophobicContact CB-CB 4.45Å; L60-C75 HydrophobicContact CD1-CB 3.99Å; L60-L76 WeakPolarHBondContact CA-O 3.44Å; L60-L76 WeakPolarHBondContact CB-O 3.29Å; L60-P77 HydrophobicContact CD2-CB 4.19Å; L60-N92 PolarHBondContact O-ND2 2.95Å
61F95.9Very high91.9Very high4 Ų481.7 Ų81.72%0.01840%0.404CS..EExtended strand (participates in β ladder)trans-105.9136.7175.2-60.8-98.7000109.6C75 L76 D85 R87 N92F61-C75 WeakPolarHBondContact O-CA 2.96Å; F61-L76 PolarHBondContact N-O 3.05Å; F61-L76 PolarHBondContact O-N 2.86Å; F61-D85 HydrophobicContact CD1-CB 4.17Å; F61-D85 VanDerWaalsContact CE1-C 3.47Å; F61-D85 HydrophobicContact CE1-CB 3.5Å; F61-D85 VanDerWaalsContact CE1-CB 3.5Å; F61-D85 HydrophobicContact CE2-CB 4.3Å; F61-D85 HydrophobicContact CZ-CB 3.58Å; F61-R87 HydrophobicContact CE1-CG 4.01Å; F61-R87 HydrophobicContact CZ-CG 4.24Å; F61-N92 WeakPolarHBondContact CA-O 3.5Å; F61-N92 HydrophobicContact CB-CB 4.48Å; F61-N92 HydrophobicContact CD1-CB 3.35Å; F61-N92 HydrophobicContact CE1-CB 3.55Å; F61-N92 HydrophobicContact CG-CB 3.93Å; F61-N92 HydrophobicContact CZ-CB 4.28Å
62I95.1Very high91.9Very high9 Ų979.8 Ų79.85%0.04640%0.395CS..EExtended strand (participates in β ladder)trans-87.4120.8170.1-167.5171.4000110.3C53 L64 V74 M91 N92 K93 C94C53-I62 WeakPolarHBondContact O-CD1 3.43Å; I62-L64 HydrophobicContact CD1-CD2 4.18Å; I62-L64 HydrophobicContact CG1-CD2 4.32Å; I62-V74 WeakPolarHBondContact CA-O 3.01Å; I62-M91 HydrophobicContact CD1-CE 4.27Å; I62-M91 HydrophobicContact CG2-CE 3.81Å; I62-N92 PolarHBondContact N-O 2.95Å; I62-K93 HydrophobicContact CG2-CB 4.36Å; I62-K93 HydrophobicContact CG2-CG 3.87Å; I62-K93 WeakPolarHBondContact O-CA 3.42Å; I62-C94 PolarHBondContact O-N 2.92Å
63L95.3Very high92Very high17 Ų1779 Ų799%0.08939%0.387CS..EExtended strand (participates in β ladder)trans-92.6133.8164.4178.664000108.4G73 V74 L76 P80 Y83 C94L63-G73 CarbonylContact O-C 3.58Å; L63-G73 WeakPolarHBondContact O-CA 3.02Å; L63-V74 PolarHBondContact N-O 3.39Å; L63-V74 PolarHBondContact O-N 2.66Å; L63-L76 HydrophobicContact CB-CD1 4.08Å; L63-L76 HydrophobicContact CD2-CD1 3.85Å; L63-P80 HydrophobicContact CD2-CG 3.99Å; L63-Y83 HydrophobicContact CD1-CD1 3.74Å; L63-Y83 HydrophobicContact CD1-CE1 3.47Å; L63-Y83 VanDerWaalsContact CD1-CE1 3.47Å; L63-Y83 HydrophobicContact CD1-CE2 4.45Å; L63-Y83 HydrophobicContact CD1-CG 4.35Å; L63-C94 HydrophobicContact CB-CB 4.1Å; L63-C94 HydrophobicContact CD1-CB 3.7Å
64L93.6Very high92Very high88 Ų8880.8 Ų80.846%0.46140%0.398SS..EExtended strand (participates in β ladder)trans-10092.3171.3-63.2179.3000108.6I62 Q71I62-L64 HydrophobicContact CD1-CD2 4.18Å; I62-L64 HydrophobicContact CG1-CD2 4.32Å; L64-Q71 HydrophobicContact CB-CG 4.01Å
65E92.7Very high92.2Very high93 Ų9378 Ų7844%0.43539%0.385SS..EExtended strand (participates in β ladder)trans-75.5142.5176.3-171.6163.9-131.300109.9Q71 V72E65-Q71 CarbonylContact O-C 3.49Å; E65-Q71 WeakPolarHBondContact O-CA 3.46Å; E65-V72 PolarHBondContact N-O 3.03Å; E65-V72 PolarHBondContact O-N 2.82Å
66R91.3Very high92.3Very high188 Ų18876 Ų7671%0.70938%0.378SS*.EExtended strand (participates in β ladder)trans-121.3108.4-177.5-176.6-176.2176.1171.71.6110.4D68 R70R66-D68 PolarHBondContact NE-O 3.27Å; R66-D68 PolarHBondContact NH2-O 3.03Å; R66-D68 VanDerWaalsContact NH2-O 3.12Å; R66-R70 WeakPolarHBondContact CA-O 3.39Å
67N87.4Confident92.3Very high88 Ų8880.3 Ų80.347%0.47141%0.406SS..EExtended strand (participates in β ladder)trans-107.595.5175.1-62.7-17.9000107.1I69 R70N67-I69 PolarHBondContact O-N 3.46Å; N67-R70 PolarHBondContact N-O 2.82Å; N67-R70 PolarHBondContact O-N 2.76Å
68D85.6Confident92.3Very high139 Ų13981.5 Ų81.574%0.74341%0.414SS*.THydrogen-bonded Turntrans55.5-97.3-175-51.9-55.9000114.5R66R66-D68 PolarHBondContact NE-O 3.27Å; R66-D68 PolarHBondContact NH2-O 3.03Å; R66-D68 VanDerWaalsContact NH2-O 3.12Å
69I88.4Confident92.5Very high167 Ų16777.6 Ų77.686%0.85639%0.389SS*.THydrogen-bonded Turntrans-94-24.3-178.3-52.8173.9000110.3N67N67-I69 PolarHBondContact O-N 3.46Å
70R86.8Confident92.6Very high154 Ų15470.8 Ų70.858%0.58136%0.364SS*.EExtended strand (participates in β ladder)trans-87.8140.5-177-62.4179.1-177.4-103.20.9110.6R66 N67 V72R66-R70 WeakPolarHBondContact CA-O 3.39Å; N67-R70 PolarHBondContact N-O 2.82Å; N67-R70 PolarHBondContact O-N 2.76Å; R70-V72 HydrophobicContact CB-CG2 4.49Å
71Q91.8Very high92.3Very high108 Ų10874 Ų7451%0.50539%0.387SS..EExtended strand (participates in β ladder)trans-119122.3169.3-173.4168.848.600108.7L64 E65L64-Q71 HydrophobicContact CB-CG 4.01Å; E65-Q71 CarbonylContact O-C 3.49Å; E65-Q71 WeakPolarHBondContact O-CA 3.46Å
72V92.9Very high92Very high38 Ų3874.7 Ų74.723%0.2340%0.396CS..EExtended strand (participates in β ladder)trans-121.9126.5-169.8-175.10000109.1N51 E65 R70N51-V72 WeakPolarHBondContact O-CA 3.31Å; E65-V72 PolarHBondContact N-O 3.03Å; E65-V72 PolarHBondContact O-N 2.82Å; R70-V72 HydrophobicContact CB-CG2 4.49Å
73G93.6Very high91.9Very high6 Ų677.6 Ų77.66%0.06241%0.407CS..EExtended strand (participates in β ladder)trans-81.7126.3175.400000112.3N51 C53 L63N51-G73 PolarHBondContact O-N 2.92Å; C53-G73 WeakPolarHBondContact CB-O 3.41Å; C53-G73 PolarHBondContact N-O 2.74Å; C53-G73 WeakPolarHBondContact O-CA 3.33Å; L63-G73 CarbonylContact O-C 3.58Å; L63-G73 WeakPolarHBondContact O-CA 3.02Å
74V93.8Very high91.8Very high47 Ų4777.9 Ų77.929%0.28541%0.407SS..EExtended strand (participates in β ladder)trans-122.4134.2178.3-176.70000109.1I62 L63 L76I62-V74 WeakPolarHBondContact CA-O 3.01Å; L63-V74 PolarHBondContact N-O 3.39Å; L63-V74 PolarHBondContact O-N 2.66Å; V74-L76 HydrophobicContact CG1-CD2 4.11Å; V74-L76 HydrophobicContact CG1-CG 4.36Å
75C95.5Very high91.8Very high27 Ų2776.6 Ų76.618%0.18240%0.401CS..EExtended strand (participates in β ladder)trans-94.7122.7179.2-57.90000111.2C53 C56 L60 F61C53-C75 PolarHBondContact SG-SG 3.49Å; C56-C75 WeakPolarHBondContact CA-SG 3.29Å; C56-C75 HydrophobicContact CB-CB 3.83Å; C56-C75 WeakPolarHBondContact CB-SG 3.35Å; C56-C75 WeakPolarHBondContact SG-CA 3.04Å; C56-C75 WeakPolarHBondContact SG-CB 3.33Å; C56-C75 CovalentContact SG-SG 2.03Å; C56-C75 PolarHBondContact SG-SG 2.99Å; L60-C75 HydrophobicContact CB-CB 4.45Å; L60-C75 HydrophobicContact CD1-CB 3.99Å; F61-C75 WeakPolarHBondContact O-CA 2.96Å
76L95Very high91.9Very high46 Ų4672.7 Ų72.724%0.24138%0.384CS..EExtended strand (participates in β ladder)trans-125150.7-178.3-60.7177000111.3L60 F61 L63 V74 S78L60-L76 WeakPolarHBondContact CA-O 3.44Å; L60-L76 WeakPolarHBondContact CB-O 3.29Å; F61-L76 PolarHBondContact N-O 3.05Å; F61-L76 PolarHBondContact O-N 2.86Å; L63-L76 HydrophobicContact CB-CD1 4.08Å; L63-L76 HydrophobicContact CD2-CD1 3.85Å; V74-L76 HydrophobicContact CG1-CD2 4.11Å; V74-L76 HydrophobicContact CG1-CG 4.36Å; L76-S78 WeakPolarHBondContact CB-O 3.33Å
77P94.2Very high91.9Very high103 Ų10372.8 Ų72.867%0.66938%0.384SS*.SBendtrans-73.9-26.8176.929.9-34.5000113.3L60L60-P77 HydrophobicContact CD2-CB 4.19Å
78S93.3Very high92.1Very high64 Ų6471.7 Ų71.745%0.44838%0.379SS..SBendtrans-156.3158.3170-176.60000107.7L76 D85L76-S78 WeakPolarHBondContact CB-O 3.33Å; S78-D85 PolarHBondContact OG-OD1 3.26Å; S78-D85 PolarHBondContact OG-OD2 3.18Å
79C93.8Very high92.3Very high20 Ų2071.5 Ų71.514%0.13539%0.385CS..PPolyproline II helixtrans-80.9151.1-170-62.60000113.7D85 C94C79-D85 VanDerWaalsContact CB-OD1 3.26Å; C79-D85 WeakPolarHBondContact CB-OD1 3.47Å; C79-D85 PolarHBondContact N-OD1 2.83Å; C79-D85 PolarHBondContact SG-OD1 2.92Å; C79-C94 VanDerWaalsContact CA-SG 3.55Å; C79-C94 HydrophobicContact CB-CB 3.76Å; C79-C94 WeakPolarHBondContact CB-SG 3.33Å; C79-C94 WeakPolarHBondContact SG-CA 3.41Å; C79-C94 WeakPolarHBondContact SG-CB 3.46Å; C79-C94 CovalentContact SG-SG 2.03Å; C79-C94 PolarHBondContact SG-SG 3.36Å
80P92.9Very high92.2Very high44 Ų4469.5 Ų69.529%0.28638%0.376SS..PPolyproline II helixtrans-73.2165.6-179.531.3-36.1000112.4L63 Y83L63-P80 HydrophobicContact CD2-CG 3.99Å; P80-Y83 HydrophobicContact CG-CD2 3.94Å; P80-Y83 HydrophobicContact CG-CE2 4.49Å; P80-Y83 HydrophobicContact CG-CG 4.42Å; P80-Y83 WeakPolarHBondContact O-CB 3.37Å; P80-Y83 PolarHBondContact O-N 2.87Å
81P90.3Very high92.3Very high103 Ų10365 Ų6567%0.66936%0.362SS*.THydrogen-bonded Turntrans-49.9142.1174.6-28.135.8000113.1Y83P81-Y83 VanDerWaalsContact C-N 3.29Å
82G88.8Confident92.4Very high20 Ų2060.9 Ų60.921%0.20634%0.344CS..THydrogen-bonded Turntrans79.72.4-171.300000115K96 C97 E103G82-K96 CarbonylContact O-C 3.51Å; G82-K96 WeakPolarHBondContact O-CA 3.04Å; G82-K96 WeakPolarHBondContact O-CG 3.24Å; G82-C97 PolarHBondContact O-N 3.39Å; G82-E103 WeakPolarHBondContact CA-O 3.47Å; G82-E103 PolarHBondContact N-O 2.85Å
83Y92.3Very high92.5Very high70 Ų7062.9 Ų62.928%0.27535%0.349SS..EExtended strand (participates in β ladder)trans-125.8163.6173.5-65.7-107.8000111.1L63 P80 P81 C94 I95 K96L63-Y83 HydrophobicContact CD1-CD1 3.74Å; L63-Y83 HydrophobicContact CD1-CE1 3.47Å; L63-Y83 VanDerWaalsContact CD1-CE1 3.47Å; L63-Y83 HydrophobicContact CD1-CE2 4.45Å; L63-Y83 HydrophobicContact CD1-CG 4.35Å; P80-Y83 HydrophobicContact CG-CD2 3.94Å; P80-Y83 HydrophobicContact CG-CE2 4.49Å; P80-Y83 HydrophobicContact CG-CG 4.42Å; P80-Y83 WeakPolarHBondContact O-CB 3.37Å; P80-Y83 PolarHBondContact O-N 2.87Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; Y83-C94 HydrophobicContact CD1-CB 3.98Å; Y83-C94 HydrophobicContact CG-CB 4.44Å; Y83-I95 CarbonylContact C-O 3.6Å; Y83-I95 VanDerWaalsContact CA-O 3.26Å; Y83-I95 WeakPolarHBondContact CA-O 3.35Å; Y83-K96 HydrophobicContact CD1-CB 3.98Å; Y83-K96 HydrophobicContact CE1-CB 3.77Å; Y83-K96 HydrophobicContact CE1-CG 4.25Å; Y83-K96 HydrophobicContact CE2-CG 4.34Å
84F94.2Very high92.5Very high23 Ų2363.2 Ų63.210%0.10135%0.35CS..EExtended strand (participates in β ladder)trans-128.7150.3173.471.5-88000113A86 I95 C105 H108F84-A86 HydrophobicContact CD2-CB 4.22Å; F84-A86 HydrophobicContact CE2-CB 3.88Å; F84-A86 PolarHBondContact O-N 3Å; F84-I95 HydrophobicContact CD1-CB 4.1Å; F84-I95 HydrophobicContact CD1-CG2 4.36Å; F84-I95 WeakPolarHBondContact CD1-O 3.02Å; F84-I95 HydrophobicContact CE1-CB 3.6Å; F84-I95 HydrophobicContact CE1-CG2 3.51Å; F84-I95 HydrophobicContact CE2-CB 4.31Å; F84-I95 HydrophobicContact CZ-CB 3.72Å; F84-I95 HydrophobicContact CZ-CD1 4.23Å; F84-I95 HydrophobicContact CZ-CG1 4.5Å; F84-I95 HydrophobicContact CZ-CG2 3.76Å; F84-I95 PolarHBondContact N-O 3.2Å; F84-I95 PolarHBondContact O-N 2.84Å; F84-C105 WeakPolarHBondContact CB-O 3.43Å; F84-C105 VanDerWaalsContact CD1-SG 3.52Å; F84-H108 HydrophobicContact CE1-CB 4.28Å; F84-H108 HydrophobicContact CZ-CB 4.24Å
85D93.7Very high92.5Very high61 Ų6164 Ų6433%0.32635%0.353SS..EExtended strand (participates in β ladder)trans-72.777.8-177.5-78.70.6000111.6F61 S78 C79 R87F61-D85 HydrophobicContact CD1-CB 4.17Å; F61-D85 VanDerWaalsContact CE1-C 3.47Å; F61-D85 HydrophobicContact CE1-CB 3.5Å; F61-D85 VanDerWaalsContact CE1-CB 3.5Å; F61-D85 HydrophobicContact CE2-CB 4.3Å; F61-D85 HydrophobicContact CZ-CB 3.58Å; S78-D85 PolarHBondContact OG-OD1 3.26Å; S78-D85 PolarHBondContact OG-OD2 3.18Å; C79-D85 VanDerWaalsContact CB-OD1 3.26Å; C79-D85 WeakPolarHBondContact CB-OD1 3.47Å; C79-D85 PolarHBondContact N-OD1 2.83Å; C79-D85 PolarHBondContact SG-OD1 2.92Å; D85-R87 PolarHBondContact O-N 3.2Å
86A93.6Very high92.3Very high10 Ų1069.2 Ų69.28%0.08337%0.372CS..EExtended strand (participates in β ladder)trans-79.7118.8179.800000111.8F84 N92 K93 I95F84-A86 HydrophobicContact CD2-CB 4.22Å; F84-A86 HydrophobicContact CE2-CB 3.88Å; F84-A86 PolarHBondContact O-N 3Å; A86-N92 CarbonylContact O-C 3.58Å; A86-N92 VanDerWaalsContact O-CA 3.27Å; A86-N92 WeakPolarHBondContact O-CA 3.35Å; A86-K93 VanDerWaalsContact CB-O 3.31Å; A86-K93 WeakPolarHBondContact CB-O 3.33Å; A86-K93 PolarHBondContact N-O 2.84Å; A86-K93 PolarHBondContact O-N 2.72Å; A86-I95 HydrophobicContact CB-CB 4.38Å; A86-I95 HydrophobicContact CB-CD1 3.43Å; A86-I95 VanDerWaalsContact CB-CD1 3.43Å; A86-I95 HydrophobicContact CB-CG1 3.68Å
87R92.8Very high92.2Very high190 Ų19068 Ų6872%0.71737%0.367SS*.EExtended strand (participates in β ladder)trans-99.398.3176.4-62.1178-176.3-108.9-1.5109.9F61 D85F61-R87 HydrophobicContact CE1-CG 4.01Å; F61-R87 HydrophobicContact CZ-CG 4.24Å; D85-R87 PolarHBondContact O-N 3.2Å
88N89.9Confident92Very high66 Ų6671.5 Ų71.535%0.35337%0.372SS..  trans-96.3154.5173.2-6781.5000110.4D90 M91N88-D90 PolarHBondContact O-N 2.72Å; N88-M91 WeakPolarHBondContact CB-O 3.16Å; N88-M91 PolarHBondContact O-N 3.31Å
89P90.1Very high91.9Very high134 Ų13469.6 Ų69.687%0.8736%0.356SS*.SBendtrans-56.3-30.7177.1-26.635.9000114.5
90D87.1Confident91.7Very high126 Ų12676.2 Ų76.267%0.67439%0.385SS*.SBendtrans-82.4-41.1-174.8-33.9-78.6000112.9N88N88-D90 PolarHBondContact O-N 2.72Å
91M89.1Confident91.6Very high59 Ų5979.1 Ų79.129%0.29140%0.395SS..  trans-173.5142-174.962-147.7-78.400109.7I62 N88 K93I62-M91 HydrophobicContact CD1-CE 4.27Å; I62-M91 HydrophobicContact CG2-CE 3.81Å; N88-M91 WeakPolarHBondContact CB-O 3.16Å; N88-M91 PolarHBondContact O-N 3.31Å; M91-K93 HydrophobicContact CG-CD 4.26Å; M91-K93 HydrophobicContact CG-CG 3.99Å; M91-K93 WeakPolarHBondContact SD-CE 3.34Å
92N94Very high91.7Very high22 Ų2274.8 Ų74.812%0.11837%0.367CS..EExtended strand (participates in β ladder)trans-74.6139.9172.5-32.5-78000110.4P58 L60 F61 I62 A86P58-N92 PolarHBondContact O-ND2 3.45Å; L60-N92 PolarHBondContact O-ND2 2.95Å; F61-N92 WeakPolarHBondContact CA-O 3.5Å; F61-N92 HydrophobicContact CB-CB 4.48Å; F61-N92 HydrophobicContact CD1-CB 3.35Å; F61-N92 HydrophobicContact CE1-CB 3.55Å; F61-N92 HydrophobicContact CG-CB 3.93Å; F61-N92 HydrophobicContact CZ-CB 4.28Å; I62-N92 PolarHBondContact N-O 2.95Å; A86-N92 CarbonylContact O-C 3.58Å; A86-N92 VanDerWaalsContact O-CA 3.27Å; A86-N92 WeakPolarHBondContact O-CA 3.35Å
93K94.1Very high91.8Very high79 Ų7976.8 Ų76.834%0.34337%0.371SS..EExtended strand (participates in β ladder)trans-132.9145.8-173.8-58.6-178.1-177177.80111.4I62 A86 M91 I95I62-K93 HydrophobicContact CG2-CB 4.36Å; I62-K93 HydrophobicContact CG2-CG 3.87Å; I62-K93 WeakPolarHBondContact O-CA 3.42Å; A86-K93 VanDerWaalsContact CB-O 3.31Å; A86-K93 WeakPolarHBondContact CB-O 3.33Å; A86-K93 PolarHBondContact N-O 2.84Å; A86-K93 PolarHBondContact O-N 2.72Å; M91-K93 HydrophobicContact CG-CD 4.26Å; M91-K93 HydrophobicContact CG-CG 3.99Å; M91-K93 WeakPolarHBondContact SD-CE 3.34Å; K93-I95 HydrophobicContact CB-CG1 4.4Å; K93-I95 PolarHBondContact O-N 2.82Å
94C94.6Very high91.7Very high13 Ų1375 Ų759%0.08837%0.37CS..EExtended strand (participates in β ladder)trans-83.2110.5165.5-63.20000109.8I62 L63 C79 Y83I62-C94 PolarHBondContact O-N 2.92Å; L63-C94 HydrophobicContact CB-CB 4.1Å; L63-C94 HydrophobicContact CD1-CB 3.7Å; C79-C94 VanDerWaalsContact CA-SG 3.55Å; C79-C94 HydrophobicContact CB-CB 3.76Å; C79-C94 WeakPolarHBondContact CB-SG 3.33Å; C79-C94 WeakPolarHBondContact SG-CA 3.41Å; C79-C94 WeakPolarHBondContact SG-CB 3.46Å; C79-C94 CovalentContact SG-SG 2.03Å; C79-C94 PolarHBondContact SG-SG 3.36Å; Y83-C94 HydrophobicContact CD1-CB 3.98Å; Y83-C94 HydrophobicContact CG-CB 4.44Å
95I92.6Very high91.6Very high65 Ų6574.4 Ų74.433%0.33337%0.369SS..EExtended strand (participates in β ladder)trans-102.6130.1177.7-59.3-177.5000108.9Y83 F84 A86 K93Y83-I95 CarbonylContact C-O 3.6Å; Y83-I95 VanDerWaalsContact CA-O 3.26Å; Y83-I95 WeakPolarHBondContact CA-O 3.35Å; F84-I95 HydrophobicContact CD1-CB 4.1Å; F84-I95 HydrophobicContact CD1-CG2 4.36Å; F84-I95 WeakPolarHBondContact CD1-O 3.02Å; F84-I95 HydrophobicContact CE1-CB 3.6Å; F84-I95 HydrophobicContact CE1-CG2 3.51Å; F84-I95 HydrophobicContact CE2-CB 4.31Å; F84-I95 HydrophobicContact CZ-CB 3.72Å; F84-I95 HydrophobicContact CZ-CD1 4.23Å; F84-I95 HydrophobicContact CZ-CG1 4.5Å; F84-I95 HydrophobicContact CZ-CG2 3.76Å; F84-I95 PolarHBondContact N-O 3.2Å; F84-I95 PolarHBondContact O-N 2.84Å; A86-I95 HydrophobicContact CB-CB 4.38Å; A86-I95 HydrophobicContact CB-CD1 3.43Å; A86-I95 VanDerWaalsContact CB-CD1 3.43Å; A86-I95 HydrophobicContact CB-CG1 3.68Å; K93-I95 HydrophobicContact CB-CG1 4.4Å; K93-I95 PolarHBondContact O-N 2.82Å
96K91.6Very high91.5Very high136 Ų13679 Ų7959%0.59139%0.386SS*.EExtended strand (participates in β ladder)trans-65.9135.4-179.9-164.1171.8-176.7169.30110.9G82 Y83 K98G82-K96 CarbonylContact O-C 3.51Å; G82-K96 WeakPolarHBondContact O-CA 3.04Å; G82-K96 WeakPolarHBondContact O-CG 3.24Å; Y83-K96 HydrophobicContact CD1-CB 3.98Å; Y83-K96 HydrophobicContact CE1-CB 3.77Å; Y83-K96 HydrophobicContact CE1-CG 4.25Å; Y83-K96 HydrophobicContact CE2-CG 4.34Å; K96-K98 PolarHBondContact O-N 2.04Å
97C92.4Very high91.3Very high20 Ų2079.9 Ų79.914%0.13539%0.392CS..PPolyproline II helixtrans-59.2131.4173.9-63.30000110.2G82 C105G82-C97 PolarHBondContact O-N 3.39Å; C97-C105 VanDerWaalsContact CA-SG 3.51Å; C97-C105 HydrophobicContact CB-CB 4.03Å; C97-C105 WeakPolarHBondContact CB-SG 3.27Å; C97-C105 WeakPolarHBondContact SG-CB 3.31Å; C97-C105 CovalentContact SG-SG 2.04Å; C97-C105 PolarHBondContact SG-SG 2.83Å
98K91.3Very high91Very high176 Ų17675.7 Ų75.777%0.76538%0.381SS*.  trans-984.8177-66.7-170.8176.3-1740113.4K96K96-K98 PolarHBondContact O-N 2.04Å
99I91.1Very high91Very high24 Ų2476.8 Ų76.812%0.12339%0.386CS..SBendtrans-93.2125.4-174.4-51.4170000107.9C102 C105 H108 F110 C111I99-C102 HydrophobicContact CB-CB 3.86Å; I99-C102 HydrophobicContact CG2-CB 4.07Å; I99-C102 WeakPolarHBondContact O-CB 3.24Å; I99-C102 PolarHBondContact O-N 2.67Å; I99-C105 HydrophobicContact CD1-CB 4.14Å; I99-H108 WeakPolarHBondContact CG1-O 3.3Å; I99-F110 VanDerWaalsContact CD1-C 3.47Å; I99-C111 HydrophobicContact CD1-CB 3.85Å; I99-C111 HydrophobicContact CG2-CB 4.29Å
100E89.9Confident91.1Very high160 Ų16075 Ų7575%0.74837%0.365SS*.THydrogen-bonded Turntrans-62.6144.9178.7-58.7-172.9152.100111.1C102E100-C102 PolarHBondContact O-N 2.95Å
101H90.4Very high91.4Very high105 Ų10569 Ų6949%0.48633%0.333SS..THydrogen-bonded Turntrans52.718.9-179.4-58-92000116.1K115 L118 C125H101-K115 WeakPolarHBondContact O-CB 3.48Å; H101-K115 WeakPolarHBondContact O-CG 3.44Å; H101-K115 PolarHBondContact O-N 3.02Å; H101-L118 HydrophobicContact CB-CD1 4.01Å; H101-L118 HydrophobicContact CB-CD2 3.47Å; H101-L118 VanDerWaalsContact CB-CD2 3.47Å; H101-L118 HydrophobicContact CB-CG 4.34Å; H101-C125 HydrophobicContact CB-CB 4.28Å
102C92.2Very high91.5Very high12 Ų1269.7 Ų69.78%0.08134%0.34CS..EExtended strand (participates in β ladder)trans-87143.4173.6-170.30000111.3I99 E100 A104 C111I99-C102 HydrophobicContact CB-CB 3.86Å; I99-C102 HydrophobicContact CG2-CB 4.07Å; I99-C102 WeakPolarHBondContact O-CB 3.24Å; I99-C102 PolarHBondContact O-N 2.67Å; E100-C102 PolarHBondContact O-N 2.95Å; C102-A104 VanDerWaalsContact SG-C 3.54Å; C102-A104 PolarHBondContact SG-O 3.43Å; C102-C111 VanDerWaalsContact CA-SG 3.6Å; C102-C111 HydrophobicContact CB-CB 4.03Å; C102-C111 WeakPolarHBondContact CB-SG 3.43Å; C102-C111 WeakPolarHBondContact SG-CB 3.36Å; C102-C111 CovalentContact SG-SG 2.04Å; C102-C111 PolarHBondContact SG-SG 2.84Å
103E90.6Very high91.2Very high62 Ų6273.7 Ų73.729%0.2936%0.357SS..EExtended strand (participates in β ladder)trans-101.5-47.6173.2-174.3-166.1133.800111.1G82 K113 K115G82-E103 WeakPolarHBondContact CA-O 3.47Å; G82-E103 PolarHBondContact N-O 2.85Å; E103-K113 WeakPolarHBondContact CB-O 3.49Å; E103-K113 PolarHBondContact N-O 3.15Å; E103-K113 IonicContact OE1-NZ 2.76Å; E103-K113 PolarHBondContact OE1-NZ 2.83Å; E103-K113 WeakPolarHBondContact OE2-CD 3.14Å; E103-K113 WeakPolarHBondContact OE2-CE 3.41Å; E103-K113 IonicContact OE2-NZ 3.86Å; E103-K113 PolarHBondContact OE2-NZ 3.5Å; E103-K115 HydrophobicContact CB-CG 4.5Å
104A89.8Confident91.1Very high32 Ų3270.7 Ų70.726%0.26435%0.345SS..EExtended strand (participates in β ladder)trans-129.5132.8175.400000109.9C102 C111 T112 K113C102-A104 VanDerWaalsContact SG-C 3.54Å; C102-A104 PolarHBondContact SG-O 3.43Å; A104-C111 PolarHBondContact O-SG 2.87Å; A104-C111 VanDerWaalsContact O-SG 3.32Å; A104-T112 PolarHBondContact O-N 3.3Å; A104-T112 PolarHBondContact O-OG1 3.25Å; A104-T112 VanDerWaalsContact O-OG1 3.06Å; A104-K113 HydrophobicContact CB-CB 4.06Å; A104-K113 PolarHBondContact N-O 3.19Å; A104-K113 VanDerWaalsContact N-O 3.15Å; A104-K113 PolarHBondContact O-N 2.84Å
105C93Very high90.9Very high10 Ų1075.3 Ų75.37%0.06836%0.364CS..EExtended strand (participates in β ladder)trans-123.4149.3175.468.60000111.2F84 C97 I99 F110F84-C105 WeakPolarHBondContact CB-O 3.43Å; F84-C105 VanDerWaalsContact CD1-SG 3.52Å; C97-C105 VanDerWaalsContact CA-SG 3.51Å; C97-C105 HydrophobicContact CB-CB 4.03Å; C97-C105 WeakPolarHBondContact CB-SG 3.27Å; C97-C105 WeakPolarHBondContact SG-CB 3.31Å; C97-C105 CovalentContact SG-SG 2.04Å; C97-C105 PolarHBondContact SG-SG 2.83Å; I99-C105 HydrophobicContact CD1-CB 4.14Å; C105-F110 CarbonylContact C-O 3.49Å; C105-F110 WeakPolarHBondContact CA-O 3Å; C105-F110 WeakPolarHBondContact CB-O 3.43Å
106F91.5Very high90.7Very high157 Ų15780.7 Ų80.769%0.68939%0.388SS*.EExtended strand (participates in β ladder)trans-87.7-29.3171.3177.2-104.9000111.3F110 T112F106-F110 HydrophobicContact CB-CD1 4.15Å; F106-F110 PolarHBondContact N-O 2.74Å; F106-T112 HydrophobicContact CB-CG2 3.78Å
107S90.1Very high90.5Very high30 Ų3076.7 Ų76.721%0.2139%0.385CS..EExtended strand (participates in β ladder)trans-150.4172.8175.675.80000111.3N109 F110S107-N109 PolarHBondContact O-N 3.15Å; S107-N109 PolarHBondContact OG-N 2.87Å; S107-F110 PolarHBondContact N-O 2.91Å; S107-F110 PolarHBondContact O-N 2.72Å; S107-F110 VanDerWaalsContact O-N 3.16Å; S107-F110 WeakPolarHBondContact OG-CB 3.02Å; S107-F110 PolarHBondContact OG-N 2.75Å
108H86.4Confident90.3Very high102 Ų10276.8 Ų76.847%0.47238%0.384SS..THydrogen-bonded Turntrans-54.3-21.3176.169.4-88.5000115.1F84 I99F84-H108 HydrophobicContact CE1-CB 4.28Å; F84-H108 HydrophobicContact CZ-CB 4.24Å; I99-H108 WeakPolarHBondContact CG1-O 3.3Å
109N89.1Confident90.2Very high88 Ų8872.3 Ų72.347%0.47136%0.363SS..THydrogen-bonded Turntrans-117.9-5.1179.9-82.5-20.2000114.3S107S107-N109 PolarHBondContact O-N 3.15Å; S107-N109 PolarHBondContact OG-N 2.87Å
110F92.5Very high90.1Very high98 Ų9872.5 Ų72.543%0.4336%0.364SS..EExtended strand (participates in β ladder)trans-127.7103.7-175.4-163.7-81.4000111.7I99 C105 F106 S107 T112I99-F110 VanDerWaalsContact CD1-C 3.47Å; C105-F110 CarbonylContact C-O 3.49Å; C105-F110 WeakPolarHBondContact CA-O 3Å; C105-F110 WeakPolarHBondContact CB-O 3.43Å; F106-F110 HydrophobicContact CB-CD1 4.15Å; F106-F110 PolarHBondContact N-O 2.74Å; S107-F110 PolarHBondContact N-O 2.91Å; S107-F110 PolarHBondContact O-N 2.72Å; S107-F110 VanDerWaalsContact O-N 3.16Å; S107-F110 WeakPolarHBondContact OG-CB 3.02Å; S107-F110 PolarHBondContact OG-N 2.75Å; F110-T112 HydrophobicContact CD1-CG2 4.16Å; F110-T112 HydrophobicContact CE1-CG2 4.11Å
111C92.6Very high90.1Very high0 Ų065.9 Ų65.90%033%0.333CS..EExtended strand (participates in β ladder)trans-76.4141.4169.8-164.50000110.1I99 C102 A104 K113 L120 G123I99-C111 HydrophobicContact CD1-CB 3.85Å; I99-C111 HydrophobicContact CG2-CB 4.29Å; C102-C111 VanDerWaalsContact CA-SG 3.6Å; C102-C111 HydrophobicContact CB-CB 4.03Å; C102-C111 WeakPolarHBondContact CB-SG 3.43Å; C102-C111 WeakPolarHBondContact SG-CB 3.36Å; C102-C111 CovalentContact SG-SG 2.04Å; C102-C111 PolarHBondContact SG-SG 2.84Å; A104-C111 PolarHBondContact O-SG 2.87Å; A104-C111 VanDerWaalsContact O-SG 3.32Å; C111-K113 VanDerWaalsContact SG-C 3.55Å; C111-K113 PolarHBondContact SG-O 2.03Å; C111-L120 HydrophobicContact CB-CD1 4.06Å; C111-G123 VanDerWaalsContact CB-O 3.31Å; C111-G123 WeakPolarHBondContact CB-O 3.01Å; C111-G123 PolarHBondContact N-O 2.04Å
112T90.9Very high89.9Confident72 Ų7268.9 Ų68.944%0.44235%0.345SS..EExtended strand (participates in β ladder)trans-109.2-26.1173.748.30000112.4A104 F106 F110A104-T112 PolarHBondContact O-N 3.3Å; A104-T112 PolarHBondContact O-OG1 3.25Å; A104-T112 VanDerWaalsContact O-OG1 3.06Å; F106-T112 HydrophobicContact CB-CG2 3.78Å; F110-T112 HydrophobicContact CD1-CG2 4.16Å; F110-T112 HydrophobicContact CE1-CG2 4.11Å
113K89.3Confident89.7Confident106 Ų10668.4 Ų68.446%0.46134%0.342SS..EExtended strand (participates in β ladder)trans-138.9117.9173.8-169-174174.4-152.20110.3E103 A104 C111E103-K113 WeakPolarHBondContact CB-O 3.49Å; E103-K113 PolarHBondContact N-O 3.15Å; E103-K113 IonicContact OE1-NZ 2.76Å; E103-K113 PolarHBondContact OE1-NZ 2.83Å; E103-K113 WeakPolarHBondContact OE2-CD 3.14Å; E103-K113 WeakPolarHBondContact OE2-CE 3.41Å; E103-K113 IonicContact OE2-NZ 3.86Å; E103-K113 PolarHBondContact OE2-NZ 3.5Å; A104-K113 HydrophobicContact CB-CB 4.06Å; A104-K113 PolarHBondContact N-O 3.19Å; A104-K113 VanDerWaalsContact N-O 3.15Å; A104-K113 PolarHBondContact O-N 2.84Å; C111-K113 VanDerWaalsContact SG-C 3.55Å; C111-K113 PolarHBondContact SG-O 2.03Å
114C91.5Very high89.7Confident16 Ų1671.2 Ų71.211%0.10835%0.35CS..EExtended strand (participates in β ladder)trans-78.1159.1171.4-65.90000111.4L118 C125C114-L118 HydrophobicContact CB-CB 4.29Å; C114-C125 WeakPolarHBondContact CA-SG 3.36Å; C114-C125 HydrophobicContact CB-CB 3.84Å; C114-C125 WeakPolarHBondContact CB-SG 3.05Å; C114-C125 WeakPolarHBondContact SG-CA 3.37Å; C114-C125 WeakPolarHBondContact SG-CB 3.05Å; C114-C125 CovalentContact SG-SG 2.03Å; C114-C125 PolarHBondContact SG-SG 2.94Å
115K90.8Very high89.8Confident111 Ų11170.5 Ų70.548%0.48334%0.343SS..PPolyproline II helixtrans-64.1154.7167.1-69.7-178.5-178.4-172.50110.7H101 E103 G117 L118H101-K115 WeakPolarHBondContact O-CB 3.48Å; H101-K115 WeakPolarHBondContact O-CG 3.44Å; H101-K115 PolarHBondContact O-N 3.02Å; E103-K115 HydrophobicContact CB-CG 4.5Å; K115-G117 PolarHBondContact O-N 2.95Å; K115-L118 HydrophobicContact CB-CD1 4.31Å; K115-L118 PolarHBondContact O-N 3.47Å
116E88.4Confident89.7Confident178 Ų17873.8 Ų73.883%0.83236%0.355SS*.THydrogen-bonded Turntrans-50.1134.7179.5-61.9175-179.600112.2L118E116-L118 VanDerWaalsContact C-N 3.34Å
117G86.1Confident89.6Confident52 Ų5271.6 Ų71.654%0.53636%0.356SS..THydrogen-bonded Turntrans81.34.1-18000000115.5K115K115-G117 PolarHBondContact O-N 2.95Å
118L89.9Confident89.4Confident22 Ų2273.1 Ų73.112%0.11537%0.37CS..  trans-115.5143.3170.2-67.596.8000112H101 C114 K115 E116 C125 Y126H101-L118 HydrophobicContact CB-CD1 4.01Å; H101-L118 HydrophobicContact CB-CD2 3.47Å; H101-L118 VanDerWaalsContact CB-CD2 3.47Å; H101-L118 HydrophobicContact CB-CG 4.34Å; C114-L118 HydrophobicContact CB-CB 4.29Å; K115-L118 HydrophobicContact CB-CD1 4.31Å; K115-L118 PolarHBondContact O-N 3.47Å; E116-L118 VanDerWaalsContact C-N 3.34Å; L118-C125 HydrophobicContact CB-CB 4.29Å; L118-C125 HydrophobicContact CD2-CB 4.19Å; L118-Y126 CarbonylContact C-O 3.58Å; L118-Y126 WeakPolarHBondContact CA-O 3.31Å
119Y88.5Confident89.4Confident81 Ų8169.8 Ų69.832%0.31836%0.358SS..EExtended strand (participates in β ladder)trans-90.7135.6178.4-56.1-91.7000111.6C125 Y126 A135 M140 C142Y119-C125 WeakPolarHBondContact O-CA 3.49Å; Y119-Y126 PolarHBondContact N-O 2.8Å; Y119-Y126 PolarHBondContact O-N 3.09Å; Y119-A135 HydrophobicContact CD1-CB 3.67Å; Y119-A135 HydrophobicContact CE1-CB 3.43Å; Y119-A135 VanDerWaalsContact CE1-CB 3.43Å; Y119-M140 CarbonylContact C-O 3.6Å; Y119-M140 WeakPolarHBondContact CA-O 3.44Å; Y119-C142 WeakPolarHBondContact CB-SG 3.26Å
120L89.7Confident89.1Confident28 Ų2867.8 Ų67.815%0.14735%0.35CS..EExtended strand (participates in β ladder)trans-82.3121.8172.6-17863.8000110.4C111 M140 C142C111-L120 HydrophobicContact CB-CD1 4.06Å; L120-M140 PolarHBondContact N-O 3.19Å; L120-C142 PolarHBondContact O-N 3.4Å
121H88.8Confident88.4Confident22 Ų2272.4 Ų72.410%0.10237%0.373CS..EExtended strand (participates in β ladder)trans-131119.2172.2-178.7-132.2000109.9G123 R124 Y126 P130 C142H121-G123 PolarHBondContact O-N 3.12Å; H121-G123 VanDerWaalsContact O-N 3.09Å; H121-R124 PolarHBondContact N-O 3.32Å; H121-R124 PolarHBondContact O-N 2.8Å; H121-Y126 HydrophobicContact CB-CD2 3.85Å; H121-Y126 HydrophobicContact CB-CE2 3.93Å; H121-P130 VanDerWaalsContact ND1-CG 3.3Å; H121-P130 WeakPolarHBondContact ND1-CG 3.44Å; H121-C142 HydrophobicContact CB-CB 3.75Å; H121-C142 PolarHBondContact CD2-O 2.85Å
122K86.8Confident87.4Confident168 Ų16875.1 Ų75.173%0.7340%0.401SS*.THydrogen-bonded Turntrans49.238.6175-64.1171.9-176.8164.60113.9
123G88Confident86.6Confident2 Ų272.4 Ų72.42%0.02139%0.385CS..THydrogen-bonded Turntrans83.710.4179.800000115.7C111 H121C111-G123 VanDerWaalsContact CB-O 3.31Å; C111-G123 WeakPolarHBondContact CB-O 3.01Å; C111-G123 PolarHBondContact N-O 2.04Å; H121-G123 PolarHBondContact O-N 3.12Å; H121-G123 VanDerWaalsContact O-N 3.09Å
124R90.7Very high85.9Confident120 Ų12069.4 Ų69.445%0.45338%0.377SS..EExtended strand (participates in β ladder)trans-128.4154.3173.3-68.9-172179.1107.71.1111.8H121 Y126H121-R124 PolarHBondContact N-O 3.32Å; H121-R124 PolarHBondContact O-N 2.8Å; R124-Y126 HydrophobicContact CB-CD2 4.46Å; R124-Y126 HydrophobicContact CB-CE2 3.61Å
125C91.9Very high85.2Confident17 Ų1770.3 Ų70.312%0.11539%0.386CS..EExtended strand (participates in β ladder)trans-98.7134.8-177.9-560000110.9H101 C114 L118 Y119H101-C125 HydrophobicContact CB-CB 4.28Å; C114-C125 WeakPolarHBondContact CA-SG 3.36Å; C114-C125 HydrophobicContact CB-CB 3.84Å; C114-C125 WeakPolarHBondContact CB-SG 3.05Å; C114-C125 WeakPolarHBondContact SG-CA 3.37Å; C114-C125 WeakPolarHBondContact SG-CB 3.05Å; C114-C125 CovalentContact SG-SG 2.03Å; C114-C125 PolarHBondContact SG-SG 2.94Å; L118-C125 HydrophobicContact CB-CB 4.29Å; L118-C125 HydrophobicContact CD2-CB 4.19Å; Y119-C125 WeakPolarHBondContact O-CA 3.49Å
126Y89.9Confident84.1Confident80 Ų8067.5 Ų67.531%0.31438%0.383SS..EExtended strand (participates in β ladder)trans-136.2147-179.7-61.1-87000110.7L118 Y119 H121 R124 A128L118-Y126 CarbonylContact C-O 3.58Å; L118-Y126 WeakPolarHBondContact CA-O 3.31Å; Y119-Y126 PolarHBondContact N-O 2.8Å; Y119-Y126 PolarHBondContact O-N 3.09Å; H121-Y126 HydrophobicContact CB-CD2 3.85Å; H121-Y126 HydrophobicContact CB-CE2 3.93Å; R124-Y126 HydrophobicContact CB-CD2 4.46Å; R124-Y126 HydrophobicContact CB-CE2 3.61Å; Y126-A128 VanDerWaalsContact CB-O 3.24Å; Y126-A128 WeakPolarHBondContact CB-O 3.41Å; Y126-A128 PolarHBondContact O-N 3.06Å
127P88.9Confident82.8Confident110 Ų11066.7 Ų66.771%0.71438%0.384SS*.SBendtrans-70.3-19.9177.929.5-35.7000113.2
128A86.1Confident81.8Confident62 Ų6268.1 Ų68.151%0.51240%0.4SS..SBendtrans-146.4157.6171.900000109.1Y126Y126-A128 VanDerWaalsContact CB-O 3.24Å; Y126-A128 WeakPolarHBondContact CB-O 3.41Å; Y126-A128 PolarHBondContact O-N 3.06Å
129C86.1Confident80.9Confident32 Ų3270.5 Ų70.522%0.21642%0.415CS..  trans-69.1130.4175.9-66.70000111.3A135 C142C129-A135 PolarHBondContact SG-N 3.06Å; C129-A135 VanDerWaalsContact SG-N 3.39Å; C129-C142 WeakPolarHBondContact CA-SG 3.13Å; C129-C142 HydrophobicContact CB-CB 3.84Å; C129-C142 WeakPolarHBondContact CB-SG 3.13Å; C129-C142 VanDerWaalsContact SG-CA 3.57Å; C129-C142 WeakPolarHBondContact SG-CB 3.37Å; C129-C142 CovalentContact SG-SG 2.04Å; C129-C142 PolarHBondContact SG-SG 3.18Å
130P84.6Confident80.4Confident47 Ų4771.7 Ų71.731%0.30543%0.425SS..  trans-71.5160.9178.329.3-35.8000112.3H121 G132 S133H121-P130 VanDerWaalsContact ND1-CG 3.3Å; H121-P130 WeakPolarHBondContact ND1-CG 3.44Å; P130-G132 PolarHBondContact O-N 2.84Å; P130-S133 VanDerWaalsContact CD-OG 3.27Å; P130-S133 WeakPolarHBondContact CD-OG 3.05Å; P130-S133 PolarHBondContact O-N 3.27Å; P130-S133 PolarHBondContact O-OG 2.83Å
131E77.3Confident80Confident195 Ų19575.4 Ų75.491%0.91144%0.441SS*.THydrogen-bonded Turntrans-44.3131.9178.6-65.8-59.515700113.3
132G70.8Confident79.7Confident56 Ų5674.9 Ų74.958%0.57744%0.44SS*.THydrogen-bonded Turntrans73.923.4-172.800000114.3P130 P145P130-G132 PolarHBondContact O-N 2.84Å; G132-P145 VanDerWaalsContact C-CD 3.41Å; G132-P145 WeakPolarHBondContact O-CD 3.36Å
133S74.1Confident79Confident16 Ų1670 Ų7011%0.11243%0.427CS..  trans-143.9149.8165.169.40000111.2P130 S143P130-S133 VanDerWaalsContact CD-OG 3.27Å; P130-S133 WeakPolarHBondContact CD-OG 3.05Å; P130-S133 PolarHBondContact O-N 3.27Å; P130-S133 PolarHBondContact O-OG 2.83Å; S133-S143 CarbonylContact C-O 3.6Å; S133-S143 VanDerWaalsContact CA-O 3.24Å; S133-S143 WeakPolarHBondContact CA-O 3.46Å; S133-S143 VanDerWaalsContact CB-O 3.31Å; S133-S143 WeakPolarHBondContact CB-O 3.09Å
134S74.8Confident77.9Confident43 Ų4373.8 Ų73.830%0.30145%0.453SS..EExtended strand (participates in β ladder)trans-135.8136.4179.957.80000109.7S143S134-S143 PolarHBondContact N-O 2.81Å; S134-S143 PolarHBondContact O-N 2.99Å
135A77Confident76.4Confident35 Ų3570.4 Ų70.429%0.28945%0.447SS..EExtended strand (participates in β ladder)trans-64.2137.8168.700000109.6Y119 C129Y119-A135 HydrophobicContact CD1-CB 3.67Å; Y119-A135 HydrophobicContact CE1-CB 3.43Å; Y119-A135 VanDerWaalsContact CE1-CB 3.43Å; C129-A135 PolarHBondContact SG-N 3.06Å; C129-A135 VanDerWaalsContact SG-N 3.39Å
136A68.8Low74.8Confident51 Ų5171.4 Ų71.442%0.42146%0.456SS..  trans-77.6138.6167.700000109.2G138 T139A136-G138 PolarHBondContact O-N 3.43Å; A136-T139 PolarHBondContact O-N 2.04Å
137N61.1Low73.2Confident161 Ų16176.3 Ų76.386%0.86148%0.482SS*.THydrogen-bonded Turntrans-62100.7-178.1-73.7-30.1000110.6
138G65.1Low72.2Confident83 Ų8372.7 Ų72.786%0.85646%0.459SS*.THydrogen-bonded Turntrans120.2-10.6-17900000115.7A136A136-G138 PolarHBondContact O-N 3.43Å
139T69.2Low71.6Confident72 Ų7274.7 Ų74.744%0.44246%0.458SS..  trans-124.1143.3176.359.80000112.8A136 E141A136-T139 PolarHBondContact O-N 2.04Å; T139-E141 PolarHBondContact O-N 3.16Å
140M78.2Confident71.3Confident105 Ų10575.8 Ų75.852%0.51746%0.46SS..SBendtrans-80.843.9174.1-66-174.817900111.4Y119 L120Y119-M140 CarbonylContact C-O 3.6Å; Y119-M140 WeakPolarHBondContact CA-O 3.44Å; L120-M140 PolarHBondContact N-O 3.19Å
141E81.4Confident71.3Confident107 Ų10774.8 Ų74.850%0.545%0.454SS..BIsolated β-bridgetrans-129.5122.5-176.4-65.3-173.5177.900110.7T139 S143T139-E141 PolarHBondContact O-N 3.16Å; E141-S143 PolarHBondContact O-N 3Å
142C82.6Confident71.9Confident10 Ų1074.2 Ų74.27%0.06845%0.452CS..EExtended strand (participates in β ladder)trans-82.2102.1172.2-54.30000109.4Y119 L120 H121 C129Y119-C142 WeakPolarHBondContact CB-SG 3.26Å; L120-C142 PolarHBondContact O-N 3.4Å; H121-C142 HydrophobicContact CB-CB 3.75Å; H121-C142 PolarHBondContact CD2-O 2.85Å; C129-C142 WeakPolarHBondContact CA-SG 3.13Å; C129-C142 HydrophobicContact CB-CB 3.84Å; C129-C142 WeakPolarHBondContact CB-SG 3.13Å; C129-C142 VanDerWaalsContact SG-CA 3.57Å; C129-C142 WeakPolarHBondContact SG-CB 3.37Å; C129-C142 CovalentContact SG-SG 2.04Å; C129-C142 PolarHBondContact SG-SG 3.18Å
143S73.2Confident72.8Confident67 Ų6774.8 Ų74.847%0.46944%0.436SS..EExtended strand (participates in β ladder)trans-76.7151.5160.6-70.90000109.5S133 S134 E141S133-S143 CarbonylContact C-O 3.6Å; S133-S143 VanDerWaalsContact CA-O 3.24Å; S133-S143 WeakPolarHBondContact CA-O 3.46Å; S133-S143 VanDerWaalsContact CB-O 3.31Å; S133-S143 WeakPolarHBondContact CB-O 3.09Å; S134-S143 PolarHBondContact N-O 2.81Å; S134-S143 PolarHBondContact O-N 2.99Å; E141-S143 PolarHBondContact O-N 3Å
144S64.3Low73.6Confident81 Ų8175.9 Ų75.957%0.56644%0.444SS*.PPolyproline II helixtrans-53.8141.9155.847.70000108.5A146S144-A146 PolarHBondContact O-N 2.03Å; S144-A146 VanDerWaalsContact O-N 3.15Å
145P59.9Low74.5Confident48 Ų4879.4 Ų79.431%0.31247%0.466SS..PPolyproline II helixtrans-56.5129.5171.428.6-34.1000106.6G132 Q147 P183G132-P145 VanDerWaalsContact C-CD 3.41Å; G132-P145 WeakPolarHBondContact O-CD 3.36Å; P145-Q147 PolarHBondContact O-N 2.82Å; P145-P183 HydrophobicContact CB-CB 3.92Å
146A56.7Low75.2Confident38 Ų3880.9 Ų80.931%0.31446%0.464SS..  trans-57.4108.5172.600000106.9S144 C148 N181 P183S144-A146 PolarHBondContact O-N 2.03Å; S144-A146 VanDerWaalsContact O-N 3.15Å; A146-C148 PolarHBondContact O-N 3.13Å; A146-N181 HydrophobicContact CB-CB 4.1Å; A146-P183 WeakPolarHBondContact O-CD 3.42Å
147Q56.3Low76.3Confident184 Ų18479.6 Ų79.686%0.8646%0.456SS*.  trans-56.7115.6172.1-68.4-176.2-3.300105.6P145 E149P145-Q147 PolarHBondContact O-N 2.82Å; Q147-E149 VanDerWaalsContact C-N 3.35Å; Q147-E149 WeakPolarHBondContact O-CA 3.4Å; Q147-E149 PolarHBondContact O-N 3.19Å
148C69.6Low77.7Confident34 Ų3476.4 Ų76.423%0.2344%0.444CS..  trans-4195.3-166.5-810000112.2A146 M150 N181 C190A146-C148 PolarHBondContact O-N 3.13Å; C148-M150 HydrophobicContact CB-CE 4.07Å; C148-M150 WeakPolarHBondContact O-CE 3.26Å; C148-M150 PolarHBondContact O-N 3.12Å; C148-N181 CarbonylContact C-O 3.57Å; C148-N181 WeakPolarHBondContact CA-O 3.03Å; C148-C190 HydrophobicContact CB-CB 3.62Å; C148-C190 WeakPolarHBondContact CB-SG 3.35Å; C148-C190 WeakPolarHBondContact SG-CA 3.44Å; C148-C190 WeakPolarHBondContact SG-CB 3.42Å; C148-C190 CovalentContact SG-SG 2.04Å; C148-C190 PolarHBondContact SG-SG 2.96Å
149E72.2Confident79Confident104 Ų10473.6 Ų73.649%0.48641%0.411SS..EExtended strand (participates in β ladder)trans-83.9109.7-169.1-166.5-176.2166.200105.4Q147 L180 N181Q147-E149 VanDerWaalsContact C-N 3.35Å; Q147-E149 WeakPolarHBondContact O-CA 3.4Å; Q147-E149 PolarHBondContact O-N 3.19Å; E149-L180 WeakPolarHBondContact O-CA 3.05Å; E149-L180 WeakPolarHBondContact O-CB 3.48Å; E149-L180 PolarHBondContact O-N 2.78Å; E149-N181 HydrophobicContact CB-CB 3.9Å; E149-N181 PolarHBondContact N-O 2.82Å; E149-N181 PolarHBondContact O-N 3.02Å; E149-N181 PolarHBondContact OE2-ND2 2.75Å
150M79.8Confident80.1Confident54 Ų5471.6 Ų71.627%0.26640%0.4SS..EExtended strand (participates in β ladder)trans-107.6141.7-173.7-71.2168.8-81.900108.8C148 R177 V179 S191C148-M150 HydrophobicContact CB-CE 4.07Å; C148-M150 WeakPolarHBondContact O-CE 3.26Å; C148-M150 PolarHBondContact O-N 3.12Å; M150-R177 PolarHBondContact SD-NH1 3.17Å; M150-V179 HydrophobicContact CG-CG2 4.31Å; M150-S191 WeakPolarHBondContact CE-OG 3.28Å; M150-S191 PolarHBondContact SD-OG 2.91Å
151S84.8Confident80.8Confident26 Ų2671.8 Ų71.818%0.18240%0.398CS..PPolyproline II helixtrans-59.2160.7174.174.80000110.5R178S151-R178 PolarHBondContact N-O 3.38Å; S151-R178 PolarHBondContact OG-N 2.86Å; S151-R178 PolarHBondContact OG-O 2.87Å
152E89.6Confident81Confident183 Ų18376.1 Ų76.186%0.85542%0.415SS*.PPolyproline II helixtrans-49.2148.3158.1-61.9-165.4132.100110.5
153W90.6Very high81.1Confident68 Ų6885.6 Ų85.626%0.25846%0.456SS..PPolyproline II helixtrans-69142.4174.4-78.3106000110.7R175 R177 D192 E195W153-R175 HydrophobicContact CD2-CG 4.19Å; W153-R175 HydrophobicContact CE3-CB 4.36Å; W153-R175 HydrophobicContact CE3-CG 3.6Å; W153-R175 VanDerWaalsContact CG-CZ 3.45Å; W153-R175 HydrophobicContact CZ3-CG 3.97Å; W153-R177 HydrophobicContact CD2-CB 4.08Å; W153-R177 HydrophobicContact CD2-CG 4.08Å; W153-R177 HydrophobicContact CE3-CB 3.77Å; W153-R177 HydrophobicContact CE3-CG 3.78Å; W153-R177 HydrophobicContact CH2-CG 3.89Å; W153-R177 HydrophobicContact CZ2-CG 4.19Å; W153-R177 HydrophobicContact CZ3-CB 4.13Å; W153-R177 HydrophobicContact CZ3-CG 3.68Å; W153-D192 WeakPolarHBondContact CH2-O 3.5Å; W153-E195 HydrophobicContact CH2-CB 3.64Å; W153-E195 HydrophobicContact CZ2-CB 4.2Å; W153-E195 HydrophobicContact CZ3-CB 3.94Å
154S91.2Very high81.7Confident39 Ų3988 Ų8827%0.27346%0.457SS..PPolyproline II helixtrans-55.7153.916479.70000110.6R175 T176S154-R175 WeakPolarHBondContact OG-CA 3.46Å; S154-R175 WeakPolarHBondContact OG-CB 3.34Å; S154-T176 WeakPolarHBondContact CB-O 3.02Å; S154-T176 PolarHBondContact N-O 2.92Å; S154-T176 PolarHBondContact OG-N 2.9Å; S154-T176 PolarHBondContact OG-O 2.87Å
155P92.7Very high82.9Confident118 Ų11889.4 Ų89.477%0.76646%0.458SS*.PPolyproline II helixtrans-49.6151.4158.4-25.435.1000110.9G157P155-G157 PolarHBondContact O-N 2.85Å
156W92.8Very high84.2Confident65 Ų6588.7 Ų88.725%0.24645%0.454CS..PPolyproline II helixtrans-65.2127.1175.7-74.2100.7000110.7E173 R175 E195 R197W156-E173 HydrophobicContact CD2-CG 4.23Å; W156-E173 HydrophobicContact CE3-CB 4.15Å; W156-E173 HydrophobicContact CE3-CG 3.62Å; W156-E173 HydrophobicContact CZ3-CG 4.05Å; W156-R175 HydrophobicContact CD2-CB 4.13Å; W156-R175 HydrophobicContact CD2-CG 4.07Å; W156-R175 HydrophobicContact CE3-CB 3.79Å; W156-R175 HydrophobicContact CE3-CG 3.77Å; W156-R175 HydrophobicContact CH2-CG 3.72Å; W156-R175 HydrophobicContact CZ2-CG 4Å; W156-R175 VanDerWaalsContact CZ2-NE 3.32Å; W156-R175 HydrophobicContact CZ3-CB 4.07Å; W156-R175 HydrophobicContact CZ3-CG 3.59Å; W156-E195 HydrophobicContact CH2-CB 4.19Å; W156-E195 HydrophobicContact CH2-CG 3.88Å; W156-E195 WeakPolarHBondContact CH2-OE1 3.45Å; W156-R197 HydrophobicContact CE3-CB 4.3Å; W156-R197 HydrophobicContact CH2-CB 3.45Å; W156-R197 VanDerWaalsContact CH2-CB 3.45Å; W156-R197 HydrophobicContact CH2-CG 4.5Å; W156-R197 HydrophobicContact CZ2-CB 4.04Å; W156-R197 HydrophobicContact CZ3-CB 3.6Å
157G91.1Very high85.7Confident25 Ų2588.2 Ų88.226%0.25845%0.453SS..PPolyproline II helixtrans-63.9159.9173.800000112.4P155 C159 E173 E174P155-G157 PolarHBondContact O-N 2.85Å; G157-C159 PolarHBondContact O-N 2.97Å; G157-E173 WeakPolarHBondContact O-CB 3.27Å; G157-E174 PolarHBondContact N-O 2.84Å
158P90.8Very high87.3Confident94 Ų9480.4 Ų80.461%0.6142%0.416SS*.PPolyproline II helixtrans-61.3135.7-176.426.6-35.5000111.6S160 L165P158-S160 PolarHBondContact O-N 2.92Å; P158-L165 HydrophobicContact CB-CD2 4Å; P158-L165 HydrophobicContact CG-CD2 4.05Å
159C92.8Very high88.2Confident24 Ų2487.4 Ų87.416%0.16244%0.438CS..PPolyproline II helixtrans-52.7122.2177.8-176.20000111.1G157 F168 C199 V201G157-C159 PolarHBondContact O-N 2.97Å; C159-F168 WeakPolarHBondContact O-CZ 3.45Å; C159-C199 WeakPolarHBondContact CA-SG 3.01Å; C159-C199 HydrophobicContact CB-CB 3.72Å; C159-C199 WeakPolarHBondContact CB-SG 3.17Å; C159-C199 WeakPolarHBondContact SG-CB 3.05Å; C159-C199 CovalentContact SG-SG 2.02Å; C159-C199 PolarHBondContact SG-SG 2.91Å; C159-V201 HydrophobicContact CB-CG1 3.81Å
160S92.4Very high89.2Confident30 Ų3091.3 Ų91.321%0.2145%0.448CS..BIsolated β-bridgetrans-134.3163.7-172.679.20000112.9P158 K164 G171 S172P158-S160 PolarHBondContact O-N 2.92Å; S160-K164 CarbonylContact C-O 3.5Å; S160-K164 VanDerWaalsContact CA-O 3.27Å; S160-K164 WeakPolarHBondContact CA-O 2.97Å; S160-K164 WeakPolarHBondContact CB-O 3.44Å; S160-G171 CarbonylContact O-C 3.43Å; S160-G171 WeakPolarHBondContact O-CA 3.48Å; S160-S172 PolarHBondContact N-O 2.86Å; S160-S172 PolarHBondContact O-N 2.92Å; S160-S172 PolarHBondContact OG-O 2.86Å
161K91.9Very high89.8Confident109 Ų10989.5 Ų89.547%0.47444%0.443SS..BIsolated β-bridgetrans-141.4120.2168.5-167.9176.4-164.6160.10110.6K163 K164 F168 R170K161-K163 VanDerWaalsContact C-N 3.29Å; K161-K163 PolarHBondContact O-N 2.85Å; K161-K164 PolarHBondContact N-O 2.88Å; K161-K164 PolarHBondContact O-N 2.82Å; K161-F168 HydrophobicContact CB-CB 4.2Å; K161-F168 HydrophobicContact CB-CD1 3.54Å; K161-F168 HydrophobicContact CB-CD2 4.06Å; K161-F168 HydrophobicContact CB-CE1 3.93Å; K161-F168 HydrophobicContact CB-CE2 4.39Å; K161-F168 HydrophobicContact CB-CG 3.64Å; K161-F168 HydrophobicContact CB-CZ 4.35Å; K161-F168 HydrophobicContact CD-CB 3.78Å; K161-F168 HydrophobicContact CD-CG 4.13Å; K161-R170 WeakPolarHBondContact CD-O 3.39Å
162K86.6Confident90.2Very high197 Ų19790.5 Ų90.586%0.85745%0.45SS*.THydrogen-bonded Turntrans48.949.8-174.3-61.1-168.3174.2-164.50111.9K164K162-K164 PolarHBondContact O-N 3.48Å; K162-K164 VanDerWaalsContact O-N 3.13Å
163K83.9Confident90.4Very high210 Ų21083 Ų8391%0.91341%0.414SS*.THydrogen-bonded Turntrans59.212.5-175.3-55.1-172.9178.1-173.80116.1K161K161-K163 VanDerWaalsContact C-N 3.29Å; K161-K163 PolarHBondContact O-N 2.85Å
164K86.1Confident90.6Very high116 Ų11684 Ų8450%0.50442%0.422SS..BIsolated β-bridgetrans-100147.6170.5-54.1-157.9174.7-1580110.7S160 K161 K162 F168S160-K164 CarbonylContact C-O 3.5Å; S160-K164 VanDerWaalsContact CA-O 3.27Å; S160-K164 WeakPolarHBondContact CA-O 2.97Å; S160-K164 WeakPolarHBondContact CB-O 3.44Å; K161-K164 PolarHBondContact N-O 2.88Å; K161-K164 PolarHBondContact O-N 2.82Å; K162-K164 PolarHBondContact O-N 3.48Å; K162-K164 VanDerWaalsContact O-N 3.13Å; K164-F168 WeakPolarHBondContact O-CE1 3.34Å
165L88.9Confident90.7Very high112 Ų11284.7 Ų84.759%0.58642%0.419SS*.SBendtrans-101.9-1.9175.5-60.1-179.8000113.5P158 F168P158-L165 HydrophobicContact CB-CD2 4Å; P158-L165 HydrophobicContact CG-CD2 4.05Å; L165-F168 VanDerWaalsContact C-CE1 3.47Å
166C87.7Confident90.6Very high33 Ų3382.2 Ų82.222%0.22340%0.401CS..SBendtrans-129.4162.2-17457.50000112.2F168 C206C166-F168 VanDerWaalsContact O-CD1 3.26Å; C166-F168 WeakPolarHBondContact O-CD1 3.24Å; C166-F168 PolarHBondContact O-N 2.97Å; C166-C206 HydrophobicContact CB-CB 3.93Å; C166-C206 WeakPolarHBondContact CB-SG 3.45Å; C166-C206 PolarHBondContact O-SG 2.88Å; C166-C206 WeakPolarHBondContact SG-CA 3.46Å; C166-C206 WeakPolarHBondContact SG-CB 3.43Å; C166-C206 CovalentContact SG-SG 2.04Å; C166-C206 PolarHBondContact SG-SG 3.09Å
167G87.3Confident90.6Very high28 Ų2881.3 Ų81.329%0.28940%0.398SS..SBendtrans86.4-9.1169.200000117R203 V204G167-R203 PolarHBondContact O-NE 3.44Å; G167-V204 WeakPolarHBondContact CA-O 3.31Å; G167-V204 PolarHBondContact N-O 3.01Å
168F89.7Confident90.3Very high20 Ų2088.5 Ų88.59%0.08842%0.417CS..  trans-114.3166.7179.861-87.4000113.1C159 K161 K164 L165 C166 V201 R203C159-F168 WeakPolarHBondContact O-CZ 3.45Å; K161-F168 HydrophobicContact CB-CB 4.2Å; K161-F168 HydrophobicContact CB-CD1 3.54Å; K161-F168 HydrophobicContact CB-CD2 4.06Å; K161-F168 HydrophobicContact CB-CE1 3.93Å; K161-F168 HydrophobicContact CB-CE2 4.39Å; K161-F168 HydrophobicContact CB-CG 3.64Å; K161-F168 HydrophobicContact CB-CZ 4.35Å; K161-F168 HydrophobicContact CD-CB 3.78Å; K161-F168 HydrophobicContact CD-CG 4.13Å; K164-F168 WeakPolarHBondContact O-CE1 3.34Å; L165-F168 VanDerWaalsContact C-CE1 3.47Å; C166-F168 VanDerWaalsContact O-CD1 3.26Å; C166-F168 WeakPolarHBondContact O-CD1 3.24Å; C166-F168 PolarHBondContact O-N 2.97Å; F168-V201 HydrophobicContact CD2-CG2 3.92Å; F168-V201 HydrophobicContact CE2-CG2 3.49Å; F168-V201 VanDerWaalsContact CE2-CG2 3.49Å; F168-V201 HydrophobicContact CZ-CG2 4.24Å; F168-R203 WeakPolarHBondContact O-CA 3.43Å
169R89.5Confident90Very high181 Ų18185 Ų8568%0.68339%0.394SS*.SBendtrans-108.8-27.7172.1-176.5176.5177.7-178.30.5113.5T200 V201R169-T200 HydrophobicContact CG-CG2 4.34Å; R169-T200 CarbonylContact O-C 3.57Å; R169-T200 VanDerWaalsContact O-CA 3.31Å; R169-T200 WeakPolarHBondContact O-CA 3.43Å; R169-T200 WeakPolarHBondContact O-CG2 3.31Å; R169-V201 PolarHBondContact O-N 2.82Å
170R92.3Very high89.2Confident186 Ų18687.4 Ų87.470%0.70241%0.405SS*.EExtended strand (participates in β ladder)trans-127.1131.5176.9-65.3-179-178.3164-0.3109.6K161 C199K161-R170 WeakPolarHBondContact CD-O 3.39Å; R170-C199 WeakPolarHBondContact CA-O 3.07Å
171G93.3Very high88.1Confident15 Ų1589.9 Ų89.916%0.15542%0.416CS..EExtended strand (participates in β ladder)trans-141.9-162.1-178.800000112S160 C199S160-G171 CarbonylContact O-C 3.43Å; S160-G171 WeakPolarHBondContact O-CA 3.48Å; G171-C199 PolarHBondContact N-O 2.77Å; G171-C199 PolarHBondContact O-N 2.91Å; G171-C199 VanDerWaalsContact O-N 3.07Å
172S94.2Very high86.8Confident48 Ų4885.6 Ų85.634%0.33640%0.401SS..EExtended strand (participates in β ladder)trans-132.114517352.40000111.1S160 R197 C199S160-S172 PolarHBondContact N-O 2.86Å; S160-S172 PolarHBondContact O-N 2.92Å; S160-S172 PolarHBondContact OG-O 2.86Å; S172-R197 VanDerWaalsContact CA-O 3.25Å; S172-R197 WeakPolarHBondContact CA-O 3.48Å; S172-C199 PolarHBondContact N-SG 2.99Å; S172-C199 VanDerWaalsContact N-SG 3.39Å
173E93.8Very high85.7Confident24 Ų2477.9 Ų77.911%0.11237%0.371CS..EExtended strand (participates in β ladder)trans-113.6139.8172.257.3-163.713700107.6W156 G157 T196 R197 C199W156-E173 HydrophobicContact CD2-CG 4.23Å; W156-E173 HydrophobicContact CE3-CB 4.15Å; W156-E173 HydrophobicContact CE3-CG 3.62Å; W156-E173 HydrophobicContact CZ3-CG 4.05Å; G157-E173 WeakPolarHBondContact O-CB 3.27Å; E173-T196 CarbonylContact O-C 3.5Å; E173-T196 WeakPolarHBondContact O-CA 3.48Å; E173-R197 VanDerWaalsContact CD-NE 3.28Å; E173-R197 VanDerWaalsContact CD-NH2 3.25Å; E173-R197 HydrophobicContact CG-CB 3.75Å; E173-R197 PolarHBondContact N-O 3.11Å; E173-R197 PolarHBondContact O-N 3.32Å; E173-R197 IonicContact OE1-CZ 2.75Å; E173-R197 IonicContact OE1-NE 2.62Å; E173-R197 PolarHBondContact OE1-NE 2.88Å; E173-R197 IonicContact OE1-NH2 2.67Å; E173-R197 PolarHBondContact OE1-NH2 2.03Å; E173-R197 IonicContact OE2-CZ 2.82Å; E173-R197 IonicContact OE2-NE 3.15Å; E173-R197 IonicContact OE2-NH2 2.66Å; E173-R197 PolarHBondContact OE2-NH2 3.2Å; E173-C199 HydrophobicContact CG-CB 4.32Å; E173-C199 WeakPolarHBondContact OE1-CB 3.4Å
174E93.3Very high84.6Confident89 Ų8970.6 Ų70.642%0.41636%0.356SS..EExtended strand (participates in β ladder)trans-116.5141.7-179.2-171179.3163.800108.6G157 K194 E195G157-E174 PolarHBondContact N-O 2.84Å; E174-K194 IonicContact OE1-NZ 2.65Å; E174-K194 PolarHBondContact OE1-NZ 2.82Å; E174-E195 WeakPolarHBondContact CA-O 3Å
175R94.1Very high83.3Confident55 Ų5567.3 Ų67.321%0.20835%0.354CS..EExtended strand (participates in β ladder)trans-130.9155.4167.468.1173.6-177.1170.9-3.7110.5W153 S154 W156 E195W153-R175 HydrophobicContact CD2-CG 4.19Å; W153-R175 HydrophobicContact CE3-CB 4.36Å; W153-R175 HydrophobicContact CE3-CG 3.6Å; W153-R175 VanDerWaalsContact CG-CZ 3.45Å; W153-R175 HydrophobicContact CZ3-CG 3.97Å; S154-R175 WeakPolarHBondContact OG-CA 3.46Å; S154-R175 WeakPolarHBondContact OG-CB 3.34Å; W156-R175 HydrophobicContact CD2-CB 4.13Å; W156-R175 HydrophobicContact CD2-CG 4.07Å; W156-R175 HydrophobicContact CE3-CB 3.79Å; W156-R175 HydrophobicContact CE3-CG 3.77Å; W156-R175 HydrophobicContact CH2-CG 3.72Å; W156-R175 HydrophobicContact CZ2-CG 4Å; W156-R175 VanDerWaalsContact CZ2-NE 3.32Å; W156-R175 HydrophobicContact CZ3-CB 4.07Å; W156-R175 HydrophobicContact CZ3-CG 3.59Å; R175-E195 HydrophobicContact CG-CB 3.93Å; R175-E195 IonicContact CZ-OE2 3.27Å; R175-E195 PolarHBondContact N-O 3.13Å; R175-E195 IonicContact NE-OE2 3.58Å; R175-E195 PolarHBondContact NE-OE2 3.31Å; R175-E195 IonicContact NH2-OE1 2.72Å; R175-E195 IonicContact NH2-OE2 2.74Å; R175-E195 PolarHBondContact NH2-OE2 3.11Å; R175-E195 PolarHBondContact O-N 2.67Å
176T91.4Very high82.1Confident65 Ų6567.4 Ų67.440%0.39936%0.356SS..EExtended strand (participates in β ladder)trans-130.5153.1-177.461.90000111.8S154 T193 K194S154-T176 WeakPolarHBondContact CB-O 3.02Å; S154-T176 PolarHBondContact N-O 2.92Å; S154-T176 PolarHBondContact OG-N 2.9Å; S154-T176 PolarHBondContact OG-O 2.87Å; T176-T193 CarbonylContact C-O 3.57Å; T176-T193 VanDerWaalsContact CA-O 3.29Å; T176-T193 WeakPolarHBondContact CA-O 3.42Å; T176-K194 HydrophobicContact CG2-CG 4.04Å
177R90.9Very high81Confident47 Ų4771.2 Ų71.218%0.17737%0.37CS..  trans-138.3155.9168.263.4-177.2170.6165.7-0.7108.7M150 W153 S191 D192 T193M150-R177 PolarHBondContact SD-NH1 3.17Å; W153-R177 HydrophobicContact CD2-CB 4.08Å; W153-R177 HydrophobicContact CD2-CG 4.08Å; W153-R177 HydrophobicContact CE3-CB 3.77Å; W153-R177 HydrophobicContact CE3-CG 3.78Å; W153-R177 HydrophobicContact CH2-CG 3.89Å; W153-R177 HydrophobicContact CZ2-CG 4.19Å; W153-R177 HydrophobicContact CZ3-CB 4.13Å; W153-R177 HydrophobicContact CZ3-CG 3.68Å; R177-S191 PolarHBondContact NH2-O 3.23Å; R177-S191 PolarHBondContact NH2-OG 3.13Å; R177-D192 VanDerWaalsContact CZ-O 3.29Å; R177-D192 PolarHBondContact NE-O 3.46Å; R177-D192 PolarHBondContact NH2-O 3.18Å; R177-T193 PolarHBondContact N-O 3.18Å; R177-T193 WeakPolarHBondContact O-CB 3.4Å
178R86.5Confident80Confident176 Ų17674.8 Ų74.866%0.66440%0.396SS*.  trans-103.7149.417361.4-179.1-178.9-143-1110S151 L180S151-R178 PolarHBondContact N-O 3.38Å; S151-R178 PolarHBondContact OG-N 2.86Å; S151-R178 PolarHBondContact OG-O 2.87Å; R178-L180 HydrophobicContact CG-CD2 3.97Å
179V84.2Confident78.7Confident19 Ų1977.3 Ų77.312%0.11542%0.421CS..EExtended strand (participates in β ladder)trans-74.7128.8162.3-175.40000107M150 N181 A182 C190 T193M150-V179 HydrophobicContact CG-CG2 4.31Å; V179-N181 VanDerWaalsContact CG1-O 3.29Å; V179-N181 WeakPolarHBondContact CG1-O 3.49Å; V179-A182 HydrophobicContact CG1-CB 3.97Å; V179-C190 HydrophobicContact CG1-CB 4.33Å; V179-C190 HydrophobicContact CG2-CB 3.74Å; V179-T193 HydrophobicContact CG2-CG2 4.11Å
180L76.4Confident77.8Confident75 Ų7569.4 Ų69.439%0.39339%0.393SS..EExtended strand (participates in β ladder)trans-89-52.3173.8-57.4175.5000109.5E149 R178E149-L180 WeakPolarHBondContact O-CA 3.05Å; E149-L180 WeakPolarHBondContact O-CB 3.48Å; E149-L180 PolarHBondContact O-N 2.78Å; R178-L180 HydrophobicContact CG-CD2 3.97Å
181N69.3Low77Confident83 Ų8363.5 Ų63.544%0.44438%0.381SS..EExtended strand (participates in β ladder)trans-126.7134.3175.6-67.6-54.5000110.8A146 C148 E149 V179A146-N181 HydrophobicContact CB-CB 4.1Å; C148-N181 CarbonylContact C-O 3.57Å; C148-N181 WeakPolarHBondContact CA-O 3.03Å; E149-N181 HydrophobicContact CB-CB 3.9Å; E149-N181 PolarHBondContact N-O 2.82Å; E149-N181 PolarHBondContact O-N 3.02Å; E149-N181 PolarHBondContact OE2-ND2 2.75Å; V179-N181 VanDerWaalsContact CG1-O 3.29Å; V179-N181 WeakPolarHBondContact CG1-O 3.49Å
182A63.4Low76.2Confident19 Ų1968.8 Ų68.816%0.15741%0.406CS..  trans-125.2139.8178.100000110.2V179 G185V179-A182 HydrophobicContact CG1-CB 3.97Å; A182-G185 PolarHBondContact O-N 3.41Å
183P62.8Low75.8Confident34 Ų3469.5 Ų69.522%0.22141%0.408CS..G310 helixtrans-68136.4173.730.5-31.9000109.6P145 A146 G185 D186P145-P183 HydrophobicContact CB-CB 3.92Å; A146-P183 WeakPolarHBondContact O-CD 3.42Å; P183-G185 PolarHBondContact O-N 3.28Å; P183-D186 PolarHBondContact O-N 2.04Å
184G61.9Low75.6Confident58 Ų5874.2 Ų74.260%0.59843%0.428SS*.G310 helixtrans67.7-7.6-177.600000116.3D186G184-D186 VanDerWaalsContact C-N 3.31Å
185G59Low75.6Confident46 Ų4673.3 Ų73.347%0.47442%0.424SS..G310 helixtrans87.8-7.3-168.200000114.1A182 P183 H187A182-G185 PolarHBondContact O-N 3.41Å; P183-G185 PolarHBondContact O-N 3.28Å; G185-H187 PolarHBondContact O-CD2 2.8Å; G185-H187 PolarHBondContact O-N 3.34Å
186D63Low75.5Confident115 Ų11575.1 Ų75.162%0.61544%0.441SS*.  trans-79.383.3-176.9-76.9-43.1000111.6P183 G184 A188 A189P183-D186 PolarHBondContact O-N 2.04Å; G184-D186 VanDerWaalsContact C-N 3.31Å; D186-A188 PolarHBondContact O-N 2.03Å; D186-A189 WeakPolarHBondContact O-CB 3.48Å; D186-A189 PolarHBondContact O-N 3.21Å
187H64.8Low75.7Confident112 Ų11277.4 Ų77.452%0.51944%0.442SS..G310 helixtrans-54.6-19.2176.5-65.5-76.6000114.4G185 A189 C190G185-H187 PolarHBondContact O-CD2 2.8Å; G185-H187 PolarHBondContact O-N 3.34Å; H187-A189 VanDerWaalsContact C-N 3.34Å; H187-C190 PolarHBondContact O-N 2.96Å
188A65.7Low75.8Confident103 Ų10386.4 Ų86.485%0.85148%0.476SS*.G310 helixtrans-74.5-17.9175.300000114.2D186 C190D186-A188 PolarHBondContact O-N 2.03Å; A188-C190 PolarHBondContact O-N 3.12Å
189A63.4Low76.1Confident73 Ų7378.7 Ų78.760%0.60345%0.449SS*.G310 helixtrans-76.4-11.4172.400000112.9D186 H187D186-A189 WeakPolarHBondContact O-CB 3.48Å; D186-A189 PolarHBondContact O-N 3.21Å; H187-A189 VanDerWaalsContact C-N 3.34Å
190C71.1Confident76.5Confident15 Ų1582.4 Ų82.410%0.10147%0.472CS..SBendtrans-93.8144.4-178.9-60.80000112.4C148 V179 H187 A188C148-C190 HydrophobicContact CB-CB 3.62Å; C148-C190 WeakPolarHBondContact CB-SG 3.35Å; C148-C190 WeakPolarHBondContact SG-CA 3.44Å; C148-C190 WeakPolarHBondContact SG-CB 3.42Å; C148-C190 CovalentContact SG-SG 2.04Å; C148-C190 PolarHBondContact SG-SG 2.96Å; V179-C190 HydrophobicContact CG1-CB 4.33Å; V179-C190 HydrophobicContact CG2-CB 3.74Å; H187-C190 PolarHBondContact O-N 2.96Å; A188-C190 PolarHBondContact O-N 3.12Å
191S74.3Confident77.2Confident63 Ų6381.4 Ų81.444%0.44147%0.469SS..  trans-63.1156-175.169.60000114.2M150 R177 T193M150-S191 WeakPolarHBondContact CE-OG 3.28Å; M150-S191 PolarHBondContact SD-OG 2.91Å; R177-S191 PolarHBondContact NH2-O 3.23Å; R177-S191 PolarHBondContact NH2-OG 3.13Å; S191-T193 PolarHBondContact O-N 2.84Å
192D77.5Confident78.1Confident126 Ų12688.5 Ų88.567%0.67449%0.49SS*.  trans-30.5121.2-171-64.4-54.4000116.3W153 R177 K194W153-D192 WeakPolarHBondContact CH2-O 3.5Å; R177-D192 VanDerWaalsContact CZ-O 3.29Å; R177-D192 PolarHBondContact NE-O 3.46Å; R177-D192 PolarHBondContact NH2-O 3.18Å; D192-K194 VanDerWaalsContact C-N 3.27Å
193T85.3Confident79.2Confident63 Ų6396.7 Ų96.739%0.38752%0.516SS..SBendtrans-80.3-7.1173.452.10000113.4T176 R177 V179 S191T176-T193 CarbonylContact C-O 3.57Å; T176-T193 VanDerWaalsContact CA-O 3.29Å; T176-T193 WeakPolarHBondContact CA-O 3.42Å; R177-T193 PolarHBondContact N-O 3.18Å; R177-T193 WeakPolarHBondContact O-CB 3.4Å; V179-T193 HydrophobicContact CG2-CG2 4.11Å; S191-T193 PolarHBondContact O-N 2.84Å
194K89.6Confident80.3Confident123 Ų12399.5 Ų99.554%0.53553%0.533SS..EExtended strand (participates in β ladder)trans-135.6130.8-176-76.1170.3163.1-86.80110.1E174 T176 D192E174-K194 IonicContact OE1-NZ 2.65Å; E174-K194 PolarHBondContact OE1-NZ 2.82Å; T176-K194 HydrophobicContact CG2-CG 4.04Å; D192-K194 VanDerWaalsContact C-N 3.27Å
195E92.9Very high81.4Confident69 Ų69102 Ų10232%0.32254%0.538SS..EExtended strand (participates in β ladder)trans-125.4140.1173.8-167-168.1147.300110.2W153 W156 E174 R175W153-E195 HydrophobicContact CH2-CB 3.64Å; W153-E195 HydrophobicContact CZ2-CB 4.2Å; W153-E195 HydrophobicContact CZ3-CB 3.94Å; W156-E195 HydrophobicContact CH2-CB 4.19Å; W156-E195 HydrophobicContact CH2-CG 3.88Å; W156-E195 WeakPolarHBondContact CH2-OE1 3.45Å; E174-E195 WeakPolarHBondContact CA-O 3Å; R175-E195 HydrophobicContact CG-CB 3.93Å; R175-E195 IonicContact CZ-OE2 3.27Å; R175-E195 PolarHBondContact N-O 3.13Å; R175-E195 IonicContact NE-OE2 3.58Å; R175-E195 PolarHBondContact NE-OE2 3.31Å; R175-E195 IonicContact NH2-OE1 2.72Å; R175-E195 IonicContact NH2-OE2 2.74Å; R175-E195 PolarHBondContact NH2-OE2 3.11Å; R175-E195 PolarHBondContact O-N 2.67Å
196T92.9Very high82.5Confident93 Ų93102.2 Ų102.257%0.57153%0.532SS*.EExtended strand (participates in β ladder)trans-124.9114.8-180-610000110.8E173E173-T196 CarbonylContact O-C 3.5Å; E173-T196 WeakPolarHBondContact O-CA 3.48Å
197R94.3Very high83.4Confident113 Ų113102.2 Ų102.243%0.42654%0.538SS..EExtended strand (participates in β ladder)trans-102.2156.1177.4-172.2174.571.3-168.9-5.7111W156 S172 E173W156-R197 HydrophobicContact CE3-CB 4.3Å; W156-R197 HydrophobicContact CH2-CB 3.45Å; W156-R197 VanDerWaalsContact CH2-CB 3.45Å; W156-R197 HydrophobicContact CH2-CG 4.5Å; W156-R197 HydrophobicContact CZ2-CB 4.04Å; W156-R197 HydrophobicContact CZ3-CB 3.6Å; S172-R197 VanDerWaalsContact CA-O 3.25Å; S172-R197 WeakPolarHBondContact CA-O 3.48Å; E173-R197 VanDerWaalsContact CD-NE 3.28Å; E173-R197 VanDerWaalsContact CD-NH2 3.25Å; E173-R197 HydrophobicContact CG-CB 3.75Å; E173-R197 PolarHBondContact N-O 3.11Å; E173-R197 PolarHBondContact O-N 3.32Å; E173-R197 IonicContact OE1-CZ 2.75Å; E173-R197 IonicContact OE1-NE 2.62Å; E173-R197 PolarHBondContact OE1-NE 2.88Å; E173-R197 IonicContact OE1-NH2 2.67Å; E173-R197 PolarHBondContact OE1-NH2 2.03Å; E173-R197 IonicContact OE2-CZ 2.82Å; E173-R197 IonicContact OE2-NE 3.15Å; E173-R197 IonicContact OE2-NH2 2.66Å; E173-R197 PolarHBondContact OE2-NH2 3.2Å
198R94.4Very high83.4Confident237 Ų237104.4 Ų104.489%0.89455%0.549SS*.EExtended strand (participates in β ladder)trans-92.8123.7177.6-63.1-179-174.6177.53.5110
199C92.3Very high83.3Confident13 Ų13102.4 Ų102.49%0.08854%0.539CS..EExtended strand (participates in β ladder)trans-117.2151.5-176.355.30000111.9C159 R170 G171 S172 E173C159-C199 WeakPolarHBondContact CA-SG 3.01Å; C159-C199 HydrophobicContact CB-CB 3.72Å; C159-C199 WeakPolarHBondContact CB-SG 3.17Å; C159-C199 WeakPolarHBondContact SG-CB 3.05Å; C159-C199 CovalentContact SG-SG 2.02Å; C159-C199 PolarHBondContact SG-SG 2.91Å; R170-C199 WeakPolarHBondContact CA-O 3.07Å; G171-C199 PolarHBondContact N-O 2.77Å; G171-C199 PolarHBondContact O-N 2.91Å; G171-C199 VanDerWaalsContact O-N 3.07Å; S172-C199 PolarHBondContact N-SG 2.99Å; S172-C199 VanDerWaalsContact N-SG 3.39Å; E173-C199 HydrophobicContact CG-CB 4.32Å; E173-C199 WeakPolarHBondContact OE1-CB 3.4Å
200T93.2Very high82.8Confident98 Ų98107.1 Ų107.160%0.60155%0.548SS*.EExtended strand (participates in β ladder)trans-127.2127.5177.9-63.30000109.6R169R169-T200 HydrophobicContact CG-CG2 4.34Å; R169-T200 CarbonylContact O-C 3.57Å; R169-T200 VanDerWaalsContact O-CA 3.31Å; R169-T200 WeakPolarHBondContact O-CA 3.43Å; R169-T200 WeakPolarHBondContact O-CG2 3.31Å
201V91.1Very high81.9Confident54 Ų54114.1 Ų114.133%0.32758%0.577SS.*  trans-131161.2-173.9-67.40000111.6C159 F168 R169C159-V201 HydrophobicContact CB-CG1 3.81Å; F168-V201 HydrophobicContact CD2-CG2 3.92Å; F168-V201 HydrophobicContact CE2-CG2 3.49Å; F168-V201 VanDerWaalsContact CE2-CG2 3.49Å; F168-V201 HydrophobicContact CZ-CG2 4.24Å; R169-V201 PolarHBondContact O-N 2.82Å
202R87.4Confident80.6Confident232 Ų232122.9 Ų122.988%0.87560%0.6SS**  trans-65.5138166.9-71.9-175171.9-164.4-2.3109.1V204R202-V204 PolarHBondContact O-N 3.14Å
203R86Confident79.3Confident190 Ų190128.5 Ų128.572%0.71761%0.612SS**  trans-78.982.2-175.7-172.2-167.9-178.9-148.4-3.7110.9G167 F168G167-R203 PolarHBondContact O-NE 3.44Å; F168-R203 WeakPolarHBondContact O-CA 3.43Å
204V86.4Confident77.4Confident94 Ų94135.6 Ų135.657%0.5764%0.638SS**PPolyproline II helixtrans-67.5133.6171.2-1690000109.3G167 R202G167-V204 WeakPolarHBondContact CA-O 3.31Å; G167-V204 PolarHBondContact N-O 3.01Å; R202-V204 PolarHBondContact O-N 3.14Å
205P83.8Confident75Confident109 Ų109133.1 Ų133.171%0.70865%0.647SS**PPolyproline II helixtrans-56.3149.5168.8-24.134.9000111.6
206C83.9Confident72.8Confident51 Ų51133.9 Ų133.935%0.34567%0.673SS.*PPolyproline II helixtrans-79.8146.2166.6-67.50000109.6C166C166-C206 HydrophobicContact CB-CB 3.93Å; C166-C206 WeakPolarHBondContact CB-SG 3.45Å; C166-C206 PolarHBondContact O-SG 2.88Å; C166-C206 WeakPolarHBondContact SG-CA 3.46Å; C166-C206 WeakPolarHBondContact SG-CB 3.43Å; C166-C206 CovalentContact SG-SG 2.04Å; C166-C206 PolarHBondContact SG-SG 3.09Å
207P80.3Confident70.5Confident116 Ų116139 Ų13975%0.75369%0.69SS**PPolyproline II helixtrans-55.5141.8161.525.8-33.3000109.2G209P207-G209 VanDerWaalsContact C-N 3.32Å; P207-G209 PolarHBondContact O-N 3.49Å
208E65.4Low67.8Low157 Ų157137.4 Ų137.473%0.73471%0.71SS**SBendtrans-71.981.4-171.2-76.2-136114.300112.6K211E208-K211 WeakPolarHBondContact OE1-CE 3.3Å; E208-K211 IonicContact OE1-NZ 3.44Å; E208-K211 WeakPolarHBondContact OE2-CE 3.4Å; E208-K211 IonicContact OE2-NZ 3.59Å; E208-K211 PolarHBondContact OE2-NZ 3.44Å
209G64.3Low65.7Low62 Ų62137.4 Ų137.464%0.63971%0.709SS**  trans-125.530.8-176.800000115P207P207-G209 VanDerWaalsContact C-N 3.32Å; P207-G209 PolarHBondContact O-N 3.49Å
210Q53Low63.6Low172 Ų172147.8 Ų147.880%0.80475%0.747SS**  trans172.299.1158.1-98.4160.529.900111R212Q210-R212 PolarHBondContact O-N 3.49Å; Q210-R212 VanDerWaalsContact O-N 3.14Å
211K51.2Low61.2Low161 Ų161152.3 Ų152.370%0.776%0.761SS**  trans-77.592.5171.9-78.6171177.2153.30111E208E208-K211 WeakPolarHBondContact OE1-CE 3.3Å; E208-K211 IonicContact OE1-NZ 3.44Å; E208-K211 WeakPolarHBondContact OE2-CE 3.4Å; E208-K211 IonicContact OE2-NZ 3.59Å; E208-K211 PolarHBondContact OE2-NZ 3.44Å
212R46.8Very low59Low247 Ų247156.5 Ų156.593%0.93278%0.782SS**  trans-98.698.1154.4-80.3-142.7164.7-159.6-5.2110.1Q210 K214Q210-R212 PolarHBondContact O-N 3.49Å; Q210-R212 VanDerWaalsContact O-N 3.14Å; R212-K214 PolarHBondContact O-N 3.41Å
213R50.5Low56.9Low245 Ų245150.5 Ų150.593%0.92578%0.782SS**  trans-54124.2169.9-66.9173.8171.5170.4-4.1109.2
214K46.3Very low55.3Low212 Ų212147.6 Ų147.692%0.92278%0.781SS**  trans-116.6108.2146-161.9168.8-172.7177.10105.6R212R212-K214 PolarHBondContact O-N 3.41Å
215G39.4Very low53.4Low71 Ų71153.8 Ų153.873%0.73279%0.794SS**  trans-67157.6-164.900000113.4
216G46.9Very low51.8Low84 Ų84156.2 Ų156.287%0.86680%0.801SS**  trans-81.3119.1165.500000110.4
217Q42.7Very low50.2Low200 Ų200161.6 Ų161.694%0.93583%0.825SS**  trans-147.2152.6163.5-100175.2-2100107.2
218G38.8Very low48.2Very low81 Ų81160.5 Ų160.584%0.83583%0.826SS**  trans100.730.3178.100000117.1
219R50.2Low47.2Very low236 Ų236163.7 Ų163.789%0.89183%0.831SS**SBendtrans-98.2125.3153.2-173.9-179.7-176.8-1730.9107.7
220R47.5Very low45.9Very low232 Ų232171 Ų17188%0.87585%0.845SS**SBendtrans75.1100.3-164.3-55.9173.9171.8163.5-4.4112.7
221E42.8Very low45Very low192 Ų192171 Ų17190%0.89785%0.845SS**  178.6100.4111.9-95.4-170.5146.500110.4
222N45.2Very low44.3Very low142 Ų142168.7 Ų168.776%0.75985%0.849SS**  trans-159.553.6155-147.6-28.6000110.6
223A44.3Very low43.7Very low107 Ų107165.2 Ų165.288%0.88484%0.841SS**  trans-109.922.7178.700000112
224N51.1Low42.7Very low129 Ų129161.1 Ų161.169%0.6983%0.833SS**  trans-146.980.4177.7-161.81.6000112.5
225R47.4Very low41.9Very low224 Ų224156 Ų15685%0.84583%0.83SS**  trans-136.521.2169.8-149.8-176.2179.2-175.50.1113.5
226N50.9Low41.5Very low160 Ų160155.6 Ų155.686%0.85683%0.825SS**SBendtrans-116.2-2.5-174.7-88.6-3.5000114.8
227L48.3Very low40.8Very low164 Ų164158.8 Ų158.886%0.85983%0.828SS**SBendtrans-123.732.9-176.1-70.2174.6000113.4
228A38.9Very low40.3Very low92 Ų92153 Ų15376%0.7682%0.823SS**SBendtrans-126.9113.1171.500000110.8
229R44Very low40Very low225 Ų225153.7 Ų153.785%0.84981%0.814SS**  trans65.253.6163.5-145.3170.6-165.8157.74.8117.8E231R229-E231 PolarHBondContact O-N 2.91Å
230K37.6Very low39.3Very low216 Ų216152.5 Ų152.594%0.93981%0.81SS**  trans-76.156.3152.4-172.3-148171.1-1740110.3
231E34.8Very low38.7Very low170 Ų170152.2 Ų152.279%0.79481%0.809SS**  trans-154.576.5177.4-156161.7-141.600112.5R229R229-E231 PolarHBondContact O-N 2.91Å
232S35.9Very low38.4Very low113 Ų113153.9 Ų153.979%0.7981%0.807SS**  trans-176.685.7157.657.50000107
233K33.9Very low37.7Very low175 Ų175154 Ų15476%0.76180%0.8SS**  trans-105.7150.9178-174.4-165.1166.6-120.90108
234E29.6Very low36.9Very low159 Ų159152.6 Ų152.674%0.74380%0.797SS**  trans73131.4-175.9-66.7148.1-142.300113.2
235A29.2Very low36.2Very low104 Ų104152.3 Ų152.386%0.8679%0.791SS**  cis-149.8161.1-13.500000109
236G31.4Very low35.8Very low62 Ų62151.1 Ų151.164%0.63980%0.795SS**  cis-169.8-170.9-1.100000111.8
237T32.6Very low35Very low152 Ų152150 Ų15093%0.93379%0.785SS**  trans28.8125.7156.654.20000121
238G31.8Very low34.3Very low79 Ų79148.8 Ų148.881%0.81478%0.775SS**  cis174.9160.8-1.500000115.6
239S33.5Very low34Very low95 Ų95152.3 Ų152.366%0.66478%0.775SS**  trans-21.9154163.7-74.90000119
240R35.3Very low33.4Very low211 Ų211149.6 Ų149.680%0.79677%0.772SS**  cis-164.2146.77.4-104.5154.2-154.8-165.61108.9
241R34.7Very low33.2Very low226 Ų226147.1 Ų147.185%0.85376%0.764SS**  44139.395.5-75.3-179175-176.8-0.2114.9
242R36.9Very low32.9Very low226 Ų226148.4 Ų148.485%0.85377%0.77SS**  cis-165.9-177.529.1-121.2-178173.5172.8-3.6107.5
243K28.8Very low32.5Very low144 Ų144146.4 Ų146.463%0.62677%0.767SS**  cis-164.6119.1-4.2159.8-111.3153.9-167.20110.9
244G28.2Very low32.3Very low78 Ų78144.5 Ų144.580%0.80477%0.77SS**  trans66-169.9155.900000117.3
245Q36.6Very low32.5Very low123 Ų123143.4 Ų143.458%0.57577%0.774SS**  cis-156.8123.5-2.1-178.5170.9-22.800110.2Q247Q245-Q247 VanDerWaalsContact NE2-OE1 3.11Å
246Q38.8Very low32.7Very low200 Ų200141.9 Ų141.994%0.93577%0.769SS**  trans-79.2131.3168.7-88.7-176.8-2100110.4
247Q33.8Very low33.3Very low137 Ų137144.6 Ų144.664%0.6478%0.775SS**  trans-152.7143.1167.5-155.6157.8-8.600112.6Q245Q245-Q247 VanDerWaalsContact NE2-OE1 3.11Å
248Q33.3Very low33.4Very low137 Ų137144.6 Ų144.664%0.6477%0.768SS**  trans-11.2139.3172.2-61.7155.8-89.600119.1
249Q32.9Very low33.6Very low166 Ų166146.4 Ų146.478%0.77676%0.764SS**  trans-118.5116.4131.4-73.4-164.80.700110.5
250Q32.3Very low33.8Very low168 Ų168147.3 Ų147.379%0.78577%0.77SS**  trans-95.3144.3143.6-67.1171.2-94.700105.8
251Q32.5Very low33.9Very low164 Ų164142 Ų14277%0.76677%0.772SS**  trans-136.1129.4165-64.3-163.729.900109.2
252Q28.3Very low33.9Very low198 Ų198134.7 Ų134.793%0.92577%0.767SS**  trans-159.6105.2172.5-169.8172.847.300109.6
253G27.5Very low34.9Very low70 Ų70130.3 Ų130.372%0.72277%0.768SS**  trans73.9167.9173.500000116.5
254T30.4Very low35.3Very low135 Ų135132 Ų13283%0.82881%0.808SS**  cis-162.8153-9.2-12.90000112
255V33Very low35.7Very low137 Ų137134.7 Ų134.783%0.8381%0.808SS**  trans59101.8159.8-167.70000120.5
256G33.6Very low35.6Very low72 Ų72135.3 Ų135.374%0.74282%0.82SS**  trans47.8-173.213400000122.9
257P45.3Very low35.4Very low118 Ų118131.7 Ų131.777%0.76681%0.814SS**  cis-130.9-174.3-11.341.4-25000115
258L33.7Very low35.5Very low152 Ų152131.4 Ų131.480%0.79682%0.824SS**  trans81.7125.7150-115.475.6000123.2
259T35.6Very low35.7Very low117 Ų117131 Ų13172%0.71884%0.836SS**  trans67.1116.8139.539.80000124.6
260S38Very low35.8Very low114 Ų114128.7 Ų128.780%0.79784%0.84SS**  101.4153.7114.680.60000122
261A37.3Very low36.1Very low100 Ų100125.9 Ų125.983%0.82684%0.844SS**  trans66.9130.2171.400000119.3
262G35.3Very low36.4Very low73 Ų73122.9 Ų122.975%0.75385%0.85SS**  trans-100.8-140.1156.400000109.7
263P57.8Low37.1Very low134 Ų134116.7 Ų116.787%0.8784%0.843SS**  cis-126.8165.8-1.841.1-27.2000114.6
264A37.2Very low37.9Very low178 Ų178120.9 Ų120.9100%1.47185%0.854SS**  trans-156.90152.300000108.1

Retrieved 264 of 264 residues in 131.1 ms (Link to these results)