A0A087X9G8_POEFO Loading...

TNF superfamily member 11

AlphaFold DB , UniProt , Accession A0A087X9G8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 268 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M32.7Very low33.9Very low244 Ų244139.6 Ų139.6100%1.20277%0.773SS**  01270-137.5176.2-157.700106.8
2A28.6Very low33.8Very low96 Ų96142.1 Ų142.179%0.79376%0.764SS**  trans59.9115.8165.100000117.3
3A31.7Very low34.1Very low83 Ų83143.1 Ų143.169%0.68677%0.767SS**  105.1105.792.200000108.8
4T38.3Very low34.3Very low129 Ų129148.8 Ų148.879%0.79177%0.773SS**  36.7109.495.162.80000113.2
5H35.7Very low34.4Very low167 Ų167147.7 Ų147.777%0.77377%0.768SS**  175.4124.9107.4-128.1-115.7000108.1
6S34.6Very low34.8Very low84 Ų84144.4 Ų144.459%0.58777%0.77SS**  65.5112.511284.20000113.6
7S32.8Very low34.9Very low91 Ų91145.8 Ų145.864%0.63677%0.773SS**  93.6113.587.2-174.10000109.6
8E41Very low35.1Very low167 Ų167144.1 Ų144.178%0.7876%0.764SS**  trans59.2104.7146.4-63177.6168.100116.6
9Y29.5Very low35.4Very low198 Ų198144.3 Ų144.378%0.77676%0.764SS**  -171129.8114.9-120.3-105.8000109.9
10R36.5Very low35.5Very low181 Ų181146.4 Ų146.468%0.68377%0.769SS**  trans61107.7157-79.5-179.3163.6127.1-4.3119.5Y12R10-Y12 HydrophobicContact CB-CD2 4.42Å; R10-Y12 HydrophobicContact CB-CE2 4.5Å; R10-Y12 HydrophobicContact CG-CD2 4.26Å; R10-Y12 HydrophobicContact CG-CE2 3.87Å
11A32.1Very low35.4Very low96 Ų96144 Ų14479%0.79377%0.771SS**  -163.489.3125.500000107.5
12Y32.5Very low35.4Very low169 Ų169135.7 Ų135.766%0.66375%0.747SS**  43.7108.199.7-74.6-78.8000114.2R10R10-Y12 HydrophobicContact CB-CD2 4.42Å; R10-Y12 HydrophobicContact CB-CE2 4.5Å; R10-Y12 HydrophobicContact CG-CD2 4.26Å; R10-Y12 HydrophobicContact CG-CE2 3.87Å
13L38Very low35.9Very low155 Ų155138.6 Ų138.681%0.81275%0.745SS**  trans66.5102.6136.9-57.4167.1000116.2
14R36.4Very low36Very low223 Ų223143.1 Ų143.184%0.84275%0.751SS**  -167122.3114.3-106.2175.6-175.2172.83.1111.9
15N35.1Very low36.4Very low132 Ų132147.3 Ų147.371%0.70675%0.753SS**  trans76.3102141.7-52.9-19.5000115.1
16A41Very low36.4Very low96 Ų96148 Ų14879%0.79375%0.754SS**  4789.164.800000110.7
17M36.2Very low36.8Very low167 Ų167149 Ų14982%0.82376%0.758SS**  trans-163.7114.8139.3-98.6-176.485.400108.4
18D39.4Very low37.1Very low116 Ų116150.8 Ų150.862%0.6277%0.768SS**  trans67.198.4146.3-56.4-30.8000119.1
19I41.6Very low37.6Very low148 Ų148149 Ų14976%0.75977%0.768SS**  78.793.293.1-74.6169.7000109.3
20E35.8Very low38.4Very low185 Ų185145.1 Ų145.186%0.86477%0.767SS**  46.2118.867.3-139.3-172.4-176.500111
21A34.3Very low39.1Very low98 Ų98140.8 Ų140.881%0.8177%0.765SS**  cis-159.2172.321.400000105.4
22G31.8Very low40.2Very low68 Ų68141 Ų14170%0.70176%0.76SS**  cis179.8159.821.300000109.5
23Q39.7Very low41.4Very low158 Ų158139.9 Ų139.974%0.73876%0.761SS**  trans-47.9151.2-174.2-71.3136.4-58.500116.6
24Q34.1Very low42.2Very low177 Ų177137 Ų13783%0.82775%0.752SS**  -140.4129.7120-75.7-147.2-23.600111.6
25R45.5Very low43.1Very low218 Ų218130.8 Ų130.882%0.82374%0.738SS**  trans-75.4133.8174.7-76.8177.4169.1121.1-4.7110.2
26F37.1Very low44.1Very low180 Ų180131.6 Ų131.679%0.78973%0.733SS**  trans-129.1145.5149.6-74.6-78.5000108.9
27P42.4Very low45Very low106 Ų106135.8 Ų135.869%0.68873%0.728SS**PPolyproline II helixtrans-73.6162.7-178.832-34000111.6V29P27-V29 PolarHBondContact O-N 3.36Å
28P40.1Very low46.3Very low128 Ų128131.8 Ų131.883%0.83172%0.717SS**PPolyproline II helixtrans-68.3128.2-177.828.7-32.4000110.6
29V50.1Low47.7Very low130 Ų130131.5 Ų131.579%0.78871%0.714SS**PPolyproline II helixtrans-70.6128.8162.7176.50000107.4P27 S31P27-V29 PolarHBondContact O-N 3.36Å; V29-S31 PolarHBondContact O-N 3.08Å; V29-S31 VanDerWaalsContact O-N 3.12Å
30P47.2Very low49.3Very low116 Ų116129 Ų12975%0.75370%0.698SS**  trans-71.5110.1175.428.1-30.1000108.8S32P30-S32 PolarHBondContact O-N 3.12Å; P30-S32 VanDerWaalsContact O-N 3.08Å
31S51.5Low51.3Low91 Ų91125.8 Ų125.864%0.63669%0.686SS**  trans-69.599.9170.258.50000109.2V29 E33V29-S31 PolarHBondContact O-N 3.08Å; V29-S31 VanDerWaalsContact O-N 3.12Å; S31-E33 PolarHBondContact O-N 3.09Å; S31-E33 VanDerWaalsContact O-N 3.09Å
32S54.6Low53.5Low100 Ų100122.8 Ų122.870%0.69966%0.664SS**  trans-77.628.2174.352.80000113.4P30P30-S32 PolarHBondContact O-N 3.12Å; P30-S32 VanDerWaalsContact O-N 3.08Å
33E56.8Low56Low146 Ų146123.2 Ų123.268%0.68265%0.653SS**Hα-helixtrans-82.9-21.8-172.1-75.9-167.213200117.7S31S31-E33 PolarHBondContact O-N 3.09Å; S31-E33 VanDerWaalsContact O-N 3.09Å
34P54.6Low58.2Low95 Ų95121.5 Ų121.562%0.61765%0.649SS**Hα-helixtrans-82-29.918029-30.2000113.1S38P34-S38 PolarHBondContact O-N 3.49Å
35T55.5Low60.8Low91 Ų91115.6 Ų115.656%0.55863%0.63SS**Hα-helixtrans-76-37-174.9-440000112.1S38 L39T35-S38 PolarHBondContact O-N 3.36Å; T35-L39 HydrophobicContact CG2-CD1 4.07Å; T35-L39 VanDerWaalsContact O-CG 3.3Å; T35-L39 WeakPolarHBondContact O-CG 3.48Å; T35-L39 PolarHBondContact O-N 3.45Å
36Y56.2Low63Low150 Ų150109.8 Ų109.859%0.58862%0.619SS**Hα-helixtrans-64.3-46.6179.7-168.6-98.3000111.2S38 L39 F40Y36-S38 VanDerWaalsContact C-N 3.35Å; Y36-S38 PolarHBondContact O-N 3.06Å; Y36-L39 PolarHBondContact O-N 3.02Å; Y36-F40 AromaticContact CD1-CD2 3.62Å; Y36-F40 HydrophobicContact CD1-CD2 3.62Å; Y36-F40 AromaticContact CD1-CE2 3.66Å; Y36-F40 HydrophobicContact CD1-CE2 3.66Å; Y36-F40 HydrophobicContact CD1-CG 4.44Å; Y36-F40 HydrophobicContact CD1-CZ 4.46Å; Y36-F40 HydrophobicContact CD2-CD2 4.15Å; Y36-F40 AromaticContact CD2-CE2 3.67Å; Y36-F40 HydrophobicContact CD2-CE2 3.67Å; Y36-F40 AromaticContact CE1-CD2 3.53Å; Y36-F40 HydrophobicContact CE1-CD2 3.53Å; Y36-F40 HydrophobicContact CE1-CE1 4.25Å; Y36-F40 AromaticContact CE1-CE2 3.17Å; Y36-F40 HydrophobicContact CE1-CE2 3.17Å; Y36-F40 HydrophobicContact CE1-CG 4.24Å; Y36-F40 AromaticContact CE1-CZ 3.56Å; Y36-F40 HydrophobicContact CE1-CZ 3.56Å; Y36-F40 HydrophobicContact CE2-CD2 4.08Å; Y36-F40 AromaticContact CE2-CE2 3.2Å; Y36-F40 HydrophobicContact CE2-CE2 3.2Å; Y36-F40 AromaticContact CE2-CZ 3.82Å; Y36-F40 HydrophobicContact CE2-CZ 3.82Å; Y36-F40 AromaticContact CG-CD2 3.96Å; Y36-F40 HydrophobicContact CG-CD2 3.96Å; Y36-F40 AromaticContact CG-CE2 3.91Å; Y36-F40 HydrophobicContact CG-CE2 3.91Å; Y36-F40 AromaticContact CZ-CD2 3.79Å; Y36-F40 AromaticContact CZ-CE2 2.93Å; Y36-F40 AromaticContact CZ-CZ 3.19Å; Y36-F40 WeakPolarHBondContact O-CD2 3.26Å; Y36-F40 PolarHBondContact O-N 3.18Å; Y36-F40 WeakPolarHBondContact OH-CE2 3Å; Y36-F40 WeakPolarHBondContact OH-CZ 3.33Å
37R61.2Low65.5Low184 Ų184107.1 Ų107.169%0.69461%0.61SS**Hα-helixtrans-61.8-40.5178.6-72.8-173.2177.6-167.91.4112.9L39 F40 I41R37-L39 VanDerWaalsContact C-N 3.34Å; R37-F40 PolarHBondContact O-N 3.36Å; R37-I41 WeakPolarHBondContact O-CD1 3.39Å; R37-I41 VanDerWaalsContact O-CG1 3.26Å; R37-I41 WeakPolarHBondContact O-CG1 3.3Å; R37-I41 PolarHBondContact O-N 3.01Å
38S63.2Low67.8Low83 Ų83103.9 Ų103.958%0.5860%0.596SS**Hα-helixtrans-64.9-38.6176.6-172.30000112.2P34 T35 Y36 G42P34-S38 PolarHBondContact O-N 3.49Å; T35-S38 PolarHBondContact O-N 3.36Å; Y36-S38 VanDerWaalsContact C-N 3.35Å; Y36-S38 PolarHBondContact O-N 3.06Å; S38-G42 PolarHBondContact O-N 2.98Å
39L69.4Low70.3Confident109 Ų109103.7 Ų103.757%0.57159%0.586SS**Hα-helixtrans-67.3-40.1176.3-72.8166.8000111.5T35 Y36 R37 G42 T43T35-L39 HydrophobicContact CG2-CD1 4.07Å; T35-L39 VanDerWaalsContact O-CG 3.3Å; T35-L39 WeakPolarHBondContact O-CG 3.48Å; T35-L39 PolarHBondContact O-N 3.45Å; Y36-L39 PolarHBondContact O-N 3.02Å; R37-L39 VanDerWaalsContact C-N 3.34Å; L39-G42 PolarHBondContact O-N 3.35Å; L39-T43 WeakPolarHBondContact O-CG2 3.4Å; L39-T43 PolarHBondContact O-N 3.14Å; L39-T43 PolarHBondContact O-OG1 2.95Å
40F73.2Confident72.3Confident95 Ų95103 Ų10342%0.41758%0.578SS.*Hα-helixtrans-66.7-40177.2-88.6-102.6000113.1Y36 R37 G42 T43 L44Y36-F40 AromaticContact CD1-CD2 3.62Å; Y36-F40 HydrophobicContact CD1-CD2 3.62Å; Y36-F40 AromaticContact CD1-CE2 3.66Å; Y36-F40 HydrophobicContact CD1-CE2 3.66Å; Y36-F40 HydrophobicContact CD1-CG 4.44Å; Y36-F40 HydrophobicContact CD1-CZ 4.46Å; Y36-F40 HydrophobicContact CD2-CD2 4.15Å; Y36-F40 AromaticContact CD2-CE2 3.67Å; Y36-F40 HydrophobicContact CD2-CE2 3.67Å; Y36-F40 AromaticContact CE1-CD2 3.53Å; Y36-F40 HydrophobicContact CE1-CD2 3.53Å; Y36-F40 HydrophobicContact CE1-CE1 4.25Å; Y36-F40 AromaticContact CE1-CE2 3.17Å; Y36-F40 HydrophobicContact CE1-CE2 3.17Å; Y36-F40 HydrophobicContact CE1-CG 4.24Å; Y36-F40 AromaticContact CE1-CZ 3.56Å; Y36-F40 HydrophobicContact CE1-CZ 3.56Å; Y36-F40 HydrophobicContact CE2-CD2 4.08Å; Y36-F40 AromaticContact CE2-CE2 3.2Å; Y36-F40 HydrophobicContact CE2-CE2 3.2Å; Y36-F40 AromaticContact CE2-CZ 3.82Å; Y36-F40 HydrophobicContact CE2-CZ 3.82Å; Y36-F40 AromaticContact CG-CD2 3.96Å; Y36-F40 HydrophobicContact CG-CD2 3.96Å; Y36-F40 AromaticContact CG-CE2 3.91Å; Y36-F40 HydrophobicContact CG-CE2 3.91Å; Y36-F40 AromaticContact CZ-CD2 3.79Å; Y36-F40 AromaticContact CZ-CE2 2.93Å; Y36-F40 AromaticContact CZ-CZ 3.19Å; Y36-F40 WeakPolarHBondContact O-CD2 3.26Å; Y36-F40 PolarHBondContact O-N 3.18Å; Y36-F40 WeakPolarHBondContact OH-CE2 3Å; Y36-F40 WeakPolarHBondContact OH-CZ 3.33Å; R37-F40 PolarHBondContact O-N 3.36Å; F40-G42 VanDerWaalsContact C-N 3.34Å; F40-T43 WeakPolarHBondContact CA-OG1 3.23Å; F40-T43 PolarHBondContact O-OG1 2.99Å; F40-L44 WeakPolarHBondContact O-CB 3.43Å; F40-L44 VanDerWaalsContact O-CG 3.23Å; F40-L44 WeakPolarHBondContact O-CG 3.19Å; F40-L44 PolarHBondContact O-N 2.87Å
41I78.7Confident74.4Confident118 Ų118103.7 Ų103.761%0.60557%0.571SS**Hα-helixtrans-67.3-41.2175.4-65.1164.7000110R37 L44 A45R37-I41 WeakPolarHBondContact O-CD1 3.39Å; R37-I41 VanDerWaalsContact O-CG1 3.26Å; R37-I41 WeakPolarHBondContact O-CG1 3.3Å; R37-I41 PolarHBondContact O-N 3.01Å; I41-L44 PolarHBondContact O-N 3Å; I41-A45 WeakPolarHBondContact O-CB 3.15Å; I41-A45 PolarHBondContact O-N 3.35Å
42G81.5Confident76.4Confident35 Ų35103.9 Ų103.936%0.36157%0.568SS.*Hα-helixtrans-61.1-45.7175.600000112.7S38 L39 F40 A45 V46S38-G42 PolarHBondContact O-N 2.98Å; L39-G42 PolarHBondContact O-N 3.35Å; F40-G42 VanDerWaalsContact C-N 3.34Å; G42-A45 PolarHBondContact O-N 2.97Å; G42-V46 WeakPolarHBondContact O-CG2 3.32Å; G42-V46 PolarHBondContact O-N 3.45Å
43T83.1Confident78.2Confident77 Ų77101.8 Ų101.847%0.47256%0.557SS.*Hα-helixtrans-66.7-41.1178.453.70000111.9L39 F40 A45 V46 M47L39-T43 WeakPolarHBondContact O-CG2 3.4Å; L39-T43 PolarHBondContact O-N 3.14Å; L39-T43 PolarHBondContact O-OG1 2.95Å; F40-T43 WeakPolarHBondContact CA-OG1 3.23Å; F40-T43 PolarHBondContact O-OG1 2.99Å; T43-A45 VanDerWaalsContact C-N 3.33Å; T43-A45 PolarHBondContact O-N 3.34Å; T43-V46 PolarHBondContact O-N 3.45Å; T43-M47 WeakPolarHBondContact O-CB 3.32Å; T43-M47 WeakPolarHBondContact O-CG 3.37Å; T43-M47 PolarHBondContact O-N 2.95Å
44L87.3Confident79.8Confident123 Ų12397.6 Ų97.664%0.64454%0.544SS*.Hα-helixtrans-62.7-39.6175.4-72.9170.8000112.2F40 I41 G48F40-L44 WeakPolarHBondContact O-CB 3.43Å; F40-L44 VanDerWaalsContact O-CG 3.23Å; F40-L44 WeakPolarHBondContact O-CG 3.19Å; F40-L44 PolarHBondContact O-N 2.87Å; I41-L44 PolarHBondContact O-N 3Å; L44-G48 PolarHBondContact O-N 2.9Å
45A88.7Confident81.6Confident53 Ų5396.2 Ų96.244%0.43854%0.536SS..Hα-helixtrans-64.7-45.4175.900000111.8I41 G42 T43 G48 I49I41-A45 WeakPolarHBondContact O-CB 3.15Å; I41-A45 PolarHBondContact O-N 3.35Å; G42-A45 PolarHBondContact O-N 2.97Å; T43-A45 VanDerWaalsContact C-N 3.33Å; T43-A45 PolarHBondContact O-N 3.34Å; A45-G48 PolarHBondContact O-N 3.3Å; A45-I49 VanDerWaalsContact O-CG1 3.31Å; A45-I49 WeakPolarHBondContact O-CG1 3.4Å; A45-I49 PolarHBondContact O-N 2.96Å
46V90.6Very high83.2Confident95 Ų9595.4 Ų95.458%0.57653%0.531SS*.Hα-helixtrans-63.3-44.5177.6172.20000111.2G42 T43 G48 I49 L50G42-V46 WeakPolarHBondContact O-CG2 3.32Å; G42-V46 PolarHBondContact O-N 3.45Å; T43-V46 PolarHBondContact O-N 3.45Å; V46-G48 VanDerWaalsContact C-N 3.33Å; V46-G48 PolarHBondContact O-N 3.31Å; V46-I49 PolarHBondContact O-N 3.44Å; V46-L50 WeakPolarHBondContact O-CB 3.31Å; V46-L50 PolarHBondContact O-N 3.45Å
47M90.1Very high84.7Confident125 Ų12590 Ų9062%0.61652%0.517SS*.Hα-helixtrans-61-42.1176.4-70.3-69.1-69.300111.4T43 L50 Q51T43-M47 WeakPolarHBondContact O-CB 3.32Å; T43-M47 WeakPolarHBondContact O-CG 3.37Å; T43-M47 PolarHBondContact O-N 2.95Å; M47-L50 PolarHBondContact O-N 3.33Å; M47-Q51 WeakPolarHBondContact O-CB 3.33Å; M47-Q51 PolarHBondContact O-N 3.4Å
48G91.2Very high85.9Confident37 Ų3785.6 Ų85.638%0.38151%0.506SS..Hα-helixtrans-62.6-45.3176.100000112.9L44 A45 V46 Q51 V52L44-G48 PolarHBondContact O-N 2.9Å; A45-G48 PolarHBondContact O-N 3.3Å; V46-G48 VanDerWaalsContact C-N 3.33Å; V46-G48 PolarHBondContact O-N 3.31Å; G48-Q51 PolarHBondContact O-N 3.07Å; G48-V52 WeakPolarHBondContact O-CG2 3.41Å; G48-V52 PolarHBondContact O-N 2.95Å
49I91.5Very high86.9Confident124 Ų12486.6 Ų86.664%0.63651%0.505SS*.Hα-helixtrans-63.7-44.3177.5-67.2165.7000110.7A45 V46 Q51 V52 A53A45-I49 VanDerWaalsContact O-CG1 3.31Å; A45-I49 WeakPolarHBondContact O-CG1 3.4Å; A45-I49 PolarHBondContact O-N 2.96Å; V46-I49 PolarHBondContact O-N 3.44Å; I49-Q51 VanDerWaalsContact C-N 3.33Å; I49-Q51 PolarHBondContact O-N 2.91Å; I49-V52 PolarHBondContact O-N 3.45Å; I49-A53 WeakPolarHBondContact O-CB 3.36Å; I49-A53 PolarHBondContact O-N 2.91Å
50L91.7Very high87.5Confident115 Ų11584.2 Ų84.260%0.60249%0.492SS*.Hα-helixtrans-63.7-39.7179.6-167.370.2000111.7V46 M47 A53 S54V46-L50 WeakPolarHBondContact O-CB 3.31Å; V46-L50 PolarHBondContact O-N 3.45Å; M47-L50 PolarHBondContact O-N 3.33Å; L50-A53 PolarHBondContact O-N 2.96Å; L50-S54 VanDerWaalsContact O-CB 3.3Å; L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 3.11Å
51Q92.9Very high87.7Confident132 Ų13285.5 Ų85.562%0.61750%0.499SS*.Hα-helixtrans-63.1-44.4176.5-168.777.7-0.300111.8M47 G48 I49 S55M47-Q51 WeakPolarHBondContact O-CB 3.33Å; M47-Q51 PolarHBondContact O-N 3.4Å; G48-Q51 PolarHBondContact O-N 3.07Å; I49-Q51 VanDerWaalsContact C-N 3.33Å; I49-Q51 PolarHBondContact O-N 2.91Å; Q51-S55 WeakPolarHBondContact O-CB 3.37Å; Q51-S55 PolarHBondContact O-N 2.77Å; Q51-S55 PolarHBondContact O-OG 3.43Å
52V93Very high87.6Confident94 Ų9486.6 Ų86.657%0.5751%0.506SS*.Hα-helixtrans-65.4-46.1177.5173.70000110.4G48 I49 S54 S55 V56G48-V52 WeakPolarHBondContact O-CG2 3.41Å; G48-V52 PolarHBondContact O-N 2.95Å; I49-V52 PolarHBondContact O-N 3.45Å; V52-S54 PolarHBondContact O-N 3.49Å; V52-S55 PolarHBondContact O-N 3.22Å; V52-V56 HydrophobicContact CG1-CG2 4.39Å; V52-V56 VanDerWaalsContact O-CG2 3.3Å; V52-V56 WeakPolarHBondContact O-CG2 3.32Å; V52-V56 PolarHBondContact O-N 2.94Å
53A91.1Very high87.6Confident56 Ų5689 Ų8946%0.46351%0.513SS..Hα-helixtrans-59.8-44.3177.500000112I49 L50 V56 A57I49-A53 WeakPolarHBondContact O-CB 3.36Å; I49-A53 PolarHBondContact O-N 2.91Å; L50-A53 PolarHBondContact O-N 2.96Å; A53-V56 PolarHBondContact O-N 3.43Å; A53-A57 WeakPolarHBondContact O-CB 3.44Å; A53-A57 PolarHBondContact O-N 2.91Å
54S91.8Very high87Confident59 Ų5988.1 Ų88.141%0.41352%0.52SS..Hα-helixtrans-62.6-45.1176.1-178.20000112L50 V52 V56 A57 I58L50-S54 VanDerWaalsContact O-CB 3.3Å; L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 3.11Å; V52-S54 PolarHBondContact O-N 3.49Å; S54-V56 VanDerWaalsContact C-N 3.34Å; S54-V56 PolarHBondContact O-N 3.28Å; S54-A57 PolarHBondContact O-N 3.44Å; S54-I58 WeakPolarHBondContact O-CB 3.3Å; S54-I58 VanDerWaalsContact O-CG1 3.26Å; S54-I58 WeakPolarHBondContact O-CG1 3.34Å; S54-I58 PolarHBondContact O-N 2.89Å
55S91.2Very high86Confident65 Ų6591.3 Ų91.346%0.45553%0.525SS..Hα-helixtrans-63.1-41.5178.9-56.80000111.9Q51 V52 L59Q51-S55 WeakPolarHBondContact O-CB 3.37Å; Q51-S55 PolarHBondContact O-N 2.77Å; Q51-S55 PolarHBondContact O-OG 3.43Å; V52-S55 PolarHBondContact O-N 3.22Å; S55-L59 WeakPolarHBondContact O-CB 3.49Å; S55-L59 PolarHBondContact O-N 3.44Å
56V90.7Very high84.4Confident74 Ų7492.9 Ų92.945%0.44853%0.526SS..Hα-helixtrans-66.9-42.9175.7173.10000110.7V52 A53 S54 I58 L59 L60V52-V56 HydrophobicContact CG1-CG2 4.39Å; V52-V56 VanDerWaalsContact O-CG2 3.3Å; V52-V56 WeakPolarHBondContact O-CG2 3.32Å; V52-V56 PolarHBondContact O-N 2.94Å; A53-V56 PolarHBondContact O-N 3.43Å; S54-V56 VanDerWaalsContact C-N 3.34Å; S54-V56 PolarHBondContact O-N 3.28Å; V56-I58 PolarHBondContact O-N 2.92Å; V56-L59 PolarHBondContact O-N 3.15Å; V56-L60 HydrophobicContact CG1-CD1 3.83Å; V56-L60 HydrophobicContact CG1-CG 4.25Å; V56-L60 WeakPolarHBondContact O-CB 3.24Å; V56-L60 VanDerWaalsContact O-CG 3.22Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 3.24Å
57A86.8Confident82.7Confident37 Ų3796.7 Ų96.731%0.30654%0.537SS..Hα-helixtrans-62-43.6177.400000112A53 S54 L60 H61A53-A57 WeakPolarHBondContact O-CB 3.44Å; A53-A57 PolarHBondContact O-N 2.91Å; S54-A57 PolarHBondContact O-N 3.44Å; A57-L60 PolarHBondContact O-N 3.1Å; A57-H61 PolarHBondContact O-N 3.06Å; A57-H61 PolarHBondContact O-ND1 2.89Å
58I86.6Confident80.8Confident91 Ų9198.8 Ų98.847%0.46755%0.545SS..Hα-helixtrans-63.8-44.5175.4-67.7164.8000110.3S54 V56 L60 H61 L62S54-I58 WeakPolarHBondContact O-CB 3.3Å; S54-I58 VanDerWaalsContact O-CG1 3.26Å; S54-I58 WeakPolarHBondContact O-CG1 3.34Å; S54-I58 PolarHBondContact O-N 2.89Å; V56-I58 PolarHBondContact O-N 2.92Å; I58-L60 VanDerWaalsContact C-N 3.33Å; I58-L60 PolarHBondContact O-N 3.26Å; I58-H61 PolarHBondContact O-N 2.82Å; I58-L62 HydrophobicContact CG2-CD1 3.67Å; I58-L62 HydrophobicContact CG2-CG 4.19Å; I58-L62 WeakPolarHBondContact O-CB 3.3Å; I58-L62 VanDerWaalsContact O-CG 3.28Å; I58-L62 WeakPolarHBondContact O-CG 3.26Å; I58-L62 PolarHBondContact O-N 2.72Å
59L83.5Confident78.6Confident105 Ų105103.4 Ų103.455%0.5557%0.566SS.*Hα-helixtrans-59.6-46176.9-172.168.7000110.6S55 V56 H61 L62 T63S55-L59 WeakPolarHBondContact O-CB 3.49Å; S55-L59 PolarHBondContact O-N 3.44Å; V56-L59 PolarHBondContact O-N 3.15Å; L59-H61 VanDerWaalsContact C-N 3.35Å; L59-H61 PolarHBondContact O-N 3.46Å; L59-L62 PolarHBondContact O-N 2.92Å; L59-T63 HydrophobicContact CD1-CG2 4.19Å; L59-T63 HydrophobicContact CG-CG2 4.29Å; L59-T63 WeakPolarHBondContact O-CB 3.34Å; L59-T63 VanDerWaalsContact O-CG2 3.28Å; L59-T63 WeakPolarHBondContact O-CG2 3.42Å; L59-T63 PolarHBondContact O-N 2.88Å; L59-T63 PolarHBondContact O-OG1 3.01Å
60L81.9Confident75.9Confident58 Ų58104.7 Ų104.730%0.30457%0.574SS.*Hα-helixtrans-64.4-35.6177.8-68.9170.2000112.7V56 A57 I58 G64 Y65 L66V56-L60 HydrophobicContact CG1-CD1 3.83Å; V56-L60 HydrophobicContact CG1-CG 4.25Å; V56-L60 WeakPolarHBondContact O-CB 3.24Å; V56-L60 VanDerWaalsContact O-CG 3.22Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 3.24Å; A57-L60 PolarHBondContact O-N 3.1Å; I58-L60 VanDerWaalsContact C-N 3.33Å; I58-L60 PolarHBondContact O-N 3.26Å; L60-G64 PolarHBondContact O-N 3.35Å; L60-Y65 HydrophobicContact CD2-CD1 4.38Å; L60-Y65 HydrophobicContact CD2-CG 4.16Å; L60-Y65 PolarHBondContact O-N 2.88Å; L60-L66 HydrophobicContact CB-CD1 3.78Å; L60-L66 HydrophobicContact CB-CG 3.94Å; L60-L66 HydrophobicContact CD1-CD1 4.21Å; L60-L66 HydrophobicContact CD1-CG 4.45Å; L60-L66 PolarHBondContact O-N 2.73Å
61H78.8Confident73.4Confident122 Ų122106.4 Ų106.457%0.56558%0.583SS**Hα-helixtrans-67.2-46.2172.5-81.276.9000111.5A57 I58 L59 T63 G64 L66A57-H61 PolarHBondContact O-N 3.06Å; A57-H61 PolarHBondContact O-ND1 2.89Å; I58-H61 PolarHBondContact O-N 2.82Å; L59-H61 VanDerWaalsContact C-N 3.35Å; L59-H61 PolarHBondContact O-N 3.46Å; H61-T63 VanDerWaalsContact C-N 3.34Å; H61-T63 PolarHBondContact O-N 2.89Å; H61-G64 PolarHBondContact O-N 2.81Å; H61-G64 VanDerWaalsContact O-N 3.15Å; H61-L66 VanDerWaalsContact CE1-CD1 3.49Å; H61-L66 WeakPolarHBondContact CE1-CD1 3.27Å
62L76.1Confident70.5Confident141 Ų141105.6 Ų105.674%0.73859%0.592SS**Hα-helixtrans-68.3-33.1-179.5-69.8173.2000112.6I58 L59 G64I58-L62 HydrophobicContact CG2-CD1 3.67Å; I58-L62 HydrophobicContact CG2-CG 4.19Å; I58-L62 WeakPolarHBondContact O-CB 3.3Å; I58-L62 VanDerWaalsContact O-CG 3.28Å; I58-L62 WeakPolarHBondContact O-CG 3.26Å; I58-L62 PolarHBondContact O-N 2.72Å; L59-L62 PolarHBondContact O-N 2.92Å; L62-G64 VanDerWaalsContact C-N 3.26Å
63T81.3Confident68.4Low85 Ų85107.2 Ų107.252%0.52160%0.604SS.*THydrogen-bonded Turntrans-85.63.3175.363.60000112.9L59 H61 Y65L59-T63 HydrophobicContact CD1-CG2 4.19Å; L59-T63 HydrophobicContact CG-CG2 4.29Å; L59-T63 WeakPolarHBondContact O-CB 3.34Å; L59-T63 VanDerWaalsContact O-CG2 3.28Å; L59-T63 WeakPolarHBondContact O-CG2 3.42Å; L59-T63 PolarHBondContact O-N 2.88Å; L59-T63 PolarHBondContact O-OG1 3.01Å; H61-T63 VanDerWaalsContact C-N 3.34Å; H61-T63 PolarHBondContact O-N 2.89Å; T63-Y65 VanDerWaalsContact C-N 3.28Å; T63-Y65 PolarHBondContact O-N 3.34Å
64G70.8Confident65.5Low60 Ų60109.8 Ų109.862%0.61962%0.619SS**THydrogen-bonded Turntrans68.521.3176.700000114.9L60 H61 L62L60-G64 PolarHBondContact O-N 3.35Å; H61-G64 PolarHBondContact O-N 2.81Å; H61-G64 VanDerWaalsContact O-N 3.15Å; L62-G64 VanDerWaalsContact C-N 3.26Å
65Y66.6Low63.1Low189 Ų189112.2 Ų112.274%0.74164%0.636SS**  trans-87.9-22.4-177-130.3-86.2000113.1L60 T63L60-Y65 HydrophobicContact CD2-CD1 4.38Å; L60-Y65 HydrophobicContact CD2-CG 4.16Å; L60-Y65 PolarHBondContact O-N 2.88Å; T63-Y65 VanDerWaalsContact C-N 3.28Å; T63-Y65 PolarHBondContact O-N 3.34Å
66L55.4Low60.2Low87 Ų87120.3 Ų120.346%0.45566%0.656SS.*  trans-95.993.6168.2-81.8168.4000108.9L60 H61L60-L66 HydrophobicContact CB-CD1 3.78Å; L60-L66 HydrophobicContact CB-CG 3.94Å; L60-L66 HydrophobicContact CD1-CD1 4.21Å; L60-L66 HydrophobicContact CD1-CG 4.45Å; L60-L66 PolarHBondContact O-N 2.73Å; H61-L66 VanDerWaalsContact CE1-CD1 3.49Å; H61-L66 WeakPolarHBondContact CE1-CD1 3.27Å
67H53.8Low57.6Low174 Ų174122.6 Ų122.681%0.80667%0.673SS**  trans-86.8127.9162.4-159.758.4000107.5V69H67-V69 PolarHBondContact O-N 2.84Å
68E50.6Low54.8Low169 Ų169126.4 Ų126.479%0.7970%0.697SS**  trans-48.7127.6-179.6-87.2169.3145.200111.5D70E68-D70 PolarHBondContact O-N 2.84Å
69V44.6Very low52.4Low134 Ų134130.1 Ų130.181%0.81272%0.717SS**  trans-90.184.8169.4-147.30000106.4H67 L71H67-V69 PolarHBondContact O-N 2.84Å; V69-L71 PolarHBondContact O-N 3.12Å
70D34.2Very low50.3Low152 Ų152134.3 Ų134.381%0.81373%0.734SS**  trans-82.9111.1178.2-133.60.2000109.5E68E68-D70 PolarHBondContact O-N 2.84Å
71L39.9Very low47.9Very low151 Ų151140.3 Ų140.379%0.79176%0.762SS**  trans-9593.6176.6-71170.6000109.3V69V69-L71 PolarHBondContact O-N 3.12Å
72S32.2Very low45.6Very low115 Ų115142.9 Ų142.980%0.80478%0.775SS**  trans153.9155.4138.8-73.30000113.5
73P48.7Very low43.7Very low128 Ų128141.3 Ų141.383%0.83178%0.775SS**  trans-95.1126.8-161.835.2-27.7000111.8
74S30.4Very low41.7Very low109 Ų109145.2 Ų145.276%0.76279%0.788SS**  trans-162.6117.4152.3-176.80000110.3R76S74-R76 PolarHBondContact O-N 3.24Å
75S41.2Very low40.3Very low111 Ų111147.2 Ų147.278%0.77679%0.79SS**  trans-42.3125.6165.450.10000113
76R30.8Very low39.4Very low235 Ų235144.2 Ų144.289%0.88779%0.791SS**  trans-158.1147.6142.4-100.6174-159.7-1662.9109.6S74S74-R76 PolarHBondContact O-N 3.24Å
77P36.1Very low39Very low122 Ų122145.4 Ų145.479%0.79280%0.802SS**PPolyproline II helixtrans-75130.1-170.824.5-18.5000110L79P77-L79 PolarHBondContact O-N 3.3Å
78S27.5Very low38.5Very low116 Ų116143.3 Ų143.381%0.81179%0.792SS**PPolyproline II helixtrans-62.9117.8175.6510000109.7E80S78-E80 PolarHBondContact O-N 2.91Å
79L35.6Very low38.2Very low170 Ų170139.1 Ų139.189%0.8979%0.786SS**PPolyproline II helixtrans-52.9127.9166.1-143.181.9000108.6P77 M81P77-L79 PolarHBondContact O-N 3.3Å; L79-M81 PolarHBondContact O-N 3.24Å; L79-M81 VanDerWaalsContact O-N 3.09Å
80E40.4Very low38.5Very low193 Ų193141 Ų14190%0.90279%0.79SS**  trans-52.9112.7169.4-74.9168.9130.100109.4S78S78-E80 PolarHBondContact O-N 2.91Å
81M30.3Very low39Very low183 Ų183141.1 Ų141.190%0.90178%0.784SS**  trans-92.496.1162.3-170.4167.1-177.400106.6L79 S83L79-M81 PolarHBondContact O-N 3.24Å; L79-M81 VanDerWaalsContact O-N 3.09Å; M81-S83 PolarHBondContact O-N 2.92Å
82E32.3Very low39.7Very low177 Ų177138.9 Ų138.983%0.82777%0.772SS**  trans-53106.5170.7-160.7-176.1164.300108.9E84E82-E84 PolarHBondContact O-N 3.24Å
83S35.9Very low40.6Very low107 Ų107139 Ų13975%0.74877%0.771SS**  trans-77.999.3173.255.60000108.3M81M81-S83 PolarHBondContact O-N 2.92Å
84E38.3Very low40.8Very low168 Ų168143.8 Ų143.879%0.78577%0.772SS**  trans-56.2132165.5-80.6-156.915500109.5E82 V86E82-E84 PolarHBondContact O-N 3.24Å; E84-V86 PolarHBondContact O-N 3.45Å
85P41Very low41.8Very low101 Ų101146.5 Ų146.566%0.65677%0.77SS**  trans-72.8118.6178.629.8-32.1000108.7V87P85-V87 HydrophobicContact CB-CG1 4.23Å; P85-V87 PolarHBondContact O-N 3.44Å
86V48Very low42.1Very low126 Ų126151.2 Ų151.276%0.76478%0.777SS**  trans-69.475.5171.5-177.30000109.3E84 H88 A89E84-V86 PolarHBondContact O-N 3.45Å; V86-H88 VanDerWaalsContact C-N 3.27Å; V86-A89 HydrophobicContact CG1-CB 4.03Å
87V48.1Very low43.1Very low113 Ų113143.6 Ų143.669%0.68576%0.759SS**  trans-87.17.7175.5-74.60000112.9P85P85-V87 HydrophobicContact CB-CG1 4.23Å; P85-V87 PolarHBondContact O-N 3.44Å
88H43.1Very low43.5Very low130 Ų130148 Ų14860%0.60276%0.76SS**  trans-114.7-1.1-170.9-88.2-87.1000116.6V86 L90 K91V86-H88 VanDerWaalsContact C-N 3.27Å; H88-L90 VanDerWaalsContact C-N 3.31Å; H88-L90 PolarHBondContact O-N 3.37Å; H88-K91 PolarHBondContact CE1-NZ 2.85Å
89A44.6Very low44.5Very low80 Ų80148 Ų14866%0.66176%0.759SS**THydrogen-bonded Turntrans-80.1-2.1-176.900000115.4V86V86-A89 HydrophobicContact CG1-CB 4.03Å
90L50.4Low44.8Very low173 Ų173147.7 Ų147.791%0.90675%0.751SS**THydrogen-bonded Turntrans-124.546.7-179.3-65.6175.4000112.9H88H88-L90 VanDerWaalsContact C-N 3.31Å; H88-L90 PolarHBondContact O-N 3.37Å
91K45.2Very low45Very low156 Ų156145.8 Ų145.868%0.67875%0.746SS**  trans-103.298.1166.9-81.1-176.7179.3177.10110.3H88 P93H88-K91 PolarHBondContact CE1-NZ 2.85Å; K91-P93 WeakPolarHBondContact O-CD 3.35Å
92D53.1Low45.7Very low103 Ų103141.4 Ų141.455%0.55173%0.731SS**  trans-69.3117.4162.1177.3-1.6000108.8R94D92-R94 PolarHBondContact O-N 3.28Å; D92-R94 VanDerWaalsContact O-N 3.11Å; D92-R94 WeakPolarHBondContact OD1-CB 3.45Å; D92-R94 PolarHBondContact OD1-N 2.86Å
93P51.6Low46.5Very low119 Ų119142.2 Ų142.277%0.77373%0.732SS**THydrogen-bonded Turntrans-68-6.3-178.826.6-32.7000114.1K91K91-P93 WeakPolarHBondContact O-CD 3.35Å
94R54Low47.1Very low227 Ų227144.2 Ų144.286%0.85773%0.734SS**THydrogen-bonded Turntrans-94.4-8-176.5-64.4-173.5-176.1-174.82.7115.4D92 K96D92-R94 PolarHBondContact O-N 3.28Å; D92-R94 VanDerWaalsContact O-N 3.11Å; D92-R94 WeakPolarHBondContact OD1-CB 3.45Å; D92-R94 PolarHBondContact OD1-N 2.86Å; R94-K96 PolarHBondContact O-N 2.88Å
95K50.1Low48Very low166 Ų166139.1 Ų139.172%0.72272%0.721SS**  trans-101.378.1175.7-104.7-178.2176.6177.40112S97K95-S97 PolarHBondContact O-N 3.49Å; K95-S97 VanDerWaalsContact O-N 3.15Å
96K47.7Very low49.7Very low210 Ų210137.4 Ų137.491%0.91371%0.709SS**  trans-75.726.9161.3-78.7-172.4179.31780112.9R94 R98R94-K96 PolarHBondContact O-N 2.88Å; K96-R98 PolarHBondContact O-N 2.81Å
97S51.8Low51.7Low75 Ų75134.8 Ų134.852%0.52469%0.693SS.*  trans-83.698.2161.174.30000106.8K95 C99K95-S97 PolarHBondContact O-N 3.49Å; K95-S97 VanDerWaalsContact O-N 3.15Å; S97-C99 VanDerWaalsContact C-N 3.35Å; S97-C99 PolarHBondContact O-N 3.47Å
98R44.7Very low54Low214 Ų214129.6 Ų129.681%0.80866%0.662SS**  trans-42.1102.5164-167.9177.4-171.1179.42.4107.3K96 K100K96-R98 PolarHBondContact O-N 2.81Å; R98-K100 HydrophobicContact CG-CG 4.31Å; R98-K100 PolarHBondContact O-N 2.81Å
99C47.7Very low56.6Low118 Ų118124.8 Ų124.880%0.79764%0.643SS**  trans-64.484.9164.2-73.70000104.9S97 L101S97-C99 VanDerWaalsContact C-N 3.35Å; S97-C99 PolarHBondContact O-N 3.47Å; C99-L101 PolarHBondContact O-N 3.27Å
100K43.2Very low59.2Low162 Ų162121.1 Ų121.170%0.70461%0.613SS**  trans-59.4104.6156.3-67-175.3-179.5-178.50102.9R98 P102R98-K100 HydrophobicContact CG-CG 4.31Å; R98-K100 PolarHBondContact O-N 2.81Å; K100-P102 WeakPolarHBondContact O-CD 3.34Å
101L45Very low61.4Low153 Ų153116.1 Ų116.180%0.80158%0.584SS**  trans-53.7111.6160.3-147.983.5000104.1C99 K103C99-L101 PolarHBondContact O-N 3.27Å; L101-K103 PolarHBondContact O-N 3.34Å
102P44.9Very low64Low91 Ų91108.7 Ų108.759%0.59155%0.552SS**  trans-63.9112.8174.3-11.927.7000104.4K100 D104 A105K100-P102 WeakPolarHBondContact O-CD 3.34Å; P102-D104 PolarHBondContact O-N 2.97Å; P102-A105 HydrophobicContact CB-CB 3.97Å; P102-A105 HydrophobicContact CG-CB 4.29Å; P102-A105 PolarHBondContact O-N 2.81Å
103K48.1Very low66.1Low195 Ų195104.5 Ų104.585%0.84853%0.531SS*.THydrogen-bonded Turntrans-63.52.9-177.6-120.8177.1176.1-175.20113.2L101L101-K103 PolarHBondContact O-N 3.34Å
104D49Very low68.3Low148 Ų14899.1 Ų99.179%0.79150%0.495SS*.THydrogen-bonded Turntrans-142.515-176.7-69.4-52.7000115.1P102 T106P102-D104 PolarHBondContact O-N 2.97Å; D104-T106 VanDerWaalsContact C-N 3.34Å; D104-T106 PolarHBondContact O-N 3.46Å
105A56.6Low70.3Confident62 Ų6292.3 Ų92.351%0.51247%0.47SS..  trans-101.456.9168.600000109.7P102 T107P102-A105 HydrophobicContact CB-CB 3.97Å; P102-A105 HydrophobicContact CG-CB 4.29Å; P102-A105 PolarHBondContact O-N 2.81Å; A105-T107 PolarHBondContact O-N 3.29Å
106T76.6Confident72.3Confident65 Ų6587.1 Ų87.140%0.39946%0.457SS..  trans-68109-170.7-36.30000109.3D104 H140 K141D104-T106 VanDerWaalsContact C-N 3.34Å; D104-T106 PolarHBondContact O-N 3.46Å; T106-H140 WeakPolarHBondContact CB-NE2 3.43Å; T106-H140 WeakPolarHBondContact CG2-CD2 3.45Å; T106-H140 VanDerWaalsContact CG2-CE1 3.44Å; T106-H140 WeakPolarHBondContact CG2-CE1 3.5Å; T106-H140 WeakPolarHBondContact CG2-NE2 3.07Å; T106-H140 PolarHBondContact O-NE2 3.17Å; T106-K141 WeakPolarHBondContact O-CD 3.47Å; T106-K141 WeakPolarHBondContact O-CE 3.27Å; T106-K141 PolarHBondContact O-NZ 3.5Å
107T90.8Very high74.3Confident71 Ų7182 Ų8244%0.43645%0.446SS..  trans-68.1135.4-176.5-550000110.3A105 S109 K265A105-T107 PolarHBondContact O-N 3.29Å; T107-S109 PolarHBondContact O-N 3.07Å; T107-S109 PolarHBondContact O-OG 3.29Å; T107-K265 HydrophobicContact CG2-CB 3.72Å; T107-K265 HydrophobicContact CG2-CG 4.41Å; T107-K265 WeakPolarHBondContact CG2-O 3.24Å
108P96.8Very high76.2Confident4 Ų479.9 Ų79.93%0.02643%0.427CS..  trans-50.2125.6174.5-27.533000111.8H140 K141 M142 E153 Y157 K265P108-H140 CarbonylContact C-O 3.48Å; P108-H140 WeakPolarHBondContact CA-O 3.05Å; P108-K141 HydrophobicContact CB-CB 4.09Å; P108-K141 HydrophobicContact CG-CB 4.02Å; P108-K141 HydrophobicContact CG-CD 4.29Å; P108-M142 HydrophobicContact CB-CG 4.21Å; P108-E153 HydrophobicContact CG-CB 4.1Å; P108-E153 VanDerWaalsContact CG-CD 3.48Å; P108-E153 HydrophobicContact CG-CG 4.09Å; P108-E153 VanDerWaalsContact CG-OE2 3.3Å; P108-E153 WeakPolarHBondContact CG-OE2 3.34Å; P108-Y157 HydrophobicContact CB-CE1 4.13Å; P108-K265 HydrophobicContact CB-CB 4.03Å; P108-K265 HydrophobicContact CB-CD 4.42Å; P108-K265 HydrophobicContact CG-CB 4.22Å; P108-K265 HydrophobicContact CG-CD 3.82Å; P108-K265 PolarHBondContact O-N 2.97Å
109S97.1Very high78.3Confident29 Ų2977.5 Ų77.520%0.20343%0.425CS..EExtended strand (participates in β ladder)trans-154.3151.9-176.649.50000111.9T107 H140 A263T107-S109 PolarHBondContact O-N 3.07Å; T107-S109 PolarHBondContact O-OG 3.29Å; S109-H140 PolarHBondContact N-O 3.03Å; S109-H140 PolarHBondContact O-N 2.78Å; S109-H140 VanDerWaalsContact O-O 3.1Å; S109-A263 CarbonylContact C-O 3.49Å; S109-A263 VanDerWaalsContact CA-O 3.26Å; S109-A263 WeakPolarHBondContact CA-O 3.49Å
110A98.1Very high80.2Confident3 Ų373.4 Ų73.43%0.02539%0.394CS..EExtended strand (participates in β ladder)trans-145.4140.7175.200000110.7N138 L139 M142 L149 Y160 G262 A263A110-N138 CarbonylContact C-O 3.6Å; A110-N138 WeakPolarHBondContact CA-O 3.22Å; A110-L139 HydrophobicContact CB-CD2 3.75Å; A110-M142 HydrophobicContact CB-CB 4.49Å; A110-M142 HydrophobicContact CB-SD 3.78Å; A110-L149 HydrophobicContact CB-CD1 3.52Å; A110-L149 HydrophobicContact CB-CD2 3.78Å; A110-L149 HydrophobicContact CB-CG 4.31Å; A110-Y160 PolarHBondContact O-OH 2.83Å; A110-G262 CarbonylContact O-C 3.49Å; A110-G262 WeakPolarHBondContact O-CA 3.34Å; A110-A263 PolarHBondContact N-O 2.96Å; A110-A263 PolarHBondContact O-N 3.41Å
111H98Very high82Confident67 Ų6770.9 Ų70.931%0.3139%0.393SS..EExtended strand (participates in β ladder)trans-139.8110.5166.4-175.986000108.2G137 N138 Y160 Y260H111-G137 CarbonylContact O-C 3.57Å; H111-G137 VanDerWaalsContact O-CA 3.25Å; H111-G137 WeakPolarHBondContact O-CA 3.22Å; H111-N138 HydrophobicContact CB-CB 4.37Å; H111-N138 PolarHBondContact N-O 2.79Å; H111-N138 PolarHBondContact O-N 3.34Å; H111-Y160 WeakPolarHBondContact CB-OH 3.46Å; H111-Y160 AromaticContact ND1-CE2 3.65Å; H111-Y160 AromaticContact ND1-CZ 3.74Å; H111-Y160 PolarHBondContact ND1-OH 3.05Å; H111-Y260 AromaticContact CE1-CD2 3.48Å; H111-Y260 VanDerWaalsContact CE1-CD2 3.48Å; H111-Y260 WeakPolarHBondContact CE1-CD2 3.46Å; H111-Y260 AromaticContact CE1-CG 3.59Å; H111-Y260 AromaticContact NE2-CG 3.97Å
112L98.3Very high83.6Confident0 Ų070.3 Ų70.30%038%0.384CS..EExtended strand (participates in β ladder)trans-117.9111.6-173-59.6175.1000109.3W132 D134 L139 Y144 L149 Y260 F261L112-W132 HydrophobicContact CB-CB 3.69Å; L112-W132 HydrophobicContact CB-CG 4.18Å; L112-W132 HydrophobicContact CD1-CB 4.11Å; L112-W132 HydrophobicContact CD1-CG 4.47Å; L112-W132 HydrophobicContact CG-CB 4.47Å; L112-W132 VanDerWaalsContact O-CE3 3.29Å; L112-D134 HydrophobicContact CD2-CB 4.42Å; L112-L139 HydrophobicContact CD1-CD2 4.46Å; L112-L139 HydrophobicContact CD2-CD1 4.01Å; L112-L139 HydrophobicContact CD2-CD2 3.9Å; L112-L139 HydrophobicContact CD2-CG 3.76Å; L112-L139 HydrophobicContact CG-CD2 4.42Å; L112-Y144 HydrophobicContact CD1-CD2 3.69Å; L112-Y144 HydrophobicContact CD1-CE2 4.22Å; L112-Y144 HydrophobicContact CD1-CG 4.39Å; L112-L149 HydrophobicContact CD1-CD1 4.16Å; L112-Y260 CarbonylContact O-C 3.52Å; L112-Y260 VanDerWaalsContact O-CA 3.31Å; L112-Y260 WeakPolarHBondContact O-CA 3.29Å; L112-F261 PolarHBondContact N-O 3.03Å; L112-F261 PolarHBondContact O-N 2.79Å
113P97.9Very high84.7Confident16 Ų1671.7 Ų71.710%0.10438%0.38CS..EExtended strand (participates in β ladder)trans-72.1162.3169.629.7-30.4000110.6W132 D133 A256P113-W132 WeakPolarHBondContact O-CA 3.34Å; P113-D133 HydrophobicContact CG-CB 4.27Å; P113-D133 PolarHBondContact O-N 3.24Å; P113-A256 HydrophobicContact CB-CB 3.64Å
114I97.6Very high85.8Confident5 Ų565.5 Ų65.53%0.02636%0.356CS..BIsolated β-bridgetrans-59.2141.9175.3-172166.3000111.2A116 I130 W132 L252 Q254 T259I114-A116 PolarHBondContact O-N 2.89Å; I114-I130 HydrophobicContact CD1-CG2 4.31Å; I114-I130 HydrophobicContact CG1-CG2 4.16Å; I114-W132 HydrophobicContact CB-CE3 4.46Å; I114-W132 HydrophobicContact CB-CZ3 4.31Å; I114-L252 HydrophobicContact CD1-CD2 3.43Å; I114-L252 VanDerWaalsContact CD1-CD2 3.43Å; I114-L252 HydrophobicContact CD1-CG 3.92Å; I114-Q254 WeakPolarHBondContact CG2-O 3.42Å; I114-T259 HydrophobicContact CB-CG2 3.97Å; I114-T259 HydrophobicContact CD1-CG2 4Å; I114-T259 HydrophobicContact CG1-CG2 4.47Å; I114-T259 HydrophobicContact CG2-CG2 4.47Å; I114-T259 PolarHBondContact N-O 2.91Å
115R96.4Very high87Confident85 Ų8566.7 Ų66.732%0.32135%0.351SS..PPolyproline II helixtrans-75.7122.9170.3-174.1178.1-66.7164.5-7.9109.3Q118 K131 W132 D133 D134R115-Q118 WeakPolarHBondContact O-CB 3.42Å; R115-K131 HydrophobicContact CB-CB 4.49Å; R115-K131 VanDerWaalsContact CB-O 3.3Å; R115-K131 WeakPolarHBondContact CB-O 3.26Å; R115-K131 PolarHBondContact N-O 2.88Å; R115-W132 PolarHBondContact NE-O 2.79Å; R115-W132 PolarHBondContact NH2-O 2.82Å; R115-W132 VanDerWaalsContact NH2-O 3.11Å; R115-D133 HydrophobicContact CB-CB 4.43Å; R115-D134 IonicContact NH2-OD1 3.96Å; R115-D134 PolarHBondContact NH2-OD1 3.35Å
116A92.3Very high88.4Confident56 Ų5666 Ų6646%0.46334%0.342SS..SBendtrans-121.5142.117700000111.2I114 Q254I114-A116 PolarHBondContact O-N 2.89Å; A116-Q254 HydrophobicContact CB-CB 4.1Å
117P90.3Very high89.1Confident104 Ų10465.8 Ų65.868%0.67534%0.338SS*.SBendcis-74.1145.3-7.831-33.6000111.9
118Q91.4Very high89.3Confident29 Ų2964.4 Ų64.414%0.13633%0.327CS..  trans-122.1110.4169.4-170.1170.818.300110.2R115 F120 K131 Q254R115-Q118 WeakPolarHBondContact O-CB 3.42Å; Q118-F120 HydrophobicContact CB-CE2 3.98Å; Q118-F120 HydrophobicContact CB-CZ 3.93Å; Q118-F120 VanDerWaalsContact CD-CE1 3.48Å; Q118-F120 HydrophobicContact CG-CD1 4.41Å; Q118-F120 HydrophobicContact CG-CE1 3.69Å; Q118-F120 HydrophobicContact CG-CE2 3.92Å; Q118-F120 HydrophobicContact CG-CZ 3.43Å; Q118-F120 VanDerWaalsContact CG-CZ 3.43Å; Q118-F120 VanDerWaalsContact O-CD2 3.26Å; Q118-F120 WeakPolarHBondContact O-CD2 3.28Å; Q118-F120 WeakPolarHBondContact O-CE2 3.28Å; Q118-K131 VanDerWaalsContact NE2-CG 3.27Å; Q118-Q254 PolarHBondContact O-NE2 3.38Å
119E87.6Confident89.3Confident164 Ų16465.8 Ų65.877%0.76633%0.334SS*.  trans-76.6130.6-179.8-65.1-58.1146.200111.1
120F87.5Confident89.3Confident32 Ų3264.4 Ų64.414%0.1433%0.325CS..  trans-128.6134176.6-57.6-70.9000109.9Q118 K122 I128 A249 W250 L252Q118-F120 HydrophobicContact CB-CE2 3.98Å; Q118-F120 HydrophobicContact CB-CZ 3.93Å; Q118-F120 VanDerWaalsContact CD-CE1 3.48Å; Q118-F120 HydrophobicContact CG-CD1 4.41Å; Q118-F120 HydrophobicContact CG-CE1 3.69Å; Q118-F120 HydrophobicContact CG-CE2 3.92Å; Q118-F120 HydrophobicContact CG-CZ 3.43Å; Q118-F120 VanDerWaalsContact CG-CZ 3.43Å; Q118-F120 VanDerWaalsContact O-CD2 3.26Å; Q118-F120 WeakPolarHBondContact O-CD2 3.28Å; Q118-F120 WeakPolarHBondContact O-CE2 3.28Å; F120-K122 PolarHBondContact O-N 2.84Å; F120-I128 HydrophobicContact CD1-CG2 3.9Å; F120-I128 HydrophobicContact CE1-CG2 3.64Å; F120-A249 HydrophobicContact CB-CB 4.36Å; F120-A249 HydrophobicContact CD1-CB 3.62Å; F120-A249 HydrophobicContact CD2-CB 4.24Å; F120-A249 WeakPolarHBondContact CD2-O 3.4Å; F120-A249 HydrophobicContact CE1-CB 3.81Å; F120-A249 HydrophobicContact CE2-CB 4.4Å; F120-A249 WeakPolarHBondContact CE2-O 3.09Å; F120-A249 HydrophobicContact CG-CB 3.83Å; F120-A249 HydrophobicContact CZ-CB 4.17Å; F120-W250 HydrophobicContact CB-CB 3.99Å; F120-L252 HydrophobicContact CE2-CB 4.31Å; F120-L252 HydrophobicContact CE2-CD2 4.29Å; F120-L252 HydrophobicContact CZ-CD2 4.16Å
121T82.5Confident89.3Confident110 Ų11066.1 Ų66.168%0.67533%0.332SS*.  trans-68.7123.3179.2-51.70000110.9D124T121-D124 PolarHBondContact O-N 2.82Å
122K77.1Confident89.3Confident140 Ų14063 Ų6361%0.60932%0.317SS*.THydrogen-bonded Turntrans-60.9138.2173.8-66.5178.5-178.1174.10109.7F120 D124 P184 W250F120-K122 PolarHBondContact O-N 2.84Å; K122-D124 VanDerWaalsContact C-N 3.26Å; K122-D124 PolarHBondContact O-N 2.84Å; K122-P184 HydrophobicContact CD-CG 4.1Å; K122-W250 HydrophobicContact CG-CB 4.43Å; K122-W250 HydrophobicContact CG-CD2 4.42Å; K122-W250 HydrophobicContact CG-CE3 4.24Å
123K69.3Low89.2Confident121 Ų12164.2 Ų64.253%0.52632%0.324SS..THydrogen-bonded Turntrans70.212.4-177.9-48.5175.6-179.8175.20115.4Y125K123-Y125 WeakPolarHBondContact O-CD2 3.41Å; K123-Y125 PolarHBondContact O-N 3.03Å
124D71.1Confident89Confident64 Ų6466.2 Ų66.234%0.34233%0.334SS..  trans-78.2112160.5-168.74.2000109.1T121 K122 S126T121-D124 PolarHBondContact O-N 2.82Å; K122-D124 VanDerWaalsContact C-N 3.26Å; K122-D124 PolarHBondContact O-N 2.84Å; D124-S126 VanDerWaalsContact C-N 3.25Å; D124-S126 WeakPolarHBondContact OD1-CB 3.09Å; D124-S126 PolarHBondContact OD1-N 2.77Å; D124-S126 PolarHBondContact OD1-OG 3.44Å; D124-S126 PolarHBondContact OD2-OG 2.98Å
125Y73.7Confident88.8Confident174 Ų17473.7 Ų73.768%0.68237%0.368SS*.  trans-87.62.2175.2-59.9-77.5000112K123K123-Y125 WeakPolarHBondContact O-CD2 3.41Å; K123-Y125 PolarHBondContact O-N 3.03Å
126S85Confident88.6Confident47 Ų4776.7 Ų76.733%0.32939%0.386SS..SBendtrans-65.3155.9174.983.90000111.5D124 I128D124-S126 VanDerWaalsContact C-N 3.25Å; D124-S126 WeakPolarHBondContact OD1-CB 3.09Å; D124-S126 PolarHBondContact OD1-N 2.77Å; D124-S126 PolarHBondContact OD1-OG 3.44Å; D124-S126 PolarHBondContact OD2-OG 2.98Å; S126-I128 PolarHBondContact O-N 3.32Å; S126-I128 VanDerWaalsContact OG-CD1 3.28Å; S126-I128 WeakPolarHBondContact OG-CD1 3.23Å
127M91.6Very high88.6Confident61 Ų6174.9 Ų74.930%0.337%0.372SS..  trans-76.9119.1172.1-68.8-57.5-4600108.5Y194 E245 V246M127-Y194 HydrophobicContact CE-CD2 3.08Å; M127-Y194 HydrophobicContact CE-CE2 3.18Å; M127-Y194 HydrophobicContact CE-CG 4.08Å; M127-Y194 HydrophobicContact SD-CD2 4.03Å; M127-Y194 HydrophobicContact SD-CE2 3.47Å; M127-Y194 WeakPolarHBondContact SD-CE2 3.42Å; M127-E245 HydrophobicContact CB-CB 4.35Å; M127-E245 HydrophobicContact CE-CB 3.73Å; M127-V246 WeakPolarHBondContact CE-O 3.22Å
128I95.6Very high88.8Confident42 Ų4274.6 Ų74.622%0.21537%0.365CS..EExtended strand (participates in β ladder)trans-104.3131.5-178.3-58.9-62.7000110.1F120 S126 E245 V246 A249F120-I128 HydrophobicContact CD1-CG2 3.9Å; F120-I128 HydrophobicContact CE1-CG2 3.64Å; S126-I128 PolarHBondContact O-N 3.32Å; S126-I128 VanDerWaalsContact OG-CD1 3.28Å; S126-I128 WeakPolarHBondContact OG-CD1 3.23Å; I128-E245 CarbonylContact O-C 3.53Å; I128-E245 WeakPolarHBondContact O-CA 3.39Å; I128-V246 PolarHBondContact N-O 2.88Å; I128-V246 PolarHBondContact O-N 2.87Å; I128-A249 HydrophobicContact CB-CB 3.71Å; I128-A249 HydrophobicContact CG1-CB 3.85Å; I128-A249 HydrophobicContact CG2-CB 4.13Å
129N96.8Very high89.1Confident32 Ų3275.8 Ų75.817%0.17137%0.372CS..EExtended strand (participates in β ladder)trans-74.8121.2171.3-175.8-44.4000110F243 V244 E245N129-F243 WeakPolarHBondContact ND2-CD2 3.41Å; N129-V244 WeakPolarHBondContact CA-O 3.5Å; N129-E245 HydrophobicContact CB-CG 4.16Å
130I97.1Very high89.5Confident0 Ų070.6 Ų70.60%035%0.348CS..PPolyproline II helixtrans-72.1134.7-179.6-59.1173.8000109.6I114 W132 T163 V244 V246 L252I114-I130 HydrophobicContact CD1-CG2 4.31Å; I114-I130 HydrophobicContact CG1-CG2 4.16Å; I130-W132 HydrophobicContact CB-CH2 4.28Å; I130-W132 HydrophobicContact CB-CZ2 3.7Å; I130-W132 HydrophobicContact CD1-CH2 3.91Å; I130-W132 HydrophobicContact CD1-CZ2 3.85Å; I130-W132 HydrophobicContact CG1-CZ2 4.36Å; I130-W132 HydrophobicContact CG2-CD2 3.94Å; I130-W132 HydrophobicContact CG2-CE3 4.09Å; I130-W132 HydrophobicContact CG2-CH2 3.78Å; I130-W132 HydrophobicContact CG2-CZ2 3.6Å; I130-W132 HydrophobicContact CG2-CZ3 4.01Å; I130-W132 PolarHBondContact O-NE1 2.84Å; I130-T163 HydrophobicContact CD1-CG2 3.79Å; I130-V244 HydrophobicContact CD1-CG1 3.97Å; I130-V244 PolarHBondContact N-O 2.88Å; I130-V246 HydrophobicContact CD1-CB 4.46Å; I130-V246 HydrophobicContact CD1-CG1 3.68Å; I130-V246 HydrophobicContact CD1-CG2 3.96Å; I130-V246 HydrophobicContact CG1-CG1 4.42Å; I130-V246 HydrophobicContact CG1-CG2 3.89Å; I130-L252 HydrophobicContact CD1-CD1 4.35Å; I130-L252 HydrophobicContact CD1-CD2 3.72Å; I130-L252 HydrophobicContact CG1-CD2 3.84Å; I130-L252 HydrophobicContact CG2-CD2 4.3Å
131K97.7Very high89.9Confident40 Ų4073.4 Ų73.417%0.17436%0.36CS..PPolyproline II helixtrans-94.9130.8170.8-56.6-64.1169.5172.50108.4R115 Q118 D146R115-K131 HydrophobicContact CB-CB 4.49Å; R115-K131 VanDerWaalsContact CB-O 3.3Å; R115-K131 WeakPolarHBondContact CB-O 3.26Å; R115-K131 PolarHBondContact N-O 2.88Å; Q118-K131 VanDerWaalsContact NE2-CG 3.27Å; K131-D146 WeakPolarHBondContact CE-OD1 3.42Å; K131-D146 PolarHBondContact NZ-O 2.89Å; K131-D146 IonicContact NZ-OD1 3.44Å; K131-D146 PolarHBondContact NZ-OD1 3.49Å; K131-D146 IonicContact NZ-OD2 3.15Å; K131-D146 PolarHBondContact NZ-OD2 2.88Å
132W97.9Very high90.6Very high0 Ų068.7 Ų68.70%033%0.33CS..BIsolated β-bridgetrans-104.6154.1-176.7-51.697000111L112 P113 I114 R115 I130 D134 Y144 V244 T259 Y260 F261L112-W132 HydrophobicContact CB-CB 3.69Å; L112-W132 HydrophobicContact CB-CG 4.18Å; L112-W132 HydrophobicContact CD1-CB 4.11Å; L112-W132 HydrophobicContact CD1-CG 4.47Å; L112-W132 HydrophobicContact CG-CB 4.47Å; L112-W132 VanDerWaalsContact O-CE3 3.29Å; P113-W132 WeakPolarHBondContact O-CA 3.34Å; I114-W132 HydrophobicContact CB-CE3 4.46Å; I114-W132 HydrophobicContact CB-CZ3 4.31Å; R115-W132 PolarHBondContact NE-O 2.79Å; R115-W132 PolarHBondContact NH2-O 2.82Å; R115-W132 VanDerWaalsContact NH2-O 3.11Å; I130-W132 HydrophobicContact CB-CH2 4.28Å; I130-W132 HydrophobicContact CB-CZ2 3.7Å; I130-W132 HydrophobicContact CD1-CH2 3.91Å; I130-W132 HydrophobicContact CD1-CZ2 3.85Å; I130-W132 HydrophobicContact CG1-CZ2 4.36Å; I130-W132 HydrophobicContact CG2-CD2 3.94Å; I130-W132 HydrophobicContact CG2-CE3 4.09Å; I130-W132 HydrophobicContact CG2-CH2 3.78Å; I130-W132 HydrophobicContact CG2-CZ2 3.6Å; I130-W132 HydrophobicContact CG2-CZ3 4.01Å; I130-W132 PolarHBondContact O-NE1 2.84Å; W132-D134 PolarHBondContact O-N 2.94Å; W132-Y144 HydrophobicContact CB-CE2 3.92Å; W132-Y144 AromaticContact CD1-CE2 3.92Å; W132-Y144 HydrophobicContact CG-CE2 4.33Å; W132-Y144 PolarHBondContact N-OH 2.84Å; W132-Y144 PolarHBondContact O-OH 3.21Å; W132-Y144 VanDerWaalsContact O-OH 3.13Å; W132-V244 HydrophobicContact CZ2-CB 3.8Å; W132-V244 HydrophobicContact CZ2-CG1 4.24Å; W132-V244 HydrophobicContact CZ2-CG2 3.84Å; W132-T259 HydrophobicContact CH2-CG2 3.98Å; W132-T259 HydrophobicContact CZ3-CG2 3.88Å; W132-Y260 VanDerWaalsContact CZ3-CA 3.48Å; W132-F261 HydrophobicContact CD2-CB 3.94Å; W132-F261 HydrophobicContact CE3-CB 4.09Å; W132-F261 HydrophobicContact CH2-CB 3.64Å; W132-F261 HydrophobicContact CZ2-CB 3.43Å; W132-F261 VanDerWaalsContact CZ2-CB 3.43Å; W132-F261 HydrophobicContact CZ2-CG 4.2Å; W132-F261 HydrophobicContact CZ3-CB 3.97Å; W132-F261 AromaticContact NE1-CD1 3.85Å
133D96.8Very high91.5Very high27 Ų2763.5 Ų63.514%0.14431%0.311CS..  trans-87.2100.9176.6-169.1-22.1000109.9P113 R115 Q135 H136 G137P113-D133 HydrophobicContact CG-CB 4.27Å; P113-D133 PolarHBondContact O-N 3.24Å; R115-D133 HydrophobicContact CB-CB 4.43Å; D133-Q135 WeakPolarHBondContact OD1-CA 3.48Å; D133-Q135 WeakPolarHBondContact OD1-CB 3.36Å; D133-Q135 PolarHBondContact OD1-N 3.23Å; D133-H136 IonicContact OD1-CG 3.59Å; D133-H136 PolarHBondContact OD1-N 2.88Å; D133-H136 IonicContact OD1-ND1 3.99Å; D133-H136 PolarHBondContact OD1-ND1 3.42Å; D133-H136 IonicContact OD2-CE1 3.35Å; D133-H136 IonicContact OD2-CG 3.66Å; D133-H136 IonicContact OD2-ND1 3.93Å; D133-H136 PolarHBondContact OD2-ND1 3.29Å; D133-G137 WeakPolarHBondContact O-CA 3.31Å; D133-G137 PolarHBondContact O-N 3.2Å
134D94.6Very high92.9Very high58 Ų5859 Ų5931%0.3129%0.292SS..THydrogen-bonded Turntrans-84.6-10.617757.8-52.9000113.7L112 R115 W132 L139 Y144L112-D134 HydrophobicContact CD2-CB 4.42Å; R115-D134 IonicContact NH2-OD1 3.96Å; R115-D134 PolarHBondContact NH2-OD1 3.35Å; W132-D134 PolarHBondContact O-N 2.94Å; D134-L139 HydrophobicContact CB-CD1 3.82Å; D134-Y144 HydrophobicContact CB-CD1 3.42Å; D134-Y144 VanDerWaalsContact CB-CD1 3.42Å; D134-Y144 HydrophobicContact CB-CE1 4.05Å; D134-Y144 HydrophobicContact CB-CG 3.84Å
135Q92.9Very high94.1Very high162 Ų16260.7 Ų60.776%0.75730%0.3SS*.THydrogen-bonded Turntrans-83.6-40.3176.5-62.7-172-5.200111.4D133D133-Q135 WeakPolarHBondContact OD1-CA 3.48Å; D133-Q135 WeakPolarHBondContact OD1-CB 3.36Å; D133-Q135 PolarHBondContact OD1-N 3.23Å
136H92.7Very high95.1Very high148 Ų14856.9 Ų56.969%0.68529%0.292SS*.THydrogen-bonded Turntrans-100.1-7.3177.6-54.5103.4000113D133D133-H136 IonicContact OD1-CG 3.59Å; D133-H136 PolarHBondContact OD1-N 2.88Å; D133-H136 IonicContact OD1-ND1 3.99Å; D133-H136 PolarHBondContact OD1-ND1 3.42Å; D133-H136 IonicContact OD2-CE1 3.35Å; D133-H136 IonicContact OD2-CG 3.66Å; D133-H136 IonicContact OD2-ND1 3.93Å; D133-H136 PolarHBondContact OD2-ND1 3.29Å
137G91.8Very high95.6Very high17 Ų1754.7 Ų54.718%0.17528%0.276CS..SBendtrans-75.9161.4171.100000113.2H111 D133H111-G137 CarbonylContact O-C 3.57Å; H111-G137 VanDerWaalsContact O-CA 3.25Å; H111-G137 WeakPolarHBondContact O-CA 3.22Å; D133-G137 WeakPolarHBondContact O-CA 3.31Å; D133-G137 PolarHBondContact O-N 3.2Å
138N95.1Very high95.9Very high99 Ų9952.5 Ų52.553%0.52927%0.266SS..EExtended strand (participates in β ladder)trans-90.2121169.4-170.3-32.8000108.9A110 H111A110-N138 CarbonylContact C-O 3.6Å; A110-N138 WeakPolarHBondContact CA-O 3.22Å; H111-N138 HydrophobicContact CB-CB 4.37Å; H111-N138 PolarHBondContact N-O 2.79Å; H111-N138 PolarHBondContact O-N 3.34Å
139L96.1Very high96.1Very high54 Ų5450.5 Ų50.528%0.28326%0.256SS..EExtended strand (participates in β ladder)trans-128.4115.5173.3-77.6169.4000109.4A110 L112 D134 M142 L149A110-L139 HydrophobicContact CB-CD2 3.75Å; L112-L139 HydrophobicContact CD1-CD2 4.46Å; L112-L139 HydrophobicContact CD2-CD1 4.01Å; L112-L139 HydrophobicContact CD2-CD2 3.9Å; L112-L139 HydrophobicContact CD2-CG 3.76Å; L112-L139 HydrophobicContact CG-CD2 4.42Å; D134-L139 HydrophobicContact CB-CD1 3.82Å; L139-M142 HydrophobicContact CD2-CB 4.36Å; L139-L149 HydrophobicContact CD2-CD1 3.69Å
140H96.2Very high96.1Very high55 Ų5551.1 Ų51.126%0.25526%0.259SS..EExtended strand (participates in β ladder)trans-130.4116.9178.5-172.372.7000110.9T106 P108 S109 M142T106-H140 WeakPolarHBondContact CB-NE2 3.43Å; T106-H140 WeakPolarHBondContact CG2-CD2 3.45Å; T106-H140 VanDerWaalsContact CG2-CE1 3.44Å; T106-H140 WeakPolarHBondContact CG2-CE1 3.5Å; T106-H140 WeakPolarHBondContact CG2-NE2 3.07Å; T106-H140 PolarHBondContact O-NE2 3.17Å; P108-H140 CarbonylContact C-O 3.48Å; P108-H140 WeakPolarHBondContact CA-O 3.05Å; S109-H140 PolarHBondContact N-O 3.03Å; S109-H140 PolarHBondContact O-N 2.78Å; S109-H140 VanDerWaalsContact O-O 3.1Å; H140-M142 PolarHBondContact O-N 3.36Å
141K96.1Very high96.2Very high91 Ų9151.2 Ų51.240%0.39626%0.259SS..SBendtrans49.133.8-176.1-64.1169174.1-173.60113.1T106 P108 R152 E153T106-K141 WeakPolarHBondContact O-CD 3.47Å; T106-K141 WeakPolarHBondContact O-CE 3.27Å; T106-K141 PolarHBondContact O-NZ 3.5Å; P108-K141 HydrophobicContact CB-CB 4.09Å; P108-K141 HydrophobicContact CG-CB 4.02Å; P108-K141 HydrophobicContact CG-CD 4.29Å; K141-R152 WeakPolarHBondContact O-CB 3.2Å; K141-E153 WeakPolarHBondContact CD-OE1 2.94Å; K141-E153 IonicContact NZ-OE1 2.77Å
142M96.9Very high96.1Very high11 Ų1155.5 Ų55.55%0.05427%0.274CS..EExtended strand (participates in β ladder)trans-137.8163169.8-60.9-168.876.700106.2P108 A110 L139 H140 L149 V151 Y157 A263P108-M142 HydrophobicContact CB-CG 4.21Å; A110-M142 HydrophobicContact CB-CB 4.49Å; A110-M142 HydrophobicContact CB-SD 3.78Å; L139-M142 HydrophobicContact CD2-CB 4.36Å; H140-M142 PolarHBondContact O-N 3.36Å; M142-L149 HydrophobicContact CB-CD1 4.03Å; M142-L149 HydrophobicContact CE-CD1 4.01Å; M142-L149 HydrophobicContact CE-CD2 3.7Å; M142-L149 HydrophobicContact CE-CG 3.68Å; M142-L149 HydrophobicContact SD-CD1 4.41Å; M142-L149 HydrophobicContact SD-CD2 4.39Å; M142-V151 HydrophobicContact CE-CG2 4.33Å; M142-Y157 HydrophobicContact CE-CD1 4.36Å; M142-Y157 HydrophobicContact CE-CE1 3.98Å; M142-Y157 HydrophobicContact SD-CE1 4.08Å; M142-A263 HydrophobicContact CE-CB 4.15Å; M142-A263 HydrophobicContact SD-CB 4.39Å
143S96.9Very high96.1Very high30 Ų3058.5 Ų58.521%0.2129%0.288CS..EExtended strand (participates in β ladder)trans-130.7163.2174.7-59.60000110.7L149 L150 R152S143-L149 CarbonylContact O-C 3.49Å; S143-L150 PolarHBondContact N-O 2.86Å; S143-L150 VanDerWaalsContact N-O 3.07Å; S143-L150 PolarHBondContact O-N 3.18Å; S143-R152 PolarHBondContact OG-NE 3.29Å; S143-R152 PolarHBondContact OG-NH2 2.92Å
144Y98Very high96.1Very high28 Ų2860 Ų6011%0.1130%0.3CS..EExtended strand (participates in β ladder)trans-125.4137.4178.5174.8-98.3000109.1L112 W132 D134 G147 N148L112-Y144 HydrophobicContact CD1-CD2 3.69Å; L112-Y144 HydrophobicContact CD1-CE2 4.22Å; L112-Y144 HydrophobicContact CD1-CG 4.39Å; W132-Y144 HydrophobicContact CB-CE2 3.92Å; W132-Y144 AromaticContact CD1-CE2 3.92Å; W132-Y144 HydrophobicContact CG-CE2 4.33Å; W132-Y144 PolarHBondContact N-OH 2.84Å; W132-Y144 PolarHBondContact O-OH 3.21Å; W132-Y144 VanDerWaalsContact O-OH 3.13Å; D134-Y144 HydrophobicContact CB-CD1 3.42Å; D134-Y144 VanDerWaalsContact CB-CD1 3.42Å; D134-Y144 HydrophobicContact CB-CE1 4.05Å; D134-Y144 HydrophobicContact CB-CG 3.84Å; Y144-G147 WeakPolarHBondContact OH-CA 3.08Å; Y144-G147 PolarHBondContact OH-N 2.95Å; Y144-N148 CarbonylContact C-O 3.6Å; Y144-N148 WeakPolarHBondContact CA-O 3.3Å; Y144-N148 WeakPolarHBondContact CD2-O 3.45Å
145D96.3Very high96.2Very high98 Ų9857.3 Ų57.352%0.52429%0.287SS..EExtended strand (participates in β ladder)trans-146.3113175.9179.838.8000109.9G147 N148 L150D145-G147 PolarHBondContact O-N 3.15Å; D145-N148 PolarHBondContact N-O 2.75Å; D145-N148 WeakPolarHBondContact O-CA 3.21Å; D145-N148 WeakPolarHBondContact O-CB 3.38Å; D145-N148 PolarHBondContact O-N 3.23Å; D145-N148 PolarHBondContact O-ND2 2.71Å; D145-L150 HydrophobicContact CB-CD1 3.9Å; D145-L150 HydrophobicContact CB-CG 4.45Å
146D94.8Very high96.5Very high95 Ų9552.4 Ų52.451%0.50827%0.266SS..THydrogen-bonded Turntrans44.352.4171.4-164.941000115.6K131 N148K131-D146 WeakPolarHBondContact CE-OD1 3.42Å; K131-D146 PolarHBondContact NZ-O 2.89Å; K131-D146 IonicContact NZ-OD1 3.44Å; K131-D146 PolarHBondContact NZ-OD1 3.49Å; K131-D146 IonicContact NZ-OD2 3.15Å; K131-D146 PolarHBondContact NZ-OD2 2.88Å; D146-N148 VanDerWaalsContact C-N 3.34Å; D146-N148 PolarHBondContact O-ND2 2.69Å
147G96.6Very high96.7Very high0 Ų045.4 Ų45.40%023%0.233CC..THydrogen-bonded Turntrans87.6-1.7-179.200000114.4Y144 D145 F243Y144-G147 WeakPolarHBondContact OH-CA 3.08Å; Y144-G147 PolarHBondContact OH-N 2.95Å; D145-G147 PolarHBondContact O-N 3.15Å; G147-F243 VanDerWaalsContact O-CB 3.25Å; G147-F243 WeakPolarHBondContact O-CB 3.11Å
148N97.8Very high97Very high16 Ų1648.9 Ų48.99%0.08624%0.241CC..EExtended strand (participates in β ladder)trans-107.3124.2178.9-49.7-92.3000110.6Y144 D145 D146 L150 K198 A241 L242Y144-N148 CarbonylContact C-O 3.6Å; Y144-N148 WeakPolarHBondContact CA-O 3.3Å; Y144-N148 WeakPolarHBondContact CD2-O 3.45Å; D145-N148 PolarHBondContact N-O 2.75Å; D145-N148 WeakPolarHBondContact O-CA 3.21Å; D145-N148 WeakPolarHBondContact O-CB 3.38Å; D145-N148 PolarHBondContact O-N 3.23Å; D145-N148 PolarHBondContact O-ND2 2.71Å; D146-N148 VanDerWaalsContact C-N 3.34Å; D146-N148 PolarHBondContact O-ND2 2.69Å; N148-L150 HydrophobicContact CB-CD2 4.3Å; N148-K198 PolarHBondContact OD1-NZ 2.88Å; N148-A241 HydrophobicContact CB-CB 4.19Å; N148-L242 CarbonylContact C-O 3.58Å; N148-L242 WeakPolarHBondContact CA-O 3.43Å
149L98.3Very high97.2Very high0 Ų044.2 Ų44.20%022%0.217CC..EExtended strand (participates in β ladder)trans-86.7112167.8177.967.2000109.1A110 L112 L139 M142 S143 A241 L242 F261 A263A110-L149 HydrophobicContact CB-CD1 3.52Å; A110-L149 HydrophobicContact CB-CD2 3.78Å; A110-L149 HydrophobicContact CB-CG 4.31Å; L112-L149 HydrophobicContact CD1-CD1 4.16Å; L139-L149 HydrophobicContact CD2-CD1 3.69Å; M142-L149 HydrophobicContact CB-CD1 4.03Å; M142-L149 HydrophobicContact CE-CD1 4.01Å; M142-L149 HydrophobicContact CE-CD2 3.7Å; M142-L149 HydrophobicContact CE-CG 3.68Å; M142-L149 HydrophobicContact SD-CD1 4.41Å; M142-L149 HydrophobicContact SD-CD2 4.39Å; S143-L149 CarbonylContact O-C 3.49Å; L149-A241 CarbonylContact O-C 3.57Å; L149-A241 WeakPolarHBondContact O-CA 3.31Å; L149-L242 HydrophobicContact CB-CB 4.4Å; L149-L242 HydrophobicContact CD2-CD1 4.43Å; L149-L242 PolarHBondContact N-O 3.45Å; L149-L242 PolarHBondContact O-N 2.73Å; L149-F261 HydrophobicContact CB-CE1 3.68Å; L149-F261 HydrophobicContact CB-CZ 4.33Å; L149-F261 HydrophobicContact CD2-CE1 3.84Å; L149-F261 HydrophobicContact CD2-CZ 3.97Å; L149-F261 HydrophobicContact CG-CE1 4.42Å; L149-A263 HydrophobicContact CD2-CB 3.91Å
150L97.9Very high97.3Very high45 Ų4543.9 Ų43.924%0.23621%0.212CC..EExtended strand (participates in β ladder)trans-90129.6-175.9-55.1177.2000111.4S143 D145 N148 A241S143-L150 PolarHBondContact N-O 2.86Å; S143-L150 VanDerWaalsContact N-O 3.07Å; S143-L150 PolarHBondContact O-N 3.18Å; D145-L150 HydrophobicContact CB-CD1 3.9Å; D145-L150 HydrophobicContact CB-CG 4.45Å; N148-L150 HydrophobicContact CB-CD2 4.3Å; L150-A241 HydrophobicContact CD2-CB 3.66Å
151V97.9Very high97.4Very high1 Ų141.3 Ų41.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-83124177.6179.60000109.5M142 E153 Y157 L236 V237 G239 D240M142-V151 HydrophobicContact CE-CG2 4.33Å; V151-E153 WeakPolarHBondContact CG1-O 3.46Å; V151-Y157 HydrophobicContact CG1-CE2 3.93Å; V151-L236 HydrophobicContact CG1-CB 4.2Å; V151-L236 HydrophobicContact CG2-CB 3.98Å; V151-L236 HydrophobicContact CG2-CD1 3.72Å; V151-L236 HydrophobicContact CG2-CG 4.41Å; V151-V237 WeakPolarHBondContact CG1-O 3.38Å; V151-G239 PolarHBondContact O-N 3.31Å; V151-D240 HydrophobicContact CB-CB 4.44Å; V151-D240 WeakPolarHBondContact CB-O 3.08Å; V151-D240 HydrophobicContact CG2-CB 4.32Å; V151-D240 PolarHBondContact N-O 3.31Å
152R97.3Very high97.5Very high131 Ų13139.2 Ų39.249%0.49419%0.191SC..  trans-103-12.3178.2-59.4-62.6-167.11431.2114K141 S143 E238K141-R152 WeakPolarHBondContact O-CB 3.2Å; S143-R152 PolarHBondContact OG-NE 3.29Å; S143-R152 PolarHBondContact OG-NH2 2.92Å; R152-E238 WeakPolarHBondContact O-CG 3.1Å
153E96.9Very high97.6Very high63 Ų6338.7 Ų38.729%0.29419%0.188SC..SBendtrans-136135.5177-67-173.7-162.700109.3P108 K141 V151 Y157 K265P108-E153 HydrophobicContact CG-CB 4.1Å; P108-E153 VanDerWaalsContact CG-CD 3.48Å; P108-E153 HydrophobicContact CG-CG 4.09Å; P108-E153 VanDerWaalsContact CG-OE2 3.3Å; P108-E153 WeakPolarHBondContact CG-OE2 3.34Å; K141-E153 WeakPolarHBondContact CD-OE1 2.94Å; K141-E153 IonicContact NZ-OE1 2.77Å; V151-E153 WeakPolarHBondContact CG1-O 3.46Å; E153-Y157 WeakPolarHBondContact O-CE2 3.24Å; E153-Y157 PolarHBondContact O-OH 2.99Å; E153-K265 IonicContact OE2-NZ 3.06Å; E153-K265 PolarHBondContact OE2-NZ 2.79Å
154S97.4Very high97.7Very high57 Ų5737.3 Ų37.340%0.39918%0.179SC..  trans-69.6148.8175.6-57.20000111.4L236 V237 E238 K265S154-L236 CarbonylContact C-O 3.54Å; S154-L236 WeakPolarHBondContact CA-O 3.35Å; S154-V237 WeakPolarHBondContact OG-CA 3.44Å; S154-E238 PolarHBondContact OG-N 2.77Å; S154-K265 WeakPolarHBondContact O-CE 2.98Å; S154-K265 PolarHBondContact O-NZ 3Å
155G97.1Very high97.6Very high2 Ų236 Ų362%0.02117%0.174CC..EExtended strand (participates in β ladder)trans158.8-172172.900000114.4Y157 N235 L236 G267G155-Y157 WeakPolarHBondContact O-CD2 3.35Å; G155-N235 PolarHBondContact O-OD1 3.46Å; G155-L236 PolarHBondContact N-O 2.98Å; G155-L236 PolarHBondContact O-N 3.29Å; G155-G267 WeakPolarHBondContact CA-O 3.38Å
156L97.8Very high97.4Very high60 Ų6034.4 Ų34.431%0.31416%0.16SC..EExtended strand (participates in β ladder)trans-85122.1172.2-70.4167.9000109.7V233 N235 K265 W266 G267L156-V233 HydrophobicContact CB-CG1 4.26Å; L156-V233 HydrophobicContact CD2-CG1 4.22Å; L156-N235 HydrophobicContact CD2-CB 3.87Å; L156-K265 CarbonylContact O-C 3.57Å; L156-W266 PolarHBondContact O-N 2.88Å; L156-G267 PolarHBondContact N-O 3.04Å; L156-G267 PolarHBondContact O-N 2.81Å
157Y98.3Very high97.3Very high0 Ų030.6 Ų30.60%014%0.139CC..EExtended strand (participates in β ladder)trans-113.2131.2179.5-76.3-100.2000110.7P108 M142 V151 E153 G155 V159 V233 V234 L236 A263 V264 K265P108-Y157 HydrophobicContact CB-CE1 4.13Å; M142-Y157 HydrophobicContact CE-CD1 4.36Å; M142-Y157 HydrophobicContact CE-CE1 3.98Å; M142-Y157 HydrophobicContact SD-CE1 4.08Å; V151-Y157 HydrophobicContact CG1-CE2 3.93Å; E153-Y157 WeakPolarHBondContact O-CE2 3.24Å; E153-Y157 PolarHBondContact O-OH 2.99Å; G155-Y157 WeakPolarHBondContact O-CD2 3.35Å; Y157-V159 PolarHBondContact O-N 2.83Å; Y157-V233 CarbonylContact O-C 3.6Å; Y157-V233 VanDerWaalsContact O-CA 3.27Å; Y157-V233 WeakPolarHBondContact O-CA 3.41Å; Y157-V234 PolarHBondContact N-O 3.39Å; Y157-V234 PolarHBondContact O-N 3.08Å; Y157-L236 HydrophobicContact CD2-CB 3.89Å; Y157-L236 HydrophobicContact CD2-CD1 3.86Å; Y157-L236 HydrophobicContact CD2-CG 4.15Å; Y157-L236 HydrophobicContact CE2-CB 4.29Å; Y157-L236 HydrophobicContact CG-CD1 3.84Å; Y157-A263 HydrophobicContact CD1-CB 4.21Å; Y157-V264 CarbonylContact C-O 3.58Å; Y157-V264 WeakPolarHBondContact CA-O 3.49Å; Y157-K265 HydrophobicContact CD1-CB 4.04Å; Y157-K265 HydrophobicContact CE1-CB 3.65Å; Y157-K265 HydrophobicContact CE1-CG 4.45Å; Y157-K265 HydrophobicContact CE2-CB 4.33Å; Y157-K265 HydrophobicContact CE2-CD 4.35Å; Y157-K265 HydrophobicContact CE2-CG 4.27Å
158Y98.2Very high96.8Very high90 Ų9036.9 Ų36.935%0.35316%0.164SC..EExtended strand (participates in β ladder)trans-82.3108.7162.7178.4-101.9000108.5Y160 S231 V233 A263 V264Y158-Y160 AromaticContact CD1-CD1 3.94Å; Y158-Y160 HydrophobicContact CD1-CD1 3.94Å; Y158-Y160 AromaticContact CE1-CD1 3.89Å; Y158-Y160 HydrophobicContact CE1-CD1 3.89Å; Y158-Y160 HydrophobicContact CE1-CG 4.25Å; Y158-S231 WeakPolarHBondContact CE2-OG 3.42Å; Y158-S231 VanDerWaalsContact CZ-CB 3.44Å; Y158-S231 WeakPolarHBondContact OH-CB 3.28Å; Y158-S231 PolarHBondContact OH-OG 3.03Å; Y158-V233 HydrophobicContact CD2-CG2 4.01Å; Y158-A263 CarbonylContact O-C 3.58Å; Y158-A263 VanDerWaalsContact O-CA 3.27Å; Y158-A263 WeakPolarHBondContact O-CA 3.47Å; Y158-V264 PolarHBondContact N-O 2.89Å; Y158-V264 PolarHBondContact O-N 2.77Å
159V98.5Very high95.9Very high1 Ų139.5 Ų39.51%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-101.9132.9-179.1-178.80000108.6Y157 V195 M210 S231 R232 V234 L242 F261 A263Y157-V159 PolarHBondContact O-N 2.83Å; V159-V195 HydrophobicContact CG1-CG1 4.28Å; V159-M210 HydrophobicContact CB-CE 4.3Å; V159-M210 HydrophobicContact CG1-CE 3.98Å; V159-S231 CarbonylContact O-C 3.57Å; V159-S231 WeakPolarHBondContact O-CA 3.06Å; V159-S231 WeakPolarHBondContact O-CB 3.32Å; V159-R232 PolarHBondContact N-O 3.01Å; V159-R232 PolarHBondContact O-N 3.09Å; V159-V234 HydrophobicContact CB-CG1 4.47Å; V159-V234 HydrophobicContact CG2-CG1 3.54Å; V159-L242 HydrophobicContact CG1-CD1 4.11Å; V159-L242 HydrophobicContact CG2-CD1 3.63Å; V159-F261 HydrophobicContact CG1-CE2 3.69Å; V159-F261 HydrophobicContact CG1-CZ 4.37Å; V159-A263 HydrophobicContact CG2-CB 4.07Å
160Y98.6Very high94.1Very high48 Ų4844.8 Ų44.819%0.18821%0.205CC..EExtended strand (participates in β ladder)trans-139.8150.9-178.864.1-86000111A110 H111 Y158 Q230 Y260 F261 G262 V264A110-Y160 PolarHBondContact O-OH 2.83Å; H111-Y160 WeakPolarHBondContact CB-OH 3.46Å; H111-Y160 AromaticContact ND1-CE2 3.65Å; H111-Y160 AromaticContact ND1-CZ 3.74Å; H111-Y160 PolarHBondContact ND1-OH 3.05Å; Y158-Y160 AromaticContact CD1-CD1 3.94Å; Y158-Y160 HydrophobicContact CD1-CD1 3.94Å; Y158-Y160 AromaticContact CE1-CD1 3.89Å; Y158-Y160 HydrophobicContact CE1-CD1 3.89Å; Y158-Y160 HydrophobicContact CE1-CG 4.25Å; Y160-Q230 WeakPolarHBondContact CA-O 3.25Å; Y160-Y260 HydrophobicContact CD2-CD2 4.35Å; Y160-Y260 HydrophobicContact CD2-CE2 4.13Å; Y160-Y260 HydrophobicContact CE2-CD2 4.08Å; Y160-Y260 HydrophobicContact CE2-CE2 4.09Å; Y160-F261 VanDerWaalsContact O-CD2 3.31Å; Y160-F261 WeakPolarHBondContact O-CD2 3.45Å; Y160-G262 PolarHBondContact N-O 2.7Å; Y160-G262 PolarHBondContact O-N 3.07Å; Y160-G262 VanDerWaalsContact O-O 3.1Å; Y160-V264 HydrophobicContact CE1-CG2 4.45Å
161V98.6Very high92.1Very high1 Ų146.1 Ų46.11%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-150.5143.5179.8600000109.7T163 Q193 V195 Q229 Q230 V244 F261V161-T163 HydrophobicContact CG2-CG2 4.36Å; V161-Q193 HydrophobicContact CG1-CG 4.47Å; V161-V195 HydrophobicContact CB-CG2 4.27Å; V161-V195 HydrophobicContact CG1-CG2 3.46Å; V161-V195 VanDerWaalsContact CG1-CG2 3.46Å; V161-Q229 WeakPolarHBondContact O-CA 3.18Å; V161-Q229 WeakPolarHBondContact O-CG 3.3Å; V161-Q230 HydrophobicContact CG1-CG 3.68Å; V161-Q230 PolarHBondContact N-O 2.96Å; V161-Q230 PolarHBondContact O-N 3.07Å; V161-Q230 VanDerWaalsContact O-N 3.14Å; V161-V244 HydrophobicContact CG2-CG1 4.09Å; V161-V244 HydrophobicContact CG2-CG2 3.99Å; V161-F261 HydrophobicContact CB-CD2 4.04Å; V161-F261 HydrophobicContact CG2-CB 4.24Å; V161-F261 HydrophobicContact CG2-CD2 4.31Å
162K98.4Very high89.4Confident46 Ų4647.8 Ų47.820%0.225%0.247CC..EExtended strand (participates in β ladder)trans-130.7132.1168.6-174-170.9171.1-164.90108A228 Q229 E257 G258 T259 Y260K162-A228 WeakPolarHBondContact CA-O 3.48Å; K162-Q229 HydrophobicContact CB-CB 4.41Å; K162-Q229 HydrophobicContact CB-CG 4.26Å; K162-Q229 HydrophobicContact CG-CB 4.29Å; K162-E257 PolarHBondContact NZ-O 3.19Å; K162-G258 WeakPolarHBondContact CD-O 3.46Å; K162-G258 WeakPolarHBondContact CE-O 3.4Å; K162-G258 WeakPolarHBondContact CG-O 3.4Å; K162-T259 CarbonylContact O-C 3.55Å; K162-T259 WeakPolarHBondContact O-CA 3.39Å; K162-Y260 HydrophobicContact CB-CD1 4.4Å; K162-Y260 HydrophobicContact CB-CD2 4.14Å; K162-Y260 HydrophobicContact CB-CE1 4.02Å; K162-Y260 HydrophobicContact CB-CE2 3.7Å; K162-Y260 HydrophobicContact CB-CG 4.47Å; K162-Y260 HydrophobicContact CD-CD1 4.43Å; K162-Y260 HydrophobicContact CD-CE1 3.57Å; K162-Y260 WeakPolarHBondContact CD-OH 3.38Å; K162-Y260 HydrophobicContact CG-CE1 4.42Å; K162-Y260 PolarHBondContact N-O 3.15Å; K162-Y260 PolarHBondContact O-N 3.14Å
163T98.3Very high86.9Confident0 Ų048 Ų480%027%0.265CS..EExtended strand (participates in β ladder)trans-130.9128.7171.254.50000108.3I130 V161 Q193 C227 A228 V246 L252 T259I130-T163 HydrophobicContact CD1-CG2 3.79Å; V161-T163 HydrophobicContact CG2-CG2 4.36Å; T163-Q193 HydrophobicContact CG2-CG 4.09Å; T163-Q193 PolarHBondContact OG1-NE2 2.91Å; T163-C227 WeakPolarHBondContact O-CA 3.49Å; T163-A228 PolarHBondContact N-O 2.04Å; T163-A228 PolarHBondContact O-N 3.04Å; T163-V246 HydrophobicContact CG2-CG1 3.99Å; T163-L252 HydrophobicContact CG2-CD1 4.14Å; T163-T259 HydrophobicContact CG2-CG2 3.97Å
164C97.9Very high84.5Confident2 Ų252.6 Ų52.61%0.01429%0.292CS..EExtended strand (participates in β ladder)trans-103.6142.7169.7-68.10000109.7M225 Y226 C227 D253 G258 T259C164-M225 HydrophobicContact CB-CE 3.78Å; C164-M225 HydrophobicContact CB-SD 4.04Å; C164-Y226 CarbonylContact C-O 3.55Å; C164-Y226 WeakPolarHBondContact CA-O 3.45Å; C164-C227 HydrophobicContact CB-CB 4.15Å; C164-C227 WeakPolarHBondContact CB-SG 3.45Å; C164-C227 WeakPolarHBondContact SG-CB 3.42Å; C164-C227 CovalentContact SG-SG 2.04Å; C164-C227 PolarHBondContact SG-SG 2.83Å; C164-D253 HydrophobicContact CB-CB 3.92Å; C164-D253 WeakPolarHBondContact O-CB 3.5Å; C164-D253 PolarHBondContact O-N 2.94Å; C164-G258 PolarHBondContact N-O 2.92Å; C164-G258 PolarHBondContact SG-O 3.32Å; C164-T259 PolarHBondContact N-OG1 3.09Å
165F95.9Very high82.1Confident0 Ų056.7 Ų56.70%031%0.305CS..EExtended strand (participates in β ladder)trans-116.9126.2174.5-61-92.5000107.9L191 W218 M225 Y226 V246 S247 L251 L252F165-L191 HydrophobicContact CB-CD1 4Å; F165-L191 HydrophobicContact CB-CD2 4.13Å; F165-L191 HydrophobicContact CD1-CB 4.48Å; F165-L191 HydrophobicContact CD1-CD2 3.81Å; F165-L191 HydrophobicContact CD2-CB 3.91Å; F165-L191 HydrophobicContact CE1-CD2 4.33Å; F165-L191 HydrophobicContact CE2-CB 4.02Å; F165-L191 HydrophobicContact CG-CB 4.14Å; F165-L191 HydrophobicContact CG-CD1 4.28Å; F165-L191 HydrophobicContact CG-CD2 3.93Å; F165-L191 HydrophobicContact CG-CG 4.33Å; F165-L191 HydrophobicContact CZ-CB 4.34Å; F165-W218 HydrophobicContact CB-CH2 3.89Å; F165-W218 WeakPolarHBondContact O-CH2 3.12Å; F165-M225 CarbonylContact O-C 3.33Å; F165-M225 VanDerWaalsContact O-CA 3.29Å; F165-M225 WeakPolarHBondContact O-CA 3.36Å; F165-Y226 AromaticContact CD2-CD1 3.88Å; F165-Y226 HydrophobicContact CD2-CD1 3.88Å; F165-Y226 HydrophobicContact CD2-CE1 4.44Å; F165-Y226 HydrophobicContact CE2-CD1 4.45Å; F165-Y226 PolarHBondContact N-O 2.97Å; F165-Y226 PolarHBondContact O-N 3.5Å; F165-V246 HydrophobicContact CE1-CB 4.15Å; F165-V246 HydrophobicContact CZ-CB 3.98Å; F165-V246 HydrophobicContact CZ-CG1 3.95Å; F165-S247 WeakPolarHBondContact CE1-O 3.39Å; F165-L251 CarbonylContact C-O 3.56Å; F165-L251 WeakPolarHBondContact CA-O 3.07Å; F165-L251 HydrophobicContact CB-CB 4.37Å; F165-L251 HydrophobicContact CD1-CB 4.17Å; F165-L252 HydrophobicContact CD1-CD1 4.37Å; F165-L252 HydrophobicContact CE1-CD1 4.12Å; F165-L252 HydrophobicContact CZ-CD1 4.42Å
166R93.7Very high79.6Confident65 Ų6559.7 Ų59.725%0.24534%0.335CS..EExtended strand (participates in β ladder)trans-127.3129.4-173.3-168.2165.367.5172-12.9109.6Y168 Y223 N224 M225 L251 D253 E255R166-Y168 HydrophobicContact CG-CD1 4.39Å; R166-Y223 HydrophobicContact CG-CD2 4.46Å; R166-Y223 HydrophobicContact CG-CE2 3.53Å; R166-N224 WeakPolarHBondContact CA-O 3.35Å; R166-M225 HydrophobicContact CB-CE 4.45Å; R166-M225 HydrophobicContact CB-SD 3.73Å; R166-M225 HydrophobicContact CG-SD 4.08Å; R166-L251 PolarHBondContact N-O 2.92Å; R166-D253 HydrophobicContact CB-CB 4.16Å; R166-D253 IonicContact CZ-OD1 3.8Å; R166-D253 IonicContact CZ-OD2 3.15Å; R166-D253 IonicContact NE-OD1 3.59Å; R166-D253 PolarHBondContact NE-OD1 3.23Å; R166-D253 IonicContact NE-OD2 3.92Å; R166-D253 IonicContact NH1-OD1 2.75Å; R166-D253 IonicContact NH1-OD2 4Å; R166-D253 IonicContact NH2-OD1 3.32Å; R166-D253 PolarHBondContact NH2-OD1 3.29Å; R166-D253 IonicContact NH2-OD2 2.69Å; R166-E255 IonicContact CZ-OE1 3.43Å; R166-E255 IonicContact NH1-OE1 2.79Å; R166-E255 PolarHBondContact NH1-OE1 3.1Å; R166-E255 IonicContact NH2-OE1 2.71Å; R166-E255 PolarHBondContact NH2-OE1 3.03Å; R166-E255 VanDerWaalsContact NH2-OE1 3.15Å
167Y91.8Very high77Confident15 Ų1568.6 Ų68.66%0.05936%0.364CS..EExtended strand (participates in β ladder)trans-123.6134.2170177.5-97.4000108.9N169 V186 N220 Y223 N224 W250 L251Y167-N169 HydrophobicContact CE1-CB 4.23Å; Y167-V186 HydrophobicContact CD1-CG2 3.88Å; Y167-V186 HydrophobicContact CD2-CG1 3.79Å; Y167-V186 HydrophobicContact CD2-CG2 4.2Å; Y167-V186 HydrophobicContact CE1-CG2 3.88Å; Y167-V186 HydrophobicContact CE2-CG1 3.91Å; Y167-V186 HydrophobicContact CE2-CG2 4.18Å; Y167-V186 HydrophobicContact CG-CG1 4.29Å; Y167-V186 HydrophobicContact CG-CG2 4.02Å; Y167-N220 PolarHBondContact OH-O 3.07Å; Y167-Y223 CarbonylContact O-C 3.48Å; Y167-Y223 VanDerWaalsContact O-CA 3.31Å; Y167-Y223 WeakPolarHBondContact O-CA 3.47Å; Y167-N224 PolarHBondContact N-O 2.89Å; Y167-N224 PolarHBondContact O-N 3.2Å; Y167-W250 HydrophobicContact CD2-CH2 4.37Å; Y167-W250 HydrophobicContact CD2-CZ3 4.23Å; Y167-W250 HydrophobicContact CE2-CH2 4.49Å; Y167-W250 HydrophobicContact CE2-CZ3 4.45Å; Y167-L251 HydrophobicContact CD2-CD2 3.8Å; Y167-L251 HydrophobicContact CG-CD2 4.3Å
168Y86.5Confident74.4Confident132 Ų13276.9 Ų76.952%0.51840%0.403SS..  trans-144.9133.1168.959-74.9000108.5R166 I170R166-Y168 HydrophobicContact CG-CD1 4.39Å; Y168-I170 HydrophobicContact CD2-CD1 4.06Å; Y168-I170 HydrophobicContact CD2-CG1 3.41Å; Y168-I170 VanDerWaalsContact CD2-CG1 3.41Å; Y168-I170 HydrophobicContact CE2-CD1 3.36Å; Y168-I170 HydrophobicContact CE2-CG1 3.28Å; Y168-I170 PolarHBondContact O-N 2.93Å
169N78.5Confident71.9Confident71 Ų7176.9 Ų76.938%0.3842%0.422SS..  trans-87.5101.8175.7-171.1-14.7000107.7Y167 G171 N220Y167-N169 HydrophobicContact CE1-CB 4.23Å; N169-G171 PolarHBondContact O-N 3.28Å; N169-N220 PolarHBondContact ND2-O 3.43Å
170I61.3Low69.3Low110 Ų11088.6 Ų88.656%0.56447%0.466SS*.  trans-74.885.2170.7-49.2175.8000107.2Y168 G172Y168-I170 HydrophobicContact CD2-CD1 4.06Å; Y168-I170 HydrophobicContact CD2-CG1 3.41Å; Y168-I170 VanDerWaalsContact CD2-CG1 3.41Å; Y168-I170 HydrophobicContact CE2-CD1 3.36Å; Y168-I170 HydrophobicContact CE2-CG1 3.28Å; Y168-I170 PolarHBondContact O-N 2.93Å; I170-G172 PolarHBondContact O-N 2.77Å
171G55.2Low67.3Low73 Ų7391.6 Ų91.675%0.75349%0.49SS*.  trans-73.674.5163.300000109.8N169N169-G171 PolarHBondContact O-N 3.28Å
172G41.4Very low65.5Low36 Ų36102.2 Ų102.237%0.37153%0.53SS..  trans-82.3141.6175.400000111.8I170 D174I170-G172 PolarHBondContact O-N 2.77Å; G172-D174 PolarHBondContact O-N 2.91Å; G172-D174 VanDerWaalsContact O-N 3.13Å
173P44.5Very low64.1Low135 Ų135103.7 Ų103.788%0.87754%0.544SS*.THydrogen-bonded Turntrans-64.1-11.3175.8-18.430.7000114.9
174D45.8Very low63Low160 Ų160104.7 Ų104.786%0.85655%0.55SS**THydrogen-bonded Turntrans-11519.6-167.8-90-24.4000115.4G172 G176G172-D174 PolarHBondContact O-N 2.91Å; G172-D174 VanDerWaalsContact O-N 3.13Å; D174-G176 PolarHBondContact O-N 3.33Å; D174-G176 VanDerWaalsContact O-N 3.14Å
175E47.8Very low62.3Low144 Ų144109.6 Ų109.667%0.67358%0.577SS**  trans-86.345.4163.9-69.6-163.8177.100112.1R177E175-R177 PolarHBondContact O-N 2.83Å
176G44.7Very low62Low64 Ų64109.7 Ų109.766%0.6658%0.577SS**THydrogen-bonded Turntrans-73.778161.100000110.1D174D174-G176 PolarHBondContact O-N 3.33Å; D174-G176 VanDerWaalsContact O-N 3.14Å
177R44.1Very low61.7Low247 Ų247108.5 Ų108.593%0.93258%0.579SS**THydrogen-bonded Turntrans169.5-0.8146-90.8155.7-166.5-125.94117E175E175-R177 PolarHBondContact O-N 2.83Å
178E43.5Very low61.6Low174 Ų174115.6 Ų115.681%0.81361%0.61SS**  trans-123.823.8171.4-79.4-169.6158.400114.7R180E178-R180 PolarHBondContact O-N 2.85Å
179A44.4Very low61.8Low91 Ų91109.6 Ų109.675%0.75259%0.588SS**THydrogen-bonded Turntrans-70.570.6170.300000112.4
180R44.6Very low62.5Low246 Ų246111.7 Ų111.793%0.92860%0.596SS**THydrogen-bonded Turntrans-131.7-4.2162.2-72.7-160.1176.8-156.70.9114.7E178E178-R180 PolarHBondContact O-N 2.85Å
181T55.6Low64.1Low112 Ų112106.5 Ų106.569%0.68757%0.569SS**SBendtrans-111.4112.7178.7-420000109.3
182R62.3Low66.1Low223 Ų223104 Ų10484%0.84254%0.538SS*.PPolyproline II helixtrans-51.7138.5169.8-69.4-179.8-178169.20.4108.9
183P67.6Low68.8Low77 Ų77102.3 Ų102.350%0.552%0.521SS..PPolyproline II helixtrans-53.5144.4176.819.6-29.7000110D185P183-D185 PolarHBondContact O-N 2.88Å
184P75.8Confident71.4Confident21 Ų2197.5 Ų97.514%0.13649%0.485CS..PPolyproline II helixtrans-58135.4179-15.326.6000109.7K122 V186 W250K122-P184 HydrophobicContact CD-CG 4.1Å; P184-V186 PolarHBondContact O-N 2.83Å; P184-W250 HydrophobicContact CB-CH2 3.57Å; P184-W250 HydrophobicContact CB-CZ2 4Å; P184-W250 HydrophobicContact CB-CZ3 4.18Å; P184-W250 HydrophobicContact CG-CH2 3.94Å; P184-W250 HydrophobicContact CG-CZ3 4.03Å
185D84.3Confident73.9Confident106 Ų10689.9 Ų89.957%0.56744%0.444SS*.  trans-73.6115.7176.3-177.918000109.8P183 S187 N220P183-D185 PolarHBondContact O-N 2.88Å; D185-S187 VanDerWaalsContact CG-OG 3.27Å; D185-S187 WeakPolarHBondContact OD1-CB 3.31Å; D185-S187 PolarHBondContact OD1-N 3.02Å; D185-S187 PolarHBondContact OD1-OG 3.22Å; D185-S187 PolarHBondContact OD2-OG 2.96Å; D185-S187 VanDerWaalsContact OD2-OG 3.08Å; D185-N220 PolarHBondContact OD1-ND2 2.87Å
186V87.9Confident76.3Confident1 Ų184.6 Ų84.61%0.00642%0.418CS..  trans-105.37.5176.2-62.50000112.7Y167 P184 K188 A189 W218 N220 W250 L251Y167-V186 HydrophobicContact CD1-CG2 3.88Å; Y167-V186 HydrophobicContact CD2-CG1 3.79Å; Y167-V186 HydrophobicContact CD2-CG2 4.2Å; Y167-V186 HydrophobicContact CE1-CG2 3.88Å; Y167-V186 HydrophobicContact CE2-CG1 3.91Å; Y167-V186 HydrophobicContact CE2-CG2 4.18Å; Y167-V186 HydrophobicContact CG-CG1 4.29Å; Y167-V186 HydrophobicContact CG-CG2 4.02Å; P184-V186 PolarHBondContact O-N 2.83Å; V186-K188 PolarHBondContact O-N 2.82Å; V186-A189 HydrophobicContact CB-CB 4.47Å; V186-A189 PolarHBondContact O-N 3.03Å; V186-W218 HydrophobicContact CB-CB 4.32Å; V186-W218 HydrophobicContact CB-CE3 4.16Å; V186-W218 HydrophobicContact CG2-CB 3.9Å; V186-W218 HydrophobicContact CG2-CE3 4.33Å; V186-W218 WeakPolarHBondContact O-CB 3.33Å; V186-N220 WeakPolarHBondContact CG2-OD1 3.32Å; V186-N220 PolarHBondContact N-OD1 3Å; V186-W250 HydrophobicContact CG1-CH2 3.39Å; V186-W250 HydrophobicContact CG1-CZ2 3.9Å; V186-W250 HydrophobicContact CG1-CZ3 4.45Å; V186-L251 HydrophobicContact CG1-CD1 4.25Å; V186-L251 HydrophobicContact CG1-CD2 4.29Å
187S87.5Confident78.8Confident41 Ų4182.3 Ų82.329%0.28739%0.391SS..THydrogen-bonded Turntrans-58.2-20.9-176.266.40000114.7D185 Q217 W218 N220D185-S187 VanDerWaalsContact CG-OG 3.27Å; D185-S187 WeakPolarHBondContact OD1-CB 3.31Å; D185-S187 PolarHBondContact OD1-N 3.02Å; D185-S187 PolarHBondContact OD1-OG 3.22Å; D185-S187 PolarHBondContact OD2-OG 2.96Å; D185-S187 VanDerWaalsContact OD2-OG 3.08Å; S187-Q217 VanDerWaalsContact O-CA 3.31Å; S187-Q217 WeakPolarHBondContact O-CA 3.27Å; S187-W218 WeakPolarHBondContact CA-O 3.42Å; S187-N220 PolarHBondContact N-OD1 2.86Å
188K89.5Confident81.3Confident163 Ų16373.7 Ų73.771%0.70936%0.36SS*.THydrogen-bonded Turntrans-136.949.6175.7-63.2-179.1-176.4173.30111.4V186 Q190 K216V186-K188 PolarHBondContact O-N 2.82Å; K188-Q190 PolarHBondContact O-N 3.17Å; K188-K216 CarbonylContact C-O 3.52Å; K188-K216 WeakPolarHBondContact CA-O 3.09Å
189A90.9Very high83.7Confident7 Ų766 Ų666%0.05833%0.325CS..EExtended strand (participates in β ladder)trans-65.8122.3-178.200000111.6V186 L191 T215 K216 W218 L251V186-A189 HydrophobicContact CB-CB 4.47Å; V186-A189 PolarHBondContact O-N 3.03Å; A189-L191 HydrophobicContact CB-CD1 4.46Å; A189-L191 HydrophobicContact CB-CD2 4.01Å; A189-L191 HydrophobicContact CB-CG 4.14Å; A189-T215 CarbonylContact O-C 3.53Å; A189-T215 WeakPolarHBondContact O-CA 3.42Å; A189-K216 PolarHBondContact N-O 3.33Å; A189-K216 VanDerWaalsContact N-O 3.09Å; A189-K216 PolarHBondContact O-N 2.86Å; A189-W218 HydrophobicContact CB-CE3 4.28Å; A189-L251 HydrophobicContact CB-CD1 4.27Å
190Q93.9Very high86Confident115 Ų11565.6 Ų65.654%0.53731%0.309SS..EExtended strand (participates in β ladder)trans-90.5110.7170.7-67.1-173.5-5.900109.5K188 T215 S247 N248K188-Q190 PolarHBondContact O-N 3.17Å; Q190-T215 HydrophobicContact CG-CG2 4.19Å; Q190-S247 PolarHBondContact O-OG 3.32Å; Q190-N248 PolarHBondContact O-ND2 2.75Å
191L95.6Very high88.3Confident0 Ų061.8 Ų61.80%030%0.3CS..EExtended strand (participates in β ladder)trans-116.890.7-172.2-53.7175.7000108.1F165 A189 G213 S214 K216 W218 Y226 N248 L251F165-L191 HydrophobicContact CB-CD1 4Å; F165-L191 HydrophobicContact CB-CD2 4.13Å; F165-L191 HydrophobicContact CD1-CB 4.48Å; F165-L191 HydrophobicContact CD1-CD2 3.81Å; F165-L191 HydrophobicContact CD2-CB 3.91Å; F165-L191 HydrophobicContact CE1-CD2 4.33Å; F165-L191 HydrophobicContact CE2-CB 4.02Å; F165-L191 HydrophobicContact CG-CB 4.14Å; F165-L191 HydrophobicContact CG-CD1 4.28Å; F165-L191 HydrophobicContact CG-CD2 3.93Å; F165-L191 HydrophobicContact CG-CG 4.33Å; F165-L191 HydrophobicContact CZ-CB 4.34Å; A189-L191 HydrophobicContact CB-CD1 4.46Å; A189-L191 HydrophobicContact CB-CD2 4.01Å; A189-L191 HydrophobicContact CB-CG 4.14Å; L191-G213 CarbonylContact O-C 3.56Å; L191-G213 WeakPolarHBondContact O-CA 3.25Å; L191-S214 PolarHBondContact N-O 2.82Å; L191-S214 PolarHBondContact O-N 3.02Å; L191-K216 HydrophobicContact CD1-CB 4.28Å; L191-K216 HydrophobicContact CD1-CG 3.82Å; L191-W218 HydrophobicContact CD1-CH2 3.36Å; L191-W218 HydrophobicContact CD1-CZ2 3.25Å; L191-W218 HydrophobicContact CD1-CZ3 4.07Å; L191-W218 HydrophobicContact CD2-CH2 4.49Å; L191-Y226 HydrophobicContact CB-CD1 3.63Å; L191-Y226 HydrophobicContact CB-CE1 3.86Å; L191-Y226 HydrophobicContact CD1-CD1 3.67Å; L191-Y226 HydrophobicContact CD1-CG 4.16Å; L191-Y226 HydrophobicContact CG-CD1 4.32Å; L191-N248 HydrophobicContact CD2-CB 4.22Å; L191-L251 HydrophobicContact CD2-CD1 3.81Å
192I97.3Very high90Very high22 Ų2261.3 Ų61.311%0.11329%0.29CS..EExtended strand (participates in β ladder)trans-124.2132.8-169.4-43.5-63.9000109.3Y194 K211 T212 V246 S247I192-Y194 HydrophobicContact CB-CD2 4.44Å; I192-Y194 HydrophobicContact CB-CE2 3.65Å; I192-Y194 HydrophobicContact CG2-CD2 3.94Å; I192-Y194 HydrophobicContact CG2-CE1 4.32Å; I192-Y194 HydrophobicContact CG2-CE2 3.24Å; I192-Y194 VanDerWaalsContact CG2-CZ 3.46Å; I192-K211 HydrophobicContact CG2-CD 4.46Å; I192-K211 HydrophobicContact CG2-CG 4.02Å; I192-T212 WeakPolarHBondContact CG2-O 3.26Å; I192-V246 VanDerWaalsContact O-CA 3.26Å; I192-V246 WeakPolarHBondContact O-CA 3.49Å; I192-S247 PolarHBondContact N-OG 2.86Å; I192-S247 PolarHBondContact O-N 3.22Å
193Q98.1Very high91.4Very high0 Ų058 Ų580%029%0.289CS..EExtended strand (participates in β ladder)trans-112.4132177.9-179.1-160.777.300109.5V161 T163 K211 T212 A228 V244 V246V161-Q193 HydrophobicContact CG1-CG 4.47Å; T163-Q193 HydrophobicContact CG2-CG 4.09Å; T163-Q193 PolarHBondContact OG1-NE2 2.91Å; Q193-K211 WeakPolarHBondContact O-CA 3.4Å; Q193-T212 HydrophobicContact CB-CG2 4.15Å; Q193-T212 PolarHBondContact N-O 2.77Å; Q193-T212 PolarHBondContact O-N 2.7Å; Q193-A228 PolarHBondContact NE2-O 3.24Å; Q193-V244 HydrophobicContact CG-CG1 4.09Å; Q193-V246 HydrophobicContact CB-CG1 4.29Å; Q193-V246 HydrophobicContact CG-CG1 4.33Å
194Y98.2Very high92.4Very high34 Ų3457.3 Ų57.313%0.13329%0.286CS..EExtended strand (participates in β ladder)trans-125.2133.9179.6-59.1-107000109.2M127 I192 Y196 L208 K211 V244 E245M127-Y194 HydrophobicContact CE-CD2 3.08Å; M127-Y194 HydrophobicContact CE-CE2 3.18Å; M127-Y194 HydrophobicContact CE-CG 4.08Å; M127-Y194 HydrophobicContact SD-CD2 4.03Å; M127-Y194 HydrophobicContact SD-CE2 3.47Å; M127-Y194 WeakPolarHBondContact SD-CE2 3.42Å; I192-Y194 HydrophobicContact CB-CD2 4.44Å; I192-Y194 HydrophobicContact CB-CE2 3.65Å; I192-Y194 HydrophobicContact CG2-CD2 3.94Å; I192-Y194 HydrophobicContact CG2-CE1 4.32Å; I192-Y194 HydrophobicContact CG2-CE2 3.24Å; I192-Y194 VanDerWaalsContact CG2-CZ 3.46Å; Y194-Y196 HydrophobicContact CD1-CE2 4.41Å; Y194-Y196 HydrophobicContact CG-CE2 4.11Å; Y194-L208 HydrophobicContact CD1-CD1 3.82Å; Y194-L208 HydrophobicContact CG-CD1 4.43Å; Y194-K211 HydrophobicContact CD1-CB 4.19Å; Y194-K211 HydrophobicContact CD1-CD 3.93Å; Y194-K211 HydrophobicContact CD1-CG 3.79Å; Y194-K211 HydrophobicContact CE1-CB 4.5Å; Y194-K211 HydrophobicContact CE1-CD 3.39Å; Y194-K211 HydrophobicContact CE1-CG 3.69Å; Y194-K211 HydrophobicContact CG-CG 4.43Å; Y194-K211 VanDerWaalsContact CZ-CE 3.47Å; Y194-K211 VanDerWaalsContact OH-CE 3.24Å; Y194-K211 WeakPolarHBondContact OH-CE 3.22Å; Y194-K211 PolarHBondContact OH-NZ 3.3Å; Y194-V244 CarbonylContact O-C 3.59Å; Y194-V244 VanDerWaalsContact O-CA 3.3Å; Y194-V244 WeakPolarHBondContact O-CA 3.36Å; Y194-V244 WeakPolarHBondContact O-CG1 3.09Å; Y194-E245 PolarHBondContact N-O 3.02Å; Y194-E245 PolarHBondContact O-N 2.8Å
195V98.4Very high93.3Very high0 Ų064.2 Ų64.20%031%0.309CS..EExtended strand (participates in β ladder)trans-110.8122.5170.9-174.80000108.2V159 V161 L209 M210 V244V159-V195 HydrophobicContact CG1-CG1 4.28Å; V161-V195 HydrophobicContact CB-CG2 4.27Å; V161-V195 HydrophobicContact CG1-CG2 3.46Å; V161-V195 VanDerWaalsContact CG1-CG2 3.46Å; V195-L209 WeakPolarHBondContact O-CB 3.15Å; V195-L209 PolarHBondContact O-N 2.79Å; V195-M210 HydrophobicContact CB-CB 4.25Å; V195-M210 HydrophobicContact CB-CE 3.76Å; V195-M210 HydrophobicContact CG1-CE 3.77Å; V195-M210 HydrophobicContact CG2-CB 4.48Å; V195-M210 HydrophobicContact CG2-CE 3.79Å; V195-M210 PolarHBondContact N-O 2.68Å; V195-M210 PolarHBondContact O-N 2.89Å; V195-V244 HydrophobicContact CG2-CG2 4.37Å
196Y98.2Very high93.8Very high32 Ų3263.5 Ų63.513%0.12530%0.301CS..EExtended strand (participates in β ladder)trans-114158.1-178.5-69.9-80.2000111.4Y194 K206 V207 L208 L242 F243 E245Y194-Y196 HydrophobicContact CD1-CE2 4.41Å; Y194-Y196 HydrophobicContact CG-CE2 4.11Å; Y196-K206 HydrophobicContact CD1-CD 4.08Å; Y196-K206 HydrophobicContact CD1-CG 3.63Å; Y196-K206 HydrophobicContact CE1-CD 4.29Å; Y196-K206 HydrophobicContact CE1-CG 4.17Å; Y196-K206 HydrophobicContact CG-CD 4.37Å; Y196-K206 VanDerWaalsContact CG-CE 3.43Å; Y196-K206 HydrophobicContact CG-CG 4.12Å; Y196-V207 CarbonylContact C-O 3.55Å; Y196-V207 WeakPolarHBondContact CA-O 3.47Å; Y196-L208 HydrophobicContact CD1-CB 4.04Å; Y196-L208 HydrophobicContact CD1-CD1 4.02Å; Y196-L208 HydrophobicContact CE1-CB 3.77Å; Y196-L208 HydrophobicContact CE1-CD1 3.62Å; Y196-L208 HydrophobicContact CE1-CG 4.27Å; Y196-L208 HydrophobicContact CE2-CD1 4.4Å; Y196-L242 WeakPolarHBondContact O-CA 3.44Å; Y196-F243 HydrophobicContact CD2-CD2 4.37Å; Y196-F243 AromaticContact CD2-CE2 3.78Å; Y196-F243 HydrophobicContact CD2-CE2 3.78Å; Y196-F243 HydrophobicContact CD2-CZ 4.13Å; Y196-F243 HydrophobicContact CG-CE1 4.38Å; Y196-F243 AromaticContact CG-CE2 3.95Å; Y196-F243 HydrophobicContact CG-CE2 3.95Å; Y196-F243 AromaticContact CG-CZ 3.81Å; Y196-F243 HydrophobicContact CG-CZ 3.81Å; Y196-F243 PolarHBondContact N-O 3.47Å; Y196-F243 PolarHBondContact O-N 3.12Å; Y196-E245 HydrophobicContact CD2-CB 4.39Å; Y196-E245 HydrophobicContact CD2-CG 4.2Å; Y196-E245 HydrophobicContact CE2-CB 4.07Å; Y196-E245 HydrophobicContact CE2-CG 4.16Å; Y196-E245 WeakPolarHBondContact CE2-OE2 3.08Å
197H96.6Very high94.2Very high17 Ų1766 Ų668%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-127.2129.9174.8166.1-151.8000108.7S199 K206 V207 L209 D240 A241 L242H197-S199 WeakPolarHBondContact NE2-CA 3.12Å; H197-K206 CarbonylContact O-C 3.55Å; H197-V207 PolarHBondContact N-O 3.09Å; H197-V207 PolarHBondContact O-N 3.18Å; H197-L209 HydrophobicContact CB-CD1 3.71Å; H197-L209 HydrophobicContact CB-CD2 3.81Å; H197-L209 HydrophobicContact CB-CG 3.61Å; H197-D240 IonicContact CE1-OD2 2.7Å; H197-D240 PolarHBondContact CE1-OD2 2.9Å; H197-D240 WeakPolarHBondContact NE2-CB 3.39Å; H197-D240 IonicContact NE2-OD1 2.97Å; H197-D240 PolarHBondContact NE2-OD1 3.22Å; H197-D240 IonicContact NE2-OD2 2.81Å; H197-D240 PolarHBondContact NE2-OD2 3.05Å; H197-A241 CarbonylContact C-O 3.57Å; H197-A241 VanDerWaalsContact CA-O 3.31Å; H197-A241 WeakPolarHBondContact CA-O 3.47Å; H197-L242 HydrophobicContact CB-CD2 4.09Å
198K97.5Very high94.6Very high66 Ų6667.8 Ų67.829%0.28732%0.322SS..EExtended strand (participates in β ladder)trans-97.2114.5164.2-57-179.9177.5155.20108.4N148 R205 D240 A241 F243N148-K198 PolarHBondContact OD1-NZ 2.88Å; K198-R205 WeakPolarHBondContact CA-O 3.26Å; K198-D240 WeakPolarHBondContact O-CA 3.31Å; K198-A241 HydrophobicContact CB-CB 4.19Å; K198-A241 PolarHBondContact N-O 2.9Å; K198-A241 PolarHBondContact O-N 2.78Å; K198-F243 HydrophobicContact CD-CD1 4.5Å; K198-F243 HydrophobicContact CD-CE1 4.13Å; K198-F243 HydrophobicContact CG-CD1 4.13Å; K198-F243 HydrophobicContact CG-CE1 3.55Å; K198-F243 HydrophobicContact CG-CZ 4.47Å
199S94.1Very high95Very high11 Ų1161 Ų618%0.07729%0.293CS..EExtended strand (participates in β ladder)trans-87.2121.8179.5-178.40000111.1H197 K201 Q202 S204 R205 D240H197-S199 WeakPolarHBondContact NE2-CA 3.12Å; S199-K201 PolarHBondContact O-N 2.81Å; S199-Q202 CarbonylContact O-C 3.46Å; S199-Q202 PolarHBondContact O-N 3.42Å; S199-Q202 VanDerWaalsContact O-N 3.1Å; S199-S204 VanDerWaalsContact O-CA 3.22Å; S199-S204 WeakPolarHBondContact O-CA 3.39Å; S199-S204 PolarHBondContact O-N 2.71Å; S199-R205 PolarHBondContact N-O 2.81Å; S199-D240 VanDerWaalsContact CA-OD1 3.26Å; S199-D240 WeakPolarHBondContact CA-OD1 3.46Å
200I92.8Very high95.3Very high83 Ų8361.5 Ų61.543%0.42630%0.295SS..G310 helixtrans-62.3-36.8177.5-16762.9000111.3Q202 N203 V237 E238 D240I200-Q202 PolarHBondContact O-N 3.31Å; I200-N203 PolarHBondContact O-N 3.47Å; I200-V237 HydrophobicContact CG2-CG2 3.73Å; I200-E238 WeakPolarHBondContact CG2-O 3.42Å; I200-D240 WeakPolarHBondContact CG2-OD1 3.47Å; I200-D240 PolarHBondContact N-OD1 2.84Å
201K91.7Very high95.5Very high167 Ų16761.7 Ų61.773%0.72629%0.294SS*.G310 helixtrans-65.1-24.4177.6-69.8-178.5174.7-1800113.2S199 V237S199-K201 PolarHBondContact O-N 2.81Å; K201-V237 HydrophobicContact CD-CG1 4.5Å; K201-V237 HydrophobicContact CD-CG2 4.19Å; K201-V237 HydrophobicContact CG-CG2 4.18Å
202Q91.6Very high95.6Very high102 Ų10263.8 Ų63.848%0.47731%0.307SS..G310 helixtrans-106.635.6-179.7-57-174.813.700111.5S199 I200 S204 R205S199-Q202 CarbonylContact O-C 3.46Å; S199-Q202 PolarHBondContact O-N 3.42Å; S199-Q202 VanDerWaalsContact O-N 3.1Å; I200-Q202 PolarHBondContact O-N 3.31Å; Q202-S204 VanDerWaalsContact C-N 3.28Å; Q202-S204 PolarHBondContact O-N 3.03Å; Q202-R205 HydrophobicContact CB-CB 3.93Å; Q202-R205 VanDerWaalsContact O-CB 3.23Å; Q202-R205 WeakPolarHBondContact O-CB 3.38Å; Q202-R205 PolarHBondContact O-N 3.18Å; Q202-R205 VanDerWaalsContact O-N 3.07Å
203N91.4Very high95.5Very high153 Ų15364.1 Ų64.182%0.81832%0.315SS*.THydrogen-bonded Turntrans52.846.1-179.7-165.617000112.3I200 R205I200-N203 PolarHBondContact O-N 3.47Å; N203-R205 PolarHBondContact O-N 3Å
204S89.4Confident95.4Very high63 Ų6366.2 Ų66.244%0.44133%0.33SS..THydrogen-bonded Turntrans59.126.5-179.4-59.30000114.8S199 Q202 K206S199-S204 VanDerWaalsContact O-CA 3.22Å; S199-S204 WeakPolarHBondContact O-CA 3.39Å; S199-S204 PolarHBondContact O-N 2.71Å; Q202-S204 VanDerWaalsContact C-N 3.28Å; Q202-S204 PolarHBondContact O-N 3.03Å; S204-K206 PolarHBondContact O-N 3.31Å
205R93.6Very high95.2Very high165 Ų16568.3 Ų68.362%0.62335%0.347SS*.EExtended strand (participates in β ladder)trans-57.6129.2175-179.1179.9179.1-178.12.2111K198 S199 Q202 N203 V207K198-R205 WeakPolarHBondContact CA-O 3.26Å; S199-R205 PolarHBondContact N-O 2.81Å; Q202-R205 HydrophobicContact CB-CB 3.93Å; Q202-R205 VanDerWaalsContact O-CB 3.23Å; Q202-R205 WeakPolarHBondContact O-CB 3.38Å; Q202-R205 PolarHBondContact O-N 3.18Å; Q202-R205 VanDerWaalsContact O-N 3.07Å; N203-R205 PolarHBondContact O-N 3Å; R205-V207 HydrophobicContact CG-CG2 4.46Å
206K95.1Very high95Very high92 Ų9271.4 Ų71.440%0.436%0.36SS..EExtended strand (participates in β ladder)trans-70.8123.8172.1177.7174.5-179.5177.80110.8Y196 H197 S204 F243 E245Y196-K206 HydrophobicContact CD1-CD 4.08Å; Y196-K206 HydrophobicContact CD1-CG 3.63Å; Y196-K206 HydrophobicContact CE1-CD 4.29Å; Y196-K206 HydrophobicContact CE1-CG 4.17Å; Y196-K206 HydrophobicContact CG-CD 4.37Å; Y196-K206 VanDerWaalsContact CG-CE 3.43Å; Y196-K206 HydrophobicContact CG-CG 4.12Å; H197-K206 CarbonylContact O-C 3.55Å; S204-K206 PolarHBondContact O-N 3.31Å; K206-F243 HydrophobicContact CD-CE2 4.37Å; K206-F243 HydrophobicContact CD-CZ 3.74Å; K206-F243 HydrophobicContact CG-CE1 4.48Å; K206-F243 HydrophobicContact CG-CZ 3.82Å; K206-E245 IonicContact NZ-OE1 3.24Å; K206-E245 PolarHBondContact NZ-OE1 2.92Å; K206-E245 IonicContact NZ-OE2 3.46Å; K206-E245 PolarHBondContact NZ-OE2 2.81Å
207V95.9Very high94.8Very high52 Ų5278.6 Ų78.632%0.31540%0.395SS..EExtended strand (participates in β ladder)trans-127.6130.4178.6-178.10000109.3Y196 H197 R205Y196-V207 CarbonylContact C-O 3.55Å; Y196-V207 WeakPolarHBondContact CA-O 3.47Å; H197-V207 PolarHBondContact N-O 3.09Å; H197-V207 PolarHBondContact O-N 3.18Å; R205-V207 HydrophobicContact CG-CG2 4.46Å
208L97.4Very high94.5Very high79 Ų7978.8 Ų78.841%0.41440%0.395SS..EExtended strand (participates in β ladder)trans-74.9123.6175.9-17964.2000110.1Y194 Y196 M210 K211Y194-L208 HydrophobicContact CD1-CD1 3.82Å; Y194-L208 HydrophobicContact CG-CD1 4.43Å; Y196-L208 HydrophobicContact CD1-CB 4.04Å; Y196-L208 HydrophobicContact CD1-CD1 4.02Å; Y196-L208 HydrophobicContact CE1-CB 3.77Å; Y196-L208 HydrophobicContact CE1-CD1 3.62Å; Y196-L208 HydrophobicContact CE1-CG 4.27Å; Y196-L208 HydrophobicContact CE2-CD1 4.4Å; L208-M210 WeakPolarHBondContact CD1-O 3.16Å; L208-K211 HydrophobicContact CD1-CB 4.49Å; L208-K211 HydrophobicContact CD2-CB 4.3Å
209L97Very high93.8Very high21 Ų2179.4 Ų79.411%0.1140%0.401CS..EExtended strand (participates in β ladder)trans-94-44.5176.1-66.8-172.7000112.7V195 H197 R232 V234 L242V195-L209 WeakPolarHBondContact O-CB 3.15Å; V195-L209 PolarHBondContact O-N 2.79Å; H197-L209 HydrophobicContact CB-CD1 3.71Å; H197-L209 HydrophobicContact CB-CD2 3.81Å; H197-L209 HydrophobicContact CB-CG 3.61Å; L209-R232 PolarHBondContact O-NH1 2.85Å; L209-V234 HydrophobicContact CD1-CG1 4.21Å; L209-V234 HydrophobicContact CD1-CG2 4.23Å; L209-V234 HydrophobicContact CD2-CG2 4.04Å; L209-L242 HydrophobicContact CD1-CD2 3.65Å
210M97.5Very high93.2Very high18 Ų1881.2 Ų81.29%0.08941%0.41CS..EExtended strand (participates in β ladder)trans-150.1147.2-173.9-55.1178.8-83.700110.3V159 V195 L208 Q230 R232V159-M210 HydrophobicContact CB-CE 4.3Å; V159-M210 HydrophobicContact CG1-CE 3.98Å; V195-M210 HydrophobicContact CB-CB 4.25Å; V195-M210 HydrophobicContact CB-CE 3.76Å; V195-M210 HydrophobicContact CG1-CE 3.77Å; V195-M210 HydrophobicContact CG2-CB 4.48Å; V195-M210 HydrophobicContact CG2-CE 3.79Å; V195-M210 PolarHBondContact N-O 2.68Å; V195-M210 PolarHBondContact O-N 2.89Å; L208-M210 WeakPolarHBondContact CD1-O 3.16Å; M210-Q230 HydrophobicContact CB-CG 4.32Å; M210-Q230 VanDerWaalsContact CB-OE1 3.28Å; M210-Q230 HydrophobicContact SD-CG 4.14Å; M210-R232 HydrophobicContact CE-CB 4.2Å; M210-R232 HydrophobicContact CG-CB 3.82Å; M210-R232 HydrophobicContact SD-CB 3.27Å; M210-R232 WeakPolarHBondContact SD-CB 3.34Å
211K97.7Very high92.5Very high119 Ų11982.3 Ų82.352%0.51742%0.42SS..EExtended strand (participates in β ladder)trans-143.6130.1176.6179.2-175.4179.9171.80108.5I192 Q193 Y194 L208 Q230I192-K211 HydrophobicContact CG2-CD 4.46Å; I192-K211 HydrophobicContact CG2-CG 4.02Å; Q193-K211 WeakPolarHBondContact O-CA 3.4Å; Y194-K211 HydrophobicContact CD1-CB 4.19Å; Y194-K211 HydrophobicContact CD1-CD 3.93Å; Y194-K211 HydrophobicContact CD1-CG 3.79Å; Y194-K211 HydrophobicContact CE1-CB 4.5Å; Y194-K211 HydrophobicContact CE1-CD 3.39Å; Y194-K211 HydrophobicContact CE1-CG 3.69Å; Y194-K211 HydrophobicContact CG-CG 4.43Å; Y194-K211 VanDerWaalsContact CZ-CE 3.47Å; Y194-K211 VanDerWaalsContact OH-CE 3.24Å; Y194-K211 WeakPolarHBondContact OH-CE 3.22Å; Y194-K211 PolarHBondContact OH-NZ 3.3Å; L208-K211 HydrophobicContact CD1-CB 4.49Å; L208-K211 HydrophobicContact CD2-CB 4.3Å; K211-Q230 VanDerWaalsContact C-OE1 3.3Å
212T97.8Very high92Very high44 Ų4476.7 Ų76.727%0.2740%0.403SS..EExtended strand (participates in β ladder)trans-143.6161173.9-1690000109.4I192 Q193 A228 Q230I192-T212 WeakPolarHBondContact CG2-O 3.26Å; Q193-T212 HydrophobicContact CB-CG2 4.15Å; Q193-T212 PolarHBondContact N-O 2.77Å; Q193-T212 PolarHBondContact O-N 2.7Å; T212-A228 HydrophobicContact CG2-CB 3.93Å; T212-Q230 HydrophobicContact CG2-CB 4.22Å; T212-Q230 VanDerWaalsContact CG2-CD 3.44Å; T212-Q230 HydrophobicContact CG2-CG 3.99Å
213G96Very high91.9Very high29 Ų2978 Ų7830%0.29940%0.404SS..EExtended strand (participates in β ladder)trans150.9-178.8-179.900000113.3L191 Y226L191-G213 CarbonylContact O-C 3.56Å; L191-G213 WeakPolarHBondContact O-CA 3.25Å; G213-Y226 VanDerWaalsContact CA-OH 3.32Å; G213-Y226 WeakPolarHBondContact CA-OH 3.22Å
214S95.3Very high92Very high44 Ų4471.8 Ų71.831%0.30837%0.371SS..EExtended strand (participates in β ladder)trans-152.9159.2178.1-166.70000111.6L191L191-S214 PolarHBondContact N-O 2.82Å; L191-S214 PolarHBondContact O-N 3.02Å
215T95.1Very high92.2Very high78 Ų7872.1 Ų72.148%0.47937%0.366SS..EExtended strand (participates in β ladder)trans-89.7119.2161.8-55.50000107.5A189 Q190A189-T215 CarbonylContact O-C 3.53Å; A189-T215 WeakPolarHBondContact O-CA 3.42Å; Q190-T215 HydrophobicContact CG-CG2 4.19Å
216K94.1Very high92.4Very high64 Ų6466 Ų6628%0.27834%0.343SS..EExtended strand (participates in β ladder)trans-102.4140.3-179-64.5-58.4-170.4-178.60111.2K188 A189 L191 W218 Y226K188-K216 CarbonylContact C-O 3.52Å; K188-K216 WeakPolarHBondContact CA-O 3.09Å; A189-K216 PolarHBondContact N-O 3.33Å; A189-K216 VanDerWaalsContact N-O 3.09Å; A189-K216 PolarHBondContact O-N 2.86Å; L191-K216 HydrophobicContact CD1-CB 4.28Å; L191-K216 HydrophobicContact CD1-CG 3.82Å; K216-W218 VanDerWaalsContact CB-CD1 3.49Å; K216-W218 HydrophobicContact CB-CD2 4.3Å; K216-W218 HydrophobicContact CB-CG 4.09Å; K216-W218 VanDerWaalsContact CB-NE1 3.32Å; K216-Y226 HydrophobicContact CG-CG 4.36Å
217Q92.5Very high92.5Very high183 Ų18364.3 Ų64.386%0.85534%0.343SS*.  trans-93.494.3167.3-64.2-176.121.900108S187S187-Q217 VanDerWaalsContact O-CA 3.31Å; S187-Q217 WeakPolarHBondContact O-CA 3.27Å
218W91.1Very high92.5Very high22 Ų2262 Ų628%0.08333%0.329CS..  trans-98.5147.1-178-74.3-9000111.9F165 V186 S187 A189 L191 K216 N224 L251F165-W218 HydrophobicContact CB-CH2 3.89Å; F165-W218 WeakPolarHBondContact O-CH2 3.12Å; V186-W218 HydrophobicContact CB-CB 4.32Å; V186-W218 HydrophobicContact CB-CE3 4.16Å; V186-W218 HydrophobicContact CG2-CB 3.9Å; V186-W218 HydrophobicContact CG2-CE3 4.33Å; V186-W218 WeakPolarHBondContact O-CB 3.33Å; S187-W218 WeakPolarHBondContact CA-O 3.42Å; A189-W218 HydrophobicContact CB-CE3 4.28Å; L191-W218 HydrophobicContact CD1-CH2 3.36Å; L191-W218 HydrophobicContact CD1-CZ2 3.25Å; L191-W218 HydrophobicContact CD1-CZ3 4.07Å; L191-W218 HydrophobicContact CD2-CH2 4.49Å; K216-W218 VanDerWaalsContact CB-CD1 3.49Å; K216-W218 HydrophobicContact CB-CD2 4.3Å; K216-W218 HydrophobicContact CB-CG 4.09Å; K216-W218 VanDerWaalsContact CB-NE1 3.32Å; W218-N224 HydrophobicContact CB-CB 4.18Å; W218-N224 WeakPolarHBondContact CB-OD1 3.36Å; W218-N224 HydrophobicContact CD2-CB 3.52Å; W218-N224 HydrophobicContact CE3-CB 3.87Å; W218-N224 HydrophobicContact CG-CB 3.68Å; W218-N224 HydrophobicContact CZ2-CB 4.21Å; W218-N224 HydrophobicContact CZ3-CB 4.36Å; W218-L251 HydrophobicContact CE3-CD1 4.46Å; W218-L251 HydrophobicContact CZ3-CD1 3.86Å; W218-L251 HydrophobicContact CZ3-CD2 4.19Å; W218-L251 HydrophobicContact CZ3-CG 4.48Å
219N83.2Confident92.5Very high78 Ų7864.3 Ų64.342%0.41734%0.337SS..  trans-82.8125.4172.7-178.23.5000109.6T221 N224N219-T221 PolarHBondContact ND2-OG1 2.97Å; N219-T221 PolarHBondContact O-N 2.73Å; N219-T221 PolarHBondContact OD1-N 3.11Å; N219-T221 PolarHBondContact OD1-OG1 3.24Å; N219-T221 VanDerWaalsContact OD1-OG1 3.1Å; N219-N224 PolarHBondContact N-OD1 2.84Å; N219-N224 PolarHBondContact O-ND2 3.13Å
220N81.9Confident92.5Very high50 Ų5064.8 Ų64.827%0.26734%0.339SS..THydrogen-bonded Turntrans-70.6-5.9178.8-63-15000113.6Y167 N169 D185 V186 S187Y167-N220 PolarHBondContact OH-O 3.07Å; N169-N220 PolarHBondContact ND2-O 3.43Å; D185-N220 PolarHBondContact OD1-ND2 2.87Å; V186-N220 WeakPolarHBondContact CG2-OD1 3.32Å; V186-N220 PolarHBondContact N-OD1 3Å; S187-N220 PolarHBondContact N-OD1 2.86Å
221T76.3Confident92.6Very high105 Ų10566.5 Ų66.564%0.64435%0.353SS*.THydrogen-bonded Turntrans-104.3-6.1-175.373.40000114.9N219N219-T221 PolarHBondContact ND2-OG1 2.97Å; N219-T221 PolarHBondContact O-N 2.73Å; N219-T221 PolarHBondContact OD1-N 3.11Å; N219-T221 PolarHBondContact OD1-OG1 3.24Å; N219-T221 VanDerWaalsContact OD1-OG1 3.1Å
222S81.4Confident92.5Very high50 Ų5066.9 Ų66.935%0.3535%0.351SS..SBendtrans-137.5-179.7-172.665.90000112.6N224S222-N224 PolarHBondContact O-ND2 2.78Å; S222-N224 VanDerWaalsContact O-ND2 3.09Å
223Y90.4Very high92.5Very high129 Ų12968.3 Ų68.351%0.50636%0.36SS..  trans-64.9138.5166.8-179.6-95.5000111.3R166 Y167 M225R166-Y223 HydrophobicContact CG-CD2 4.46Å; R166-Y223 HydrophobicContact CG-CE2 3.53Å; Y167-Y223 CarbonylContact O-C 3.48Å; Y167-Y223 VanDerWaalsContact O-CA 3.31Å; Y167-Y223 WeakPolarHBondContact O-CA 3.47Å; Y223-M225 HydrophobicContact CE1-CB 3.61Å
224N93.3Very high92.6Very high23 Ų2367.8 Ų67.812%0.12335%0.351CS..EExtended strand (participates in β ladder)trans-138.6145.2169.6-57.7-101.1000109.3R166 Y167 W218 N219 S222R166-N224 WeakPolarHBondContact CA-O 3.35Å; Y167-N224 PolarHBondContact N-O 2.89Å; Y167-N224 PolarHBondContact O-N 3.2Å; W218-N224 HydrophobicContact CB-CB 4.18Å; W218-N224 WeakPolarHBondContact CB-OD1 3.36Å; W218-N224 HydrophobicContact CD2-CB 3.52Å; W218-N224 HydrophobicContact CE3-CB 3.87Å; W218-N224 HydrophobicContact CG-CB 3.68Å; W218-N224 HydrophobicContact CZ2-CB 4.21Å; W218-N224 HydrophobicContact CZ3-CB 4.36Å; N219-N224 PolarHBondContact N-OD1 2.84Å; N219-N224 PolarHBondContact O-ND2 3.13Å; S222-N224 PolarHBondContact O-ND2 2.78Å; S222-N224 VanDerWaalsContact O-ND2 3.09Å
225M94.5Very high92.7Very high69 Ų6970.3 Ų70.334%0.3436%0.361SS..EExtended strand (participates in β ladder)trans-143143179.1-176.263136.300110.7C164 F165 R166 Y223 D253C164-M225 HydrophobicContact CB-CE 3.78Å; C164-M225 HydrophobicContact CB-SD 4.04Å; F165-M225 CarbonylContact O-C 3.33Å; F165-M225 VanDerWaalsContact O-CA 3.29Å; F165-M225 WeakPolarHBondContact O-CA 3.36Å; R166-M225 HydrophobicContact CB-CE 4.45Å; R166-M225 HydrophobicContact CB-SD 3.73Å; R166-M225 HydrophobicContact CG-SD 4.08Å; Y223-M225 HydrophobicContact CE1-CB 3.61Å; M225-D253 VanDerWaalsContact CE-OD2 3.24Å; M225-D253 WeakPolarHBondContact CE-OD2 3.33Å
226Y96.2Very high92.8Very high36 Ų3666.6 Ų66.614%0.14134%0.338CS..EExtended strand (participates in β ladder)trans-148125172.7169.4-115.3000110C164 F165 L191 G213 K216 A228C164-Y226 CarbonylContact C-O 3.55Å; C164-Y226 WeakPolarHBondContact CA-O 3.45Å; F165-Y226 AromaticContact CD2-CD1 3.88Å; F165-Y226 HydrophobicContact CD2-CD1 3.88Å; F165-Y226 HydrophobicContact CD2-CE1 4.44Å; F165-Y226 HydrophobicContact CE2-CD1 4.45Å; F165-Y226 PolarHBondContact N-O 2.97Å; F165-Y226 PolarHBondContact O-N 3.5Å; L191-Y226 HydrophobicContact CB-CD1 3.63Å; L191-Y226 HydrophobicContact CB-CE1 3.86Å; L191-Y226 HydrophobicContact CD1-CD1 3.67Å; L191-Y226 HydrophobicContact CD1-CG 4.16Å; L191-Y226 HydrophobicContact CG-CD1 4.32Å; G213-Y226 VanDerWaalsContact CA-OH 3.32Å; G213-Y226 WeakPolarHBondContact CA-OH 3.22Å; K216-Y226 HydrophobicContact CG-CG 4.36Å; Y226-A228 HydrophobicContact CE1-CB 4.07Å
227C97.6Very high92.9Very high58 Ų5864.7 Ų64.739%0.39233%0.331SS..EExtended strand (participates in β ladder)trans-111.1141.8173.6-56.40000110.9T163 C164T163-C227 WeakPolarHBondContact O-CA 3.49Å; C164-C227 HydrophobicContact CB-CB 4.15Å; C164-C227 WeakPolarHBondContact CB-SG 3.45Å; C164-C227 WeakPolarHBondContact SG-CB 3.42Å; C164-C227 CovalentContact SG-SG 2.04Å; C164-C227 PolarHBondContact SG-SG 2.83Å
228A97.1Very high93.1Very high3 Ų361.9 Ų61.93%0.02532%0.319CS..EExtended strand (participates in β ladder)trans-124.1125.9177.200000108.9K162 T163 Q193 T212 Y226K162-A228 WeakPolarHBondContact CA-O 3.48Å; T163-A228 PolarHBondContact N-O 2.04Å; T163-A228 PolarHBondContact O-N 3.04Å; Q193-A228 PolarHBondContact NE2-O 3.24Å; T212-A228 HydrophobicContact CG2-CB 3.93Å; Y226-A228 HydrophobicContact CE1-CB 4.07Å
229Q97.3Very high93.4Very high127 Ų12762.6 Ų62.659%0.59333%0.333SS*.EExtended strand (participates in β ladder)trans-131.7138178.3-173.9171.7-55.300109.8V161 K162V161-Q229 WeakPolarHBondContact O-CA 3.18Å; V161-Q229 WeakPolarHBondContact O-CG 3.3Å; K162-Q229 HydrophobicContact CB-CB 4.41Å; K162-Q229 HydrophobicContact CB-CG 4.26Å; K162-Q229 HydrophobicContact CG-CB 4.29Å
230Q96.9Very high94.1Very high31 Ų3159.1 Ų59.115%0.14531%0.314CS..EExtended strand (participates in β ladder)trans-152.4160.4175.563.1-172.4-25.400110.3Y160 V161 M210 K211 T212Y160-Q230 WeakPolarHBondContact CA-O 3.25Å; V161-Q230 HydrophobicContact CG1-CG 3.68Å; V161-Q230 PolarHBondContact N-O 2.96Å; V161-Q230 PolarHBondContact O-N 3.07Å; V161-Q230 VanDerWaalsContact O-N 3.14Å; M210-Q230 HydrophobicContact CB-CG 4.32Å; M210-Q230 VanDerWaalsContact CB-OE1 3.28Å; M210-Q230 HydrophobicContact SD-CG 4.14Å; K211-Q230 VanDerWaalsContact C-OE1 3.3Å; T212-Q230 HydrophobicContact CG2-CB 4.22Å; T212-Q230 VanDerWaalsContact CG2-CD 3.44Å; T212-Q230 HydrophobicContact CG2-CG 3.99Å
231S98Very high94.9Very high55 Ų5557 Ų5739%0.38530%0.304SS..EExtended strand (participates in β ladder)trans-152.115917563.10000111.8Y158 V159Y158-S231 WeakPolarHBondContact CE2-OG 3.42Å; Y158-S231 VanDerWaalsContact CZ-CB 3.44Å; Y158-S231 WeakPolarHBondContact OH-CB 3.28Å; Y158-S231 PolarHBondContact OH-OG 3.03Å; V159-S231 CarbonylContact O-C 3.57Å; V159-S231 WeakPolarHBondContact O-CA 3.06Å; V159-S231 WeakPolarHBondContact O-CB 3.32Å
232R97.4Very high95.9Very high127 Ų12752 Ų5248%0.47927%0.273SS..EExtended strand (participates in β ladder)trans-157.9146178.7-177.8172.7-177.3-159.8-1.2111V159 L209 M210V159-R232 PolarHBondContact N-O 3.01Å; V159-R232 PolarHBondContact O-N 3.09Å; L209-R232 PolarHBondContact O-NH1 2.85Å; M210-R232 HydrophobicContact CE-CB 4.2Å; M210-R232 HydrophobicContact CG-CB 3.82Å; M210-R232 HydrophobicContact SD-CB 3.27Å; M210-R232 WeakPolarHBondContact SD-CB 3.34Å
233V97.7Very high96.7Very high73 Ų7349.9 Ų49.944%0.44226%0.257SS..EExtended strand (participates in β ladder)trans-84.7126.8165.6-178.70000109.5L156 Y157 Y158L156-V233 HydrophobicContact CB-CG1 4.26Å; L156-V233 HydrophobicContact CD2-CG1 4.22Å; Y157-V233 CarbonylContact O-C 3.6Å; Y157-V233 VanDerWaalsContact O-CA 3.27Å; Y157-V233 WeakPolarHBondContact O-CA 3.41Å; Y158-V233 HydrophobicContact CD2-CG2 4.01Å
234V97.1Very high97.1Very high18 Ų1843.7 Ų43.711%0.10923%0.233CC..EExtended strand (participates in β ladder)trans-134.7141.7-179.157.20000110.1Y157 V159 L209 L236Y157-V234 PolarHBondContact N-O 3.39Å; Y157-V234 PolarHBondContact O-N 3.08Å; V159-V234 HydrophobicContact CB-CG1 4.47Å; V159-V234 HydrophobicContact CG2-CG1 3.54Å; L209-V234 HydrophobicContact CD1-CG1 4.21Å; L209-V234 HydrophobicContact CD1-CG2 4.23Å; L209-V234 HydrophobicContact CD2-CG2 4.04Å; V234-L236 HydrophobicContact CG1-CD1 4.03Å; V234-L236 HydrophobicContact CG1-CD2 4Å; V234-L236 HydrophobicContact CG1-CG 3.92Å; V234-L236 HydrophobicContact CG2-CD2 3.87Å; V234-L236 HydrophobicContact CG2-CG 4.38Å
235N97.1Very high97.3Very high98 Ų9843.7 Ų43.752%0.52423%0.232SC..EExtended strand (participates in β ladder)trans-82.5122.3170.9-170.1-1.7000109.1G155 L156G155-N235 PolarHBondContact O-OD1 3.46Å; L156-N235 HydrophobicContact CD2-CB 3.87Å
236L97.3Very high97.5Very high0 Ų040.4 Ų40.40%022%0.216CC..EExtended strand (participates in β ladder)trans-123.5145.3-179.7-57.5172.7000109.3V151 S154 G155 Y157 V234 L242V151-L236 HydrophobicContact CG1-CB 4.2Å; V151-L236 HydrophobicContact CG2-CB 3.98Å; V151-L236 HydrophobicContact CG2-CD1 3.72Å; V151-L236 HydrophobicContact CG2-CG 4.41Å; S154-L236 CarbonylContact C-O 3.54Å; S154-L236 WeakPolarHBondContact CA-O 3.35Å; G155-L236 PolarHBondContact N-O 2.98Å; G155-L236 PolarHBondContact O-N 3.29Å; Y157-L236 HydrophobicContact CD2-CB 3.89Å; Y157-L236 HydrophobicContact CD2-CD1 3.86Å; Y157-L236 HydrophobicContact CD2-CG 4.15Å; Y157-L236 HydrophobicContact CE2-CB 4.29Å; Y157-L236 HydrophobicContact CG-CD1 3.84Å; V234-L236 HydrophobicContact CG1-CD1 4.03Å; V234-L236 HydrophobicContact CG1-CD2 4Å; V234-L236 HydrophobicContact CG1-CG 3.92Å; V234-L236 HydrophobicContact CG2-CD2 3.87Å; V234-L236 HydrophobicContact CG2-CG 4.38Å; L236-L242 HydrophobicContact CD1-CD1 3.71Å; L236-L242 HydrophobicContact CD1-CD2 4.06Å; L236-L242 HydrophobicContact CD1-CG 4.04Å; L236-L242 HydrophobicContact CD2-CD2 4.05Å
237V97.2Very high97.4Very high23 Ų2339.1 Ų39.114%0.13921%0.212CC..  trans-104.9157173.6-59.10000111V151 S154 I200 K201 G239 D240V151-V237 WeakPolarHBondContact CG1-O 3.38Å; S154-V237 WeakPolarHBondContact OG-CA 3.44Å; I200-V237 HydrophobicContact CG2-CG2 3.73Å; K201-V237 HydrophobicContact CD-CG1 4.5Å; K201-V237 HydrophobicContact CD-CG2 4.19Å; K201-V237 HydrophobicContact CG-CG2 4.18Å; V237-G239 PolarHBondContact O-N 2.98Å; V237-D240 VanDerWaalsContact CG2-CG 3.43Å; V237-D240 VanDerWaalsContact CG2-OD1 3.31Å; V237-D240 WeakPolarHBondContact CG2-OD1 3.43Å; V237-D240 VanDerWaalsContact CG2-OD2 3.24Å; V237-D240 WeakPolarHBondContact CG2-OD2 3.41Å; V237-D240 PolarHBondContact N-OD2 3.21Å; V237-D240 WeakPolarHBondContact O-CB 3.37Å; V237-D240 PolarHBondContact O-N 2.98Å
238E97.3Very high97.2Very high125 Ų12537 Ų3758%0.58420%0.197SC*.THydrogen-bonded Turntrans-53.3130.6171.7-179.2-180177.800110.6R152 S154 I200R152-E238 WeakPolarHBondContact O-CG 3.1Å; S154-E238 PolarHBondContact OG-N 2.77Å; I200-E238 WeakPolarHBondContact CG2-O 3.42Å
239G96.6Very high97.1Very high37 Ų3737 Ų3738%0.38120%0.197SC..THydrogen-bonded Turntrans92-13.1-174.900000114.6V151 V237V151-G239 PolarHBondContact O-N 3.31Å; V237-G239 PolarHBondContact O-N 2.98Å
240D97.9Very high96.8Very high4 Ų433 Ų332%0.02118%0.177CC..  trans-64.5152.2170.3-73.3-14.8000110.7V151 H197 K198 S199 I200 V237V151-D240 HydrophobicContact CB-CB 4.44Å; V151-D240 WeakPolarHBondContact CB-O 3.08Å; V151-D240 HydrophobicContact CG2-CB 4.32Å; V151-D240 PolarHBondContact N-O 3.31Å; H197-D240 IonicContact CE1-OD2 2.7Å; H197-D240 PolarHBondContact CE1-OD2 2.9Å; H197-D240 WeakPolarHBondContact NE2-CB 3.39Å; H197-D240 IonicContact NE2-OD1 2.97Å; H197-D240 PolarHBondContact NE2-OD1 3.22Å; H197-D240 IonicContact NE2-OD2 2.81Å; H197-D240 PolarHBondContact NE2-OD2 3.05Å; K198-D240 WeakPolarHBondContact O-CA 3.31Å; S199-D240 VanDerWaalsContact CA-OD1 3.26Å; S199-D240 WeakPolarHBondContact CA-OD1 3.46Å; I200-D240 WeakPolarHBondContact CG2-OD1 3.47Å; I200-D240 PolarHBondContact N-OD1 2.84Å; V237-D240 VanDerWaalsContact CG2-CG 3.43Å; V237-D240 VanDerWaalsContact CG2-OD1 3.31Å; V237-D240 WeakPolarHBondContact CG2-OD1 3.43Å; V237-D240 VanDerWaalsContact CG2-OD2 3.24Å; V237-D240 WeakPolarHBondContact CG2-OD2 3.41Å; V237-D240 PolarHBondContact N-OD2 3.21Å; V237-D240 WeakPolarHBondContact O-CB 3.37Å; V237-D240 PolarHBondContact O-N 2.98Å
241A98.1Very high96.7Very high7 Ų731.7 Ų31.76%0.05817%0.171CC..EExtended strand (participates in β ladder)trans-128.3136.4179.400000111.7N148 L149 L150 H197 K198N148-A241 HydrophobicContact CB-CB 4.19Å; L149-A241 CarbonylContact O-C 3.57Å; L149-A241 WeakPolarHBondContact O-CA 3.31Å; L150-A241 HydrophobicContact CD2-CB 3.66Å; H197-A241 CarbonylContact C-O 3.57Å; H197-A241 VanDerWaalsContact CA-O 3.31Å; H197-A241 WeakPolarHBondContact CA-O 3.47Å; K198-A241 HydrophobicContact CB-CB 4.19Å; K198-A241 PolarHBondContact N-O 2.9Å; K198-A241 PolarHBondContact O-N 2.78Å
242L98.5Very high96.5Very high0 Ų029.6 Ų29.60%016%0.155CC..EExtended strand (participates in β ladder)trans-107.9142.7173.7-59.7171.4000110.2N148 L149 V159 Y196 H197 L209 L236 F261 A263N148-L242 CarbonylContact C-O 3.58Å; N148-L242 WeakPolarHBondContact CA-O 3.43Å; L149-L242 HydrophobicContact CB-CB 4.4Å; L149-L242 HydrophobicContact CD2-CD1 4.43Å; L149-L242 PolarHBondContact N-O 3.45Å; L149-L242 PolarHBondContact O-N 2.73Å; V159-L242 HydrophobicContact CG1-CD1 4.11Å; V159-L242 HydrophobicContact CG2-CD1 3.63Å; Y196-L242 WeakPolarHBondContact O-CA 3.44Å; H197-L242 HydrophobicContact CB-CD2 4.09Å; L209-L242 HydrophobicContact CD1-CD2 3.65Å; L236-L242 HydrophobicContact CD1-CD1 3.71Å; L236-L242 HydrophobicContact CD1-CD2 4.06Å; L236-L242 HydrophobicContact CD1-CG 4.04Å; L236-L242 HydrophobicContact CD2-CD2 4.05Å; L242-F261 HydrophobicContact CB-CE1 4.3Å; L242-F261 HydrophobicContact CB-CZ 3.67Å; L242-F261 HydrophobicContact CD1-CZ 4.19Å; L242-A263 HydrophobicContact CD1-CB 4.21Å
243F98.3Very high96.4Very high4 Ų423.9 Ų23.92%0.01813%0.134CC..EExtended strand (participates in β ladder)trans-154162.7175.464.5-79.3000110.9N129 G147 Y196 K198 K206 E245N129-F243 WeakPolarHBondContact ND2-CD2 3.41Å; G147-F243 VanDerWaalsContact O-CB 3.25Å; G147-F243 WeakPolarHBondContact O-CB 3.11Å; Y196-F243 HydrophobicContact CD2-CD2 4.37Å; Y196-F243 AromaticContact CD2-CE2 3.78Å; Y196-F243 HydrophobicContact CD2-CE2 3.78Å; Y196-F243 HydrophobicContact CD2-CZ 4.13Å; Y196-F243 HydrophobicContact CG-CE1 4.38Å; Y196-F243 AromaticContact CG-CE2 3.95Å; Y196-F243 HydrophobicContact CG-CE2 3.95Å; Y196-F243 AromaticContact CG-CZ 3.81Å; Y196-F243 HydrophobicContact CG-CZ 3.81Å; Y196-F243 PolarHBondContact N-O 3.47Å; Y196-F243 PolarHBondContact O-N 3.12Å; K198-F243 HydrophobicContact CD-CD1 4.5Å; K198-F243 HydrophobicContact CD-CE1 4.13Å; K198-F243 HydrophobicContact CG-CD1 4.13Å; K198-F243 HydrophobicContact CG-CE1 3.55Å; K198-F243 HydrophobicContact CG-CZ 4.47Å; K206-F243 HydrophobicContact CD-CE2 4.37Å; K206-F243 HydrophobicContact CD-CZ 3.74Å; K206-F243 HydrophobicContact CG-CE1 4.48Å; K206-F243 HydrophobicContact CG-CZ 3.82Å; F243-E245 HydrophobicContact CD2-CG 4.16Å; F243-E245 HydrophobicContact CE2-CG 4.06Å; F243-E245 WeakPolarHBondContact CE2-OE1 3.26Å
244V98.4Very high96.3Very high0 Ų023.5 Ų23.50%013%0.128CC..EExtended strand (participates in β ladder)trans-122.3133.1-174.6-176.60000109.3N129 I130 W132 V161 Q193 Y194 V195 F261N129-V244 WeakPolarHBondContact CA-O 3.5Å; I130-V244 HydrophobicContact CD1-CG1 3.97Å; I130-V244 PolarHBondContact N-O 2.88Å; W132-V244 HydrophobicContact CZ2-CB 3.8Å; W132-V244 HydrophobicContact CZ2-CG1 4.24Å; W132-V244 HydrophobicContact CZ2-CG2 3.84Å; V161-V244 HydrophobicContact CG2-CG1 4.09Å; V161-V244 HydrophobicContact CG2-CG2 3.99Å; Q193-V244 HydrophobicContact CG-CG1 4.09Å; Y194-V244 CarbonylContact O-C 3.59Å; Y194-V244 VanDerWaalsContact O-CA 3.3Å; Y194-V244 WeakPolarHBondContact O-CA 3.36Å; Y194-V244 WeakPolarHBondContact O-CG1 3.09Å; V195-V244 HydrophobicContact CG2-CG2 4.37Å; V244-F261 HydrophobicContact CG2-CB 4.23Å; V244-F261 HydrophobicContact CG2-CD1 4.1Å; V244-F261 HydrophobicContact CG2-CD2 3.72Å; V244-F261 HydrophobicContact CG2-CE1 4.45Å; V244-F261 HydrophobicContact CG2-CE2 4.12Å; V244-F261 HydrophobicContact CG2-CG 3.74Å; V244-F261 HydrophobicContact CG2-CZ 4.49Å
245E97.8Very high96.1Very high22 Ų2227.1 Ų27.110%0.10314%0.143CC..EExtended strand (participates in β ladder)trans-119.1145.9170.5-66.1176.8174.500110.7M127 I128 N129 Y194 Y196 K206 F243M127-E245 HydrophobicContact CB-CB 4.35Å; M127-E245 HydrophobicContact CE-CB 3.73Å; I128-E245 CarbonylContact O-C 3.53Å; I128-E245 WeakPolarHBondContact O-CA 3.39Å; N129-E245 HydrophobicContact CB-CG 4.16Å; Y194-E245 PolarHBondContact N-O 3.02Å; Y194-E245 PolarHBondContact O-N 2.8Å; Y196-E245 HydrophobicContact CD2-CB 4.39Å; Y196-E245 HydrophobicContact CD2-CG 4.2Å; Y196-E245 HydrophobicContact CE2-CB 4.07Å; Y196-E245 HydrophobicContact CE2-CG 4.16Å; Y196-E245 WeakPolarHBondContact CE2-OE2 3.08Å; K206-E245 IonicContact NZ-OE1 3.24Å; K206-E245 PolarHBondContact NZ-OE1 2.92Å; K206-E245 IonicContact NZ-OE2 3.46Å; K206-E245 PolarHBondContact NZ-OE2 2.81Å; F243-E245 HydrophobicContact CD2-CG 4.16Å; F243-E245 HydrophobicContact CE2-CG 4.06Å; F243-E245 WeakPolarHBondContact CE2-OE1 3.26Å
246V97.3Very high96Very high0 Ų024.5 Ų24.50%014%0.135CC..EExtended strand (participates in β ladder)trans-129.5150.1175.8-68.90000111.9M127 I128 I130 T163 F165 I192 Q193 A249 L252M127-V246 WeakPolarHBondContact CE-O 3.22Å; I128-V246 PolarHBondContact N-O 2.88Å; I128-V246 PolarHBondContact O-N 2.87Å; I130-V246 HydrophobicContact CD1-CB 4.46Å; I130-V246 HydrophobicContact CD1-CG1 3.68Å; I130-V246 HydrophobicContact CD1-CG2 3.96Å; I130-V246 HydrophobicContact CG1-CG1 4.42Å; I130-V246 HydrophobicContact CG1-CG2 3.89Å; T163-V246 HydrophobicContact CG2-CG1 3.99Å; F165-V246 HydrophobicContact CE1-CB 4.15Å; F165-V246 HydrophobicContact CZ-CB 3.98Å; F165-V246 HydrophobicContact CZ-CG1 3.95Å; I192-V246 VanDerWaalsContact O-CA 3.26Å; I192-V246 WeakPolarHBondContact O-CA 3.49Å; Q193-V246 HydrophobicContact CB-CG1 4.29Å; Q193-V246 HydrophobicContact CG-CG1 4.33Å; V246-A249 HydrophobicContact CG2-CB 3.89Å; V246-L252 HydrophobicContact CG2-CD1 4.39Å; V246-L252 HydrophobicContact CG2-CD2 4.27Å
247S95.3Very high95.7Very high9 Ų931 Ų316%0.06317%0.165CC..SBendtrans-84.1153.8166.760.50000110.4F165 Q190 I192 A249F165-S247 WeakPolarHBondContact CE1-O 3.39Å; Q190-S247 PolarHBondContact O-OG 3.32Å; I192-S247 PolarHBondContact N-OG 2.86Å; I192-S247 PolarHBondContact O-N 3.22Å; S247-A249 VanDerWaalsContact C-N 3.29Å; S247-A249 PolarHBondContact O-N 2.77Å
248N93.4Very high95.3Very high13 Ų1330.2 Ų30.27%0.0716%0.162CC..SBendtrans49.448.7-179.8-70.1-73.7000112.7Q190 L191 W250 L251Q190-N248 PolarHBondContact O-ND2 2.75Å; L191-N248 HydrophobicContact CD2-CB 4.22Å; N248-W250 PolarHBondContact O-N 3.29Å; N248-W250 PolarHBondContact OD1-NE1 3.35Å; N248-L251 HydrophobicContact CB-CD1 4.08Å; N248-L251 WeakPolarHBondContact O-CB 3.5Å; N248-L251 PolarHBondContact O-N 3.49Å
249A94.1Very high95.3Very high3 Ų324.2 Ų24.23%0.02513%0.134CC..G310 helixtrans-58.4-23.2-175.900000113.9F120 I128 V246 S247 L251 L252F120-A249 HydrophobicContact CB-CB 4.36Å; F120-A249 HydrophobicContact CD1-CB 3.62Å; F120-A249 HydrophobicContact CD2-CB 4.24Å; F120-A249 WeakPolarHBondContact CD2-O 3.4Å; F120-A249 HydrophobicContact CE1-CB 3.81Å; F120-A249 HydrophobicContact CE2-CB 4.4Å; F120-A249 WeakPolarHBondContact CE2-O 3.09Å; F120-A249 HydrophobicContact CG-CB 3.83Å; F120-A249 HydrophobicContact CZ-CB 4.17Å; I128-A249 HydrophobicContact CB-CB 3.71Å; I128-A249 HydrophobicContact CG1-CB 3.85Å; I128-A249 HydrophobicContact CG2-CB 4.13Å; V246-A249 HydrophobicContact CG2-CB 3.89Å; S247-A249 VanDerWaalsContact C-N 3.29Å; S247-A249 PolarHBondContact O-N 2.77Å; A249-L251 PolarHBondContact O-N 2.94Å; A249-L251 VanDerWaalsContact O-N 3.12Å; A249-L252 WeakPolarHBondContact O-CB 3.42Å; A249-L252 PolarHBondContact O-N 3.4Å
250W91.9Very high95.4Very high45 Ų4524.6 Ų24.617%0.1712%0.124CC..G310 helixtrans-62.8-13.3172.570.5-89.7000114.3F120 K122 Y167 P184 V186 N248F120-W250 HydrophobicContact CB-CB 3.99Å; K122-W250 HydrophobicContact CG-CB 4.43Å; K122-W250 HydrophobicContact CG-CD2 4.42Å; K122-W250 HydrophobicContact CG-CE3 4.24Å; Y167-W250 HydrophobicContact CD2-CH2 4.37Å; Y167-W250 HydrophobicContact CD2-CZ3 4.23Å; Y167-W250 HydrophobicContact CE2-CH2 4.49Å; Y167-W250 HydrophobicContact CE2-CZ3 4.45Å; P184-W250 HydrophobicContact CB-CH2 3.57Å; P184-W250 HydrophobicContact CB-CZ2 4Å; P184-W250 HydrophobicContact CB-CZ3 4.18Å; P184-W250 HydrophobicContact CG-CH2 3.94Å; P184-W250 HydrophobicContact CG-CZ3 4.03Å; V186-W250 HydrophobicContact CG1-CH2 3.39Å; V186-W250 HydrophobicContact CG1-CZ2 3.9Å; V186-W250 HydrophobicContact CG1-CZ3 4.45Å; N248-W250 PolarHBondContact O-N 3.29Å; N248-W250 PolarHBondContact OD1-NE1 3.35Å
251L93.6Very high95.5Very high3 Ų324.4 Ų24.42%0.01612%0.123CC..G310 helixtrans-96.9-2.8171-68.2172.5000112.8F165 R166 Y167 V186 A189 L191 W218 N248 A249 D253F165-L251 CarbonylContact C-O 3.56Å; F165-L251 WeakPolarHBondContact CA-O 3.07Å; F165-L251 HydrophobicContact CB-CB 4.37Å; F165-L251 HydrophobicContact CD1-CB 4.17Å; R166-L251 PolarHBondContact N-O 2.92Å; Y167-L251 HydrophobicContact CD2-CD2 3.8Å; Y167-L251 HydrophobicContact CG-CD2 4.3Å; V186-L251 HydrophobicContact CG1-CD1 4.25Å; V186-L251 HydrophobicContact CG1-CD2 4.29Å; A189-L251 HydrophobicContact CB-CD1 4.27Å; L191-L251 HydrophobicContact CD2-CD1 3.81Å; W218-L251 HydrophobicContact CE3-CD1 4.46Å; W218-L251 HydrophobicContact CZ3-CD1 3.86Å; W218-L251 HydrophobicContact CZ3-CD2 4.19Å; W218-L251 HydrophobicContact CZ3-CG 4.48Å; N248-L251 HydrophobicContact CB-CD1 4.08Å; N248-L251 WeakPolarHBondContact O-CB 3.5Å; N248-L251 PolarHBondContact O-N 3.49Å; A249-L251 PolarHBondContact O-N 2.94Å; A249-L251 VanDerWaalsContact O-N 3.12Å; L251-D253 PolarHBondContact O-N 3.3Å
252L95.1Very high95.5Very high10 Ų1024.1 Ų24.15%0.05212%0.121CC..BIsolated β-bridgetrans-67.2131.1-176.4-167.668.8000110.1I114 F120 I130 T163 F165 V246 A249 Q254 T259I114-L252 HydrophobicContact CD1-CD2 3.43Å; I114-L252 VanDerWaalsContact CD1-CD2 3.43Å; I114-L252 HydrophobicContact CD1-CG 3.92Å; F120-L252 HydrophobicContact CE2-CB 4.31Å; F120-L252 HydrophobicContact CE2-CD2 4.29Å; F120-L252 HydrophobicContact CZ-CD2 4.16Å; I130-L252 HydrophobicContact CD1-CD1 4.35Å; I130-L252 HydrophobicContact CD1-CD2 3.72Å; I130-L252 HydrophobicContact CG1-CD2 3.84Å; I130-L252 HydrophobicContact CG2-CD2 4.3Å; T163-L252 HydrophobicContact CG2-CD1 4.14Å; F165-L252 HydrophobicContact CD1-CD1 4.37Å; F165-L252 HydrophobicContact CE1-CD1 4.12Å; F165-L252 HydrophobicContact CZ-CD1 4.42Å; V246-L252 HydrophobicContact CG2-CD1 4.39Å; V246-L252 HydrophobicContact CG2-CD2 4.27Å; A249-L252 WeakPolarHBondContact O-CB 3.42Å; A249-L252 PolarHBondContact O-N 3.4Å; L252-Q254 PolarHBondContact O-N 3.42Å; L252-T259 HydrophobicContact CD1-CG2 4.13Å; L252-T259 HydrophobicContact CD2-CG2 4.38Å; L252-T259 HydrophobicContact CG-CG2 4.3Å
253D95.4Very high95.5Very high7 Ų724.1 Ų24.14%0.03712%0.121CC..  trans-72.8127.1175.9-163.5-3.2000110C164 R166 M225 L251 E255 T259C164-D253 HydrophobicContact CB-CB 3.92Å; C164-D253 WeakPolarHBondContact O-CB 3.5Å; C164-D253 PolarHBondContact O-N 2.94Å; R166-D253 HydrophobicContact CB-CB 4.16Å; R166-D253 IonicContact CZ-OD1 3.8Å; R166-D253 IonicContact CZ-OD2 3.15Å; R166-D253 IonicContact NE-OD1 3.59Å; R166-D253 PolarHBondContact NE-OD1 3.23Å; R166-D253 IonicContact NE-OD2 3.92Å; R166-D253 IonicContact NH1-OD1 2.75Å; R166-D253 IonicContact NH1-OD2 4Å; R166-D253 IonicContact NH2-OD1 3.32Å; R166-D253 PolarHBondContact NH2-OD1 3.29Å; R166-D253 IonicContact NH2-OD2 2.69Å; M225-D253 VanDerWaalsContact CE-OD2 3.24Å; M225-D253 WeakPolarHBondContact CE-OD2 3.33Å; L251-D253 PolarHBondContact O-N 3.3Å; D253-E255 VanDerWaalsContact C-N 3.31Å; D253-E255 PolarHBondContact OD1-N 2.88Å; D253-T259 WeakPolarHBondContact O-CB 3.3Å; D253-T259 PolarHBondContact O-OG1 2.77Å
254Q94.4Very high95.4Very high66 Ų6626.5 Ų26.531%0.30814%0.135SC..  trans-872.3-177.3-63.3-169.41.200113.3I114 A116 Q118 L252I114-Q254 WeakPolarHBondContact CG2-O 3.42Å; A116-Q254 HydrophobicContact CB-CB 4.1Å; Q118-Q254 PolarHBondContact O-NE2 3.38Å; L252-Q254 PolarHBondContact O-N 3.42Å
255E94.2Very high95.4Very high94 Ų9427.7 Ų27.744%0.43914%0.141SC..  trans-78133.9174.6-70.8-174.8-143.600112.3R166 D253 E257 G258 T259R166-E255 IonicContact CZ-OE1 3.43Å; R166-E255 IonicContact NH1-OE1 2.79Å; R166-E255 PolarHBondContact NH1-OE1 3.1Å; R166-E255 IonicContact NH2-OE1 2.71Å; R166-E255 PolarHBondContact NH2-OE1 3.03Å; R166-E255 VanDerWaalsContact NH2-OE1 3.15Å; D253-E255 VanDerWaalsContact C-N 3.31Å; D253-E255 PolarHBondContact OD1-N 2.88Å; E255-E257 VanDerWaalsContact C-N 3.27Å; E255-E257 PolarHBondContact O-N 2.99Å; E255-G258 PolarHBondContact O-N 2.81Å; E255-G258 VanDerWaalsContact O-N 3.07Å; E255-T259 PolarHBondContact O-N 2.82Å
256A93.2Very high95Very high42 Ų4236.4 Ų36.435%0.34717%0.173SC..THydrogen-bonded Turntrans-63.6-30.9-173.800000112.9P113 G258P113-A256 HydrophobicContact CB-CB 3.64Å; A256-G258 VanDerWaalsContact C-N 3.34Å
257E91.7Very high94.5Very high136 Ų13637.5 Ų37.564%0.63618%0.184SC*.THydrogen-bonded Turntrans-76-26177.9-57.579.4-175.700112.2K162 E255K162-E257 PolarHBondContact NZ-O 3.19Å; E255-E257 VanDerWaalsContact C-N 3.27Å; E255-E257 PolarHBondContact O-N 2.99Å
258G89.3Confident93.9Very high7 Ų745.1 Ų45.17%0.07222%0.224CC..THydrogen-bonded Turntrans-84.6-42.7-179.800000112.6K162 C164 E255 A256K162-G258 WeakPolarHBondContact CD-O 3.46Å; K162-G258 WeakPolarHBondContact CE-O 3.4Å; K162-G258 WeakPolarHBondContact CG-O 3.4Å; C164-G258 PolarHBondContact N-O 2.92Å; C164-G258 PolarHBondContact SG-O 3.32Å; E255-G258 PolarHBondContact O-N 2.81Å; E255-G258 VanDerWaalsContact O-N 3.07Å; A256-G258 VanDerWaalsContact C-N 3.34Å
259T97.7Very high93.9Very high0 Ų046.7 Ų46.70%023%0.232CC..SBendtrans-129.8112.2-170.9-58.20000112I114 W132 K162 T163 C164 L252 D253 E255I114-T259 HydrophobicContact CB-CG2 3.97Å; I114-T259 HydrophobicContact CD1-CG2 4Å; I114-T259 HydrophobicContact CG1-CG2 4.47Å; I114-T259 HydrophobicContact CG2-CG2 4.47Å; I114-T259 PolarHBondContact N-O 2.91Å; W132-T259 HydrophobicContact CH2-CG2 3.98Å; W132-T259 HydrophobicContact CZ3-CG2 3.88Å; K162-T259 CarbonylContact O-C 3.55Å; K162-T259 WeakPolarHBondContact O-CA 3.39Å; T163-T259 HydrophobicContact CG2-CG2 3.97Å; C164-T259 PolarHBondContact N-OG1 3.09Å; L252-T259 HydrophobicContact CD1-CG2 4.13Å; L252-T259 HydrophobicContact CD2-CG2 4.38Å; L252-T259 HydrophobicContact CG-CG2 4.3Å; D253-T259 WeakPolarHBondContact O-CB 3.3Å; D253-T259 PolarHBondContact O-OG1 2.77Å; E255-T259 PolarHBondContact O-N 2.82Å
260Y98.4Very high93.9Very high45 Ų4549 Ų4918%0.17624%0.243CC..EExtended strand (participates in β ladder)trans-152.9160.2-179.356.5-104.7000112.5H111 L112 W132 Y160 K162H111-Y260 AromaticContact CE1-CD2 3.48Å; H111-Y260 VanDerWaalsContact CE1-CD2 3.48Å; H111-Y260 WeakPolarHBondContact CE1-CD2 3.46Å; H111-Y260 AromaticContact CE1-CG 3.59Å; H111-Y260 AromaticContact NE2-CG 3.97Å; L112-Y260 CarbonylContact O-C 3.52Å; L112-Y260 VanDerWaalsContact O-CA 3.31Å; L112-Y260 WeakPolarHBondContact O-CA 3.29Å; W132-Y260 VanDerWaalsContact CZ3-CA 3.48Å; Y160-Y260 HydrophobicContact CD2-CD2 4.35Å; Y160-Y260 HydrophobicContact CD2-CE2 4.13Å; Y160-Y260 HydrophobicContact CE2-CD2 4.08Å; Y160-Y260 HydrophobicContact CE2-CE2 4.09Å; K162-Y260 HydrophobicContact CB-CD1 4.4Å; K162-Y260 HydrophobicContact CB-CD2 4.14Å; K162-Y260 HydrophobicContact CB-CE1 4.02Å; K162-Y260 HydrophobicContact CB-CE2 3.7Å; K162-Y260 HydrophobicContact CB-CG 4.47Å; K162-Y260 HydrophobicContact CD-CD1 4.43Å; K162-Y260 HydrophobicContact CD-CE1 3.57Å; K162-Y260 WeakPolarHBondContact CD-OH 3.38Å; K162-Y260 HydrophobicContact CG-CE1 4.42Å; K162-Y260 PolarHBondContact N-O 3.15Å; K162-Y260 PolarHBondContact O-N 3.14Å
261F98.5Very high94Very high0 Ų049.2 Ų49.20%025%0.247CC..EExtended strand (participates in β ladder)trans-140.1141.9-179.3168.1-124.9000110.9L112 W132 L149 V159 Y160 V161 L242 V244L112-F261 PolarHBondContact N-O 3.03Å; L112-F261 PolarHBondContact O-N 2.79Å; W132-F261 HydrophobicContact CD2-CB 3.94Å; W132-F261 HydrophobicContact CE3-CB 4.09Å; W132-F261 HydrophobicContact CH2-CB 3.64Å; W132-F261 HydrophobicContact CZ2-CB 3.43Å; W132-F261 VanDerWaalsContact CZ2-CB 3.43Å; W132-F261 HydrophobicContact CZ2-CG 4.2Å; W132-F261 HydrophobicContact CZ3-CB 3.97Å; W132-F261 AromaticContact NE1-CD1 3.85Å; L149-F261 HydrophobicContact CB-CE1 3.68Å; L149-F261 HydrophobicContact CB-CZ 4.33Å; L149-F261 HydrophobicContact CD2-CE1 3.84Å; L149-F261 HydrophobicContact CD2-CZ 3.97Å; L149-F261 HydrophobicContact CG-CE1 4.42Å; V159-F261 HydrophobicContact CG1-CE2 3.69Å; V159-F261 HydrophobicContact CG1-CZ 4.37Å; Y160-F261 VanDerWaalsContact O-CD2 3.31Å; Y160-F261 WeakPolarHBondContact O-CD2 3.45Å; V161-F261 HydrophobicContact CB-CD2 4.04Å; V161-F261 HydrophobicContact CG2-CB 4.24Å; V161-F261 HydrophobicContact CG2-CD2 4.31Å; L242-F261 HydrophobicContact CB-CE1 4.3Å; L242-F261 HydrophobicContact CB-CZ 3.67Å; L242-F261 HydrophobicContact CD1-CZ 4.19Å; V244-F261 HydrophobicContact CG2-CB 4.23Å; V244-F261 HydrophobicContact CG2-CD1 4.1Å; V244-F261 HydrophobicContact CG2-CD2 3.72Å; V244-F261 HydrophobicContact CG2-CE1 4.45Å; V244-F261 HydrophobicContact CG2-CE2 4.12Å; V244-F261 HydrophobicContact CG2-CG 3.74Å; V244-F261 HydrophobicContact CG2-CZ 4.49Å
262G98.3Very high94.1Very high0 Ų051.9 Ų51.90%026%0.26CS..EExtended strand (participates in β ladder)trans-161.4171.9178.300000114.9A110 Y160A110-G262 CarbonylContact O-C 3.49Å; A110-G262 WeakPolarHBondContact O-CA 3.34Å; Y160-G262 PolarHBondContact N-O 2.7Å; Y160-G262 PolarHBondContact O-N 3.07Å; Y160-G262 VanDerWaalsContact O-O 3.1Å
263A98.4Very high94Very high0 Ų054.6 Ų54.60%027%0.273CS..EExtended strand (participates in β ladder)trans-148.9145.9175.500000109.9S109 A110 M142 L149 Y157 Y158 V159 L242S109-A263 CarbonylContact C-O 3.49Å; S109-A263 VanDerWaalsContact CA-O 3.26Å; S109-A263 WeakPolarHBondContact CA-O 3.49Å; A110-A263 PolarHBondContact N-O 2.96Å; A110-A263 PolarHBondContact O-N 3.41Å; M142-A263 HydrophobicContact CE-CB 4.15Å; M142-A263 HydrophobicContact SD-CB 4.39Å; L149-A263 HydrophobicContact CD2-CB 3.91Å; Y157-A263 HydrophobicContact CD1-CB 4.21Å; Y158-A263 CarbonylContact O-C 3.58Å; Y158-A263 VanDerWaalsContact O-CA 3.27Å; Y158-A263 WeakPolarHBondContact O-CA 3.47Å; V159-A263 HydrophobicContact CG2-CB 4.07Å; L242-A263 HydrophobicContact CD1-CB 4.21Å
264V97.9Very high93.9Very high54 Ų5457.7 Ų57.733%0.32729%0.289SS..EExtended strand (participates in β ladder)trans-134.3129.4173.1-1800000108.3Y157 Y158 Y160 W266Y157-V264 CarbonylContact C-O 3.58Å; Y157-V264 WeakPolarHBondContact CA-O 3.49Å; Y158-V264 PolarHBondContact N-O 2.89Å; Y158-V264 PolarHBondContact O-N 2.77Å; Y160-V264 HydrophobicContact CE1-CG2 4.45Å; V264-W266 PolarHBondContact O-N 3.14Å
265K97.1Very high93.9Very high26 Ų2657.1 Ų57.111%0.11329%0.288CS..EExtended strand (participates in β ladder)trans-64.6124.2173.5-175.8171171.9174.80108.5T107 P108 E153 S154 L156 Y157 N268T107-K265 HydrophobicContact CG2-CB 3.72Å; T107-K265 HydrophobicContact CG2-CG 4.41Å; T107-K265 WeakPolarHBondContact CG2-O 3.24Å; P108-K265 HydrophobicContact CB-CB 4.03Å; P108-K265 HydrophobicContact CB-CD 4.42Å; P108-K265 HydrophobicContact CG-CB 4.22Å; P108-K265 HydrophobicContact CG-CD 3.82Å; P108-K265 PolarHBondContact O-N 2.97Å; E153-K265 IonicContact OE2-NZ 3.06Å; E153-K265 PolarHBondContact OE2-NZ 2.79Å; S154-K265 WeakPolarHBondContact O-CE 2.98Å; S154-K265 PolarHBondContact O-NZ 3Å; L156-K265 CarbonylContact O-C 3.57Å; Y157-K265 HydrophobicContact CD1-CB 4.04Å; Y157-K265 HydrophobicContact CE1-CB 3.65Å; Y157-K265 HydrophobicContact CE1-CG 4.45Å; Y157-K265 HydrophobicContact CE2-CB 4.33Å; Y157-K265 HydrophobicContact CE2-CD 4.35Å; Y157-K265 HydrophobicContact CE2-CG 4.27Å; K265-N268 WeakPolarHBondContact CE-OD1 3.31Å; K265-N268 PolarHBondContact NZ-OD1 3.13Å; K265-N268 VanDerWaalsContact NZ-OD1 3.12Å
266W89.4Confident93.9Very high204 Ų20454.3 Ų54.377%0.77328%0.276SS*.EExtended strand (participates in β ladder)trans-99-32.7-179-176.6-81.8000111.8L156 V264L156-W266 PolarHBondContact O-N 2.88Å; V264-W266 PolarHBondContact O-N 3.14Å
267G87.3Confident93.9Very high24 Ų2455.3 Ų55.325%0.24727%0.27CS..EExtended strand (participates in β ladder)trans-171.1-175.2-177.900000112.8G155 L156G155-G267 WeakPolarHBondContact CA-O 3.38Å; L156-G267 PolarHBondContact N-O 3.04Å; L156-G267 PolarHBondContact O-N 2.81Å
268N83.1Confident94.1Very high168 Ų16848 Ų4890%0.89824%0.237SC*.  trans-103.40172.6-67.1-19.9000110.3K265K265-N268 WeakPolarHBondContact CE-OD1 3.31Å; K265-N268 PolarHBondContact NZ-OD1 3.13Å; K265-N268 VanDerWaalsContact NZ-OD1 3.12Å

Retrieved 268 of 268 residues in 605.5 ms (Link to these results)