A0A093I620_STRCA Loading...

Fibroblast growth factor

AlphaFold DB (A0A674GK86), UniProt , Accession A0A093I620, Species STRCA (Struthio camelus australis), Gene n/a, Length 208 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.7Very low37.3Very low256 Ų256153.2 Ų153.2100%1.26187%0.871SS**  0107.40-97.8170167.100107.9
2A38Very low36.7Very low100 Ų100147.1 Ų147.183%0.82687%0.867SS**  trans-146.7144.3166.900000106.9
3P49.9Very low36.3Very low132 Ų132143.9 Ų143.986%0.85785%0.85SS**  trans-101.3166.1-152.936.7-29.6000114.9
4L41.4Very low35.9Very low185 Ų185145.1 Ų145.197%0.96984%0.843SS**  trans-89.9145.7167.8-85.1156.3000111
5G34.6Very low35.5Very low70 Ų70144.9 Ų144.972%0.72284%0.837SS**  trans145130.1171.600000108.8
6E35.4Very low35.3Very low201 Ų201141.9 Ų141.994%0.93983%0.834SS**  cis-154166.538.1-77.7-174.9133.600113.2
7V35.3Very low35.4Very low148 Ų148141.8 Ų141.890%0.89784%0.835SS**  trans-82.8138.4172.6178.30000109.9
8G33Very low35.6Very low78 Ų78140.9 Ų140.980%0.80483%0.834SS**  trans-149.9108.7167.600000110.8
9N31.4Very low35.4Very low141 Ų141144.4 Ų144.475%0.75484%0.838SS**  trans-102.2172.5170.4-1456000109
10Y32.4Very low35.3Very low194 Ų194140.8 Ų140.876%0.76183%0.833SS**  trans116.197.9162.9-64.9-89.8000118.4
11F30.9Very low35.4Very low180 Ų180141.8 Ų141.879%0.78984%0.835SS**  trans62.5122.8136.3-73.6-97.6000123.2V13F11-V13 HydrophobicContact CD1-CG2 4.45Å
12G30.3Very low35Very low80 Ų80135.5 Ų135.583%0.82581%0.81SS**  trans-167.397.6153.800000110.4
13V31.2Very low34.9Very low106 Ų106136.2 Ų136.264%0.64281%0.807SS**  trans-80.3137.9175.71780000108.7F11F11-V13 HydrophobicContact CD1-CG2 4.45Å
14Q30.6Very low34.2Very low161 Ų161136.2 Ų136.275%0.75280%0.804SS**  160.6137.799.5-125.5131.134.700104.5
15D30.4Very low33.9Very low142 Ų142134.6 Ų134.676%0.75980%0.796SS**  -164.412567-78.7-45.3000108
16A32.4Very low34.1Very low96 Ų96137 Ų13779%0.79380%0.798SS**  65.4101.382.600000115.3
17V37.5Very low34.3Very low140 Ų140133.7 Ų133.785%0.84879%0.792SS**  trans-124.6136.5160.6-114.70000108.2
18P38.7Very low34.1Very low126 Ų126133.7 Ų133.782%0.81879%0.787SS**  trans-88.5160-161.534.5-35000115.1
19F31.9Very low34.3Very low208 Ų208134.9 Ų134.991%0.91278%0.783SS**  trans-60.5142.7-177.4-75.9-104.7000115.4
20G32.8Very low34.8Very low71 Ų71134 Ų13473%0.73279%0.785SS**  trans-111.6131159.400000110.5
21N37Very low34.8Very low162 Ų162130.9 Ų130.987%0.86679%0.785SS**PPolyproline II helixtrans-56.6135-166.6-69.7-25.5000116.6
22V40.7Very low35.3Very low124 Ų124129.8 Ų129.875%0.75279%0.787SS**PPolyproline II helixtrans-100.8126.3160.6-176.10000107.8V24V22-V24 PolarHBondContact O-N 3.42Å
23P34.6Very low35.4Very low115 Ų115133.7 Ų133.775%0.74779%0.788SS**PPolyproline II helixtrans-77.6116.7170.8-118000109.4
24V35.4Very low35.5Very low133 Ų133132.9 Ų132.981%0.80679%0.787SS**PPolyproline II helixtrans-75.2121.3166.2177.30000107.8V22V22-V24 PolarHBondContact O-N 3.42Å
25L36.4Very low35.9Very low151 Ų151131.7 Ų131.779%0.79179%0.786SS**PPolyproline II helixtrans-94.6133.8167.8-68.4176.4000109.2
26P36.8Very low36Very low120 Ų120134.4 Ų134.478%0.77979%0.794SS**PPolyproline II helixtrans-77.3140.2-179.830.7-30.6000111
27V41.1Very low36.2Very low131 Ų131138 Ų13879%0.79480%0.798SS**PPolyproline II helixtrans-86.1123.1165.3170.70000107.3
28D31.3Very low35.9Very low148 Ų148134.2 Ų134.279%0.79179%0.788SS**  trans-169.7110.9142.8-96.3-30.6000112.8
29S35.9Very low36.2Very low104 Ų104137.8 Ų137.873%0.72779%0.794SS**  trans66.9155.2135.2-64.60000122.4
30P42.3Very low36.4Very low122 Ų122133 Ų13379%0.79279%0.786SS**  trans-97.6145.5-141.737-32.8000113.8
31V32.6Very low37Very low128 Ų128138.9 Ų138.978%0.77680%0.795SS**  trans-118108.2167.6-174.90000109.1L33V31-L33 HydrophobicContact CG1-CD1 4.17Å; V31-L33 HydrophobicContact CG1-CG 4.37Å; V31-L33 PolarHBondContact O-N 3.35Å
32L40.8Very low37.2Very low158 Ų158135.5 Ų135.583%0.82779%0.789SS**  trans-62.2117.5163.1-119.2145.3000108.4
33L32.8Very low37Very low161 Ų161133 Ų13384%0.84379%0.789SS**  trans-134.8101.9163.9-95.1160.5000108.9V31V31-L33 HydrophobicContact CG1-CD1 4.17Å; V31-L33 HydrophobicContact CG1-CG 4.37Å; V31-L33 PolarHBondContact O-N 3.35Å
34S34Very low37.3Very low89 Ų89131.1 Ų131.162%0.62279%0.79SS**  trans-63.6152.8170.3-54.80000112.2
35D38.7Very low38.1Very low136 Ų136132.4 Ų132.473%0.72779%0.791SS**  trans39.899148.7-76.9-23.3000118.9
36H33.3Very low38.5Very low199 Ų199130.3 Ų130.392%0.92179%0.787SS**  trans-13891.7134.4-84.4-59.9000109.8G38H36-G38 PolarHBondContact O-N 3.07Å
37L35.2Very low39.3Very low171 Ų171136.7 Ų136.790%0.89580%0.795SS**  trans-62.386.3158-87.4161.1000108.6
38G32.1Very low39.7Very low61 Ų61131.7 Ų131.763%0.62977%0.77SS**  trans-88.7115161.500000109H36 S40H36-G38 PolarHBondContact O-N 3.07Å; G38-S40 PolarHBondContact O-N 3.47Å; G38-S40 VanDerWaalsContact O-N 3.11Å
39Q44.3Very low41Very low201 Ų201130 Ų13094%0.93977%0.767SS**  trans-43.7115167.3-75.7163.3-13.200110.3
40S36.4Very low42.1Very low107 Ų107128.5 Ų128.575%0.74876%0.762SS**  trans-117.3101.3158.747.10000107.3G38 A42G38-S40 PolarHBondContact O-N 3.47Å; G38-S40 VanDerWaalsContact O-N 3.11Å; S40-A42 PolarHBondContact O-N 3.04Å
41E46Very low42.7Very low196 Ų196126.8 Ų126.892%0.91675%0.749SS**  trans-64.683.9158.2-66.4-159.9118.900107.6G43E41-G43 PolarHBondContact O-N 3.39Å
42A40.5Very low44.2Very low90 Ų90125.3 Ų125.374%0.74474%0.74SS**  trans-75.9104.1166.400000107.2S40 G44S40-A42 PolarHBondContact O-N 3.04Å; A42-G44 PolarHBondContact O-N 2.86Å; A42-G44 VanDerWaalsContact O-N 3.12Å
43G37.5Very low45.4Very low73 Ų73121.8 Ų121.875%0.75372%0.722SS**  trans-43.4116.417800000111.9E41 L45E41-G43 PolarHBondContact O-N 3.39Å; G43-L45 PolarHBondContact O-N 3.31Å; G43-L45 VanDerWaalsContact O-N 3.14Å
44G39.5Very low47.3Very low74 Ų74118.8 Ų118.876%0.76371%0.706SS**PPolyproline II helixtrans-59.6116.2166.500000108.5A42A42-G44 PolarHBondContact O-N 2.86Å; A42-G44 VanDerWaalsContact O-N 3.12Å
45L52.5Low49.1Very low161 Ų161118.7 Ų118.784%0.84370%0.699SS**PPolyproline II helixtrans-49.1133.9162.8-72.8163.4000107.7G43 R47G43-L45 PolarHBondContact O-N 3.31Å; G43-L45 VanDerWaalsContact O-N 3.14Å; L45-R47 PolarHBondContact O-N 3.36Å
46P44.9Very low50.7Low107 Ų107116.2 Ų116.270%0.69568%0.682SS**PPolyproline II helixtrans-59.7118.717523.7-29.4000107.2G48P46-G48 PolarHBondContact O-N 3.47Å
47R53.2Low52.5Low254 Ų254110.7 Ų110.796%0.95866%0.66SS**  trans-66.871.9161.3-83.9-176.9170.5159.4-2.2107.3L45L45-R47 PolarHBondContact O-N 3.36Å
48G50Low54.4Low26 Ų26106.8 Ų106.827%0.26864%0.635SS.*  trans-88.1165.7176.200000111.3P46 A50 V51P46-G48 PolarHBondContact O-N 3.47Å; G48-A50 PolarHBondContact O-N 3.1Å; G48-A50 VanDerWaalsContact O-N 3.08Å; G48-V51 PolarHBondContact O-N 2.75Å
49P58.7Low56.3Low111 Ų111104.2 Ų104.272%0.72161%0.608SS**Hα-helixtrans-58.1-21.5178.521.9-32.3000113.9V51 T52 D53P49-V51 VanDerWaalsContact C-N 3.35Å; P49-V51 PolarHBondContact O-N 3.47Å; P49-T52 WeakPolarHBondContact CA-OG1 3.38Å; P49-T52 PolarHBondContact O-N 3.23Å; P49-T52 PolarHBondContact O-OG1 3.41Å; P49-D53 WeakPolarHBondContact O-CB 3.4Å; P49-D53 PolarHBondContact O-N 3.08Å; P49-D53 VanDerWaalsContact O-N 3.1Å
50A58.2Low57.7Low74 Ų7495.7 Ų95.761%0.61257%0.569SS**Hα-helixtrans-66.4-29.9179.200000114.2G48 L54G48-A50 PolarHBondContact O-N 3.1Å; G48-A50 VanDerWaalsContact O-N 3.08Å; A50-L54 PolarHBondContact O-N 3.12Å
51V56.4Low59.9Low86 Ų8696.2 Ų96.252%0.52156%0.563SS.*Hα-helixtrans-75.8-40.3179.4-175.40000110.5G48 P49 D53 D55G48-V51 PolarHBondContact O-N 2.75Å; P49-V51 VanDerWaalsContact C-N 3.35Å; P49-V51 PolarHBondContact O-N 3.47Å; V51-D53 VanDerWaalsContact C-N 3.28Å; V51-D53 PolarHBondContact O-N 2.75Å; V51-D55 PolarHBondContact O-N 3.22Å
52T63.8Low61.9Low97 Ų9792.5 Ų92.560%0.59554%0.54SS*.Hα-helixtrans-65.6-32.7174.7450000112.2P49 H56P49-T52 WeakPolarHBondContact CA-OG1 3.38Å; P49-T52 PolarHBondContact O-N 3.23Å; P49-T52 PolarHBondContact O-OG1 3.41Å; T52-H56 VanDerWaalsContact O-CB 3.24Å; T52-H56 WeakPolarHBondContact O-CB 3.49Å; T52-H56 PolarHBondContact O-N 2.88Å
53D66.3Low64.5Low83 Ų8389.1 Ų89.144%0.44451%0.508SS..Hα-helixtrans-71.5-40.8-179.1-160.925.5000112.3P49 V51 D55 H56 L57P49-D53 WeakPolarHBondContact O-CB 3.4Å; P49-D53 PolarHBondContact O-N 3.08Å; P49-D53 VanDerWaalsContact O-N 3.1Å; V51-D53 VanDerWaalsContact C-N 3.28Å; V51-D53 PolarHBondContact O-N 2.75Å; D53-D55 PolarHBondContact O-N 3Å; D53-H56 PolarHBondContact O-N 3.36Å; D53-L57 WeakPolarHBondContact O-CB 3.48Å; D53-L57 PolarHBondContact O-N 3.14Å
54L72Confident67.4Low98 Ų9889.9 Ų89.951%0.51349%0.489SS..Hα-helixtrans-65-39.5174.3-178.961.6000112.3A50 L57 K58A50-L54 PolarHBondContact O-N 3.12Å; L54-L57 PolarHBondContact O-N 3.16Å; L54-K58 WeakPolarHBondContact O-CG 3.23Å; L54-K58 PolarHBondContact O-N 3.29Å
55D72.8Confident70.2Confident87 Ų8786.4 Ų86.447%0.46545%0.452SS..Hα-helixtrans-72.1-34.6177.7-73.7-21000112V51 D53 K58 G59V51-D55 PolarHBondContact O-N 3.22Å; D53-D55 PolarHBondContact O-N 3Å; D55-K58 PolarHBondContact O-N 3.17Å; D55-K58 IonicContact OD1-NZ 2.88Å; D55-K58 PolarHBondContact OD1-NZ 3.19Å; D55-G59 PolarHBondContact O-N 3.13Å; D55-G59 VanDerWaalsContact O-N 3.07Å
56H70.4Confident72.4Confident84 Ų8478.7 Ų78.739%0.38941%0.412SS..Hα-helixtrans-62.8-44.5170.2-174.1-138.1000111.5T52 D53 K58 G59 I60T52-H56 VanDerWaalsContact O-CB 3.24Å; T52-H56 WeakPolarHBondContact O-CB 3.49Å; T52-H56 PolarHBondContact O-N 2.88Å; D53-H56 PolarHBondContact O-N 3.36Å; H56-K58 PolarHBondContact O-N 3.11Å; H56-G59 WeakPolarHBondContact O-CA 3.47Å; H56-G59 PolarHBondContact O-N 2.96Å; H56-G59 VanDerWaalsContact O-N 3.07Å; H56-I60 WeakPolarHBondContact O-CD1 3.5Å; H56-I60 WeakPolarHBondContact O-CG1 3.38Å; H56-I60 PolarHBondContact O-N 2.83Å
57L71.2Confident75Confident84 Ų8476.7 Ų76.744%0.4439%0.391SS..Hα-helixtrans-60.4-41.1175.5-169.964.7000112.6D53 L54 G59 I60 L61D53-L57 WeakPolarHBondContact O-CB 3.48Å; D53-L57 PolarHBondContact O-N 3.14Å; L54-L57 PolarHBondContact O-N 3.16Å; L57-G59 VanDerWaalsContact C-N 3.31Å; L57-G59 PolarHBondContact O-N 3.41Å; L57-I60 WeakPolarHBondContact O-CB 3.43Å; L57-I60 PolarHBondContact O-N 3.04Å; L57-L61 WeakPolarHBondContact O-CG 3.31Å; L57-L61 PolarHBondContact O-N 2.74Å; L57-L61 VanDerWaalsContact O-N 3.07Å
58K74.8Confident77.1Confident89 Ų8964.6 Ų64.639%0.38735%0.346SS..Hα-helixtrans-62.4-37.9173.2-71.5171.1-164.8153.80112.1L54 D55 H56 L61 R62L54-K58 WeakPolarHBondContact O-CG 3.23Å; L54-K58 PolarHBondContact O-N 3.29Å; D55-K58 PolarHBondContact O-N 3.17Å; D55-K58 IonicContact OD1-NZ 2.88Å; D55-K58 PolarHBondContact OD1-NZ 3.19Å; H56-K58 PolarHBondContact O-N 3.11Å; K58-L61 PolarHBondContact O-N 3.23Å; K58-R62 VanDerWaalsContact O-CG 3.31Å; K58-R62 WeakPolarHBondContact O-CG 3.41Å; K58-R62 PolarHBondContact O-N 3.43Å
59G72.9Confident79.4Confident6 Ų669 Ų696%0.06235%0.354CS..Hα-helixtrans-61.9-45174.200000112D55 H56 L57 L61 R62 R63 E96D55-G59 PolarHBondContact O-N 3.13Å; D55-G59 VanDerWaalsContact O-N 3.07Å; H56-G59 WeakPolarHBondContact O-CA 3.47Å; H56-G59 PolarHBondContact O-N 2.96Å; H56-G59 VanDerWaalsContact O-N 3.07Å; L57-G59 VanDerWaalsContact C-N 3.31Å; L57-G59 PolarHBondContact O-N 3.41Å; G59-L61 PolarHBondContact O-N 3.05Å; G59-R62 CarbonylContact O-C 3.51Å; G59-R62 WeakPolarHBondContact O-CA 3.4Å; G59-R62 WeakPolarHBondContact O-CB 3.49Å; G59-R62 PolarHBondContact O-N 2.98Å; G59-R63 PolarHBondContact O-N 3.07Å; G59-E96 WeakPolarHBondContact CA-OE1 3.45Å
60I74.5Confident81.3Confident22 Ų2265 Ų6511%0.11333%0.328CS..Hα-helixtrans-58.9-45.1177-68.6151.2000111.9H56 L57 R62 R63 Y201 I204H56-I60 WeakPolarHBondContact O-CD1 3.5Å; H56-I60 WeakPolarHBondContact O-CG1 3.38Å; H56-I60 PolarHBondContact O-N 2.83Å; L57-I60 WeakPolarHBondContact O-CB 3.43Å; L57-I60 PolarHBondContact O-N 3.04Å; I60-R62 PolarHBondContact O-N 3.07Å; I60-R62 VanDerWaalsContact O-N 3.07Å; I60-R63 WeakPolarHBondContact O-CB 3.38Å; I60-R63 WeakPolarHBondContact O-CG 3.31Å; I60-R63 PolarHBondContact O-N 3.24Å; I60-Y201 HydrophobicContact CG2-CD1 4.31Å; I60-Y201 HydrophobicContact CG2-CE1 3.74Å; I60-I204 HydrophobicContact CD1-CD1 3.1Å; I60-I204 HydrophobicContact CD1-CG1 3.44Å; I60-I204 VanDerWaalsContact CD1-CG1 3.44Å; I60-I204 HydrophobicContact CD1-CG2 4.32Å; I60-I204 HydrophobicContact CG1-CD1 3.57Å; I60-I204 HydrophobicContact CG1-CG1 4.43Å
61L81.4Confident83.2Confident119 Ų11961.9 Ų61.962%0.62330%0.303SS*.THydrogen-bonded Turntrans-63.6-15.1177.2-66.4172.5000113.4L57 K58 G59 R64L57-L61 WeakPolarHBondContact O-CG 3.31Å; L57-L61 PolarHBondContact O-N 2.74Å; L57-L61 VanDerWaalsContact O-N 3.07Å; K58-L61 PolarHBondContact O-N 3.23Å; G59-L61 PolarHBondContact O-N 3.05Å; L61-R64 PolarHBondContact O-NH1 3.24Å; L61-R64 PolarHBondContact O-NH2 2.98Å
62R88.6Confident85.2Confident117 Ų11758.5 Ų58.544%0.44228%0.281SS..THydrogen-bonded Turntrans-102.58.8178.3-65.3174178.8-176.3-1.9113.3K58 G59 I60 F97K58-R62 VanDerWaalsContact O-CG 3.31Å; K58-R62 WeakPolarHBondContact O-CG 3.41Å; K58-R62 PolarHBondContact O-N 3.43Å; G59-R62 CarbonylContact O-C 3.51Å; G59-R62 WeakPolarHBondContact O-CA 3.4Å; G59-R62 WeakPolarHBondContact O-CB 3.49Å; G59-R62 PolarHBondContact O-N 2.98Å; I60-R62 PolarHBondContact O-N 3.07Å; I60-R62 VanDerWaalsContact O-N 3.07Å; R62-F97 HydrophobicContact CB-CB 4.48Å; R62-F97 WeakPolarHBondContact CB-O 3.41Å; R62-F97 WeakPolarHBondContact CD-O 3.45Å; R62-F97 PolarHBondContact O-N 3.49Å
63R95.8Very high86.9Confident19 Ų1954 Ų547%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-70.5129172.5-68.1176.8179.9-172.8-1.6110.8G59 I60 I94 L95 V110 V192 L200 Y201G59-R63 PolarHBondContact O-N 3.07Å; I60-R63 WeakPolarHBondContact O-CB 3.38Å; I60-R63 WeakPolarHBondContact O-CG 3.31Å; I60-R63 PolarHBondContact O-N 3.24Å; R63-I94 HydrophobicContact CB-CG2 4.47Å; R63-L95 CarbonylContact C-O 3.59Å; R63-L95 VanDerWaalsContact CA-O 3.25Å; R63-L95 WeakPolarHBondContact CA-O 3.46Å; R63-V110 HydrophobicContact CG-CG2 4.05Å; R63-V192 HydrophobicContact CB-CG2 4.28Å; R63-L200 PolarHBondContact NH1-O 3.42Å; R63-L200 PolarHBondContact NH2-O 2.76Å; R63-Y201 VanDerWaalsContact CD-OH 3.23Å; R63-Y201 WeakPolarHBondContact CD-OH 3.41Å; R63-Y201 VanDerWaalsContact NH1-CE1 3.31Å; R63-Y201 VanDerWaalsContact NH1-CZ 3.3Å
64R97.6Very high88.5Confident89 Ų8950.1 Ų50.134%0.33623%0.232SC..EExtended strand (participates in β ladder)trans-139.7162-178.6-62.6-64.1-179.9-82.3-2.7109.4L61 L95 F97 P189 R190L61-R64 PolarHBondContact O-NH1 3.24Å; L61-R64 PolarHBondContact O-NH2 2.98Å; R64-L95 PolarHBondContact N-O 3.41Å; R64-L95 PolarHBondContact O-N 3.27Å; R64-L95 VanDerWaalsContact O-O 3.12Å; R64-F97 HydrophobicContact CB-CD2 3.96Å; R64-F97 HydrophobicContact CB-CE2 3.83Å; R64-F97 HydrophobicContact CG-CD2 4.09Å; R64-F97 HydrophobicContact CG-CE2 4.32Å; R64-P189 HydrophobicContact CG-CB 4.36Å; R64-R190 CarbonylContact C-O 3.57Å; R64-R190 VanDerWaalsContact CA-O 3.26Å; R64-R190 WeakPolarHBondContact CA-O 3.43Å; R64-R190 WeakPolarHBondContact CB-O 3.22Å; R64-R190 WeakPolarHBondContact CD-O 3.4Å
65Q98.6Very high89.8Confident1 Ų146 Ų461%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-104.9141160.2-43173.860.300108H73 H89 I94 R190 P191 V192Q65-H73 PolarHBondContact OE1-CD2 2.88Å; Q65-H73 PolarHBondContact OE1-NE2 3.45Å; Q65-H89 PolarHBondContact NE2-CE1 3.33Å; Q65-H89 PolarHBondContact NE2-ND1 2.96Å; Q65-H89 PolarHBondContact NE2-NE2 3.29Å; Q65-I94 HydrophobicContact CG-CD1 3.94Å; Q65-R190 HydrophobicContact CB-CB 4.38Å; Q65-R190 PolarHBondContact N-O 3.09Å; Q65-R190 PolarHBondContact O-N 3.27Å; Q65-P191 PolarHBondContact NE2-O 3.06Å; Q65-P191 VanDerWaalsContact NE2-O 3.1Å; Q65-V192 HydrophobicContact CG-CG2 3.89Å
66L98.4Very high91Very high0 Ų041.9 Ų41.90%019%0.189CC..EExtended strand (participates in β ladder)trans-105.993.8-176.1-16059.7000111H73 L74 L95 F97 I107 Y148 F187 P189L66-H73 WeakPolarHBondContact O-CA 3.47Å; L66-L74 HydrophobicContact CB-CB 4.27Å; L66-L74 HydrophobicContact CD2-CD2 4.35Å; L66-L74 PolarHBondContact O-N 2.89Å; L66-L95 HydrophobicContact CB-CD1 3.72Å; L66-F97 HydrophobicContact CD1-CE2 4.49Å; L66-F97 HydrophobicContact CD1-CZ 3.77Å; L66-F97 HydrophobicContact CD2-CZ 4.26Å; L66-F97 HydrophobicContact CG-CZ 4.5Å; L66-I107 HydrophobicContact CD2-CD1 4Å; L66-Y148 HydrophobicContact CD1-CE2 3.79Å; L66-Y148 HydrophobicContact CD2-CD2 4.22Å; L66-Y148 HydrophobicContact CD2-CE2 4.02Å; L66-Y148 HydrophobicContact CG-CE2 4.38Å; L66-F187 HydrophobicContact CB-CD1 4.5Å; L66-F187 HydrophobicContact CD1-CB 3.81Å; L66-F187 HydrophobicContact CD2-CB 4.35Å; L66-F187 HydrophobicContact CD2-CD1 4.11Å; L66-F187 HydrophobicContact CD2-CG 4.31Å; L66-F187 HydrophobicContact CG-CB 3.79Å; L66-F187 HydrophobicContact CG-CD1 3.7Å; L66-F187 HydrophobicContact CG-CG 4.02Å; L66-P189 HydrophobicContact CD1-CB 4.45Å; L66-P189 HydrophobicContact CD1-CG 4.09Å
67Y98.6Very high92.4Very high64 Ų6440 Ų4025%0.25118%0.179SC..EExtended strand (participates in β ladder)trans-86.6110.7-174.4175.2-98.6000111.7G71 F72 H73 Y145 F187 L188Y67-G71 WeakPolarHBondContact OH-CA 3.34Å; Y67-F72 CarbonylContact C-O 3.55Å; Y67-H73 AromaticContact CD2-CE1 3.95Å; Y67-Y145 HydrophobicContact CD1-CE1 4.5Å; Y67-F187 CarbonylContact O-C 3.46Å; Y67-F187 VanDerWaalsContact O-CA 3.3Å; Y67-F187 WeakPolarHBondContact O-CA 3.37Å; Y67-L188 HydrophobicContact CD1-CB 4.37Å; Y67-L188 PolarHBondContact N-O 2.49Å; Y67-L188 PolarHBondContact O-N 3.24Å
68C98.7Very high93.7Very high0 Ų039.7 Ų39.70%018%0.182CC..EExtended strand (participates in β ladder)trans-68.5141.4170.8-170.30000111T70 G71 F72 L166 F184 H186 F187C68-T70 PolarHBondContact O-N 3.07Å; C68-T70 PolarHBondContact SG-OG1 3.43Å; C68-G71 PolarHBondContact O-N 3.44Å; C68-F72 WeakPolarHBondContact CB-O 3.26Å; C68-F72 PolarHBondContact N-O 2.92Å; C68-L166 HydrophobicContact CB-CB 4.17Å; C68-L166 HydrophobicContact CB-CD1 4.06Å; C68-L166 HydrophobicContact CB-CG 4.48Å; C68-F184 PolarHBondContact SG-O 3.09Å; C68-H186 CarbonylContact C-O 3.51Å; C68-H186 WeakPolarHBondContact CA-O 3.38Å; C68-F187 HydrophobicContact CB-CD1 3.77Å; C68-F187 HydrophobicContact CB-CE1 3.48Å; C68-F187 VanDerWaalsContact CB-CE1 3.48Å; C68-F187 HydrophobicContact CB-CZ 3.98Å
69R98.1Very high94.8Very high120 Ų12041.2 Ų41.245%0.45320%0.195SC..THydrogen-bonded Turntrans-58.9-15175-167.969.2-179.4-178-3.1113.4G71 Y145 K183 H186R69-G71 PolarHBondContact O-N 3.45Å; R69-Y145 HydrophobicContact CB-CD1 4.23Å; R69-Y145 HydrophobicContact CB-CE1 3.75Å; R69-Y145 WeakPolarHBondContact CD-OH 3.27Å; R69-Y145 HydrophobicContact CG-CE1 4.24Å; R69-Y145 VanDerWaalsContact NH1-CZ 3.3Å; R69-Y145 PolarHBondContact NH1-OH 3.07Å; R69-K183 HydrophobicContact CB-CB 4.41Å; R69-K183 WeakPolarHBondContact CB-O 3.34Å; R69-K183 HydrophobicContact CG-CB 4.21Å; R69-K183 HydrophobicContact CG-CG 4.45Å; R69-H186 HydrophobicContact CB-CB 3.9Å; R69-H186 PolarHBondContact N-O 2.77Å
70T98.4Very high96Very high26 Ų2641.7 Ų41.716%0.1620%0.2CC..THydrogen-bonded Turntrans-74.1-7.8171.955.80000114C68 L166 N167 K168 F184C68-T70 PolarHBondContact O-N 3.07Å; C68-T70 PolarHBondContact SG-OG1 3.43Å; T70-L166 WeakPolarHBondContact CG2-O 3.24Å; T70-L166 PolarHBondContact OG1-O 3.4Å; T70-N167 PolarHBondContact OG1-O 3.02Å; T70-K168 HydrophobicContact CG2-CG 4.34Å; T70-F184 HydrophobicContact CG2-CB 3.85Å
71G98.5Very high97.2Very high9 Ų943.4 Ų43.49%0.09321%0.212CC..THydrogen-bonded Turntrans102.922174.800000115Y67 C68 R69 R86Y67-G71 WeakPolarHBondContact OH-CA 3.34Å; C68-G71 PolarHBondContact O-N 3.44Å; R69-G71 PolarHBondContact O-N 3.45Å; G71-R86 PolarHBondContact O-NH1 2.77Å; G71-R86 VanDerWaalsContact O-NH1 3.14Å
72F98.9Very high98Very high14 Ų1437.9 Ų37.96%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-133.9143.2-175.4-60-97.4000111.4Y67 C68 T85 R86 L166 K168 D169Y67-F72 CarbonylContact C-O 3.55Å; C68-F72 WeakPolarHBondContact CB-O 3.26Å; C68-F72 PolarHBondContact N-O 2.92Å; F72-T85 CarbonylContact C-O 3.54Å; F72-T85 WeakPolarHBondContact CA-O 3.49Å; F72-R86 HydrophobicContact CD1-CG 3.8Å; F72-R86 HydrophobicContact CE1-CG 3.69Å; F72-R86 HydrophobicContact CZ-CG 4.33Å; F72-R86 VanDerWaalsContact CZ-NH2 3.33Å; F72-L166 HydrophobicContact CB-CD1 4.03Å; F72-K168 VanDerWaalsContact CE2-O 3.23Å; F72-K168 WeakPolarHBondContact CE2-O 3.39Å; F72-D169 VanDerWaalsContact CZ-C 3.45Å
73H98.9Very high98.5Very high4 Ų436.9 Ų36.92%0.01918%0.183CC..EExtended strand (participates in β ladder)trans-87.4136.1167.2-58.284.8000110.1Q65 L66 Y67 G84 T85 D88 R190Q65-H73 PolarHBondContact OE1-CD2 2.88Å; Q65-H73 PolarHBondContact OE1-NE2 3.45Å; L66-H73 WeakPolarHBondContact O-CA 3.47Å; Y67-H73 AromaticContact CD2-CE1 3.95Å; H73-G84 VanDerWaalsContact O-CA 3.27Å; H73-G84 WeakPolarHBondContact O-CA 3.42Å; H73-T85 HydrophobicContact CB-CG2 4.26Å; H73-T85 PolarHBondContact N-O 3.3Å; H73-T85 PolarHBondContact O-N 3.05Å; H73-D88 IonicContact CE1-OD1 3.73Å; H73-D88 IonicContact NE2-OD1 3.72Å; H73-D88 PolarHBondContact NE2-OD1 3.49Å; H73-R190 PolarHBondContact CE1-NH1 3.22Å; H73-R190 VanDerWaalsContact CE1-NH1 3.33Å; H73-R190 PolarHBondContact NE2-NH1 3.36Å
74L98.9Very high98.6Very high0 Ų036.7 Ų36.70%019%0.187CC..EExtended strand (participates in β ladder)trans-66.9132.2174.6-171.187.5000110.6L66 I82 G93 L95 L116 L166 F187L66-L74 HydrophobicContact CB-CB 4.27Å; L66-L74 HydrophobicContact CD2-CD2 4.35Å; L66-L74 PolarHBondContact O-N 2.89Å; L74-I82 HydrophobicContact CD1-CG2 3.63Å; L74-I82 HydrophobicContact CG-CG2 4.29Å; L74-G93 WeakPolarHBondContact O-CA 3.26Å; L74-L95 HydrophobicContact CB-CD1 4.4Å; L74-L95 HydrophobicContact CD2-CD1 4.13Å; L74-L116 HydrophobicContact CD2-CD1 4.27Å; L74-L116 HydrophobicContact CD2-CD2 3.85Å; L74-L166 HydrophobicContact CB-CD1 4.43Å; L74-L166 HydrophobicContact CD1-CD1 4.18Å; L74-L166 HydrophobicContact CD1-CD2 3.98Å; L74-L166 HydrophobicContact CD1-CG 4.14Å; L74-F187 HydrophobicContact CB-CE1 4.46Å
75E98.9Very high98.7Very high12 Ų1233.7 Ų33.76%0.05618%0.178CC..EExtended strand (participates in β ladder)trans-118.5142.9175.2-64.5-177.4118.500111.5F77 I82 Q83 T85 S90 F92E75-F77 HydrophobicContact CB-CD2 4.14Å; E75-F77 HydrophobicContact CB-CE2 3.65Å; E75-F77 HydrophobicContact CB-CZ 4.46Å; E75-F77 HydrophobicContact CG-CE2 4.45Å; E75-I82 WeakPolarHBondContact O-CA 3.45Å; E75-Q83 PolarHBondContact N-O 2.92Å; E75-Q83 PolarHBondContact O-N 3.13Å; E75-T85 HydrophobicContact CG-CG2 3.65Å; E75-T85 WeakPolarHBondContact OE1-CG2 3.33Å; E75-T85 VanDerWaalsContact OE2-CB 3.29Å; E75-T85 WeakPolarHBondContact OE2-CB 3.12Å; E75-S90 VanDerWaalsContact OE1-CB 3.29Å; E75-S90 WeakPolarHBondContact OE1-CB 3.2Å; E75-S90 PolarHBondContact OE1-OG 3.22Å; E75-F92 WeakPolarHBondContact CA-O 3.43Å; E75-F92 HydrophobicContact CB-CB 4.03Å; E75-F92 HydrophobicContact CG-CB 4.29Å
76I98.9Very high98.7Very high0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-120.1102.7174.5-50.4-178.9000108.3I82 F92 L95 S112 L114 L116I76-I82 HydrophobicContact CB-CD1 4.16Å; I76-I82 HydrophobicContact CG1-CD1 3.89Å; I76-I82 HydrophobicContact CG2-CD1 3.91Å; I76-F92 PolarHBondContact N-O 2.77Å; I76-F92 VanDerWaalsContact N-O 3.12Å; I76-L95 HydrophobicContact CD1-CD2 3.89Å; I76-L95 HydrophobicContact CG1-CD2 3.97Å; I76-S112 VanDerWaalsContact O-CB 3.26Å; I76-S112 WeakPolarHBondContact O-CB 3.38Å; I76-S112 PolarHBondContact O-OG 3.42Å; I76-L114 HydrophobicContact CG2-CB 3.9Å; I76-L116 HydrophobicContact CD1-CB 3.91Å
77F98.8Very high98.7Very high44 Ų4447.1 Ų47.119%0.19323%0.234CC..  trans-79.7154.3-176.9-76-97.1000112.2E75 N79 G80 T81 Q83 F92 L114E75-F77 HydrophobicContact CB-CD2 4.14Å; E75-F77 HydrophobicContact CB-CE2 3.65Å; E75-F77 HydrophobicContact CB-CZ 4.46Å; E75-F77 HydrophobicContact CG-CE2 4.45Å; F77-N79 VanDerWaalsContact CB-OD1 3.27Å; F77-N79 WeakPolarHBondContact CB-OD1 3.25Å; F77-N79 PolarHBondContact O-N 3.5Å; F77-N79 VanDerWaalsContact O-N 3.12Å; F77-G80 PolarHBondContact O-N 2.95Å; F77-T81 PolarHBondContact N-O 2.91Å; F77-Q83 HydrophobicContact CD2-CG 4.5Å; F77-Q83 HydrophobicContact CE2-CB 3.99Å; F77-Q83 HydrophobicContact CE2-CG 4.2Å; F77-F92 AromaticContact CD1-CD2 3.64Å; F77-F92 HydrophobicContact CD1-CD2 3.64Å; F77-F92 AromaticContact CD1-CE2 3.75Å; F77-F92 HydrophobicContact CD1-CE2 3.75Å; F77-F92 HydrophobicContact CD1-CG 4.09Å; F77-F92 HydrophobicContact CD1-CZ 4.28Å; F77-F92 AromaticContact CE1-CD2 3.26Å; F77-F92 HydrophobicContact CE1-CD2 3.26Å; F77-F92 AromaticContact CE1-CE2 3.45Å; F77-F92 HydrophobicContact CE1-CE2 3.45Å; F77-F92 VanDerWaalsContact CE1-CE2 3.45Å; F77-F92 HydrophobicContact CE1-CG 4.1Å; F77-F92 HydrophobicContact CE1-CZ 4.39Å; F77-F92 HydrophobicContact CG-CD2 4.42Å; F77-F92 AromaticContact CZ-CD2 3.76Å; F77-F92 HydrophobicContact CZ-CD2 3.76Å; F77-F92 HydrophobicContact CZ-CE2 4.34Å; F77-F92 HydrophobicContact CZ-CG 4.49Å; F77-L114 WeakPolarHBondContact O-CD1 3.34Å
78P98.6Very high98.7Very high78 Ų7846.9 Ų46.951%0.50624%0.237SC..THydrogen-bonded Turntrans-59.6-22.5178-25.635000115G80 F92P78-G80 PolarHBondContact O-N 3.14Å; P78-F92 HydrophobicContact CG-CD1 4.48Å; P78-F92 HydrophobicContact CG-CE1 3.88Å
79N98.4Very high98.7Very high122 Ų12247.8 Ų47.865%0.65224%0.241SC*.THydrogen-bonded Turntrans-82.85.9175.870.4-5.2000113.5F77 T81F77-N79 VanDerWaalsContact CB-OD1 3.27Å; F77-N79 WeakPolarHBondContact CB-OD1 3.25Å; F77-N79 PolarHBondContact O-N 3.5Å; F77-N79 VanDerWaalsContact O-N 3.12Å; N79-T81 VanDerWaalsContact C-N 3.31Å; N79-T81 PolarHBondContact ND2-OG1 2.79Å; N79-T81 PolarHBondContact O-N 3.3Å; N79-T81 WeakPolarHBondContact OD1-CB 3.48Å; N79-T81 PolarHBondContact OD1-N 3.1Å; N79-T81 PolarHBondContact OD1-OG1 3.33Å; N79-T81 VanDerWaalsContact OD1-OG1 3.06Å
80G98.6Very high98.7Very high16 Ų1642.4 Ų42.417%0.16522%0.222CC..SBendtrans81.22.5-178.100000114.9F77 P78 Y125 G126F77-G80 PolarHBondContact O-N 2.95Å; P78-G80 PolarHBondContact O-N 3.14Å; G80-Y125 CarbonylContact O-C 3.58Å; G80-G126 PolarHBondContact O-N 3.37Å
81T98.8Very high98.6Very high58 Ų5847.2 Ų47.236%0.35624%0.237SC..  trans-79.4141.7177.3-55.70000111F77 N79 Q83F77-T81 PolarHBondContact N-O 2.91Å; N79-T81 VanDerWaalsContact C-N 3.31Å; N79-T81 PolarHBondContact ND2-OG1 2.79Å; N79-T81 PolarHBondContact O-N 3.3Å; N79-T81 WeakPolarHBondContact OD1-CB 3.48Å; N79-T81 PolarHBondContact OD1-N 3.1Å; N79-T81 PolarHBondContact OD1-OG1 3.33Å; N79-T81 VanDerWaalsContact OD1-OG1 3.06Å; T81-Q83 HydrophobicContact CG2-CG 4.01Å
82I98.9Very high98.6Very high2 Ų249 Ų491%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-105.1131.6173.4-53.9-57.2000109.2L74 E75 I76 L116 L124 P172L74-I82 HydrophobicContact CD1-CG2 3.63Å; L74-I82 HydrophobicContact CG-CG2 4.29Å; E75-I82 WeakPolarHBondContact O-CA 3.45Å; I76-I82 HydrophobicContact CB-CD1 4.16Å; I76-I82 HydrophobicContact CG1-CD1 3.89Å; I76-I82 HydrophobicContact CG2-CD1 3.91Å; I82-L116 HydrophobicContact CD1-CD1 3.74Å; I82-L116 HydrophobicContact CG1-CD1 4.02Å; I82-L116 HydrophobicContact CG2-CD1 4.43Å; I82-L124 HydrophobicContact CB-CB 4.09Å; I82-L124 HydrophobicContact CG1-CB 3.89Å; I82-L124 HydrophobicContact CG2-CB 4.17Å; I82-L124 HydrophobicContact CG2-CD1 4.26Å; I82-P172 HydrophobicContact CB-CB 4.5Å; I82-P172 HydrophobicContact CG2-CB 4.43Å; I82-P172 WeakPolarHBondContact O-CD 3.39Å; I82-P172 WeakPolarHBondContact O-CG 3.39Å
83Q98.8Very high98.6Very high97 Ų9748.3 Ų48.345%0.45324%0.24SC..EExtended strand (participates in β ladder)trans-141175.1174.6-60-166.4-28.300111.3E75 F77 T81E75-Q83 PolarHBondContact N-O 2.92Å; E75-Q83 PolarHBondContact O-N 3.13Å; F77-Q83 HydrophobicContact CD2-CG 4.5Å; F77-Q83 HydrophobicContact CE2-CB 3.99Å; F77-Q83 HydrophobicContact CE2-CG 4.2Å; T81-Q83 HydrophobicContact CG2-CG 4.01Å
84G98.8Very high98.6Very high15 Ų1548.1 Ų48.116%0.15524%0.239CC..EExtended strand (participates in β ladder)trans-118.8133.6172.200000111H73 G170H73-G84 VanDerWaalsContact O-CA 3.27Å; H73-G84 WeakPolarHBondContact O-CA 3.42Å; G84-G170 VanDerWaalsContact CA-O 3.28Å; G84-G170 WeakPolarHBondContact CA-O 3.4Å; G84-G170 PolarHBondContact N-O 3.26Å
85T98.8Very high98.6Very high25 Ų2548.1 Ų48.115%0.15324%0.239CC..EExtended strand (participates in β ladder)trans-118.8152.7174.4-175.30000111.8F72 H73 E75 Q87F72-T85 CarbonylContact C-O 3.54Å; F72-T85 WeakPolarHBondContact CA-O 3.49Å; H73-T85 HydrophobicContact CB-CG2 4.26Å; H73-T85 PolarHBondContact N-O 3.3Å; H73-T85 PolarHBondContact O-N 3.05Å; E75-T85 HydrophobicContact CG-CG2 3.65Å; E75-T85 WeakPolarHBondContact OE1-CG2 3.33Å; E75-T85 VanDerWaalsContact OE2-CB 3.29Å; E75-T85 WeakPolarHBondContact OE2-CB 3.12Å; T85-Q87 VanDerWaalsContact C-N 3.33Å; T85-Q87 HydrophobicContact CG2-CB 4.35Å; T85-Q87 WeakPolarHBondContact OG1-CB 3.4Å; T85-Q87 PolarHBondContact OG1-N 3.38Å; T85-Q87 VanDerWaalsContact OG1-N 3.07Å
86R98.7Very high98.5Very high161 Ų16149.4 Ų49.461%0.60825%0.245SC*.  trans-86.6-10169.3-61.3-172.1174.9-79.11.2112.6G71 F72 D88G71-R86 PolarHBondContact O-NH1 2.77Å; G71-R86 VanDerWaalsContact O-NH1 3.14Å; F72-R86 HydrophobicContact CD1-CG 3.8Å; F72-R86 HydrophobicContact CE1-CG 3.69Å; F72-R86 HydrophobicContact CZ-CG 4.33Å; F72-R86 VanDerWaalsContact CZ-NH2 3.33Å; R86-D88 PolarHBondContact O-N 2.79Å
87Q98.6Very high98.4Very high123 Ų12350.5 Ų50.558%0.57525%0.249SC*.  trans-72.3115.3-177.2-177175.72.700110.2T85 S90T85-Q87 VanDerWaalsContact C-N 3.33Å; T85-Q87 HydrophobicContact CG2-CB 4.35Å; T85-Q87 WeakPolarHBondContact OG1-CB 3.4Å; T85-Q87 PolarHBondContact OG1-N 3.38Å; T85-Q87 VanDerWaalsContact OG1-N 3.07Å; Q87-S90 PolarHBondContact O-N 3.19Å
88D98.3Very high98.3Very high58 Ų5850.4 Ų50.431%0.3125%0.251SS..THydrogen-bonded Turntrans-64.5137.9169.7-164.661.5000109.8H73 R86 S90 R190H73-D88 IonicContact CE1-OD1 3.73Å; H73-D88 IonicContact NE2-OD1 3.72Å; H73-D88 PolarHBondContact NE2-OD1 3.49Å; R86-D88 PolarHBondContact O-N 2.79Å; D88-S90 VanDerWaalsContact C-N 3.25Å; D88-S90 PolarHBondContact O-N 3.45Å; D88-R190 IonicContact OD1-CZ 3.2Å; D88-R190 IonicContact OD1-NH1 3.78Å; D88-R190 PolarHBondContact OD1-NH1 3.46Å; D88-R190 IonicContact OD1-NH2 2.92Å; D88-R190 PolarHBondContact OD1-NH2 3.3Å; D88-R190 IonicContact OD2-NH2 3.94Å
89H98.2Very high98.1Very high19 Ų1950.4 Ų50.49%0.08825%0.252CS..THydrogen-bonded Turntrans56.835.4-176.2-63.277.8000113.7Q65 R91 D193 K196 V197Q65-H89 PolarHBondContact NE2-CE1 3.33Å; Q65-H89 PolarHBondContact NE2-ND1 2.96Å; Q65-H89 PolarHBondContact NE2-NE2 3.29Å; H89-R91 PolarHBondContact O-N 2.91Å; H89-D193 WeakPolarHBondContact NE2-CB 3.36Å; H89-D193 PolarHBondContact NE2-N 3.38Å; H89-K196 HydrophobicContact CB-CB 4.02Å; H89-K196 HydrophobicContact CB-CD 4.44Å; H89-V197 HydrophobicContact CB-CG1 4.11Å; H89-V197 WeakPolarHBondContact O-CG1 3.31Å
90S98.3Very high98Very high7 Ų748 Ų485%0.04924%0.239CC..  trans-57.6138.5168.3179.50000110.7E75 Q87 D88 F92 G93 I94E75-S90 VanDerWaalsContact OE1-CB 3.29Å; E75-S90 WeakPolarHBondContact OE1-CB 3.2Å; E75-S90 PolarHBondContact OE1-OG 3.22Å; Q87-S90 PolarHBondContact O-N 3.19Å; D88-S90 VanDerWaalsContact C-N 3.25Å; D88-S90 PolarHBondContact O-N 3.45Å; S90-F92 PolarHBondContact O-N 2.77Å; S90-G93 WeakPolarHBondContact O-CA 3.31Å; S90-G93 PolarHBondContact O-N 3.28Å; S90-I94 PolarHBondContact O-N 3.35Å
91R97.4Very high97.9Very high128 Ų12849.5 Ų49.548%0.48325%0.25SC..G310 helixtrans-50.1-43.2178.9-177.8176.6176-174.4-6.5112.8H89 D111H89-R91 PolarHBondContact O-N 2.91Å; R91-D111 HydrophobicContact CG-CB 4.2Å; R91-D111 IonicContact CZ-OD1 3.71Å; R91-D111 IonicContact CZ-OD2 2.77Å; R91-D111 VanDerWaalsContact NE-CG 3.33Å; R91-D111 IonicContact NE-OD1 3.5Å; R91-D111 IonicContact NE-OD2 3.93Å; R91-D111 PolarHBondContact NE-OD2 3.01Å; R91-D111 IonicContact NH2-OD1 3.19Å; R91-D111 IonicContact NH2-OD2 2.79Å; R91-D111 PolarHBondContact NH2-OD2 2.8Å
92F98.5Very high97.7Very high46 Ų4654.1 Ų54.120%0.20228%0.277CS..G310 helixtrans-88.2-6.5-179.6-51.9-61.6000113.7E75 I76 F77 P78 S90 D111E75-F92 WeakPolarHBondContact CA-O 3.43Å; E75-F92 HydrophobicContact CB-CB 4.03Å; E75-F92 HydrophobicContact CG-CB 4.29Å; I76-F92 PolarHBondContact N-O 2.77Å; I76-F92 VanDerWaalsContact N-O 3.12Å; F77-F92 AromaticContact CD1-CD2 3.64Å; F77-F92 HydrophobicContact CD1-CD2 3.64Å; F77-F92 AromaticContact CD1-CE2 3.75Å; F77-F92 HydrophobicContact CD1-CE2 3.75Å; F77-F92 HydrophobicContact CD1-CG 4.09Å; F77-F92 HydrophobicContact CD1-CZ 4.28Å; F77-F92 AromaticContact CE1-CD2 3.26Å; F77-F92 HydrophobicContact CE1-CD2 3.26Å; F77-F92 AromaticContact CE1-CE2 3.45Å; F77-F92 HydrophobicContact CE1-CE2 3.45Å; F77-F92 VanDerWaalsContact CE1-CE2 3.45Å; F77-F92 HydrophobicContact CE1-CG 4.1Å; F77-F92 HydrophobicContact CE1-CZ 4.39Å; F77-F92 HydrophobicContact CG-CD2 4.42Å; F77-F92 AromaticContact CZ-CD2 3.76Å; F77-F92 HydrophobicContact CZ-CD2 3.76Å; F77-F92 HydrophobicContact CZ-CE2 4.34Å; F77-F92 HydrophobicContact CZ-CG 4.49Å; P78-F92 HydrophobicContact CG-CD1 4.48Å; P78-F92 HydrophobicContact CG-CE1 3.88Å; S90-F92 PolarHBondContact O-N 2.77Å; F92-D111 HydrophobicContact CD1-CB 4.24Å; F92-D111 WeakPolarHBondContact CD1-OD1 3.29Å; F92-D111 WeakPolarHBondContact CE1-OD1 3.39Å
93G98.5Very high97.5Very high0 Ų055.9 Ų55.90%030%0.296CS..G310 helixtrans-93.61.2177.400000114.2L74 S90L74-G93 WeakPolarHBondContact O-CA 3.26Å; S90-G93 WeakPolarHBondContact O-CA 3.31Å; S90-G93 PolarHBondContact O-N 3.28Å
94I98.5Very high97.5Very high0 Ų052.7 Ų52.70%028%0.282CS..  trans-86115.2171.9-52.4-47.8000108.8R63 Q65 S90 V110 V192 V197 L200R63-I94 HydrophobicContact CB-CG2 4.47Å; Q65-I94 HydrophobicContact CG-CD1 3.94Å; S90-I94 PolarHBondContact O-N 3.35Å; I94-V110 HydrophobicContact CB-CB 4.49Å; I94-V110 HydrophobicContact CG2-CB 4.17Å; I94-V110 HydrophobicContact CG2-CG2 3.9Å; I94-V110 PolarHBondContact O-N 3.49Å; I94-V192 HydrophobicContact CD1-CG1 3.89Å; I94-V192 HydrophobicContact CD1-CG2 4.08Å; I94-V192 HydrophobicContact CG2-CG1 4.22Å; I94-V192 HydrophobicContact CG2-CG2 4.21Å; I94-V197 HydrophobicContact CD1-CG1 4.23Å; I94-V197 HydrophobicContact CD1-CG2 4.45Å; I94-V197 HydrophobicContact CG1-CG1 4.05Å; I94-V197 HydrophobicContact CG1-CG2 4.31Å; I94-L200 HydrophobicContact CB-CD1 3.67Å; I94-L200 HydrophobicContact CG1-CD1 3.63Å; I94-L200 HydrophobicContact CG2-CD1 4.02Å
95L98.5Very high97.5Very high0 Ų052.5 Ų52.50%028%0.278CS..EExtended strand (participates in β ladder)trans-122.5138.3-170.7-50.2176.2000110.7R63 R64 L66 L74 I76 I107 R108R63-L95 CarbonylContact C-O 3.59Å; R63-L95 VanDerWaalsContact CA-O 3.25Å; R63-L95 WeakPolarHBondContact CA-O 3.46Å; R64-L95 PolarHBondContact N-O 3.41Å; R64-L95 PolarHBondContact O-N 3.27Å; R64-L95 VanDerWaalsContact O-O 3.12Å; L66-L95 HydrophobicContact CB-CD1 3.72Å; L74-L95 HydrophobicContact CB-CD1 4.4Å; L74-L95 HydrophobicContact CD2-CD1 4.13Å; I76-L95 HydrophobicContact CD1-CD2 3.89Å; I76-L95 HydrophobicContact CG1-CD2 3.97Å; L95-I107 HydrophobicContact CB-CG2 3.87Å; L95-I107 HydrophobicContact CD1-CG2 3.82Å; L95-I107 HydrophobicContact CG-CG2 4.27Å; L95-R108 CarbonylContact C-O 3.52Å; L95-R108 VanDerWaalsContact CA-O 3.26Å; L95-R108 WeakPolarHBondContact CA-O 3.26Å
96E97.8Very high97.5Very high39 Ų3951.3 Ų51.318%0.18227%0.271CS..EExtended strand (participates in β ladder)trans-96.4126.4172.3-176.8-177.5-179.200110.4G59 I98 R108 V110G59-E96 WeakPolarHBondContact CA-OE1 3.45Å; E96-I98 HydrophobicContact CG-CG1 4.45Å; E96-R108 HydrophobicContact CB-CB 4.47Å; E96-R108 PolarHBondContact N-O 2.62Å; E96-R108 PolarHBondContact O-N 3.41Å; E96-V110 HydrophobicContact CB-CG2 4.1Å
97F96.7Very high97.5Very high22 Ų2243.7 Ų43.710%0.09624%0.242CC..EExtended strand (participates in β ladder)trans-91.1120.5176-83.6-112.7000111.1R62 R64 L66 I107 Y148R62-F97 HydrophobicContact CB-CB 4.48Å; R62-F97 WeakPolarHBondContact CB-O 3.41Å; R62-F97 WeakPolarHBondContact CD-O 3.45Å; R62-F97 PolarHBondContact O-N 3.49Å; R64-F97 HydrophobicContact CB-CD2 3.96Å; R64-F97 HydrophobicContact CB-CE2 3.83Å; R64-F97 HydrophobicContact CG-CD2 4.09Å; R64-F97 HydrophobicContact CG-CE2 4.32Å; L66-F97 HydrophobicContact CD1-CE2 4.49Å; L66-F97 HydrophobicContact CD1-CZ 3.77Å; L66-F97 HydrophobicContact CD2-CZ 4.26Å; L66-F97 HydrophobicContact CG-CZ 4.5Å; F97-I107 HydrophobicContact CD1-CG1 4.41Å; F97-I107 HydrophobicContact CE1-CD1 4.22Å; F97-I107 HydrophobicContact CE1-CG1 4.08Å; F97-I107 HydrophobicContact CE2-CG1 4.49Å; F97-I107 HydrophobicContact CE2-CG2 4.48Å; F97-I107 HydrophobicContact CZ-CD1 4.12Å; F97-I107 HydrophobicContact CZ-CG1 4.11Å; F97-Y148 AromaticContact CE1-CE1 3.88Å; F97-Y148 HydrophobicContact CE1-CE1 3.88Å; F97-Y148 AromaticContact CE1-CZ 3.92Å
98I96.4Very high97.5Very high43 Ų4342 Ų4222%0.22123%0.23CC..EExtended strand (participates in β ladder)trans-108.6114.1179.5-58.5164.1000108.1E96 I100 V105 S106 R108 Y115E96-I98 HydrophobicContact CG-CG1 4.45Å; I98-I100 HydrophobicContact CG2-CD1 4.08Å; I98-I100 PolarHBondContact O-N 3.35Å; I98-V105 CarbonylContact O-C 3.57Å; I98-V105 WeakPolarHBondContact O-CA 3.24Å; I98-S106 PolarHBondContact N-O 3.34Å; I98-S106 PolarHBondContact O-N 2.7Å; I98-R108 HydrophobicContact CD1-CB 4.21Å; I98-Y115 HydrophobicContact CD1-CD1 4.4Å; I98-Y115 HydrophobicContact CD1-CE1 3.68Å
99S95.3Very high97.5Very high77 Ų7739.2 Ų39.254%0.53822%0.215SC..EExtended strand (participates in β ladder)trans-73.2113.6175.4176.20000109.8
100I95.9Very high97.5Very high72 Ų7239.7 Ų39.737%0.36922%0.22SC..EExtended strand (participates in β ladder)trans-87.5-46.2177.8-57.8-60000110.4I98 L104 L130 V135I98-I100 HydrophobicContact CG2-CD1 4.08Å; I98-I100 PolarHBondContact O-N 3.35Å; I100-L104 HydrophobicContact CB-CB 4.16Å; I100-L104 PolarHBondContact N-O 3.21Å; I100-L130 HydrophobicContact CD1-CD2 4.19Å; I100-V135 HydrophobicContact CG1-CG1 4.44Å; I100-V135 HydrophobicContact CG2-CG1 4.42Å
101A95.6Very high97.4Very high48 Ų4841.3 Ų41.340%0.39723%0.228SC..EExtended strand (participates in β ladder)trans-159.3179.1175.400000108.8G103 L104A101-G103 PolarHBondContact O-N 2.73Å; A101-G103 VanDerWaalsContact O-N 3.07Å; A101-L104 HydrophobicContact CB-CB 4.22Å; A101-L104 HydrophobicContact CB-CD1 4.16Å; A101-L104 HydrophobicContact CB-CG 4.37Å; A101-L104 PolarHBondContact N-O 3.44Å; A101-L104 PolarHBondContact O-N 3.41Å; A101-L104 VanDerWaalsContact O-O 3.06Å
102V95.3Very high97.5Very high154 Ų15436.2 Ų36.293%0.93321%0.212SC*.THydrogen-bonded Turntrans-55.9118.7175.1-179.60000110.1L104V102-L104 PolarHBondContact O-N 2.86Å
103G95.6Very high97.4Very high39 Ų3934.9 Ų34.940%0.40221%0.211SC..THydrogen-bonded Turntrans71.87.7-178.700000115.3A101 R137 E138A101-G103 PolarHBondContact O-N 2.73Å; A101-G103 VanDerWaalsContact O-N 3.07Å; G103-R137 CarbonylContact O-C 3.53Å; G103-R137 WeakPolarHBondContact O-CA 3.4Å; G103-E138 PolarHBondContact O-N 2.93Å
104L98.3Very high97.4Very high31 Ų3135.7 Ų35.716%0.16222%0.215CC..EExtended strand (participates in β ladder)trans-117.8127.9175.7-60.8-173.7000110.9I100 A101 V102 V135 F136 R137I100-L104 HydrophobicContact CB-CB 4.16Å; I100-L104 PolarHBondContact N-O 3.21Å; A101-L104 HydrophobicContact CB-CB 4.22Å; A101-L104 HydrophobicContact CB-CD1 4.16Å; A101-L104 HydrophobicContact CB-CG 4.37Å; A101-L104 PolarHBondContact N-O 3.44Å; A101-L104 PolarHBondContact O-N 3.41Å; A101-L104 VanDerWaalsContact O-O 3.06Å; V102-L104 PolarHBondContact O-N 2.86Å; L104-V135 HydrophobicContact CB-CG1 4.15Å; L104-V135 HydrophobicContact CD1-CG1 4.3Å; L104-F136 CarbonylContact C-O 3.54Å; L104-F136 WeakPolarHBondContact CA-O 3.35Å; L104-R137 HydrophobicContact CD2-CB 4.26Å; L104-R137 HydrophobicContact CD2-CG 3.44Å; L104-R137 VanDerWaalsContact CD2-CG 3.44Å
105V98.4Very high97.5Very high11 Ų1137.6 Ų37.67%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-129.8152.6-178.8-59.60000111.4I98 I107 F136 E138 Y148I98-V105 CarbonylContact O-C 3.57Å; I98-V105 WeakPolarHBondContact O-CA 3.24Å; V105-I107 HydrophobicContact CG2-CG1 4.46Å; V105-F136 HydrophobicContact CG2-CB 4.37Å; V105-F136 PolarHBondContact N-O 2.9Å; V105-F136 PolarHBondContact O-N 2.91Å; V105-E138 HydrophobicContact CG1-CB 4.18Å; V105-E138 HydrophobicContact CG2-CB 4.1Å; V105-Y148 HydrophobicContact CG2-CD1 3.88Å; V105-Y148 HydrophobicContact CG2-CE1 3.88Å
106S98.6Very high97.5Very high0 Ų037.6 Ų37.60%022%0.222CC..EExtended strand (participates in β ladder)trans-116.4146.7159.6-68.50000108.8I98 L130 C134I98-S106 PolarHBondContact N-O 3.34Å; I98-S106 PolarHBondContact O-N 2.7Å; S106-L130 VanDerWaalsContact OG-CD1 3.25Å; S106-L130 WeakPolarHBondContact OG-CD1 3.37Å; S106-C134 WeakPolarHBondContact CB-O 3.36Å; S106-C134 PolarHBondContact OG-O 3.01Å
107I98.8Very high97.5Very high0 Ų035.7 Ų35.70%021%0.214CC..EExtended strand (participates in β ladder)trans-121.3121.7-173.8-60.3166.1000106.9L66 L95 F97 V105 Y115 L116 Y148L66-I107 HydrophobicContact CD2-CD1 4Å; L95-I107 HydrophobicContact CB-CG2 3.87Å; L95-I107 HydrophobicContact CD1-CG2 3.82Å; L95-I107 HydrophobicContact CG-CG2 4.27Å; F97-I107 HydrophobicContact CD1-CG1 4.41Å; F97-I107 HydrophobicContact CE1-CD1 4.22Å; F97-I107 HydrophobicContact CE1-CG1 4.08Å; F97-I107 HydrophobicContact CE2-CG1 4.49Å; F97-I107 HydrophobicContact CE2-CG2 4.48Å; F97-I107 HydrophobicContact CZ-CD1 4.12Å; F97-I107 HydrophobicContact CZ-CG1 4.11Å; V105-I107 HydrophobicContact CG2-CG1 4.46Å; I107-Y115 CarbonylContact O-C 3.58Å; I107-Y115 WeakPolarHBondContact O-CA 3.37Å; I107-L116 HydrophobicContact CB-CB 4.19Å; I107-L116 HydrophobicContact CD1-CD2 4.15Å; I107-L116 PolarHBondContact O-N 3.04Å; I107-Y148 HydrophobicContact CD1-CD1 4.23Å; I107-Y148 HydrophobicContact CD1-CE1 4.42Å
108R98.8Very high97.6Very high87 Ų8734.7 Ų34.733%0.32821%0.209SC..EExtended strand (participates in β ladder)trans-115.2134-178.5-170.1-175.4-178.9-149.4-2.8110.3L95 E96 I98 V110 G113 L114 Y115L95-R108 CarbonylContact C-O 3.52Å; L95-R108 VanDerWaalsContact CA-O 3.26Å; L95-R108 WeakPolarHBondContact CA-O 3.26Å; E96-R108 HydrophobicContact CB-CB 4.47Å; E96-R108 PolarHBondContact N-O 2.62Å; E96-R108 PolarHBondContact O-N 3.41Å; I98-R108 HydrophobicContact CD1-CB 4.21Å; R108-V110 PolarHBondContact O-N 2.76Å; R108-G113 PolarHBondContact NE-O 3.07Å; R108-G113 PolarHBondContact NH2-O 2.84Å; R108-L114 CarbonylContact C-O 3.5Å; R108-L114 WeakPolarHBondContact CA-O 3.44Å; R108-L114 WeakPolarHBondContact CG-O 3.48Å; R108-Y115 HydrophobicContact CB-CD1 3.97Å; R108-Y115 HydrophobicContact CB-CE1 4.06Å; R108-Y115 HydrophobicContact CG-CD1 4.13Å; R108-Y115 HydrophobicContact CG-CE1 4.04Å
109G98.6Very high97.8Very high0 Ų034.2 Ų34.20%021%0.207CC..EExtended strand (participates in β ladder)trans-69.8123.8169.400000109.3G113 L114G109-G113 VanDerWaalsContact O-CA 3.23Å; G109-G113 WeakPolarHBondContact O-CA 3.23Å; G109-G113 PolarHBondContact O-N 3.44Å; G109-L114 PolarHBondContact N-O 2.87Å
110V97.2Very high97.9Very high30 Ų3036.7 Ų36.718%0.18221%0.21CC..THydrogen-bonded Turntrans-65.3-45.5-177.2174.10000110.5R63 I94 E96 R108 L200R63-V110 HydrophobicContact CG-CG2 4.05Å; I94-V110 HydrophobicContact CB-CB 4.49Å; I94-V110 HydrophobicContact CG2-CB 4.17Å; I94-V110 HydrophobicContact CG2-CG2 3.9Å; I94-V110 PolarHBondContact O-N 3.49Å; E96-V110 HydrophobicContact CB-CG2 4.1Å; R108-V110 PolarHBondContact O-N 2.76Å; V110-L200 HydrophobicContact CB-CD1 4.5Å; V110-L200 HydrophobicContact CG1-CB 4.21Å; V110-L200 HydrophobicContact CG1-CD1 4.31Å; V110-L200 HydrophobicContact CG1-CD2 4.42Å
111D97.1Very high98Very high41 Ų4139.3 Ų39.322%0.21922%0.219CC..THydrogen-bonded Turntrans-72.7-50.8-179.7-174.1-99000112.7R91 F92 G113 L200R91-D111 HydrophobicContact CG-CB 4.2Å; R91-D111 IonicContact CZ-OD1 3.71Å; R91-D111 IonicContact CZ-OD2 2.77Å; R91-D111 VanDerWaalsContact NE-CG 3.33Å; R91-D111 IonicContact NE-OD1 3.5Å; R91-D111 IonicContact NE-OD2 3.93Å; R91-D111 PolarHBondContact NE-OD2 3.01Å; R91-D111 IonicContact NH2-OD1 3.19Å; R91-D111 IonicContact NH2-OD2 2.79Å; R91-D111 PolarHBondContact NH2-OD2 2.8Å; F92-D111 HydrophobicContact CD1-CB 4.24Å; F92-D111 WeakPolarHBondContact CD1-OD1 3.29Å; F92-D111 WeakPolarHBondContact CE1-OD1 3.39Å; D111-G113 VanDerWaalsContact C-N 3.29Å; D111-G113 PolarHBondContact O-N 2.96Å; D111-L200 HydrophobicContact CB-CD2 3.8Å
112S98.3Very high98.2Very high21 Ų2137 Ų3715%0.14720%0.2CC..THydrogen-bonded Turntrans-73.5-22.1-177.556.70000113.4I76 L114I76-S112 VanDerWaalsContact O-CB 3.26Å; I76-S112 WeakPolarHBondContact O-CB 3.38Å; I76-S112 PolarHBondContact O-OG 3.42Å; S112-L114 PolarHBondContact O-N 2.94Å; S112-L114 VanDerWaalsContact O-N 3.15Å
113G97.8Very high98.4Very high18 Ų1833.9 Ų33.919%0.18618%0.175CC..  trans70.8-1.8-174.300000114.5R108 G109 D111R108-G113 PolarHBondContact NE-O 3.07Å; R108-G113 PolarHBondContact NH2-O 2.84Å; G109-G113 VanDerWaalsContact O-CA 3.23Å; G109-G113 WeakPolarHBondContact O-CA 3.23Å; G109-G113 PolarHBondContact O-N 3.44Å; D111-G113 VanDerWaalsContact C-N 3.29Å; D111-G113 PolarHBondContact O-N 2.96Å
114L98.9Very high98.5Very high16 Ų1633 Ų338%0.08416%0.161CC..PPolyproline II helixtrans-84.7149.1-176.7-56-177000111.9I76 F77 R108 G109 S112 S127 E128I76-L114 HydrophobicContact CG2-CB 3.9Å; F77-L114 WeakPolarHBondContact O-CD1 3.34Å; R108-L114 CarbonylContact C-O 3.5Å; R108-L114 WeakPolarHBondContact CA-O 3.44Å; R108-L114 WeakPolarHBondContact CG-O 3.48Å; G109-L114 PolarHBondContact N-O 2.87Å; S112-L114 PolarHBondContact O-N 2.94Å; S112-L114 VanDerWaalsContact O-N 3.15Å; L114-S127 CarbonylContact C-O 3.55Å; L114-S127 WeakPolarHBondContact CA-O 3.45Å; L114-E128 HydrophobicContact CD2-CB 4.29Å; L114-E128 HydrophobicContact CD2-CG 3.75Å
115Y98.9Very high98.6Very high40 Ų4034.4 Ų34.416%0.15717%0.165CC..EExtended strand (participates in β ladder)trans-89138.5173.2-59.7-89.1000110.3I98 I107 R108 G117 G126 S127 L130I98-Y115 HydrophobicContact CD1-CD1 4.4Å; I98-Y115 HydrophobicContact CD1-CE1 3.68Å; I107-Y115 CarbonylContact O-C 3.58Å; I107-Y115 WeakPolarHBondContact O-CA 3.37Å; R108-Y115 HydrophobicContact CB-CD1 3.97Å; R108-Y115 HydrophobicContact CB-CE1 4.06Å; R108-Y115 HydrophobicContact CG-CD1 4.13Å; R108-Y115 HydrophobicContact CG-CE1 4.04Å; Y115-G117 PolarHBondContact O-N 2.94Å; Y115-G126 CarbonylContact O-C 3.52Å; Y115-G126 WeakPolarHBondContact O-CA 3.49Å; Y115-S127 PolarHBondContact N-O 3.34Å; Y115-S127 PolarHBondContact O-N 2.52Å; Y115-L130 HydrophobicContact CD1-CB 4.3Å; Y115-L130 HydrophobicContact CD1-CD1 3.75Å; Y115-L130 HydrophobicContact CD2-CB 4.29Å; Y115-L130 HydrophobicContact CE1-CB 4.07Å; Y115-L130 HydrophobicContact CE1-CD1 4.01Å; Y115-L130 HydrophobicContact CE1-CG 4.46Å; Y115-L130 HydrophobicContact CE2-CB 4.09Å; Y115-L130 HydrophobicContact CG-CB 4.4Å; Y115-L130 HydrophobicContact CG-CD1 4.24Å
116L98.9Very high98.6Very high0 Ų034.4 Ų34.40%017%0.167CC..EExtended strand (participates in β ladder)trans-61.5124.9166.5-177.364.8000108.4L74 I76 I82 I107 L124 C134 F136 V164L74-L116 HydrophobicContact CD2-CD1 4.27Å; L74-L116 HydrophobicContact CD2-CD2 3.85Å; I76-L116 HydrophobicContact CD1-CB 3.91Å; I82-L116 HydrophobicContact CD1-CD1 3.74Å; I82-L116 HydrophobicContact CG1-CD1 4.02Å; I82-L116 HydrophobicContact CG2-CD1 4.43Å; I107-L116 HydrophobicContact CB-CB 4.19Å; I107-L116 HydrophobicContact CD1-CD2 4.15Å; I107-L116 PolarHBondContact O-N 3.04Å; L116-L124 HydrophobicContact CD1-CB 4.43Å; L116-L124 HydrophobicContact CD1-CD2 4.45Å; L116-C134 VanDerWaalsContact O-CA 3.24Å; L116-C134 WeakPolarHBondContact O-CA 3.3Å; L116-C134 WeakPolarHBondContact O-CB 3.33Å; L116-F136 HydrophobicContact CB-CE2 4.08Å; L116-F136 HydrophobicContact CB-CZ 4.45Å; L116-F136 HydrophobicContact CD2-CE2 3.94Å; L116-F136 HydrophobicContact CD2-CZ 4.01Å; L116-F136 HydrophobicContact CG-CE2 3.89Å; L116-F136 HydrophobicContact CG-CZ 3.83Å; L116-F136 VanDerWaalsContact O-CE2 3.24Å; L116-F136 WeakPolarHBondContact O-CE2 3.37Å; L116-V164 HydrophobicContact CD2-CG1 4.22Å; L116-V164 HydrophobicContact CD2-CG2 4.12Å
117G98.9Very high98.6Very high0 Ų035.1 Ų35.10%017%0.172CC..EExtended strand (participates in β ladder)trans-121.4155.9174.300000111.2Y115 L124 Y125Y115-G117 PolarHBondContact O-N 2.94Å; G117-L124 WeakPolarHBondContact O-CA 3.36Å; G117-Y125 PolarHBondContact N-O 3.31Å; G117-Y125 PolarHBondContact O-N 2.98Å
118M98.9Very high98.6Very high0 Ų042.9 Ų42.90%021%0.208CC..EExtended strand (participates in β ladder)trans-133.2119.8169.5-177.3-174.4-69.100109.8E123 L124 E133 F136 Y153 Y162 V164M118-E123 WeakPolarHBondContact CA-O 3.49Å; M118-L124 HydrophobicContact CB-CD2 4.05Å; M118-L124 HydrophobicContact CE-CD2 3.45Å; M118-L124 VanDerWaalsContact CE-CD2 3.45Å; M118-L124 HydrophobicContact CG-CD2 4.21Å; M118-E133 PolarHBondContact N-O 3.12Å; M118-E133 WeakPolarHBondContact O-CB 3.15Å; M118-F136 HydrophobicContact CB-CE1 3.97Å; M118-F136 HydrophobicContact CB-CZ 4.3Å; M118-F136 HydrophobicContact CE-CE1 4.36Å; M118-Y153 WeakPolarHBondContact O-CD2 3.45Å; M118-Y153 VanDerWaalsContact O-CE2 3.29Å; M118-Y153 WeakPolarHBondContact O-CE2 3.39Å; M118-Y162 VanDerWaalsContact SD-CB 3.56Å; M118-Y162 HydrophobicContact SD-CD2 4.36Å; M118-V164 HydrophobicContact CE-CG2 4.03Å
119N98.8Very high98.6Very high34 Ų3446.2 Ų46.218%0.18223%0.225CC..  trans-80.3177.2-178.373.514.5000112.7K121 G122 E123 Y125 E133 Y153N119-K121 PolarHBondContact O-N 3.14Å; N119-K121 VanDerWaalsContact O-N 3.16Å; N119-K121 WeakPolarHBondContact OD1-CA 3.29Å; N119-K121 WeakPolarHBondContact OD1-CB 3.36Å; N119-K121 PolarHBondContact OD1-N 3.43Å; N119-G122 WeakPolarHBondContact O-CA 3.27Å; N119-G122 PolarHBondContact O-N 2.89Å; N119-G122 PolarHBondContact OD1-N 3.07Å; N119-E123 PolarHBondContact N-O 2.75Å; N119-E123 VanDerWaalsContact N-O 3.09Å; N119-E123 PolarHBondContact ND2-OE2 2.72Å; N119-E123 PolarHBondContact OD1-N 2.84Å; N119-Y125 HydrophobicContact CB-CD1 4.39Å; N119-Y125 HydrophobicContact CB-CE1 4.05Å; N119-E133 WeakPolarHBondContact CA-OE1 3.27Å; N119-Y153 WeakPolarHBondContact O-CD2 3.27Å
120E98.7Very high98.5Very high129 Ų12950 Ų5060%0.60325%0.245SC*.THydrogen-bonded Turntrans-58.2-26.2179.664.3175.1-171.400114.7Y153E120-Y153 HydrophobicContact CB-CD1 4.35Å; E120-Y153 HydrophobicContact CB-CE1 3.83Å; E120-Y153 HydrophobicContact CB-CE2 4.45Å
121K98.6Very high98.6Very high126 Ų12651.3 Ų51.355%0.54825%0.253SS..THydrogen-bonded Turntrans-82.2-6.2175.8-62.9176.2-179.11720112.2N119 E123 T176N119-K121 PolarHBondContact O-N 3.14Å; N119-K121 VanDerWaalsContact O-N 3.16Å; N119-K121 WeakPolarHBondContact OD1-CA 3.29Å; N119-K121 WeakPolarHBondContact OD1-CB 3.36Å; N119-K121 PolarHBondContact OD1-N 3.43Å; K121-E123 VanDerWaalsContact C-N 3.35Å; K121-E123 HydrophobicContact CB-CG 4.11Å; K121-T176 WeakPolarHBondContact O-CG2 3.34Å; K121-T176 PolarHBondContact O-OG1 3.32Å
122G98.8Very high98.7Very high0 Ų056.2 Ų56.20%028%0.275CS..  trans80.314.1-175.200000113.4N119 E174 G175N119-G122 WeakPolarHBondContact O-CA 3.27Å; N119-G122 PolarHBondContact O-N 2.89Å; N119-G122 PolarHBondContact OD1-N 3.07Å; G122-E174 CarbonylContact O-C 3.57Å; G122-E174 WeakPolarHBondContact O-CA 3.21Å; G122-G175 PolarHBondContact O-N 3.31Å
123E98.9Very high98.7Very high89 Ų8957.1 Ų57.142%0.41628%0.277SS..  trans-78.7134.2178-58.4164.8151.500109.4M118 N119 K121M118-E123 WeakPolarHBondContact CA-O 3.49Å; N119-E123 PolarHBondContact N-O 2.75Å; N119-E123 VanDerWaalsContact N-O 3.09Å; N119-E123 PolarHBondContact ND2-OE2 2.72Å; N119-E123 PolarHBondContact OD1-N 2.84Å; K121-E123 VanDerWaalsContact C-N 3.35Å; K121-E123 HydrophobicContact CB-CG 4.11Å
124L98.9Very high98.8Very high19 Ų1956.2 Ų56.210%0.09927%0.268CS..EExtended strand (participates in β ladder)trans-84.3137.1176.7-60.2178.9000110.1I82 L116 G117 M118 V164 P172I82-L124 HydrophobicContact CB-CB 4.09Å; I82-L124 HydrophobicContact CG1-CB 3.89Å; I82-L124 HydrophobicContact CG2-CB 4.17Å; I82-L124 HydrophobicContact CG2-CD1 4.26Å; L116-L124 HydrophobicContact CD1-CB 4.43Å; L116-L124 HydrophobicContact CD1-CD2 4.45Å; G117-L124 WeakPolarHBondContact O-CA 3.36Å; M118-L124 HydrophobicContact CB-CD2 4.05Å; M118-L124 HydrophobicContact CE-CD2 3.45Å; M118-L124 VanDerWaalsContact CE-CD2 3.45Å; M118-L124 HydrophobicContact CG-CD2 4.21Å; L124-V164 HydrophobicContact CD1-CG1 3.88Å; L124-V164 HydrophobicContact CD2-CG1 4.41Å; L124-V164 HydrophobicContact CD2-CG2 4.14Å; L124-P172 HydrophobicContact CB-CB 4.48Å; L124-P172 HydrophobicContact CD1-CB 4.3Å
125Y98.9Very high98.8Very high61 Ų6156.3 Ų56.324%0.23927%0.269CS..EExtended strand (participates in β ladder)trans-149.1164.2178.971.9-84.5000111.2G80 G117 N119 E133G80-Y125 CarbonylContact O-C 3.58Å; G117-Y125 PolarHBondContact N-O 3.31Å; G117-Y125 PolarHBondContact O-N 2.98Å; N119-Y125 HydrophobicContact CB-CD1 4.39Å; N119-Y125 HydrophobicContact CB-CE1 4.05Å; Y125-E133 WeakPolarHBondContact CE1-OE2 3.12Å; Y125-E133 VanDerWaalsContact CZ-OE2 3.28Å; Y125-E133 PolarHBondContact OH-OE2 2.82Å
126G98.9Very high98.8Very high12 Ų1254.4 Ų54.412%0.12426%0.261CS..EExtended strand (participates in β ladder)trans-93.4119.9170.300000110.9G80 Y115G80-G126 PolarHBondContact O-N 3.37Å; Y115-G126 CarbonylContact O-C 3.52Å; Y115-G126 WeakPolarHBondContact O-CA 3.49Å
127S98.8Very high98.8Very high14 Ų1458.5 Ų58.510%0.09828%0.277CS..EExtended strand (participates in β ladder)trans-99.3133.7178.7-1770000111.3L114 Y115 K129 C134L114-S127 CarbonylContact C-O 3.55Å; L114-S127 WeakPolarHBondContact CA-O 3.45Å; Y115-S127 PolarHBondContact N-O 3.34Å; Y115-S127 PolarHBondContact O-N 2.52Å; S127-K129 VanDerWaalsContact C-N 3.26Å; S127-K129 WeakPolarHBondContact CB-O 3.48Å; S127-K129 PolarHBondContact O-N 2.73Å; S127-K129 PolarHBondContact OG-N 2.79Å; S127-K129 PolarHBondContact OG-O 2.8Å; S127-C134 VanDerWaalsContact CB-SG 3.55Å
128E98.5Very high98.7Very high164 Ų16461.3 Ų61.377%0.76629%0.29SS*.SBendtrans-67.3-29.2172.8-67.1-179.5175.300112.6L114L114-E128 HydrophobicContact CD2-CB 4.29Å; L114-E128 HydrophobicContact CD2-CG 3.75Å
129K98.3Very high98.6Very high156 Ų15665.1 Ų65.168%0.67831%0.308SS*.SBendtrans-113.8144.1-176.4-63.5-178.7-176.8176.80110.6S127 T131S127-K129 VanDerWaalsContact C-N 3.26Å; S127-K129 WeakPolarHBondContact CB-O 3.48Å; S127-K129 PolarHBondContact O-N 2.73Å; S127-K129 PolarHBondContact OG-N 2.79Å; S127-K129 PolarHBondContact OG-O 2.8Å; K129-T131 HydrophobicContact CB-CG2 4.24Å; K129-T131 PolarHBondContact O-N 2.83Å
130L98.4Very high98.3Very high79 Ų7969.1 Ų69.141%0.41432%0.324SS..  trans-72.3100.5169.8-178.264.9000109.5I100 S106 Y115 C134I100-L130 HydrophobicContact CD1-CD2 4.19Å; S106-L130 VanDerWaalsContact OG-CD1 3.25Å; S106-L130 WeakPolarHBondContact OG-CD1 3.37Å; Y115-L130 HydrophobicContact CD1-CB 4.3Å; Y115-L130 HydrophobicContact CD1-CD1 3.75Å; Y115-L130 HydrophobicContact CD2-CB 4.29Å; Y115-L130 HydrophobicContact CE1-CB 4.07Å; Y115-L130 HydrophobicContact CE1-CD1 4.01Å; Y115-L130 HydrophobicContact CE1-CG 4.46Å; Y115-L130 HydrophobicContact CE2-CB 4.09Å; Y115-L130 HydrophobicContact CG-CB 4.4Å; Y115-L130 HydrophobicContact CG-CD1 4.24Å; L130-C134 HydrophobicContact CD1-CB 3.87Å
131T98.6Very high97.8Very high59 Ų5964.2 Ų64.236%0.36230%0.301SS..  trans-108.3175.9178.2690000111.2K129 E133 C134K129-T131 HydrophobicContact CB-CG2 4.24Å; K129-T131 PolarHBondContact O-N 2.83Å; T131-E133 PolarHBondContact O-N 2.87Å; T131-E133 PolarHBondContact OG1-N 2.76Å; T131-C134 WeakPolarHBondContact O-CB 3.26Å; T131-C134 PolarHBondContact O-N 3.43Å; T131-C134 PolarHBondContact OG1-SG 3.04Å; T131-C134 VanDerWaalsContact OG1-SG 3.37Å
132Q98.6Very high97.1Very high143 Ų14365.3 Ų65.367%0.66831%0.308SS*.G310 helixtrans-63.1-27.3174.7-66-174.6-6.800113.1C134 V135 L152Q132-C134 PolarHBondContact O-N 2.96Å; Q132-V135 PolarHBondContact O-N 2.82Å; Q132-L152 HydrophobicContact CB-CD2 4.21Å
133E98.9Very high96.3Very high40 Ų4070.8 Ų70.819%0.18734%0.337CS..G310 helixtrans-68.6-15.8174.2-63.9-163.9147.700112.8M118 N119 Y125 T131 L152 Y153M118-E133 PolarHBondContact N-O 3.12Å; M118-E133 WeakPolarHBondContact O-CB 3.15Å; N119-E133 WeakPolarHBondContact CA-OE1 3.27Å; Y125-E133 WeakPolarHBondContact CE1-OE2 3.12Å; Y125-E133 VanDerWaalsContact CZ-OE2 3.28Å; Y125-E133 PolarHBondContact OH-OE2 2.82Å; T131-E133 PolarHBondContact O-N 2.87Å; T131-E133 PolarHBondContact OG1-N 2.76Å; E133-L152 HydrophobicContact CG-CD2 4.11Å; E133-Y153 HydrophobicContact CG-CE2 3.86Å; E133-Y153 WeakPolarHBondContact OE1-CE2 3.27Å; E133-Y153 PolarHBondContact OE1-OH 3Å
134C98.9Very high95.6Very high0 Ų075.8 Ų75.80%035%0.352CS..G310 helixtrans-94.68.4-179.4-55.50000113.4S106 L116 S127 L130 T131 Q132S106-C134 WeakPolarHBondContact CB-O 3.36Å; S106-C134 PolarHBondContact OG-O 3.01Å; L116-C134 VanDerWaalsContact O-CA 3.24Å; L116-C134 WeakPolarHBondContact O-CA 3.3Å; L116-C134 WeakPolarHBondContact O-CB 3.33Å; S127-C134 VanDerWaalsContact CB-SG 3.55Å; L130-C134 HydrophobicContact CD1-CB 3.87Å; T131-C134 WeakPolarHBondContact O-CB 3.26Å; T131-C134 PolarHBondContact O-N 3.43Å; T131-C134 PolarHBondContact OG1-SG 3.04Å; T131-C134 VanDerWaalsContact OG1-SG 3.37Å; Q132-C134 PolarHBondContact O-N 2.96Å
135V98.9Very high95.5Very high17 Ų1775.6 Ų75.610%0.10335%0.351CS..  trans-108.1121-178.4-175.90000110.1I100 L104 Q132 N151I100-V135 HydrophobicContact CG1-CG1 4.44Å; I100-V135 HydrophobicContact CG2-CG1 4.42Å; L104-V135 HydrophobicContact CB-CG1 4.15Å; L104-V135 HydrophobicContact CD1-CG1 4.3Å; Q132-V135 PolarHBondContact O-N 2.82Å; V135-N151 HydrophobicContact CB-CB 4.36Å; V135-N151 HydrophobicContact CG1-CB 4.13Å; V135-N151 VanDerWaalsContact O-CB 3.23Å; V135-N151 WeakPolarHBondContact O-CB 3.33Å; V135-N151 PolarHBondContact O-N 3.22Å
136F98.9Very high95.4Very high0 Ų073.6 Ų73.60%034%0.344CS..EExtended strand (participates in β ladder)trans-115.8142.5-178.2-56.9-84.2000111.4L104 V105 L116 M118 E138 S149 V164L104-F136 CarbonylContact C-O 3.54Å; L104-F136 WeakPolarHBondContact CA-O 3.35Å; V105-F136 HydrophobicContact CG2-CB 4.37Å; V105-F136 PolarHBondContact N-O 2.9Å; V105-F136 PolarHBondContact O-N 2.91Å; L116-F136 HydrophobicContact CB-CE2 4.08Å; L116-F136 HydrophobicContact CB-CZ 4.45Å; L116-F136 HydrophobicContact CD2-CE2 3.94Å; L116-F136 HydrophobicContact CD2-CZ 4.01Å; L116-F136 HydrophobicContact CG-CE2 3.89Å; L116-F136 HydrophobicContact CG-CZ 3.83Å; L116-F136 VanDerWaalsContact O-CE2 3.24Å; L116-F136 WeakPolarHBondContact O-CE2 3.37Å; M118-F136 HydrophobicContact CB-CE1 3.97Å; M118-F136 HydrophobicContact CB-CZ 4.3Å; M118-F136 HydrophobicContact CE-CE1 4.36Å; F136-E138 PolarHBondContact O-N 2.86Å; F136-S149 CarbonylContact C-O 3.46Å; F136-S149 VanDerWaalsContact CA-O 3.24Å; F136-S149 WeakPolarHBondContact CA-O 3.38Å; F136-V164 HydrophobicContact CD1-CG2 3.71Å; F136-V164 HydrophobicContact CE1-CG2 3.57Å; F136-V164 HydrophobicContact CG-CG2 4.48Å; F136-V164 HydrophobicContact CZ-CG2 4.24Å
137R98.7Very high95.4Very high87 Ų8773 Ų7333%0.32834%0.338SS..EExtended strand (participates in β ladder)trans-77.7115.2165.5-69169.2179.2-90.1-7.7108.5G103 L104 Y148 S149 N151G103-R137 CarbonylContact O-C 3.53Å; G103-R137 WeakPolarHBondContact O-CA 3.4Å; L104-R137 HydrophobicContact CD2-CB 4.26Å; L104-R137 HydrophobicContact CD2-CG 3.44Å; L104-R137 VanDerWaalsContact CD2-CG 3.44Å; R137-Y148 WeakPolarHBondContact O-CA 3.34Å; R137-S149 PolarHBondContact N-O 2.85Å; R137-S149 PolarHBondContact O-N 3.47Å; R137-N151 HydrophobicContact CG-CB 4.44Å; R137-N151 PolarHBondContact NE-OD1 2.9Å; R137-N151 PolarHBondContact NH2-OD1 3.32Å
138E98.1Very high95.4Very high59 Ų5972.4 Ų72.428%0.27633%0.333SS..EExtended strand (participates in β ladder)trans-87.8124.4170.2-179.1174.3-118.700108.8G103 V105 F136 N146 T147 Y148G103-E138 PolarHBondContact O-N 2.93Å; V105-E138 HydrophobicContact CG1-CB 4.18Å; V105-E138 HydrophobicContact CG2-CB 4.1Å; F136-E138 PolarHBondContact O-N 2.86Å; E138-N146 HydrophobicContact CG-CB 4.24Å; E138-N146 PolarHBondContact OE1-ND2 3.46Å; E138-T147 WeakPolarHBondContact CA-O 3.47Å; E138-Y148 HydrophobicContact CB-CD1 4.1Å; E138-Y148 HydrophobicContact CB-CE1 3.79Å; E138-Y148 HydrophobicContact CG-CD1 4.3Å; E138-Y148 HydrophobicContact CG-CE1 3.59Å; E138-Y148 VanDerWaalsContact OE1-CE1 3.24Å; E138-Y148 WeakPolarHBondContact OE1-CE1 3.38Å; E138-Y148 VanDerWaalsContact OE1-CZ 3.3Å; E138-Y148 PolarHBondContact OE1-OH 3.19Å
139Q96.9Very high95.4Very high80 Ų8064.6 Ų64.637%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-133.8135.1175.7-62.6-172.5-39.100110.7N146 T147Q139-N146 CarbonylContact O-C 3.6Å; Q139-N146 VanDerWaalsContact O-CA 3.27Å; Q139-N146 WeakPolarHBondContact O-CA 3.13Å; Q139-T147 PolarHBondContact N-O 3.29Å; Q139-T147 PolarHBondContact O-N 2.98Å; Q139-T147 PolarHBondContact O-OG1 3.31Å
140F92.8Very high95.5Very high118 Ų11857.2 Ų57.252%0.51827%0.265SS..EExtended strand (participates in β ladder)trans-63.1137.8173.1-160.4-99.2000111W144 R180F140-W144 HydrophobicContact CE2-CD2 4.41Å; F140-W144 AromaticContact CE2-CE3 3.69Å; F140-W144 HydrophobicContact CE2-CE3 3.69Å; F140-W144 HydrophobicContact CE2-CZ3 4.28Å; F140-W144 HydrophobicContact CZ-CB 4.44Å; F140-W144 AromaticContact CZ-CD2 4Å; F140-W144 HydrophobicContact CZ-CD2 4Å; F140-W144 AromaticContact CZ-CE3 3.6Å; F140-W144 HydrophobicContact CZ-CE3 3.6Å; F140-W144 HydrophobicContact CZ-CG 4.39Å; F140-W144 HydrophobicContact CZ-CZ3 4.13Å; F140-R180 PolarHBondContact O-NH2 2.88Å
141E87.9Confident95.5Very high25 Ų2555.9 Ų55.912%0.11726%0.258CS..  trans-122.1170.4173.8-165.362.1-84.300108.4Y145 T147 R180 H186E141-Y145 CarbonylContact C-O 3.48Å; E141-Y145 VanDerWaalsContact CA-O 3.31Å; E141-Y145 WeakPolarHBondContact CA-O 3.25Å; E141-Y145 VanDerWaalsContact CB-O 3.26Å; E141-Y145 WeakPolarHBondContact CB-O 3.39Å; E141-Y145 PolarHBondContact N-O 2.8Å; E141-T147 HydrophobicContact CB-CG2 4.41Å; E141-T147 HydrophobicContact CG-CG2 4.47Å; E141-R180 IonicContact OE1-CZ 3.58Å; E141-R180 IonicContact OE1-NH1 2.8Å; E141-R180 PolarHBondContact OE1-NH1 3.5Å; E141-R180 WeakPolarHBondContact OE2-CG 3.39Å; E141-R180 IonicContact OE2-CZ 2.7Å; E141-R180 VanDerWaalsContact OE2-CZ 3.31Å; E141-R180 IonicContact OE2-NE 3.31Å; E141-R180 IonicContact OE2-NH1 3.66Å; E141-R180 PolarHBondContact OE2-NH1 3.01Å; E141-H186 IonicContact OE2-NE2 3.86Å
142E82.9Confident95.5Very high149 Ų14956.5 Ų56.570%0.69626%0.259SS*.G310 helixtrans-54.5151177.4-61.6176.7-17800113W144 Y145E142-W144 VanDerWaalsContact C-N 3.35Å; E142-W144 PolarHBondContact O-N 2.73Å; E142-Y145 PolarHBondContact O-N 2.85Å
143N82.2Confident95.5Very high116 Ų11652.2 Ų52.262%0.6224%0.237SC*.G310 helixtrans59.534.8175.2-54.3-63.6000115.4Y145N143-Y145 HydrophobicContact CB-CD2 4.36Å; N143-Y145 VanDerWaalsContact O-CD2 3.31Å; N143-Y145 WeakPolarHBondContact O-CD2 3.23Å; N143-Y145 PolarHBondContact O-N 2.79Å
144W85.6Confident95.5Very high194 Ų19455 Ų5574%0.73525%0.249SC*.G310 helixtrans69.411.9176.9-49.196.8000115.3F140 E142 L188F140-W144 HydrophobicContact CE2-CD2 4.41Å; F140-W144 AromaticContact CE2-CE3 3.69Å; F140-W144 HydrophobicContact CE2-CE3 3.69Å; F140-W144 HydrophobicContact CE2-CZ3 4.28Å; F140-W144 HydrophobicContact CZ-CB 4.44Å; F140-W144 AromaticContact CZ-CD2 4Å; F140-W144 HydrophobicContact CZ-CD2 4Å; F140-W144 AromaticContact CZ-CE3 3.6Å; F140-W144 HydrophobicContact CZ-CE3 3.6Å; F140-W144 HydrophobicContact CZ-CG 4.39Å; F140-W144 HydrophobicContact CZ-CZ3 4.13Å; E142-W144 VanDerWaalsContact C-N 3.35Å; E142-W144 PolarHBondContact O-N 2.73Å; W144-L188 HydrophobicContact CB-CD1 4.25Å; W144-L188 WeakPolarHBondContact O-CD1 3.41Å
145Y95.8Very high95.5Very high15 Ų1556.5 Ų56.56%0.05926%0.256CS..  trans-81.3151.9169.5-75.3-100.4000109.5Y67 R69 E141 E142 N143 H186 L188Y67-Y145 HydrophobicContact CD1-CE1 4.5Å; R69-Y145 HydrophobicContact CB-CD1 4.23Å; R69-Y145 HydrophobicContact CB-CE1 3.75Å; R69-Y145 WeakPolarHBondContact CD-OH 3.27Å; R69-Y145 HydrophobicContact CG-CE1 4.24Å; R69-Y145 VanDerWaalsContact NH1-CZ 3.3Å; R69-Y145 PolarHBondContact NH1-OH 3.07Å; E141-Y145 CarbonylContact C-O 3.48Å; E141-Y145 VanDerWaalsContact CA-O 3.31Å; E141-Y145 WeakPolarHBondContact CA-O 3.25Å; E141-Y145 VanDerWaalsContact CB-O 3.26Å; E141-Y145 WeakPolarHBondContact CB-O 3.39Å; E141-Y145 PolarHBondContact N-O 2.8Å; E142-Y145 PolarHBondContact O-N 2.85Å; N143-Y145 HydrophobicContact CB-CD2 4.36Å; N143-Y145 VanDerWaalsContact O-CD2 3.31Å; N143-Y145 WeakPolarHBondContact O-CD2 3.23Å; N143-Y145 PolarHBondContact O-N 2.79Å; Y145-H186 HydrophobicContact CD1-CB 3.66Å; Y145-H186 HydrophobicContact CG-CB 4.01Å; Y145-L188 HydrophobicContact CD1-CB 3.98Å; Y145-L188 HydrophobicContact CE1-CB 3.69Å; Y145-L188 HydrophobicContact CE2-CB 4.48Å
146N97.7Very high95.4Very high19 Ų1962.5 Ų62.510%0.10229%0.292CS..EExtended strand (participates in β ladder)trans-110.8158.9168.2-67.7-18.5000109.4E138 Q139 Y148 F187E138-N146 HydrophobicContact CG-CB 4.24Å; E138-N146 PolarHBondContact OE1-ND2 3.46Å; Q139-N146 CarbonylContact O-C 3.6Å; Q139-N146 VanDerWaalsContact O-CA 3.27Å; Q139-N146 WeakPolarHBondContact O-CA 3.13Å; N146-Y148 HydrophobicContact CB-CE2 3.83Å; N146-Y148 PolarHBondContact ND2-OH 2.87Å; N146-F187 PolarHBondContact N-O 2.79Å; N146-F187 PolarHBondContact O-N 3.15Å
147T98.6Very high95.3Very high0 Ų068.9 Ų68.90%033%0.326CS..EExtended strand (participates in β ladder)trans-111.3144.1162.653.80000108.9E138 Q139 E141 Y163 R180E138-T147 WeakPolarHBondContact CA-O 3.47Å; Q139-T147 PolarHBondContact N-O 3.29Å; Q139-T147 PolarHBondContact O-N 2.98Å; Q139-T147 PolarHBondContact O-OG1 3.31Å; E141-T147 HydrophobicContact CB-CG2 4.41Å; E141-T147 HydrophobicContact CG-CG2 4.47Å; T147-Y163 HydrophobicContact CG2-CD1 4.43Å; T147-Y163 HydrophobicContact CG2-CE1 4.41Å; T147-R180 HydrophobicContact CG2-CG 4.04Å
148Y98.9Very high95.2Very high0 Ų069 Ų690%034%0.337CS..EExtended strand (participates in β ladder)trans-120.1116.3176.4-61.4-83.6000107.9L66 F97 V105 I107 R137 E138 N146 Y163 V164 F187 P189L66-Y148 HydrophobicContact CD1-CE2 3.79Å; L66-Y148 HydrophobicContact CD2-CD2 4.22Å; L66-Y148 HydrophobicContact CD2-CE2 4.02Å; L66-Y148 HydrophobicContact CG-CE2 4.38Å; F97-Y148 AromaticContact CE1-CE1 3.88Å; F97-Y148 HydrophobicContact CE1-CE1 3.88Å; F97-Y148 AromaticContact CE1-CZ 3.92Å; V105-Y148 HydrophobicContact CG2-CD1 3.88Å; V105-Y148 HydrophobicContact CG2-CE1 3.88Å; I107-Y148 HydrophobicContact CD1-CD1 4.23Å; I107-Y148 HydrophobicContact CD1-CE1 4.42Å; R137-Y148 WeakPolarHBondContact O-CA 3.34Å; E138-Y148 HydrophobicContact CB-CD1 4.1Å; E138-Y148 HydrophobicContact CB-CE1 3.79Å; E138-Y148 HydrophobicContact CG-CD1 4.3Å; E138-Y148 HydrophobicContact CG-CE1 3.59Å; E138-Y148 VanDerWaalsContact OE1-CE1 3.24Å; E138-Y148 WeakPolarHBondContact OE1-CE1 3.38Å; E138-Y148 VanDerWaalsContact OE1-CZ 3.3Å; E138-Y148 PolarHBondContact OE1-OH 3.19Å; N146-Y148 HydrophobicContact CB-CE2 3.83Å; N146-Y148 PolarHBondContact ND2-OH 2.87Å; Y148-Y163 CarbonylContact O-C 3.4Å; Y148-Y163 WeakPolarHBondContact O-CA 3.28Å; Y148-V164 PolarHBondContact O-N 3.06Å; Y148-F187 HydrophobicContact CD2-CB 4.11Å; Y148-F187 HydrophobicContact CD2-CD2 4.29Å; Y148-F187 HydrophobicContact CD2-CG 4.43Å; Y148-F187 HydrophobicContact CE2-CB 3.81Å; Y148-P189 WeakPolarHBondContact OH-CG 3.38Å
149S98.9Very high95.2Very high1 Ų167.8 Ų67.81%0.00734%0.34CS..EExtended strand (participates in β ladder)trans-122.9146.1-17964.40000112.2F136 R137 N151 Y162F136-S149 CarbonylContact C-O 3.46Å; F136-S149 VanDerWaalsContact CA-O 3.24Å; F136-S149 WeakPolarHBondContact CA-O 3.38Å; R137-S149 PolarHBondContact N-O 2.85Å; R137-S149 PolarHBondContact O-N 3.47Å; S149-N151 PolarHBondContact O-N 2.84Å; S149-Y162 CarbonylContact C-O 3.59Å; S149-Y162 WeakPolarHBondContact CA-O 3.39Å; S149-Y162 VanDerWaalsContact CB-O 3.27Å; S149-Y162 WeakPolarHBondContact CB-O 3.46Å
150S98.9Very high95.3Very high0 Ų067.9 Ų67.90%034%0.337CS..EExtended strand (participates in β ladder)trans-54.7128.3178.1-178.40000109.7L152 Y153 Y162S150-L152 PolarHBondContact OG-N 3.47Å; S150-Y153 PolarHBondContact OG-N 3.14Å; S150-Y162 PolarHBondContact N-O 3.12Å
151N98.8Very high95.5Very high51 Ų5165 Ų6527%0.27332%0.323SS..EExtended strand (participates in β ladder)trans-69.3-31.5172.2-173.543.8000111V135 R137 S149 R161V135-N151 HydrophobicContact CB-CB 4.36Å; V135-N151 HydrophobicContact CG1-CB 4.13Å; V135-N151 VanDerWaalsContact O-CB 3.23Å; V135-N151 WeakPolarHBondContact O-CB 3.33Å; V135-N151 PolarHBondContact O-N 3.22Å; R137-N151 HydrophobicContact CG-CB 4.44Å; R137-N151 PolarHBondContact NE-OD1 2.9Å; R137-N151 PolarHBondContact NH2-OD1 3.32Å; S149-N151 PolarHBondContact O-N 2.84Å; N151-R161 PolarHBondContact O-NH1 3.42Å
152L98.6Very high96Very high73 Ų7365.2 Ų65.238%0.38232%0.323SS..EExtended strand (participates in β ladder)trans-86.6-47.9-174.4-174.257.4000112.7Q132 E133 S150Q132-L152 HydrophobicContact CB-CD2 4.21Å; E133-L152 HydrophobicContact CG-CD2 4.11Å; S150-L152 PolarHBondContact OG-N 3.47Å
153Y98.8Very high96.8Very high52 Ų5258.9 Ų58.920%0.20429%0.293CS..EExtended strand (participates in β ladder)trans-102.4141.4-169.5-57.8-58.4000114M118 N119 E120 E133 S150M118-Y153 WeakPolarHBondContact O-CD2 3.45Å; M118-Y153 VanDerWaalsContact O-CE2 3.29Å; M118-Y153 WeakPolarHBondContact O-CE2 3.39Å; N119-Y153 WeakPolarHBondContact O-CD2 3.27Å; E120-Y153 HydrophobicContact CB-CD1 4.35Å; E120-Y153 HydrophobicContact CB-CE1 3.83Å; E120-Y153 HydrophobicContact CB-CE2 4.45Å; E133-Y153 HydrophobicContact CG-CE2 3.86Å; E133-Y153 WeakPolarHBondContact OE1-CE2 3.27Å; E133-Y153 PolarHBondContact OE1-OH 3Å; S150-Y153 PolarHBondContact OG-N 3.14Å
154K98.6Very high97.6Very high99 Ų9953.4 Ų53.443%0.4326%0.263SS..EExtended strand (participates in β ladder)trans-158.2159.7175.766.3-177.2-177.8177.60109.6V156 R160K154-V156 PolarHBondContact O-N 3.43Å; K154-R160 CarbonylContact C-O 3.49Å; K154-R160 WeakPolarHBondContact CA-O 3.23Å; K154-R160 WeakPolarHBondContact CB-O 3.24Å
155H98.3Very high98.2Very high31 Ų3144.2 Ų44.214%0.14423%0.228CC..  trans-60.5122.2167.5-73.2-75.6000109.1D157 T158 G159 R160 Y162 T176H155-D157 WeakPolarHBondContact CB-OD1 3.13Å; H155-T158 WeakPolarHBondContact CB-OG1 3.37Å; H155-G159 WeakPolarHBondContact O-CA 3.36Å; H155-G159 PolarHBondContact O-N 3.26Å; H155-R160 HydrophobicContact CB-CB 4.25Å; H155-R160 PolarHBondContact CD2-NE 3.24Å; H155-R160 PolarHBondContact CD2-O 3.44Å; H155-R160 PolarHBondContact N-O 3.02Å; H155-R160 PolarHBondContact NE2-NH2 2.85Å; H155-Y162 HydrophobicContact CB-CE1 4.48Å; H155-Y162 AromaticContact CD2-CD1 3.72Å; H155-Y162 AromaticContact CD2-CE1 3.36Å; H155-Y162 WeakPolarHBondContact CD2-CE1 3.24Å; H155-Y162 AromaticContact CE1-CE1 3.69Å; H155-Y162 AromaticContact CG-CE1 3.76Å; H155-Y162 AromaticContact ND1-CE1 3.97Å; H155-Y162 AromaticContact NE2-CD1 3.69Å; H155-Y162 AromaticContact NE2-CE1 3.3Å; H155-Y162 VanDerWaalsContact NE2-CE1 3.3Å; H155-Y162 WeakPolarHBondContact NE2-CE1 3.41Å; H155-T176 PolarHBondContact CE1-O 3.06Å; H155-T176 PolarHBondContact NE2-O 2.66Å
156V97.4Very high98.4Very high144 Ų14443.5 Ų43.587%0.87323%0.226SC*.THydrogen-bonded Turntrans-68.8-37.6-174.7176.30000111.4K154K154-V156 PolarHBondContact O-N 3.43Å
157D97Very high98.4Very high134 Ų13444 Ų4472%0.71723%0.229SC*.THydrogen-bonded Turntrans-71.6-46-177.960.7-20.2000113.1H155H155-D157 WeakPolarHBondContact CB-OD1 3.13Å
158T97.4Very high98.4Very high89 Ų8952.6 Ų52.655%0.54627%0.266SS..THydrogen-bonded Turntrans-103.1-12.2-172.857.20000113.5H155 R160H155-T158 WeakPolarHBondContact CB-OG1 3.37Å; T158-R160 PolarHBondContact O-N 2.83Å; T158-R160 VanDerWaalsContact O-N 3.15Å; T158-R160 WeakPolarHBondContact OG1-CB 3.24Å; T158-R160 PolarHBondContact OG1-N 3.17Å
159G97.6Very high98.4Very high34 Ų3457.9 Ų57.935%0.35129%0.294SS..  trans68.81.6-17100000114.3H155 R161H155-G159 WeakPolarHBondContact O-CA 3.36Å; H155-G159 PolarHBondContact O-N 3.26Å; G159-R161 PolarHBondContact O-N 2.95Å
160R97.7Very high98.4Very high81 Ų8158 Ų5831%0.30630%0.296SS..PPolyproline II helixtrans-64.6128.9-178-175.9-179.773.9-152.13.2110.5K154 H155 T158 T176 T178K154-R160 CarbonylContact C-O 3.49Å; K154-R160 WeakPolarHBondContact CA-O 3.23Å; K154-R160 WeakPolarHBondContact CB-O 3.24Å; H155-R160 HydrophobicContact CB-CB 4.25Å; H155-R160 PolarHBondContact CD2-NE 3.24Å; H155-R160 PolarHBondContact CD2-O 3.44Å; H155-R160 PolarHBondContact N-O 3.02Å; H155-R160 PolarHBondContact NE2-NH2 2.85Å; T158-R160 PolarHBondContact O-N 2.83Å; T158-R160 VanDerWaalsContact O-N 3.15Å; T158-R160 WeakPolarHBondContact OG1-CB 3.24Å; T158-R160 PolarHBondContact OG1-N 3.17Å; R160-T176 PolarHBondContact NH2-O 3Å; R160-T178 PolarHBondContact NE-O 3.16Å
161R98.4Very high98.4Very high59 Ų5960.8 Ų60.822%0.22331%0.313CS..EExtended strand (participates in β ladder)trans-70.1155.5178.6-58.5-62-176.4154.5-3.8112.9N151 G159 Y163N151-R161 PolarHBondContact O-NH1 3.42Å; G159-R161 PolarHBondContact O-N 2.95Å; R161-Y163 HydrophobicContact CB-CE2 3.99Å; R161-Y163 WeakPolarHBondContact O-CD2 3.46Å; R161-Y163 VanDerWaalsContact O-CE2 3.31Å; R161-Y163 WeakPolarHBondContact O-CE2 3.13Å
162Y98.8Very high98.4Very high28 Ų2860.7 Ų60.711%0.1132%0.315CS..EExtended strand (participates in β ladder)trans-89.2128.2168.6-65.41.3000109M118 S149 S150 H155 G175 T176M118-Y162 VanDerWaalsContact SD-CB 3.56Å; M118-Y162 HydrophobicContact SD-CD2 4.36Å; S149-Y162 CarbonylContact C-O 3.59Å; S149-Y162 WeakPolarHBondContact CA-O 3.39Å; S149-Y162 VanDerWaalsContact CB-O 3.27Å; S149-Y162 WeakPolarHBondContact CB-O 3.46Å; S150-Y162 PolarHBondContact N-O 3.12Å; H155-Y162 HydrophobicContact CB-CE1 4.48Å; H155-Y162 AromaticContact CD2-CD1 3.72Å; H155-Y162 AromaticContact CD2-CE1 3.36Å; H155-Y162 WeakPolarHBondContact CD2-CE1 3.24Å; H155-Y162 AromaticContact CE1-CE1 3.69Å; H155-Y162 AromaticContact CG-CE1 3.76Å; H155-Y162 AromaticContact ND1-CE1 3.97Å; H155-Y162 AromaticContact NE2-CD1 3.69Å; H155-Y162 AromaticContact NE2-CE1 3.3Å; H155-Y162 VanDerWaalsContact NE2-CE1 3.3Å; H155-Y162 WeakPolarHBondContact NE2-CE1 3.41Å; Y162-G175 WeakPolarHBondContact CA-O 3.41Å; Y162-T176 HydrophobicContact CD2-CG2 4.09Å; Y162-T176 HydrophobicContact CE1-CG2 3.99Å; Y162-T176 HydrophobicContact CE2-CG2 3.44Å; Y162-T176 VanDerWaalsContact CE2-CG2 3.44Å
163Y98.9Very high98.4Very high17 Ų1759.3 Ų59.37%0.06731%0.305CS..EExtended strand (participates in β ladder)trans-106.4142.7-177.2-64.4-94.7000111.4T147 Y148 R161 G175 T178 R180 T185T147-Y163 HydrophobicContact CG2-CD1 4.43Å; T147-Y163 HydrophobicContact CG2-CE1 4.41Å; Y148-Y163 CarbonylContact O-C 3.4Å; Y148-Y163 WeakPolarHBondContact O-CA 3.28Å; R161-Y163 HydrophobicContact CB-CE2 3.99Å; R161-Y163 WeakPolarHBondContact O-CD2 3.46Å; R161-Y163 VanDerWaalsContact O-CE2 3.31Å; R161-Y163 WeakPolarHBondContact O-CE2 3.13Å; Y163-G175 WeakPolarHBondContact O-CA 3.34Å; Y163-T178 WeakPolarHBondContact CB-OG1 3.42Å; Y163-T178 PolarHBondContact N-OG1 3.34Å; Y163-R180 HydrophobicContact CE1-CB 4.14Å; Y163-R180 HydrophobicContact CE1-CG 3.9Å; Y163-R180 HydrophobicContact CE2-CB 4.21Å; Y163-R180 WeakPolarHBondContact OH-CB 3.38Å; Y163-T185 HydrophobicContact CG-CG2 4.09Å
164V98.9Very high98.4Very high1 Ų160.1 Ų60.11%0.00631%0.31CS..  trans-58.9135.6162.51790000107.2L116 M118 L124 F136 Y148 F187L116-V164 HydrophobicContact CD2-CG1 4.22Å; L116-V164 HydrophobicContact CD2-CG2 4.12Å; M118-V164 HydrophobicContact CE-CG2 4.03Å; L124-V164 HydrophobicContact CD1-CG1 3.88Å; L124-V164 HydrophobicContact CD2-CG1 4.41Å; L124-V164 HydrophobicContact CD2-CG2 4.14Å; F136-V164 HydrophobicContact CD1-CG2 3.71Å; F136-V164 HydrophobicContact CE1-CG2 3.57Å; F136-V164 HydrophobicContact CG-CG2 4.48Å; F136-V164 HydrophobicContact CZ-CG2 4.24Å; Y148-V164 PolarHBondContact O-N 3.06Å; V164-F187 HydrophobicContact CB-CE2 4.42Å; V164-F187 HydrophobicContact CG1-CE2 4.06Å; V164-F187 HydrophobicContact CG1-CZ 3.97Å; V164-F187 WeakPolarHBondContact O-CE2 3.41Å
165A98.9Very high98.4Very high0 Ų055.4 Ų55.40%029%0.29CS..  trans-157.1147.1-178.400000113.4R173 T178 F184 T185A165-R173 HydrophobicContact CB-CB 3.87Å; A165-R173 HydrophobicContact CB-CG 4.47Å; A165-R173 PolarHBondContact O-N 3.39Å; A165-T178 HydrophobicContact CB-CG2 3.74Å; A165-F184 WeakPolarHBondContact CA-O 3.46Å; A165-F184 HydrophobicContact CB-CB 4.41Å; A165-F184 HydrophobicContact CB-CD2 3.72Å; A165-F184 HydrophobicContact CB-CE2 4.47Å; A165-F184 HydrophobicContact CB-CG 4.46Å; A165-F184 VanDerWaalsContact CB-O 3.27Å; A165-F184 WeakPolarHBondContact CB-O 3.48Å; A165-T185 HydrophobicContact CB-CG2 4.28Å
166L98.9Very high98.4Very high0 Ų055.6 Ų55.60%029%0.293CS..BIsolated β-bridgetrans-119129.6170-66.2179.5000109.9C68 T70 F72 L74 T171 F184 F187C68-L166 HydrophobicContact CB-CB 4.17Å; C68-L166 HydrophobicContact CB-CD1 4.06Å; C68-L166 HydrophobicContact CB-CG 4.48Å; T70-L166 WeakPolarHBondContact CG2-O 3.24Å; T70-L166 PolarHBondContact OG1-O 3.4Å; F72-L166 HydrophobicContact CB-CD1 4.03Å; L74-L166 HydrophobicContact CB-CD1 4.43Å; L74-L166 HydrophobicContact CD1-CD1 4.18Å; L74-L166 HydrophobicContact CD1-CD2 3.98Å; L74-L166 HydrophobicContact CD1-CG 4.14Å; L166-T171 WeakPolarHBondContact CA-O 3.45Å; L166-F184 PolarHBondContact N-O 3.01Å; L166-F184 WeakPolarHBondContact O-CB 3.42Å; L166-F187 HydrophobicContact CD1-CE1 4.16Å; L166-F187 HydrophobicContact CG-CE1 4.22Å; L166-F187 HydrophobicContact CG-CZ 4.15Å
167N98.8Very high98.5Very high31 Ų3155.2 Ų55.217%0.16628%0.276CS..  trans-64.2174.6175.7-70.3-48.6000111.6T70 D169 G170 T171 R173T70-N167 PolarHBondContact OG1-O 3.02Å; N167-D169 WeakPolarHBondContact CB-OD1 3.37Å; N167-D169 PolarHBondContact O-N 3.04Å; N167-G170 PolarHBondContact O-N 2.95Å; N167-G170 VanDerWaalsContact O-N 3.16Å; N167-T171 PolarHBondContact N-O 2.75Å; N167-T171 PolarHBondContact ND2-O 2.82Å; N167-T171 PolarHBondContact ND2-OG1 2.9Å; N167-R173 WeakPolarHBondContact OD1-CD 3.32Å; N167-R173 PolarHBondContact OD1-NH1 3.22Å
168K98.4Very high98.5Very high180 Ų18048.9 Ų48.978%0.78324%0.242SC*.THydrogen-bonded Turntrans-69.7-15.2178.7-68.7-175.9179.9179.20113.9T70 F72T70-K168 HydrophobicContact CG2-CG 4.34Å; F72-K168 VanDerWaalsContact CE2-O 3.23Å; F72-K168 WeakPolarHBondContact CE2-O 3.39Å
169D98.5Very high98.6Very high110 Ų11049 Ų4959%0.58824%0.235SC*.THydrogen-bonded Turntrans-96.20174.860.24.8000112.7F72 N167 T171F72-D169 VanDerWaalsContact CZ-C 3.45Å; N167-D169 WeakPolarHBondContact CB-OD1 3.37Å; N167-D169 PolarHBondContact O-N 3.04Å; D169-T171 WeakPolarHBondContact OD1-CB 3.08Å; D169-T171 PolarHBondContact OD1-N 2.78Å; D169-T171 PolarHBondContact OD1-OG1 3.03Å; D169-T171 PolarHBondContact OD2-OG1 2.79Å
170G98.4Very high98.6Very high4 Ų451 Ų514%0.04123%0.232CC..SBendtrans88.3-4.1-179.400000114.5G84 N167G84-G170 VanDerWaalsContact CA-O 3.28Å; G84-G170 WeakPolarHBondContact CA-O 3.4Å; G84-G170 PolarHBondContact N-O 3.26Å; N167-G170 PolarHBondContact O-N 2.95Å; N167-G170 VanDerWaalsContact O-N 3.16Å
171T98.8Very high98.5Very high59 Ų5953.6 Ų53.636%0.36225%0.247SC..  trans-72.3148.3177.460.40000111.8L166 N167 D169L166-T171 WeakPolarHBondContact CA-O 3.45Å; N167-T171 PolarHBondContact N-O 2.75Å; N167-T171 PolarHBondContact ND2-O 2.82Å; N167-T171 PolarHBondContact ND2-OG1 2.9Å; D169-T171 WeakPolarHBondContact OD1-CB 3.08Å; D169-T171 PolarHBondContact OD1-N 2.78Å; D169-T171 PolarHBondContact OD1-OG1 3.03Å; D169-T171 PolarHBondContact OD2-OG1 2.79Å
172P98.8Very high98.5Very high49 Ų4953.4 Ų53.432%0.31825%0.249SC..BIsolated β-bridgetrans-63.7140.817329.8-36.2000110.3I82 L124I82-P172 HydrophobicContact CB-CB 4.5Å; I82-P172 HydrophobicContact CG2-CB 4.43Å; I82-P172 WeakPolarHBondContact O-CD 3.39Å; I82-P172 WeakPolarHBondContact O-CG 3.39Å; L124-P172 HydrophobicContact CB-CB 4.48Å; L124-P172 HydrophobicContact CD1-CB 4.3Å
173R98.8Very high98.4Very high44 Ų4459.2 Ų59.217%0.16628%0.275CS..  trans-107.4141.2177.7-177.5177.1-172.575.47.2110.4A165 N167 G175 R177 T178A165-R173 HydrophobicContact CB-CB 3.87Å; A165-R173 HydrophobicContact CB-CG 4.47Å; A165-R173 PolarHBondContact O-N 3.39Å; N167-R173 WeakPolarHBondContact OD1-CD 3.32Å; N167-R173 PolarHBondContact OD1-NH1 3.22Å; R173-G175 PolarHBondContact O-N 3.31Å; R173-R177 PolarHBondContact NE-O 3.37Å; R173-R177 VanDerWaalsContact NE-O 3.09Å; R173-R177 PolarHBondContact NH2-O 3.03Å; R173-T178 HydrophobicContact CG-CG2 4.3Å
174E98.8Very high98.4Very high69 Ų6960 Ų6032%0.32228%0.278SS..  trans-65.5125.8177.2-49.787.9167.100110.8G122 T176 R177G122-E174 CarbonylContact O-C 3.57Å; G122-E174 WeakPolarHBondContact O-CA 3.21Å; E174-T176 PolarHBondContact O-N 3.4Å; E174-T176 VanDerWaalsContact O-N 3.15Å; E174-R177 PolarHBondContact O-N 3.43Å; E174-R177 IonicContact OE1-NH1 2.73Å; E174-R177 WeakPolarHBondContact OE2-CD 3.31Å; E174-R177 IonicContact OE2-CZ 2.79Å; E174-R177 IonicContact OE2-NH1 3.86Å; E174-R177 PolarHBondContact OE2-NH1 3Å
175G98.8Very high98.4Very high0 Ų059.9 Ų59.90%028%0.278CS..G310 helixtrans-58.9-27.6-178.700000113.4G122 Y162 Y163 R173 R177 T178G122-G175 PolarHBondContact O-N 3.31Å; Y162-G175 WeakPolarHBondContact CA-O 3.41Å; Y163-G175 WeakPolarHBondContact O-CA 3.34Å; R173-G175 PolarHBondContact O-N 3.31Å; G175-R177 PolarHBondContact O-N 2.68Å; G175-T178 PolarHBondContact O-N 3.3Å; G175-T178 PolarHBondContact O-OG1 3.03Å
176T98.6Very high98.3Very high35 Ų3561.1 Ų61.122%0.21528%0.284CS..G310 helixtrans-56.8-29.6171.848.40000112.6K121 H155 R160 Y162 E174K121-T176 WeakPolarHBondContact O-CG2 3.34Å; K121-T176 PolarHBondContact O-OG1 3.32Å; H155-T176 PolarHBondContact CE1-O 3.06Å; H155-T176 PolarHBondContact NE2-O 2.66Å; R160-T176 PolarHBondContact NH2-O 3Å; Y162-T176 HydrophobicContact CD2-CG2 4.09Å; Y162-T176 HydrophobicContact CE1-CG2 3.99Å; Y162-T176 HydrophobicContact CE2-CG2 3.44Å; Y162-T176 VanDerWaalsContact CE2-CG2 3.44Å; E174-T176 PolarHBondContact O-N 3.4Å; E174-T176 VanDerWaalsContact O-N 3.15Å
177R98.6Very high98.3Very high136 Ų13661.1 Ų61.151%0.51328%0.284SS..G310 helixtrans-104.828.9-172.9-60.4170.866.2-153.29.7113R173 E174 G175R173-R177 PolarHBondContact NE-O 3.37Å; R173-R177 VanDerWaalsContact NE-O 3.09Å; R173-R177 PolarHBondContact NH2-O 3.03Å; E174-R177 PolarHBondContact O-N 3.43Å; E174-R177 IonicContact OE1-NH1 2.73Å; E174-R177 WeakPolarHBondContact OE2-CD 3.31Å; E174-R177 IonicContact OE2-CZ 2.79Å; E174-R177 IonicContact OE2-NH1 3.86Å; E174-R177 PolarHBondContact OE2-NH1 3Å; G175-R177 PolarHBondContact O-N 2.68Å
178T98.6Very high98.3Very high0 Ų062 Ų620%029%0.288CS..  trans-121.9155-177.1660000112.7R160 Y163 A165 R173 G175 F184 T185R160-T178 PolarHBondContact NE-O 3.16Å; Y163-T178 WeakPolarHBondContact CB-OG1 3.42Å; Y163-T178 PolarHBondContact N-OG1 3.34Å; A165-T178 HydrophobicContact CB-CG2 3.74Å; R173-T178 HydrophobicContact CG-CG2 4.3Å; G175-T178 PolarHBondContact O-N 3.3Å; G175-T178 PolarHBondContact O-OG1 3.03Å; T178-F184 HydrophobicContact CG2-CD2 4.34Å; T178-F184 HydrophobicContact CG2-CE2 3.81Å; T178-T185 HydrophobicContact CG2-CG2 4.2Å
179K98.2Very high98.2Very high91 Ų9155.2 Ų55.240%0.39626%0.263SS..  trans-138.9147.1171.7-56.4-175.5-179.3-179.30108.9H181 Q182 T185K179-H181 VanDerWaalsContact C-N 3.32Å; K179-H181 PolarHBondContact O-N 2.93Å; K179-Q182 HydrophobicContact CB-CG 4.11Å; K179-Q182 WeakPolarHBondContact O-CB 3.37Å; K179-Q182 PolarHBondContact O-N 3.01Å; K179-T185 PolarHBondContact O-OG1 3.38Å
180R97.3Very high98.2Very high77 Ų7753.7 Ų53.729%0.29125%0.249SC..THydrogen-bonded Turntrans-50.7-42-174.1-159.5-175.3-172.3-97.83.1115.2F140 E141 T147 Y163 Q182 T185 H186F140-R180 PolarHBondContact O-NH2 2.88Å; E141-R180 IonicContact OE1-CZ 3.58Å; E141-R180 IonicContact OE1-NH1 2.8Å; E141-R180 PolarHBondContact OE1-NH1 3.5Å; E141-R180 WeakPolarHBondContact OE2-CG 3.39Å; E141-R180 IonicContact OE2-CZ 2.7Å; E141-R180 VanDerWaalsContact OE2-CZ 3.31Å; E141-R180 IonicContact OE2-NE 3.31Å; E141-R180 IonicContact OE2-NH1 3.66Å; E141-R180 PolarHBondContact OE2-NH1 3.01Å; T147-R180 HydrophobicContact CG2-CG 4.04Å; Y163-R180 HydrophobicContact CE1-CB 4.14Å; Y163-R180 HydrophobicContact CE1-CG 3.9Å; Y163-R180 HydrophobicContact CE2-CB 4.21Å; Y163-R180 WeakPolarHBondContact OH-CB 3.38Å; R180-Q182 VanDerWaalsContact C-N 3.26Å; R180-Q182 PolarHBondContact O-N 2.67Å; R180-T185 PolarHBondContact O-OG1 2.84Å; R180-H186 PolarHBondContact O-CD2 3.18Å; R180-H186 PolarHBondContact O-NE2 2.93Å
181H96.3Very high98.1Very high136 Ų13658.2 Ų58.263%0.6328%0.277SS*.THydrogen-bonded Turntrans-78.1-5.6-176.163.1-98.3000114.1K179K179-H181 VanDerWaalsContact C-N 3.32Å; K179-H181 PolarHBondContact O-N 2.93Å
182Q97.7Very high97.9Very high54 Ų5456.4 Ų56.425%0.25227%0.266SS..SBendtrans-81.2132-175.8-65.5178.4-58.600110.3K179 R180 F184 T185K179-Q182 HydrophobicContact CB-CG 4.11Å; K179-Q182 WeakPolarHBondContact O-CB 3.37Å; K179-Q182 PolarHBondContact O-N 3.01Å; R180-Q182 VanDerWaalsContact C-N 3.26Å; R180-Q182 PolarHBondContact O-N 2.67Å; Q182-F184 HydrophobicContact CB-CD1 4.37Å; Q182-F184 HydrophobicContact CB-CD2 4.03Å; Q182-F184 HydrophobicContact CB-CE1 4Å; Q182-F184 HydrophobicContact CB-CE2 3.58Å; Q182-F184 HydrophobicContact CB-CG 4.4Å; Q182-F184 HydrophobicContact CB-CZ 3.61Å; Q182-F184 HydrophobicContact CG-CE1 4.47Å; Q182-F184 HydrophobicContact CG-CE2 4.29Å; Q182-F184 HydrophobicContact CG-CZ 3.97Å; Q182-F184 PolarHBondContact O-N 3.32Å; Q182-F184 VanDerWaalsContact OE1-CE2 3.27Å; Q182-T185 PolarHBondContact O-N 2.98Å; Q182-T185 PolarHBondContact O-OG1 3.41Å
183K97.4Very high97.7Very high150 Ų15056.9 Ų56.965%0.65227%0.266SS*.G310 helixtrans-53.6-32.6-175.1-65-176.7179.1179.80114.2R69 T185 H186R69-K183 HydrophobicContact CB-CB 4.41Å; R69-K183 WeakPolarHBondContact CB-O 3.34Å; R69-K183 HydrophobicContact CG-CB 4.21Å; R69-K183 HydrophobicContact CG-CG 4.45Å; K183-T185 PolarHBondContact O-N 2.86Å; K183-H186 WeakPolarHBondContact O-CB 3.29Å; K183-H186 PolarHBondContact O-N 3.46Å; K183-H186 VanDerWaalsContact O-N 3.14Å
184F98.4Very high97.4Very high33 Ų3357.4 Ų57.415%0.14528%0.275CS..G310 helixtrans-68.8-11178.851.3-119.5000114.7C68 T70 A165 L166 T178 Q182C68-F184 PolarHBondContact SG-O 3.09Å; T70-F184 HydrophobicContact CG2-CB 3.85Å; A165-F184 WeakPolarHBondContact CA-O 3.46Å; A165-F184 HydrophobicContact CB-CB 4.41Å; A165-F184 HydrophobicContact CB-CD2 3.72Å; A165-F184 HydrophobicContact CB-CE2 4.47Å; A165-F184 HydrophobicContact CB-CG 4.46Å; A165-F184 VanDerWaalsContact CB-O 3.27Å; A165-F184 WeakPolarHBondContact CB-O 3.48Å; L166-F184 PolarHBondContact N-O 3.01Å; L166-F184 WeakPolarHBondContact O-CB 3.42Å; T178-F184 HydrophobicContact CG2-CD2 4.34Å; T178-F184 HydrophobicContact CG2-CE2 3.81Å; Q182-F184 HydrophobicContact CB-CD1 4.37Å; Q182-F184 HydrophobicContact CB-CD2 4.03Å; Q182-F184 HydrophobicContact CB-CE1 4Å; Q182-F184 HydrophobicContact CB-CE2 3.58Å; Q182-F184 HydrophobicContact CB-CG 4.4Å; Q182-F184 HydrophobicContact CB-CZ 3.61Å; Q182-F184 HydrophobicContact CG-CE1 4.47Å; Q182-F184 HydrophobicContact CG-CE2 4.29Å; Q182-F184 HydrophobicContact CG-CZ 3.97Å; Q182-F184 PolarHBondContact O-N 3.32Å; Q182-F184 VanDerWaalsContact OE1-CE2 3.27Å
185T98.6Very high97Very high0 Ų062.2 Ų62.20%030%0.298CS..G310 helixtrans-95.2-2.6173.865.30000112.7Y163 A165 T178 K179 R180 Q182 K183 F187Y163-T185 HydrophobicContact CG-CG2 4.09Å; A165-T185 HydrophobicContact CB-CG2 4.28Å; T178-T185 HydrophobicContact CG2-CG2 4.2Å; K179-T185 PolarHBondContact O-OG1 3.38Å; R180-T185 PolarHBondContact O-OG1 2.84Å; Q182-T185 PolarHBondContact O-N 2.98Å; Q182-T185 PolarHBondContact O-OG1 3.41Å; K183-T185 PolarHBondContact O-N 2.86Å; T185-F187 WeakPolarHBondContact O-CD2 3.44Å
186H98.6Very high96.7Very high25 Ų2567.9 Ų67.912%0.11632%0.322CS..  trans-95118.2-174.7-60.4169.3000109.2C68 R69 E141 Y145 R180 K183C68-H186 CarbonylContact C-O 3.51Å; C68-H186 WeakPolarHBondContact CA-O 3.38Å; R69-H186 HydrophobicContact CB-CB 3.9Å; R69-H186 PolarHBondContact N-O 2.77Å; E141-H186 IonicContact OE2-NE2 3.86Å; Y145-H186 HydrophobicContact CD1-CB 3.66Å; Y145-H186 HydrophobicContact CG-CB 4.01Å; R180-H186 PolarHBondContact O-CD2 3.18Å; R180-H186 PolarHBondContact O-NE2 2.93Å; K183-H186 WeakPolarHBondContact O-CB 3.29Å; K183-H186 PolarHBondContact O-N 3.46Å; K183-H186 VanDerWaalsContact O-N 3.14Å
187F98.7Very high96.4Very high0 Ų066.3 Ų66.30%031%0.312CS..EExtended strand (participates in β ladder)trans-122.8135178.9-70.6-94.7000111.6L66 Y67 C68 L74 N146 Y148 V164 L166 T185L66-F187 HydrophobicContact CB-CD1 4.5Å; L66-F187 HydrophobicContact CD1-CB 3.81Å; L66-F187 HydrophobicContact CD2-CB 4.35Å; L66-F187 HydrophobicContact CD2-CD1 4.11Å; L66-F187 HydrophobicContact CD2-CG 4.31Å; L66-F187 HydrophobicContact CG-CB 3.79Å; L66-F187 HydrophobicContact CG-CD1 3.7Å; L66-F187 HydrophobicContact CG-CG 4.02Å; Y67-F187 CarbonylContact O-C 3.46Å; Y67-F187 VanDerWaalsContact O-CA 3.3Å; Y67-F187 WeakPolarHBondContact O-CA 3.37Å; C68-F187 HydrophobicContact CB-CD1 3.77Å; C68-F187 HydrophobicContact CB-CE1 3.48Å; C68-F187 VanDerWaalsContact CB-CE1 3.48Å; C68-F187 HydrophobicContact CB-CZ 3.98Å; L74-F187 HydrophobicContact CB-CE1 4.46Å; N146-F187 PolarHBondContact N-O 2.79Å; N146-F187 PolarHBondContact O-N 3.15Å; Y148-F187 HydrophobicContact CD2-CB 4.11Å; Y148-F187 HydrophobicContact CD2-CD2 4.29Å; Y148-F187 HydrophobicContact CD2-CG 4.43Å; Y148-F187 HydrophobicContact CE2-CB 3.81Å; V164-F187 HydrophobicContact CB-CE2 4.42Å; V164-F187 HydrophobicContact CG1-CE2 4.06Å; V164-F187 HydrophobicContact CG1-CZ 3.97Å; V164-F187 WeakPolarHBondContact O-CE2 3.41Å; L166-F187 HydrophobicContact CD1-CE1 4.16Å; L166-F187 HydrophobicContact CG-CE1 4.22Å; L166-F187 HydrophobicContact CG-CZ 4.15Å; T185-F187 WeakPolarHBondContact O-CD2 3.44Å
188L98Very high96Very high49 Ų4962.8 Ų62.826%0.25731%0.307SS..EExtended strand (participates in β ladder)trans-103.7114.7174.9178.265.3000108.8Y67 W144 Y145 R190Y67-L188 HydrophobicContact CD1-CB 4.37Å; Y67-L188 PolarHBondContact N-O 2.49Å; Y67-L188 PolarHBondContact O-N 3.24Å; W144-L188 HydrophobicContact CB-CD1 4.25Å; W144-L188 WeakPolarHBondContact O-CD1 3.41Å; Y145-L188 HydrophobicContact CD1-CB 3.98Å; Y145-L188 HydrophobicContact CE1-CB 3.69Å; Y145-L188 HydrophobicContact CE2-CB 4.48Å; L188-R190 HydrophobicContact CD2-CG 4.25Å; L188-R190 HydrophobicContact CG-CG 4.2Å; L188-R190 PolarHBondContact O-N 3.49Å
189P96.9Very high95.5Very high39 Ų3966.2 Ų66.225%0.25332%0.323SS..EExtended strand (participates in β ladder)trans-64.6116.3168.7-20.333.6000109.8R64 L66 Y148R64-P189 HydrophobicContact CG-CB 4.36Å; L66-P189 HydrophobicContact CD1-CB 4.45Å; L66-P189 HydrophobicContact CD1-CG 4.09Å; Y148-P189 WeakPolarHBondContact OH-CG 3.38Å
190R97.3Very high95Very high78 Ų7863 Ų6329%0.29431%0.31SS..EExtended strand (participates in β ladder)trans-105148.2178.7-67.8-176.364.7-146.1-15.3110.6R64 Q65 H73 D88 L188R64-R190 CarbonylContact C-O 3.57Å; R64-R190 VanDerWaalsContact CA-O 3.26Å; R64-R190 WeakPolarHBondContact CA-O 3.43Å; R64-R190 WeakPolarHBondContact CB-O 3.22Å; R64-R190 WeakPolarHBondContact CD-O 3.4Å; Q65-R190 HydrophobicContact CB-CB 4.38Å; Q65-R190 PolarHBondContact N-O 3.09Å; Q65-R190 PolarHBondContact O-N 3.27Å; H73-R190 PolarHBondContact CE1-NH1 3.22Å; H73-R190 VanDerWaalsContact CE1-NH1 3.33Å; H73-R190 PolarHBondContact NE2-NH1 3.36Å; D88-R190 IonicContact OD1-CZ 3.2Å; D88-R190 IonicContact OD1-NH1 3.78Å; D88-R190 PolarHBondContact OD1-NH1 3.46Å; D88-R190 IonicContact OD1-NH2 2.92Å; D88-R190 PolarHBondContact OD1-NH2 3.3Å; D88-R190 IonicContact OD2-NH2 3.94Å; L188-R190 HydrophobicContact CD2-CG 4.25Å; L188-R190 HydrophobicContact CG-CG 4.2Å; L188-R190 PolarHBondContact O-N 3.49Å
191P96Very high94.3Very high99 Ų9959.9 Ų59.964%0.64330%0.299SS*.  trans-64.5160.2175.628.8-35.3000111.6Q65Q65-P191 PolarHBondContact NE2-O 3.06Å; Q65-P191 VanDerWaalsContact NE2-O 3.1Å
192V96.4Very high93.4Very high21 Ų2159.5 Ų59.513%0.12730%0.295CS..  trans-113.3128.3173.4-179.60000107.6R63 Q65 I94 P194 V197 Y201R63-V192 HydrophobicContact CB-CG2 4.28Å; Q65-V192 HydrophobicContact CG-CG2 3.89Å; I94-V192 HydrophobicContact CD1-CG1 3.89Å; I94-V192 HydrophobicContact CD1-CG2 4.08Å; I94-V192 HydrophobicContact CG2-CG1 4.22Å; I94-V192 HydrophobicContact CG2-CG2 4.21Å; V192-P194 WeakPolarHBondContact O-CD 3.14Å; V192-V197 HydrophobicContact CG1-CG2 3.87Å; V192-Y201 HydrophobicContact CG1-CE2 4.26Å; V192-Y201 WeakPolarHBondContact CG1-OH 3.3Å
193D94.4Very high91.9Very high59 Ų5963 Ų6332%0.31632%0.315SS..  trans-90.4111.9170.5-177.6-7.9000108.8H89 E195 K196H89-D193 WeakPolarHBondContact NE2-CB 3.36Å; H89-D193 PolarHBondContact NE2-N 3.38Å; D193-E195 PolarHBondContact O-N 3.18Å; D193-E195 PolarHBondContact OD1-N 2.89Å; D193-E195 VanDerWaalsContact OD1-N 3.16Å; D193-K196 HydrophobicContact CB-CD 4.1Å; D193-K196 HydrophobicContact CB-CG 4.18Å; D193-K196 PolarHBondContact O-N 3.15Å; D193-K196 WeakPolarHBondContact OD2-CE 3.41Å
194P90.8Very high90.4Very high54 Ų5457.8 Ų57.835%0.35129%0.294SS..G310 helixtrans-59.4-28.6-177.6-24.735.5000114V192 K196 V197 Y201V192-P194 WeakPolarHBondContact O-CD 3.14Å; P194-K196 PolarHBondContact O-N 3.42Å; P194-V197 CarbonylContact O-C 3.47Å; P194-V197 PolarHBondContact O-N 2.81Å; P194-Y201 HydrophobicContact CB-CD1 4.04Å; P194-Y201 HydrophobicContact CB-CD2 4.13Å; P194-Y201 HydrophobicContact CB-CE1 4.06Å; P194-Y201 HydrophobicContact CB-CE2 4.2Å; P194-Y201 HydrophobicContact CB-CG 4.06Å; P194-Y201 HydrophobicContact CG-CD1 4.39Å; P194-Y201 HydrophobicContact CG-CE1 3.99Å
195E91.3Very high88.5Confident171 Ų17161.3 Ų61.380%0.79931%0.314SS*.G310 helixtrans-67.3-23.9-179.3-63.2-175.2177.200112.4D193D193-E195 PolarHBondContact O-N 3.18Å; D193-E195 PolarHBondContact OD1-N 2.89Å; D193-E195 VanDerWaalsContact OD1-N 3.16Å
196K93.4Very high86.5Confident118 Ų11865.8 Ų65.851%0.51335%0.345SS..G310 helixtrans-85.4-15.5-179.7-66.2-175.5-179.2177.10114.2H89 D193 P194 P198H89-K196 HydrophobicContact CB-CB 4.02Å; H89-K196 HydrophobicContact CB-CD 4.44Å; D193-K196 HydrophobicContact CB-CD 4.1Å; D193-K196 HydrophobicContact CB-CG 4.18Å; D193-K196 PolarHBondContact O-N 3.15Å; D193-K196 WeakPolarHBondContact OD2-CE 3.41Å; P194-K196 PolarHBondContact O-N 3.42Å; K196-P198 VanDerWaalsContact C-CD 3.48Å
197V92.2Very high84.3Confident2 Ų271.7 Ų71.71%0.01237%0.373CS..  trans-136.853.6-178.7-75.30000110.7H89 I94 V192 P194 E199 L200 Y201H89-V197 HydrophobicContact CB-CG1 4.11Å; H89-V197 WeakPolarHBondContact O-CG1 3.31Å; I94-V197 HydrophobicContact CD1-CG1 4.23Å; I94-V197 HydrophobicContact CD1-CG2 4.45Å; I94-V197 HydrophobicContact CG1-CG1 4.05Å; I94-V197 HydrophobicContact CG1-CG2 4.31Å; V192-V197 HydrophobicContact CG1-CG2 3.87Å; P194-V197 CarbonylContact O-C 3.47Å; P194-V197 PolarHBondContact O-N 2.81Å; V197-E199 WeakPolarHBondContact CA-OE1 3.17Å; V197-E199 PolarHBondContact O-N 3.17Å; V197-E199 VanDerWaalsContact O-N 3.13Å; V197-L200 HydrophobicContact CB-CD1 4.3Å; V197-L200 HydrophobicContact CB-CG 4.5Å; V197-L200 PolarHBondContact O-N 3.33Å; V197-Y201 HydrophobicContact CG2-CD2 4.13Å; V197-Y201 HydrophobicContact CG2-CE2 3.69Å; V197-Y201 WeakPolarHBondContact O-CD2 3.46Å
198P89.4Confident81.8Confident62 Ų6278.9 Ų78.940%0.40342%0.423SS..G310 helixtrans-58.7-33.3-169.725.1-35.2000112.5K196 L200 Y201 K202K196-P198 VanDerWaalsContact C-CD 3.48Å; P198-L200 PolarHBondContact O-N 3.42Å; P198-Y201 CarbonylContact O-C 3.57Å; P198-Y201 PolarHBondContact O-N 3.15Å; P198-K202 WeakPolarHBondContact O-CG 3.42Å; P198-K202 PolarHBondContact O-N 2.81Å; P198-K202 VanDerWaalsContact O-N 3.13Å
199E88.9Confident81Confident73 Ų7380.4 Ų80.434%0.34143%0.432SS..G310 helixtrans-56.4-29.5177.167.1-69.616200114.5V197 Y201V197-E199 WeakPolarHBondContact CA-OE1 3.17Å; V197-E199 PolarHBondContact O-N 3.17Å; V197-E199 VanDerWaalsContact O-N 3.13Å; E199-Y201 VanDerWaalsContact C-N 3.3Å
200L86.5Confident80.2Confident22 Ų2282.6 Ų82.612%0.11544%0.441CS..G310 helixtrans-85.9-4.7178.2-57.2-176.9000113R63 I94 V110 D111 V197 P198R63-L200 PolarHBondContact NH1-O 3.42Å; R63-L200 PolarHBondContact NH2-O 2.76Å; I94-L200 HydrophobicContact CB-CD1 3.67Å; I94-L200 HydrophobicContact CG1-CD1 3.63Å; I94-L200 HydrophobicContact CG2-CD1 4.02Å; V110-L200 HydrophobicContact CB-CD1 4.5Å; V110-L200 HydrophobicContact CG1-CB 4.21Å; V110-L200 HydrophobicContact CG1-CD1 4.31Å; V110-L200 HydrophobicContact CG1-CD2 4.42Å; D111-L200 HydrophobicContact CB-CD2 3.8Å; V197-L200 HydrophobicContact CB-CD1 4.3Å; V197-L200 HydrophobicContact CB-CG 4.5Å; V197-L200 PolarHBondContact O-N 3.33Å; P198-L200 PolarHBondContact O-N 3.42Å
201Y83.3Confident79.2Confident13 Ų1382.8 Ų82.85%0.05145%0.449CS..THydrogen-bonded Turntrans-122.82.2-176.9-68.4-99.8000113.9I60 R63 V192 P194 V197 P198 E199 D203 I204 L205I60-Y201 HydrophobicContact CG2-CD1 4.31Å; I60-Y201 HydrophobicContact CG2-CE1 3.74Å; R63-Y201 VanDerWaalsContact CD-OH 3.23Å; R63-Y201 WeakPolarHBondContact CD-OH 3.41Å; R63-Y201 VanDerWaalsContact NH1-CE1 3.31Å; R63-Y201 VanDerWaalsContact NH1-CZ 3.3Å; V192-Y201 HydrophobicContact CG1-CE2 4.26Å; V192-Y201 WeakPolarHBondContact CG1-OH 3.3Å; P194-Y201 HydrophobicContact CB-CD1 4.04Å; P194-Y201 HydrophobicContact CB-CD2 4.13Å; P194-Y201 HydrophobicContact CB-CE1 4.06Å; P194-Y201 HydrophobicContact CB-CE2 4.2Å; P194-Y201 HydrophobicContact CB-CG 4.06Å; P194-Y201 HydrophobicContact CG-CD1 4.39Å; P194-Y201 HydrophobicContact CG-CE1 3.99Å; V197-Y201 HydrophobicContact CG2-CD2 4.13Å; V197-Y201 HydrophobicContact CG2-CE2 3.69Å; V197-Y201 WeakPolarHBondContact O-CD2 3.46Å; P198-Y201 CarbonylContact O-C 3.57Å; P198-Y201 PolarHBondContact O-N 3.15Å; E199-Y201 VanDerWaalsContact C-N 3.3Å; Y201-D203 VanDerWaalsContact C-N 3.28Å; Y201-D203 PolarHBondContact O-N 2.93Å; Y201-I204 HydrophobicContact CD1-CD1 3.87Å; Y201-I204 HydrophobicContact CG-CD1 4.45Å; Y201-I204 PolarHBondContact O-N 3.18Å; Y201-L205 PolarHBondContact O-N 2.89Å
202K77.1Confident78.2Confident128 Ų12881.9 Ų81.956%0.55744%0.438SS*.Hα-helixtrans-55-39.3-178.2-74.7176.8179.4171.50113.7P198 I204 S206P198-K202 WeakPolarHBondContact O-CG 3.42Å; P198-K202 PolarHBondContact O-N 2.81Å; P198-K202 VanDerWaalsContact O-N 3.13Å; K202-I204 PolarHBondContact O-N 2.86Å; K202-S206 VanDerWaalsContact O-CB 3.31Å; K202-S206 WeakPolarHBondContact O-CB 3.47Å; K202-S206 PolarHBondContact O-N 3.31Å; K202-S206 PolarHBondContact O-OG 2.83Å
203D67.1Low77.1Confident126 Ų12685.7 Ų85.767%0.67446%0.457SS*.Hα-helixtrans-70.8-16.7-177-58-24000112.8Y201Y201-D203 VanDerWaalsContact C-N 3.28Å; Y201-D203 PolarHBondContact O-N 2.93Å
204I64.4Low75.9Confident41 Ų4187.5 Ų87.521%0.2147%0.467CS..Hα-helixtrans-97.4-44.2-179.6-56144.4000109.8I60 Y201 K202 S206 Q207 S208I60-I204 HydrophobicContact CD1-CD1 3.1Å; I60-I204 HydrophobicContact CD1-CG1 3.44Å; I60-I204 VanDerWaalsContact CD1-CG1 3.44Å; I60-I204 HydrophobicContact CD1-CG2 4.32Å; I60-I204 HydrophobicContact CG1-CD1 3.57Å; I60-I204 HydrophobicContact CG1-CG1 4.43Å; Y201-I204 HydrophobicContact CD1-CD1 3.87Å; Y201-I204 HydrophobicContact CG-CD1 4.45Å; Y201-I204 PolarHBondContact O-N 3.18Å; K202-I204 PolarHBondContact O-N 2.86Å; I204-S206 VanDerWaalsContact C-N 3.32Å; I204-S206 PolarHBondContact O-N 3Å; I204-Q207 PolarHBondContact O-N 3.16Å; I204-S208 PolarHBondContact O-OG 2.82Å
205L59.4Low74.9Confident107 Ų10789.9 Ų89.956%0.5648%0.475SS*.Hα-helixtrans-74.7-20.4-177.9-65.5172.8000113.4Y201 S208Y201-L205 PolarHBondContact O-N 2.89Å; L205-S208 PolarHBondContact O-OG 2.79Å
206S57Low73.6Confident95 Ų9583.6 Ų83.666%0.66445%0.45SS*.THydrogen-bonded Turntrans-84.2-10.4175.458.50000114.1K202 I204K202-S206 VanDerWaalsContact O-CB 3.31Å; K202-S206 WeakPolarHBondContact O-CB 3.47Å; K202-S206 PolarHBondContact O-N 3.31Å; K202-S206 PolarHBondContact O-OG 2.83Å; I204-S206 VanDerWaalsContact C-N 3.32Å; I204-S206 PolarHBondContact O-N 3Å
207Q50.7Low72Confident149 Ų14980.8 Ų80.870%0.69645%0.445SS*.  trans-99.62.9176.8-67.1-171.6-2.500113.4I204I204-Q207 PolarHBondContact O-N 3.16Å
208S47.7Very low70.1Confident151 Ų15187.9 Ų87.9100%1.05648%0.484SS*.  trans-105.80176.823.10000112.9I204 L205I204-S208 PolarHBondContact O-OG 2.82Å; L205-S208 PolarHBondContact O-OG 2.79Å

Retrieved 208 of 208 residues in 287.2 ms (Link to these results)