A0A077ZLQ9_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLQ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.8Very low31Very low238 Ų238133.8 Ų133.8100%1.17281%0.807SS**  089.60-79.2167150.200106.9
2N33.8Very low30.4Very low162 Ų162137.5 Ų137.587%0.86681%0.809SS**  trans-94.8106.9-177.9-71.6-6.1000108.3
3S36.4Very low30.1Very low129 Ų129138.7 Ų138.790%0.90281%0.808SS**  trans-79.4125.5172.3-161.40000109
4L29.5Very low30Very low151 Ų151137 Ų13779%0.79180%0.8SS**  trans-91.6140.9178.4-82.4157.3000110.1
5L29.7Very low30Very low159 Ų159131.8 Ų131.883%0.83279%0.787SS**  trans78.6159.2161.4-58.6169.9000118.1
6P36.8Very low30Very low108 Ų108132.6 Ų132.670%0.70179%0.787SS**  cis-124.3175.7-0.822.82.1000112.4
7V26.3Very low29.7Very low115 Ų115135.9 Ų135.970%0.69779%0.792SS**  173.2137.788.2161.50000110.5
8T27.3Very low29.6Very low124 Ų124135.7 Ų135.776%0.76179%0.786SS**  trans58.699157.962.80000121.4
9S29Very low29.4Very low119 Ų119133.3 Ų133.383%0.83278%0.775SS**  trans-95.299.3144.3174.20000108.4G11S9-G11 PolarHBondContact O-N 2.94Å; S9-G11 PolarHBondContact OG-N 3.01Å
10S29.7Very low29.4Very low119 Ų119133.4 Ų133.483%0.83277%0.773SS**  trans-82.871153.847.50000107.3E12S10-E12 PolarHBondContact O-N 3.46Å
11G27.7Very low29.2Very low48 Ų48132.4 Ų132.450%0.49577%0.769SS.*  trans-89.291.117100000108.7S9 I13S9-G11 PolarHBondContact O-N 2.94Å; S9-G11 PolarHBondContact OG-N 3.01Å; G11-I13 PolarHBondContact O-N 3.45Å
12E23.7Very low29Very low178 Ų178125.5 Ų125.583%0.83274%0.74SS**  trans-61.594.3157.9-171.9173.5-17100106.2S10 T14S10-E12 PolarHBondContact O-N 3.46Å; E12-T14 PolarHBondContact O-N 2.86Å
13I26.8Very low28.5Very low153 Ų153123 Ų12379%0.78573%0.732SS**  trans-69.995169.5-59.9179.2000104.5G11 G15G11-I13 PolarHBondContact O-N 3.45Å; I13-G15 PolarHBondContact O-N 3.27Å
14T29.1Very low28.2Very low115 Ų115124.7 Ų124.771%0.70673%0.731SS**  trans-53.2101157.843.50000105.2E12 N16E12-T14 PolarHBondContact O-N 2.86Å; T14-N16 PolarHBondContact O-N 3.19Å
15G29.5Very low28.1Very low59 Ų59120.7 Ų120.761%0.60871%0.713SS**  trans-48.7123.7177.700000106.6I13 E17I13-G15 PolarHBondContact O-N 3.27Å; G15-E17 PolarHBondContact O-N 2.85Å
16N29.5Very low27.9Very low145 Ų145124.1 Ų124.178%0.77572%0.717SS**  trans-30.8114.7179.8-68.5-36.6000108.4T14 I18T14-N16 PolarHBondContact O-N 3.19Å; N16-I18 PolarHBondContact O-N 2.84Å
17E25.3Very low27.8Very low188 Ų188121 Ų12188%0.87970%0.703SS**  trans-53.496.8166.8-70.8179.4160.900104.9G15 P19G15-E17 PolarHBondContact O-N 2.85Å; E17-P19 VanDerWaalsContact O-CD 3.27Å; E17-P19 WeakPolarHBondContact O-CD 3.29Å; E17-P19 VanDerWaalsContact O-N 3.08Å
18I28.9Very low27.9Very low133 Ų133124.6 Ų124.668%0.68271%0.71SS**  trans-61.8115.4168.7-60.5175.2000101.7N16 D20N16-I18 PolarHBondContact O-N 2.84Å; I18-D20 PolarHBondContact O-N 2.95Å; I18-D20 VanDerWaalsContact O-N 3.09Å
19P24.8Very low28.3Very low89 Ų89121.8 Ų121.858%0.57869%0.69SS**  trans-51.5126-17215.8-28.3000108.6E17 T21E17-P19 VanDerWaalsContact O-CD 3.27Å; E17-P19 WeakPolarHBondContact O-CD 3.29Å; E17-P19 VanDerWaalsContact O-N 3.08Å; P19-T21 CarbonylContact O-C 3.59Å; P19-T21 PolarHBondContact O-N 2.98Å
20D30.5Very low28.7Very low136 Ų136118.8 Ų118.873%0.72767%0.666SS**SBendtrans-57.3-7.4-179.7-80.2-37.6000112.3I18I18-D20 PolarHBondContact O-N 2.95Å; I18-D20 VanDerWaalsContact O-N 3.09Å
21T23.8Very low29.2Very low112 Ų112116.3 Ų116.369%0.68765%0.646SS**  trans-123.294.9174.734.10000110.7P19 P23P19-T21 CarbonylContact O-C 3.59Å; P19-T21 PolarHBondContact O-N 2.98Å; T21-P23 WeakPolarHBondContact O-CD 3.27Å
22V30.7Very low29.9Very low93 Ų93117 Ų11756%0.56464%0.637SS**  trans-70.1121.9150-179.50000106D24 V25V22-D24 PolarHBondContact O-N 3.19Å; V22-V25 HydrophobicContact CB-CG2 3.82Å; V22-V25 HydrophobicContact CG1-CG2 4.04Å; V22-V25 PolarHBondContact O-N 3.39Å
23P24.5Very low30.7Very low110 Ų110110.9 Ų110.971%0.71462%0.617SS**THydrogen-bonded Turntrans-53.6139.8177.6-2231.8000110.5T21T21-P23 WeakPolarHBondContact O-CD 3.27Å
24D28.5Very low31.2Very low164 Ų164104.7 Ų104.788%0.87759%0.587SS**THydrogen-bonded Turntrans76.611.3-178-59.6-32.1000118.6V22 Y26V22-D24 PolarHBondContact O-N 3.19Å; D24-Y26 PolarHBondContact O-N 2.68Å
25V27.4Very low31.4Very low68 Ų68103.5 Ų103.541%0.41258%0.579SS.*  trans-92.885.6176.1-173.70000112.6V22 L108V22-V25 HydrophobicContact CB-CG2 3.82Å; V22-V25 HydrophobicContact CG1-CG2 4.04Å; V22-V25 PolarHBondContact O-N 3.39Å; V25-L108 HydrophobicContact CB-CD1 4.42Å; V25-L108 HydrophobicContact CG1-CD1 3.91Å; V25-L108 HydrophobicContact CG2-CD1 3.74Å
26Y27.1Very low31.5Very low231 Ų231106.7 Ų106.791%0.90659%0.592SS**  trans-108.877153-75.3-82.9000108.5D24 K28D24-Y26 PolarHBondContact O-N 2.68Å; Y26-K28 VanDerWaalsContact C-N 3.34Å; Y26-K28 PolarHBondContact O-N 3.17Å
27G34.3Very low31.3Very low41 Ų41103.9 Ų103.942%0.42360%0.598SS.*  trans-74.779.7179.300000112.2L29G27-L29 PolarHBondContact O-N 3.07Å
28K28.8Very low31.2Very low192 Ų19297.5 Ų97.584%0.83558%0.582SS**PPolyproline II helixtrans-69.1119.5165.8-168.3175.8179.6-178.30108.2Y26Y26-K28 VanDerWaalsContact C-N 3.34Å; Y26-K28 PolarHBondContact O-N 3.17Å
29L33.9Very low31.2Very low64 Ų6496.8 Ų96.834%0.33559%0.589SS.*PPolyproline II helixtrans-58.8133-179.8-69.6145.9000111G27 A53 P189 R191G27-L29 PolarHBondContact O-N 3.07Å; L29-A53 HydrophobicContact CD2-CB 4.42Å; L29-P189 HydrophobicContact CD2-CB 4.12Å; L29-P189 HydrophobicContact CD2-CG 4.33Å; L29-R191 VanDerWaalsContact CD1-NH1 3.34Å
30V37.8Very low31.5Very low57 Ų5797 Ų9735%0.34560%0.598SS.*BIsolated β-bridgetrans-102.9127.8176.1-169.60000108.9Q32V30-Q32 VanDerWaalsContact CG1-O 3.29Å; V30-Q32 WeakPolarHBondContact CG1-O 3.3Å
31T40Very low31.4Very low67 Ų6796.4 Ų96.441%0.41160%0.595SS.*SBendtrans-900.8-177.847.10000114.3L50T31-L50 HydrophobicContact CG2-CD1 3.36Å
32Q42.8Very low31.5Very low63 Ų6394.2 Ų94.229%0.29460%0.595SS.*SBendtrans-147178.4-176.8-92.6176.7-18.800111V30 C34V30-Q32 VanDerWaalsContact CG1-O 3.29Å; V30-Q32 WeakPolarHBondContact CG1-O 3.3Å; Q32-C34 PolarHBondContact O-N 3.43Å
33A41.7Very low31.4Very low49 Ų4998.6 Ų98.641%0.40560%0.602SS.*SBendtrans-29.9133-177.100000112.5T35A33-T35 PolarHBondContact O-N 3.48Å; A33-T35 PolarHBondContact O-OG1 2.72Å
34C35.9Very low31.5Very low23 Ų23102.2 Ų102.216%0.15561%0.609CS.*  trans-69.463.2-178.9-780000112.5Q32 C184 H186 V190Q32-C34 PolarHBondContact O-N 3.43Å; C34-C184 HydrophobicContact CB-CB 3.88Å; C34-C184 WeakPolarHBondContact CB-SG 3.22Å; C34-C184 WeakPolarHBondContact SG-CB 3.36Å; C34-C184 CovalentContact SG-SG 2.01Å; C34-C184 PolarHBondContact SG-SG 2.89Å; C34-H186 VanDerWaalsContact CB-ND1 3.29Å; C34-H186 WeakPolarHBondContact CB-ND1 3.48Å; C34-H186 PolarHBondContact O-CE1 2.66Å; C34-H186 PolarHBondContact O-ND1 2.94Å; C34-H186 VanDerWaalsContact O-ND1 3.07Å; C34-V190 WeakPolarHBondContact SG-CG1 3.3Å
35T33.5Very low31.8Very low90 Ų90101.4 Ų101.455%0.55260%0.6SS**  trans-87.1117.2161.952.10000106.7A33 G37A33-T35 PolarHBondContact O-N 3.48Å; A33-T35 PolarHBondContact O-OG1 2.72Å; T35-G37 PolarHBondContact O-N 3.31Å
36S31.8Very low32.1Very low125 Ų125107.7 Ų107.787%0.87463%0.625SS**SBendtrans-45.5106.8164.249.90000109.6
37G25.5Very low32.8Very low87 Ų8798.4 Ų98.490%0.89759%0.593SS**SBendtrans61.579.2172.800000115.1T35T35-G37 PolarHBondContact O-N 3.31Å
38G23.5Very low33.7Very low54 Ų5499.8 Ų99.856%0.55760%0.596SS**  trans-139.9130.2168.700000110.4
39S27.9Very low36Very low118 Ų11899.2 Ų99.283%0.82560%0.597SS**  trans-51.9144.5-171.5-63.90000114.7D41S39-D41 PolarHBondContact O-N 3.3Å
40A30.8Very low38.4Very low92 Ų9299.1 Ų99.176%0.7660%0.596SS**  trans-54.9113173.900000111.7G42A40-G42 PolarHBondContact O-N 3.43Å
41D29.4Very low40.8Very low124 Ų12496.6 Ų96.666%0.66358%0.581SS**  trans-73.3123.1161.9-84.7-28.2000109.1S39 Y43S39-D41 PolarHBondContact O-N 3.3Å; D41-Y43 PolarHBondContact O-N 2.92Å
42G25.6Very low42.9Very low66 Ų6693.8 Ų93.868%0.6857%0.566SS**  trans-67.795.7-168.800000113.5A40A40-G42 PolarHBondContact O-N 3.43Å
43Y28.7Very low45.1Very low186 Ų18691.1 Ų91.173%0.72955%0.554SS**  trans-97.399.9148-79.3-83.5000108.4D41 H45D41-Y43 PolarHBondContact O-N 2.92Å; Y43-H45 PolarHBondContact O-N 3.08Å
44H27.4Very low47.1Very low185 Ų18588.8 Ų88.886%0.85654%0.535SS*.  trans-69.373.3170-76.6-83.1000110.2
45H33.1Very low49.6Very low147 Ų14787.8 Ų87.868%0.68153%0.529SS*.  trans-89.8114162.9-86.4-66.7000109.2Y43 S47Y43-H45 PolarHBondContact O-N 3.08Å; H45-S47 PolarHBondContact O-N 2.86Å
46H33.7Very low52.5Low201 Ų20183.5 Ų83.593%0.93150%0.502SS*.  trans-66.854.4167.7-84.7-74.4000111.9
47S42.1Very low55.4Low35 Ų3577.7 Ų77.725%0.24546%0.461CS..  trans-105.4126.8171.6177.70000108.9H45 Q49 E236H45-S47 PolarHBondContact O-N 2.86Å; S47-Q49 PolarHBondContact O-N 2.9Å; S47-E236 VanDerWaalsContact OG-CD 3.27Å; S47-E236 PolarHBondContact OG-OE1 3.03Å; S47-E236 PolarHBondContact OG-OE2 2.8Å
48S53.2Low58.7Low70 Ų7073.6 Ų73.649%0.4942%0.419SS..SBendtrans-29.7122.8155.25.70000110.7L50 E236S48-L50 PolarHBondContact O-N 3.18Å; S48-E236 PolarHBondContact OG-OE1 2.86Å
49Q77.8Confident62Low181 Ų18171.9 Ų71.985%0.84640%0.396SS*.SBendtrans5.7108.6170.6-166.6169.1-2.100115.2S47 W241S47-Q49 PolarHBondContact O-N 2.9Å; Q49-W241 PolarHBondContact O-NE1 3.41Å
50L84.7Confident65Low61 Ų6169.8 Ų69.832%0.31937%0.372SS..  trans-42.7151.9172.3-63.4168.2000111.3T31 S48 Y179T31-L50 HydrophobicContact CG2-CD1 3.36Å; S48-L50 PolarHBondContact O-N 3.18Å; L50-Y179 HydrophobicContact CD2-CE1 4.46Å; L50-Y179 HydrophobicContact CD2-CE2 4.15Å
51P86.8Confident67.6Low4 Ų467.5 Ų67.53%0.02635%0.348CS..  trans-58.1-171.2-169.93.8-6.3000115.3F163 R191 L234 W241P51-F163 HydrophobicContact CB-CE1 3.8Å; P51-F163 HydrophobicContact CB-CZ 4.17Å; P51-R191 VanDerWaalsContact C-CZ 3.46Å; P51-R191 VanDerWaalsContact N-NH2 3.16Å; P51-R191 PolarHBondContact O-NH1 2.93Å; P51-R191 PolarHBondContact O-NH2 2.99Å; P51-L234 HydrophobicContact CB-CD1 3.61Å; P51-L234 HydrophobicContact CG-CB 4.25Å; P51-L234 HydrophobicContact CG-CD1 3.91Å; P51-W241 VanDerWaalsContact CA-CD1 3.49Å; P51-W241 HydrophobicContact CB-CB 3.94Å; P51-W241 HydrophobicContact CB-CD2 3.74Å; P51-W241 HydrophobicContact CB-CE3 4.27Å; P51-W241 HydrophobicContact CB-CG 3.53Å; P51-W241 HydrophobicContact CG-CD2 3.49Å; P51-W241 VanDerWaalsContact CG-CD2 3.49Å; P51-W241 HydrophobicContact CG-CE3 3.64Å; P51-W241 HydrophobicContact CG-CG 3.88Å; P51-W241 HydrophobicContact CG-CH2 4.36Å; P51-W241 HydrophobicContact CG-CZ2 4.26Å; P51-W241 HydrophobicContact CG-CZ3 4.06Å
52G85.5Confident70.1Confident9 Ų964.9 Ų64.99%0.09334%0.337CS..  trans-85.5-179.4164.900000114.8E161 S181 R191G52-E161 WeakPolarHBondContact CA-OE2 3.46Å; G52-E161 PolarHBondContact N-OE2 3.13Å; G52-S181 PolarHBondContact O-OG 2.83Å; G52-R191 PolarHBondContact O-NH2 2.93Å
53A87.8Confident72.8Confident6 Ų665.3 Ų65.35%0.0534%0.341CS..  trans-78.9141.3160.300000109.4L29 G55 A107 E161 P189L29-A53 HydrophobicContact CD2-CB 4.42Å; A53-G55 VanDerWaalsContact C-N 3.31Å; A53-A107 HydrophobicContact CB-CB 4.47Å; A53-E161 PolarHBondContact O-N 2.9Å; A53-P189 HydrophobicContact CB-CB 3.65Å; A53-P189 HydrophobicContact CB-CG 4.48Å
54S85.1Confident75.2Confident1 Ų162 Ų621%0.00735%0.345CS..  trans-66.8-36.4172.162.50000112V56 T71 G72 V160 S181S54-V56 PolarHBondContact O-N 2.97Å; S54-V56 VanDerWaalsContact O-N 3.13Å; S54-T71 WeakPolarHBondContact OG-CG2 3.05Å; S54-G72 WeakPolarHBondContact CB-O 3.34Å; S54-V160 WeakPolarHBondContact O-CG1 3.44Å; S54-S181 PolarHBondContact N-OG 2.86Å
55G87.5Confident77.7Confident2 Ų256.3 Ų56.32%0.02133%0.326CS..  trans57.425.7174.300000115A53 V105 G106A53-G55 VanDerWaalsContact C-N 3.31Å; G55-V105 CarbonylContact O-C 3.41Å; G55-V105 VanDerWaalsContact O-CA 3.28Å; G55-V105 WeakPolarHBondContact O-CA 3.37Å; G55-G106 CarbonylContact C-O 3.56Å; G55-G106 WeakPolarHBondContact CA-O 3.45Å; G55-G106 PolarHBondContact O-N 2.69Å; G55-G106 VanDerWaalsContact O-O 3.13Å
56V94.4Very high80.1Confident0 Ų051.9 Ų51.90%031%0.307CS..EExtended strand (participates in β ladder)trans-121.6124.6177.6178.50000109.9S54 T71 G72 L74 V86 V103 Y104 V105S54-V56 PolarHBondContact O-N 2.97Å; S54-V56 VanDerWaalsContact O-N 3.13Å; V56-T71 WeakPolarHBondContact O-CA 3.31Å; V56-T71 WeakPolarHBondContact O-CG2 2.85Å; V56-G72 PolarHBondContact O-N 3.25Å; V56-L74 HydrophobicContact CG2-CG 3.86Å; V56-V86 HydrophobicContact CG1-CG1 3.69Å; V56-V86 HydrophobicContact CG1-CG2 4.07Å; V56-V103 HydrophobicContact CG1-CG1 3.73Å; V56-Y104 WeakPolarHBondContact CA-O 3.41Å; V56-V105 HydrophobicContact CG2-CG1 4.45Å; V56-V105 HydrophobicContact CG2-CG2 4.33Å
57H94Very high82.6Confident3 Ų347.2 Ų47.21%0.01429%0.286CS..EExtended strand (participates in β ladder)trans-127.7131.3-178.9-62-77.9000110.6F59 V103 Y104 L109 V183H57-F59 HydrophobicContact CB-CD2 4.42Å; H57-F59 HydrophobicContact CB-CE2 3.76Å; H57-F59 HydrophobicContact CB-CZ 4.48Å; H57-V103 WeakPolarHBondContact O-CA 3.4Å; H57-Y104 PolarHBondContact N-O 3.04Å; H57-Y104 PolarHBondContact O-N 2.89Å; H57-L109 HydrophobicContact CB-CD1 3.81Å; H57-V183 WeakPolarHBondContact CE1-CG1 3.26Å; H57-V183 VanDerWaalsContact CE1-CG2 3.43Å; H57-V183 WeakPolarHBondContact CE1-CG2 2.81Å; H57-V183 WeakPolarHBondContact NE2-CG1 3.38Å
58I94.4Very high84.8Confident1 Ų146.9 Ų46.91%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-105.4130.9-175.8-59.1164000108.4L69 C70 V86 T88 Y101 V103 L148I58-L69 PolarHBondContact O-N 3.12Å; I58-C70 HydrophobicContact CB-CB 4.37Å; I58-C70 HydrophobicContact CD1-CB 4.43Å; I58-C70 PolarHBondContact N-O 2.86Å; I58-C70 PolarHBondContact O-N 2.01Å; I58-V86 HydrophobicContact CD1-CG1 4.4Å; I58-T88 HydrophobicContact CD1-CG2 3.61Å; I58-T88 WeakPolarHBondContact CD1-OG1 3.17Å; I58-Y101 HydrophobicContact CG2-CD1 4.42Å; I58-V103 HydrophobicContact CG1-CG2 4.41Å; I58-L148 HydrophobicContact CD1-CD1 3.86Å; I58-L148 HydrophobicContact CG1-CD1 4.09Å; I58-L148 HydrophobicContact CG2-CD1 4.31Å
59F92.1Very high86.6Confident18 Ų1845.3 Ų45.38%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-122.9148.1-176.3-72.1-90.7000110.9H57 I66 E67 A68 Y101 R102 L109 L122H57-F59 HydrophobicContact CB-CD2 4.42Å; H57-F59 HydrophobicContact CB-CE2 3.76Å; H57-F59 HydrophobicContact CB-CZ 4.48Å; F59-I66 HydrophobicContact CB-CG2 3.63Å; F59-I66 HydrophobicContact CD1-CG2 3.43Å; F59-I66 VanDerWaalsContact CD1-CG2 3.43Å; F59-I66 HydrophobicContact CE1-CG2 4.31Å; F59-I66 HydrophobicContact CG-CG2 3.82Å; F59-E67 CarbonylContact C-O 3.4Å; F59-E67 WeakPolarHBondContact CA-O 3.46Å; F59-E67 WeakPolarHBondContact CD1-O 3.22Å; F59-A68 VanDerWaalsContact CD1-CA 3.49Å; F59-A68 HydrophobicContact CD1-CB 3.97Å; F59-A68 HydrophobicContact CE1-CB 3.64Å; F59-A68 HydrophobicContact CZ-CB 4.37Å; F59-Y101 VanDerWaalsContact O-CA 3.3Å; F59-Y101 WeakPolarHBondContact O-CA 3.13Å; F59-R102 HydrophobicContact CB-CB 4.32Å; F59-R102 PolarHBondContact N-O 3.45Å; F59-R102 PolarHBondContact O-N 3.47Å; F59-L109 HydrophobicContact CE2-CD1 4.03Å; F59-L109 HydrophobicContact CZ-CD1 3.65Å; F59-L122 HydrophobicContact CD2-CD2 3.83Å; F59-L122 HydrophobicContact CE2-CD2 4.19Å; F59-L122 HydrophobicContact CG-CD2 4.47Å
60K89.9Confident87.3Confident73 Ų7337 Ų3732%0.31723%0.233SC..EExtended strand (participates in β ladder)trans-107.6133171.8-172.3178.4177.9-172.70110.7V62 I66 E67 L69 K100K60-V62 HydrophobicContact CD-CG2 4.22Å; K60-V62 HydrophobicContact CG-CG2 4.11Å; K60-I66 WeakPolarHBondContact O-CA 3.1Å; K60-E67 PolarHBondContact N-O 2.98Å; K60-E67 PolarHBondContact O-N 2.78Å; K60-L69 HydrophobicContact CB-CD1 3.58Å; K60-L69 HydrophobicContact CB-CD2 4Å; K60-L69 HydrophobicContact CB-CG 3.79Å; K60-L69 HydrophobicContact CD-CD1 4.31Å; K60-L69 HydrophobicContact CD-CD2 4.43Å; K60-L69 HydrophobicContact CG-CD1 4.44Å; K60-K100 CarbonylContact C-O 3.54Å; K60-K100 WeakPolarHBondContact CA-O 3.32Å
61V86.9Confident87.8Confident44 Ų4434 Ų3427%0.26722%0.217SC..EExtended strand (participates in β ladder)trans-87.4121.4173-173.30000108.4I66 K100 R102V61-I66 HydrophobicContact CG2-CG1 4.41Å; V61-K100 PolarHBondContact N-O 3.24Å; V61-R102 HydrophobicContact CG2-CG 3.69Å
62V82.5Confident88.2Confident70 Ų7033.9 Ų33.942%0.42422%0.216SC..EExtended strand (participates in β ladder)trans-124.299.2176.1-175.90000108.3K60 S64 S65K60-V62 HydrophobicContact CD-CG2 4.22Å; K60-V62 HydrophobicContact CG-CG2 4.11Å; V62-S64 PolarHBondContact O-N 3.02Å; V62-S65 PolarHBondContact N-O 3.01Å; V62-S65 PolarHBondContact O-N 2.89Å; V62-S65 PolarHBondContact O-OG 2.99Å
63G81.8Confident88.7Confident74 Ų7433.5 Ų33.576%0.76321%0.212SC*.THydrogen-bonded Turntrans59.7-119.6-172.900000110.8
64S78.5Confident89.1Confident117 Ų11733.2 Ų33.282%0.81821%0.21SC*.THydrogen-bonded Turntrans-94.56.5176.1-52.10000113.9V62V62-S64 PolarHBondContact O-N 3.02Å
65S80.6Confident89.5Confident66 Ų6635 Ų3546%0.46222%0.217SC..EExtended strand (participates in β ladder)trans-110.8157.3-178.770.90000111.9V62V62-S65 PolarHBondContact N-O 3.01Å; V62-S65 PolarHBondContact O-N 2.89Å; V62-S65 PolarHBondContact O-OG 2.99Å
66I82.4Confident89.7Confident53 Ų5336 Ų3627%0.27222%0.222SC..EExtended strand (participates in β ladder)trans-125.9129.3178.4-68.3163000108.8F59 K60 V61 L118 L122F59-I66 HydrophobicContact CB-CG2 3.63Å; F59-I66 HydrophobicContact CD1-CG2 3.43Å; F59-I66 VanDerWaalsContact CD1-CG2 3.43Å; F59-I66 HydrophobicContact CE1-CG2 4.31Å; F59-I66 HydrophobicContact CG-CG2 3.82Å; K60-I66 WeakPolarHBondContact O-CA 3.1Å; V61-I66 HydrophobicContact CG2-CG1 4.41Å; I66-L118 HydrophobicContact CD1-CB 3.89Å; I66-L118 HydrophobicContact CD1-CD1 4.29Å; I66-L118 HydrophobicContact CD1-CD2 4.4Å; I66-L118 HydrophobicContact CD1-CG 4.4Å; I66-L122 HydrophobicContact CD1-CD1 3.68Å; I66-L122 HydrophobicContact CG2-CD1 4.42Å
67E86.5Confident89.5Confident103 Ų10341.3 Ų41.348%0.48125%0.245SC..EExtended strand (participates in β ladder)trans-112.6130.6180-177.9-175.6-174.100110F59 K60 L69F59-E67 CarbonylContact C-O 3.4Å; F59-E67 WeakPolarHBondContact CA-O 3.46Å; F59-E67 WeakPolarHBondContact CD1-O 3.22Å; K60-E67 PolarHBondContact N-O 2.98Å; K60-E67 PolarHBondContact O-N 2.78Å; E67-L69 HydrophobicContact CG-CD2 4.19Å
68A87.8Confident89.1Confident28 Ų2848.8 Ų48.823%0.23127%0.273CS..EExtended strand (participates in β ladder)trans-72.1127.217100000109.5F59 H227F59-A68 VanDerWaalsContact CD1-CA 3.49Å; F59-A68 HydrophobicContact CD1-CB 3.97Å; F59-A68 HydrophobicContact CE1-CB 3.64Å; F59-A68 HydrophobicContact CZ-CB 4.37Å; A68-H227 PolarHBondContact O-CD2 2.84Å
69L90.9Very high88.8Confident37 Ų3752.7 Ų52.719%0.19431%0.314CS..EExtended strand (participates in β ladder)trans-107-55.2-178.2-64.1-174.1000112.3I58 K60 E67 Y101I58-L69 PolarHBondContact O-N 3.12Å; K60-L69 HydrophobicContact CB-CD1 3.58Å; K60-L69 HydrophobicContact CB-CD2 4Å; K60-L69 HydrophobicContact CB-CG 3.79Å; K60-L69 HydrophobicContact CD-CD1 4.31Å; K60-L69 HydrophobicContact CD-CD2 4.43Å; K60-L69 HydrophobicContact CG-CD1 4.44Å; E67-L69 HydrophobicContact CG-CD2 4.19Å; L69-Y101 HydrophobicContact CD1-CD1 4.17Å; L69-Y101 HydrophobicContact CD1-CE1 3.92Å
70C93.7Very high88.7Confident6 Ų656.5 Ų56.54%0.04133%0.332CS..EExtended strand (participates in β ladder)trans-153.7172-161.9-460000112I58 C92 I229I58-C70 HydrophobicContact CB-CB 4.37Å; I58-C70 HydrophobicContact CD1-CB 4.43Å; I58-C70 PolarHBondContact N-O 2.86Å; I58-C70 PolarHBondContact O-N 2.01Å; C70-C92 HydrophobicContact CB-CB 3.87Å; C70-C92 WeakPolarHBondContact CB-SG 3.22Å; C70-C92 WeakPolarHBondContact SG-CA 3Å; C70-C92 WeakPolarHBondContact SG-CB 3.4Å; C70-C92 CovalentContact SG-SG 2.01Å; C70-C92 PolarHBondContact SG-SG 2.98Å; C70-I229 VanDerWaalsContact CB-O 3.26Å; C70-I229 WeakPolarHBondContact CB-O 3.15Å
71T95.3Very high88.7Confident0 Ų057 Ų570%034%0.341CS..EExtended strand (participates in β ladder)trans-98.6162.1164.1-66.60000110.6S54 V56 T88 H227 I229 G230 S231S54-T71 WeakPolarHBondContact OG-CG2 3.05Å; V56-T71 WeakPolarHBondContact O-CA 3.31Å; V56-T71 WeakPolarHBondContact O-CG2 2.85Å; T71-T88 PolarHBondContact O-OG1 2.64Å; T71-H227 PolarHBondContact N-O 2.87Å; T71-H227 VanDerWaalsContact N-O 3.17Å; T71-H227 PolarHBondContact OG1-O 2.92Å; T71-I229 PolarHBondContact N-O 3.39Å; T71-G230 CarbonylContact O-C 3.58Å; T71-G230 VanDerWaalsContact O-CA 3.22Å; T71-G230 WeakPolarHBondContact O-CA 3.36Å; T71-S231 WeakPolarHBondContact CB-OG 3.29Å; T71-S231 WeakPolarHBondContact CG2-OG 3.31Å
72G95.8Very high88.9Confident0 Ų059.7 Ų59.70%035%0.347CS..EExtended strand (participates in β ladder)trans-144-167.7166.100000111.1S54 V56 V87S54-G72 WeakPolarHBondContact CB-O 3.34Å; V56-G72 PolarHBondContact O-N 3.25Å; G72-V87 CarbonylContact C-O 3.54Å; G72-V87 WeakPolarHBondContact CA-O 3.42Å
73T95.6Very high89.5Confident1 Ų156.5 Ų56.51%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-134.5146.6166.850.70000111.2Y75 V86 V87 P232 Q243T73-Y75 PolarHBondContact O-N 2.79Å; T73-V86 CarbonylContact O-C 3.44Å; T73-V86 VanDerWaalsContact O-CA 3.28Å; T73-V86 WeakPolarHBondContact O-CA 3.32Å; T73-V87 PolarHBondContact N-O 3.44Å; T73-V87 PolarHBondContact O-N 3.1Å; T73-P232 HydrophobicContact CG2-CB 3.48Å; T73-P232 VanDerWaalsContact CG2-CB 3.48Å; T73-P232 HydrophobicContact CG2-CG 3.36Å; T73-Q243 PolarHBondContact OG1-NE2 3.21Å; T73-Q243 VanDerWaalsContact OG1-NE2 3.14Å; T73-Q243 PolarHBondContact OG1-OE1 2.81Å
74L94.7Very high90.2Very high1 Ų154.1 Ų54.11%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-70.1120165.2-76.7175.7000108.8V56 V76 V86 V105 V154 V160 S162V56-L74 HydrophobicContact CG2-CG 3.86Å; L74-V76 HydrophobicContact CB-CG2 4.31Å; L74-V86 HydrophobicContact CD2-CG2 3.91Å; L74-V105 HydrophobicContact CD1-CG1 3.92Å; L74-V154 HydrophobicContact CD1-CB 4.43Å; L74-V154 HydrophobicContact CD1-CG1 4.37Å; L74-V160 HydrophobicContact CD1-CG1 4.25Å; L74-S162 WeakPolarHBondContact O-CB 3.42Å; L74-S162 PolarHBondContact O-OG 3.42Å
75Y94.8Very high91Very high39 Ų3948.8 Ų48.815%0.15326%0.26CS..  trans-86112.4169.8173.1-107.3000109.2T73 K77 S83 E85 V87 L165 V281T73-Y75 PolarHBondContact O-N 2.79Å; Y75-K77 HydrophobicContact CE1-CG 3.97Å; Y75-S83 VanDerWaalsContact O-CB 3.29Å; Y75-S83 WeakPolarHBondContact O-CB 3.38Å; Y75-S83 PolarHBondContact O-OG 2.56Å; Y75-E85 HydrophobicContact CD1-CB 4.2Å; Y75-E85 WeakPolarHBondContact CD1-OE2 3.35Å; Y75-E85 PolarHBondContact N-O 3.31Å; Y75-V87 HydrophobicContact CG-CG2 4.44Å; Y75-L165 HydrophobicContact CD2-CD1 3.94Å; Y75-L165 HydrophobicContact CD2-CG 4.15Å; Y75-L165 HydrophobicContact CE2-CD1 3.7Å; Y75-L165 HydrophobicContact CE2-CG 4.01Å; Y75-V281 HydrophobicContact CD1-CB 4.16Å; Y75-V281 HydrophobicContact CD1-CG1 3.67Å; Y75-V281 HydrophobicContact CD1-CG2 4.06Å; Y75-V281 HydrophobicContact CD2-CG2 3.94Å; Y75-V281 HydrophobicContact CE1-CB 3.92Å; Y75-V281 HydrophobicContact CE1-CG1 3.67Å; Y75-V281 HydrophobicContact CE1-CG2 4.16Å; Y75-V281 HydrophobicContact CE2-CG2 4.08Å; Y75-V281 HydrophobicContact CG-CG1 4.33Å; Y75-V281 HydrophobicContact CG-CG2 3.92Å
76V92.3Very high91.7Very high23 Ų2345.6 Ų45.614%0.13924%0.238CC..  trans-113.8121.3-179.2-178.20000109.8L74 Q80 S83 I156 S162L74-V76 HydrophobicContact CB-CG2 4.31Å; V76-Q80 HydrophobicContact CG1-CB 3.88Å; V76-Q80 VanDerWaalsContact CG1-O 3.22Å; V76-Q80 WeakPolarHBondContact CG1-O 3.39Å; V76-S83 VanDerWaalsContact CG2-CB 3.43Å; V76-I156 HydrophobicContact CB-CD1 3.79Å; V76-I156 HydrophobicContact CG1-CD1 3.62Å; V76-I156 HydrophobicContact CG2-CD1 3.41Å; V76-I156 VanDerWaalsContact CG2-CD1 3.41Å; V76-I156 HydrophobicContact CG2-CG1 3.67Å; V76-S162 WeakPolarHBondContact CB-OG 3.29Å; V76-S162 WeakPolarHBondContact CG2-OG 3.24Å; V76-S162 PolarHBondContact N-OG 2.95Å
77K89.9Confident92.4Very high110 Ų11043.1 Ų43.148%0.47823%0.225SC..  trans-60.1145.7176.3-66.2179.6-177.2178.70110.1Y75 G79 Q80Y75-K77 HydrophobicContact CE1-CG 3.97Å; K77-G79 PolarHBondContact O-N 3.28Å; K77-Q80 HydrophobicContact CB-CG 3.98Å; K77-Q80 VanDerWaalsContact O-CB 3.31Å; K77-Q80 WeakPolarHBondContact O-CB 3.47Å; K77-Q80 PolarHBondContact O-N 2.79Å
78R85.9Confident92.8Very high160 Ų16038.2 Ų38.260%0.60420%0.202SC*.THydrogen-bonded Turntrans-52.5132.4-179-67-176.1-177.5147.210.6111.1Q80 Y167 D278R78-Q80 PolarHBondContact O-N 3.36Å; R78-Y167 VanDerWaalsContact NH2-CZ 3.25Å; R78-Y167 PolarHBondContact NH2-OH 3.42Å; R78-D278 IonicContact NH2-OD2 2.82Å
79G86.5Confident93.1Very high83 Ų8337 Ų3786%0.85619%0.192SC*.THydrogen-bonded Turntrans77.11.9179.700000115.2K77K77-G79 PolarHBondContact O-N 3.28Å
80Q90.7Very high93.1Very high98 Ų9835.8 Ų35.846%0.45819%0.187SC..  trans-96.4152.9174.7-59.1-63.8-43.400111.1V76 K77 R78V76-Q80 HydrophobicContact CG1-CB 3.88Å; V76-Q80 VanDerWaalsContact CG1-O 3.22Å; V76-Q80 WeakPolarHBondContact CG1-O 3.39Å; K77-Q80 HydrophobicContact CB-CG 3.98Å; K77-Q80 VanDerWaalsContact O-CB 3.31Å; K77-Q80 WeakPolarHBondContact O-CB 3.47Å; K77-Q80 PolarHBondContact O-N 2.79Å; R78-Q80 PolarHBondContact O-N 3.36Å
81T88.9Confident92.9Very high83 Ų8339.3 Ų39.351%0.50920%0.199SC..SBendtrans-114.1-6.9174.352.40000112.7K155 I156T81-K155 WeakPolarHBondContact O-CA 3.39Å; T81-I156 PolarHBondContact O-N 3.37Å
82Y92.8Very high92.6Very high101 Ų10139.6 Ų39.640%0.39620%0.201SC..EExtended strand (participates in β ladder)trans-120143.6176.9-69.5-95.9000110.2R153 V154 K155Y82-R153 HydrophobicContact CD1-CB 4.47Å; Y82-V154 CarbonylContact C-O 3.33Å; Y82-V154 VanDerWaalsContact CA-O 3.26Å; Y82-V154 WeakPolarHBondContact CA-O 3.41Å; Y82-K155 HydrophobicContact CD1-CB 3.81Å; Y82-K155 HydrophobicContact CD1-CG 4.28Å; Y82-K155 HydrophobicContact CE1-CB 3.44Å; Y82-K155 VanDerWaalsContact CE1-CB 3.44Å; Y82-K155 HydrophobicContact CE1-CD 4.23Å; Y82-K155 HydrophobicContact CE1-CG 3.78Å; Y82-K155 HydrophobicContact CE2-CG 4.19Å
83S94.6Very high92.3Very high4 Ų439.9 Ų39.93%0.02820%0.203CC..EExtended strand (participates in β ladder)trans-143146.7171.3-179.80000111.7Y75 V76 E85 R153 V154Y75-S83 VanDerWaalsContact O-CB 3.29Å; Y75-S83 WeakPolarHBondContact O-CB 3.38Å; Y75-S83 PolarHBondContact O-OG 2.56Å; V76-S83 VanDerWaalsContact CG2-CB 3.43Å; S83-E85 PolarHBondContact OG-N 2.93Å; S83-E85 PolarHBondContact OG-O 2.77Å; S83-R153 WeakPolarHBondContact O-CA 3.23Å; S83-V154 PolarHBondContact N-O 2.97Å; S83-V154 PolarHBondContact O-N 2.85Å
84D95.5Very high91.4Very high23 Ų2345 Ų4512%0.12324%0.236CC..EExtended strand (participates in β ladder)trans-116.215.5169.150.13000110.6K149 L150 R153D84-K149 HydrophobicContact CB-CD 4.45Å; D84-K149 CarbonylContact O-C 3.5Å; D84-K149 WeakPolarHBondContact O-CA 3.14Å; D84-K149 WeakPolarHBondContact OD1-CE 3.3Å; D84-K149 IonicContact OD1-NZ 3.6Å; D84-K149 PolarHBondContact OD1-NZ 2.8Å; D84-K149 WeakPolarHBondContact OD2-CE 3.45Å; D84-K149 IonicContact OD2-NZ 2.61Å; D84-K149 PolarHBondContact OD2-NZ 3.36Å; D84-K149 VanDerWaalsContact OD2-NZ 3.07Å; D84-L150 HydrophobicContact CB-CB 4.23Å; D84-L150 PolarHBondContact O-N 3.01Å; D84-R153 HydrophobicContact CB-CG 3.71Å; D84-R153 IonicContact OD2-NE 2.8Å
85E95.9Very high90.5Very high5 Ų546.6 Ų46.62%0.02325%0.247CC..EExtended strand (participates in β ladder)trans-115.9120-174.9-73167.2174.500109.7Y75 S83 V147 L148 K149 Q285Y75-E85 HydrophobicContact CD1-CB 4.2Å; Y75-E85 WeakPolarHBondContact CD1-OE2 3.35Å; Y75-E85 PolarHBondContact N-O 3.31Å; S83-E85 PolarHBondContact OG-N 2.93Å; S83-E85 PolarHBondContact OG-O 2.77Å; E85-V147 HydrophobicContact CB-CG1 4.37Å; E85-V147 HydrophobicContact CG-CG1 4.41Å; E85-L148 WeakPolarHBondContact CA-O 3.23Å; E85-K149 HydrophobicContact CG-CD 3.82Å; E85-K149 IonicContact OE1-NZ 2.99Å; E85-K149 PolarHBondContact OE1-NZ 3.17Å; E85-Q285 PolarHBondContact OE1-NE2 3.15Å
86V96.1Very high89.7Confident0 Ų050 Ų500%027%0.272CS..EExtended strand (participates in β ladder)trans-112.1127.6174.9170.70000109.5V56 I58 T73 L74 V103 V147 L148 L150V56-V86 HydrophobicContact CG1-CG1 3.69Å; V56-V86 HydrophobicContact CG1-CG2 4.07Å; I58-V86 HydrophobicContact CD1-CG1 4.4Å; T73-V86 CarbonylContact O-C 3.44Å; T73-V86 VanDerWaalsContact O-CA 3.28Å; T73-V86 WeakPolarHBondContact O-CA 3.32Å; L74-V86 HydrophobicContact CD2-CG2 3.91Å; V86-V103 HydrophobicContact CG2-CG1 4.21Å; V86-V147 CarbonylContact O-C 3.59Å; V86-V147 VanDerWaalsContact O-CA 3.31Å; V86-V147 WeakPolarHBondContact O-CA 3.38Å; V86-L148 HydrophobicContact CB-CB 4.18Å; V86-L148 HydrophobicContact CG1-CD1 4.37Å; V86-L148 PolarHBondContact N-O 3.05Å; V86-L148 PolarHBondContact O-N 2.87Å; V86-L150 HydrophobicContact CG2-CD1 3.98Å; V86-L150 HydrophobicContact CG2-CD2 4.19Å; V86-L150 HydrophobicContact CG2-CG 4.21Å
87V95.4Very high89.6Confident1 Ų150.1 Ų50.11%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-97.2131.6175.8162.10000109.5G72 T73 Y75 L145 V147 I246 L276 V281G72-V87 CarbonylContact C-O 3.54Å; G72-V87 WeakPolarHBondContact CA-O 3.42Å; T73-V87 PolarHBondContact N-O 3.44Å; T73-V87 PolarHBondContact O-N 3.1Å; Y75-V87 HydrophobicContact CG-CG2 4.44Å; V87-L145 HydrophobicContact CB-CD1 4.33Å; V87-L145 HydrophobicContact CG1-CD1 3.5Å; V87-L145 VanDerWaalsContact CG1-CD1 3.5Å; V87-L145 HydrophobicContact CG2-CD1 4.33Å; V87-V147 HydrophobicContact CG2-CG2 4.43Å; V87-I246 HydrophobicContact CG1-CD1 3.38Å; V87-I246 HydrophobicContact CG1-CG1 4.25Å; V87-L276 HydrophobicContact CG1-CD1 4.25Å; V87-V281 HydrophobicContact CG2-CG2 3.69Å
88T95.7Very high89.7Confident0 Ų045.6 Ų45.60%026%0.259CS..EExtended strand (participates in β ladder)trans-152.7176.5177.1-167.20000111.2I58 T71 C92 V93 T146 G230I58-T88 HydrophobicContact CD1-CG2 3.61Å; I58-T88 WeakPolarHBondContact CD1-OG1 3.17Å; T71-T88 PolarHBondContact O-OG1 2.64Å; T88-C92 HydrophobicContact CG2-CB 4.31Å; T88-V93 HydrophobicContact CG2-CG2 4.25Å; T88-T146 HydrophobicContact CG2-CG2 4.28Å; T88-T146 PolarHBondContact N-O 3.15Å; T88-T146 PolarHBondContact O-N 3.26Å; T88-G230 WeakPolarHBondContact OG1-CA 3.26Å
89A93.5Very high89.9Confident2 Ų243.3 Ų43.32%0.01726%0.259CS..EExtended strand (participates in β ladder)trans-78.6140.6176.700000111.4R91 C92 G144 I229 I246A89-R91 VanDerWaalsContact C-N 3.3Å; A89-R91 HydrophobicContact CB-CG 4.09Å; A89-R91 PolarHBondContact O-N 2.84Å; A89-C92 WeakPolarHBondContact O-CB 3.49Å; A89-C92 PolarHBondContact O-N 3.41Å; A89-G144 CarbonylContact C-O 3.57Å; A89-G144 WeakPolarHBondContact CA-O 3.42Å; A89-I229 HydrophobicContact CB-CG2 3.93Å; A89-I246 HydrophobicContact CB-CG2 4.02Å
90S90.9Very high90.1Very high11 Ų1143.5 Ų43.58%0.07724%0.236CC..G310 helixtrans-63.2-31.7-177.9-64.70000114.8C92 V93 G144 L145 T146S90-C92 PolarHBondContact O-N 3.25Å; S90-V93 CarbonylContact O-C 3.49Å; S90-V93 PolarHBondContact O-N 3.48Å; S90-G144 PolarHBondContact N-O 3.03Å; S90-G144 WeakPolarHBondContact OG-CA 2.88Å; S90-G144 PolarHBondContact OG-O 2.8Å; S90-L145 PolarHBondContact OG-N 3.5Å; S90-L145 VanDerWaalsContact OG-N 3.16Å; S90-L145 PolarHBondContact OG-O 2.89Å; S90-L145 VanDerWaalsContact OG-O 3.05Å; S90-T146 WeakPolarHBondContact CA-OG1 2.98Å; S90-T146 WeakPolarHBondContact CB-OG1 3.31Å; S90-T146 PolarHBondContact OG-OG1 3.21Å
91R89.3Confident90.3Very high81 Ų8138.9 Ų38.931%0.30622%0.215SC..G310 helixtrans-59-19.6171.963.4169.962.8-106.5-0.4113.9A89 V93 A142 I229 D248A89-R91 VanDerWaalsContact C-N 3.3Å; A89-R91 HydrophobicContact CB-CG 4.09Å; A89-R91 PolarHBondContact O-N 2.84Å; R91-V93 VanDerWaalsContact C-N 3.34Å; R91-A142 HydrophobicContact CB-CB 4.19Å; R91-A142 WeakPolarHBondContact CB-O 3.37Å; R91-A142 PolarHBondContact N-O 2.93Å; R91-A142 VanDerWaalsContact N-O 3.08Å; R91-I229 HydrophobicContact CG-CG2 3.65Å; R91-D248 VanDerWaalsContact CD-O 3.23Å; R91-D248 WeakPolarHBondContact CD-O 3.06Å; R91-D248 IonicContact CZ-OD1 3.86Å; R91-D248 IonicContact CZ-OD2 3.43Å; R91-D248 VanDerWaalsContact CZ-OD2 3.28Å; R91-D248 PolarHBondContact NE-O 3.43Å; R91-D248 IonicContact NE-OD1 3.07Å; R91-D248 PolarHBondContact NE-OD1 2.86Å; R91-D248 IonicContact NE-OD2 2.61Å; R91-D248 PolarHBondContact NE-OD2 2.97Å; R91-D248 IonicContact NH2-OD1 2.7Å; R91-D248 IonicContact NH2-OD2 3.1Å; R91-D248 PolarHBondContact NH2-OD2 2.94Å
92C90.3Very high90.5Very high6 Ų637.4 Ų37.44%0.04120%0.199CC..G310 helixtrans-68.1-37.4176.6-175.40000112.2C70 T88 A89 S90 P94 I229C70-C92 HydrophobicContact CB-CB 3.87Å; C70-C92 WeakPolarHBondContact CB-SG 3.22Å; C70-C92 WeakPolarHBondContact SG-CA 3Å; C70-C92 WeakPolarHBondContact SG-CB 3.4Å; C70-C92 CovalentContact SG-SG 2.01Å; C70-C92 PolarHBondContact SG-SG 2.98Å; T88-C92 HydrophobicContact CG2-CB 4.31Å; A89-C92 WeakPolarHBondContact O-CB 3.49Å; A89-C92 PolarHBondContact O-N 3.41Å; S90-C92 PolarHBondContact O-N 3.25Å; C92-P94 VanDerWaalsContact O-CD 3.25Å; C92-P94 WeakPolarHBondContact O-CD 3.28Å; C92-I229 HydrophobicContact CB-CG2 4.43Å
93V88.2Confident90.6Very high5 Ų532.6 Ų32.63%0.0318%0.181CC..  trans-126.168.3-167.7-172.60000108.5T88 S90 R91 S95 Y101 I128 T146 L148T88-V93 HydrophobicContact CG2-CG2 4.25Å; S90-V93 CarbonylContact O-C 3.49Å; S90-V93 PolarHBondContact O-N 3.48Å; R91-V93 VanDerWaalsContact C-N 3.34Å; V93-S95 VanDerWaalsContact C-N 3.26Å; V93-S95 PolarHBondContact O-N 3.41Å; V93-Y101 HydrophobicContact CB-CE1 4.29Å; V93-Y101 HydrophobicContact CG1-CD1 4.29Å; V93-Y101 HydrophobicContact CG1-CD2 4.02Å; V93-Y101 HydrophobicContact CG1-CE1 3.83Å; V93-Y101 HydrophobicContact CG1-CE2 3.53Å; V93-Y101 HydrophobicContact CG1-CG 4.35Å; V93-Y101 HydrophobicContact CG2-CD1 4.48Å; V93-Y101 HydrophobicContact CG2-CE1 4.26Å; V93-I128 HydrophobicContact CG1-CD1 3.58Å; V93-I128 HydrophobicContact CG1-CG1 4.28Å; V93-I128 HydrophobicContact CG1-CG2 3.93Å; V93-T146 HydrophobicContact CB-CG2 4.21Å; V93-T146 HydrophobicContact CG2-CG2 4.45Å; V93-L148 HydrophobicContact CG1-CD2 4.1Å; V93-L148 HydrophobicContact CG2-CD2 4.11Å
94P78.1Confident90.4Very high109 Ų10934 Ų3471%0.70819%0.186SC*.  trans-71.1-21.2-175.229-36.2000113.3C92C92-P94 VanDerWaalsContact O-CD 3.25Å; C92-P94 WeakPolarHBondContact O-CD 3.28Å
95S75.8Confident90.2Very high35 Ų3534.3 Ų34.325%0.24519%0.188CC..SBendtrans-97.9134.9173.9-175.70000110.2V93 A97 Y101V93-S95 VanDerWaalsContact C-N 3.26Å; V93-S95 PolarHBondContact O-N 3.41Å; S95-A97 PolarHBondContact O-N 3.4Å; S95-A97 WeakPolarHBondContact OG-CB 3.4Å; S95-A97 PolarHBondContact OG-N 3.01Å; S95-Y101 WeakPolarHBondContact CB-OH 3.21Å; S95-Y101 PolarHBondContact N-OH 2.91Å; S95-Y101 VanDerWaalsContact N-OH 3.08Å; S95-Y101 WeakPolarHBondContact O-CE2 3.23Å; S95-Y101 PolarHBondContact O-OH 2.54Å
96T77.8Confident89.9Confident109 Ų10934.6 Ų34.667%0.66919%0.192SC*.  trans-77.2-0.817353.20000113.8A98T96-A98 PolarHBondContact O-N 3.33Å
97A89Confident89.1Confident26 Ų2635.6 Ų35.622%0.21520%0.201CC..  trans-75.593.2179.100000110.8S95 D99 K100 Y101S95-A97 PolarHBondContact O-N 3.4Å; S95-A97 WeakPolarHBondContact OG-CB 3.4Å; S95-A97 PolarHBondContact OG-N 3.01Å; A97-D99 WeakPolarHBondContact CB-OD1 3.42Å; A97-D99 PolarHBondContact O-N 3.15Å; A97-K100 HydrophobicContact CB-CD 3.9Å; A97-K100 HydrophobicContact CB-CG 4.01Å; A97-K100 WeakPolarHBondContact O-CB 3.05Å; A97-K100 PolarHBondContact O-N 2.9Å; A97-K100 VanDerWaalsContact O-N 3.1Å; A97-Y101 VanDerWaalsContact O-CD2 3.3Å; A97-Y101 WeakPolarHBondContact O-CD2 3.28Å; A97-Y101 WeakPolarHBondContact O-CE2 3.43Å
98A92.1Very high88.5Confident16 Ų1637.8 Ų37.813%0.13221%0.212CC..G310 helixtrans-56.4-34.5-175.300000113.8T96 K100 Y101 V125 I128T96-A98 PolarHBondContact O-N 3.33Å; A98-K100 PolarHBondContact O-N 2.02Å; A98-K100 VanDerWaalsContact O-N 3.15Å; A98-Y101 PolarHBondContact O-N 3.47Å; A98-V125 HydrophobicContact CB-CB 4.34Å; A98-V125 HydrophobicContact CB-CG1 4Å; A98-I128 HydrophobicContact CB-CD1 4.16Å; A98-I128 HydrophobicContact CB-CG1 4.14Å
99D91.1Very high87.9Confident112 Ų11239 Ų3960%0.59922%0.218SC*.G310 helixtrans-62.2-20.7179.165.7-49.1000113.7A97 Y101 R102A97-D99 WeakPolarHBondContact CB-OD1 3.42Å; A97-D99 PolarHBondContact O-N 3.15Å; D99-Y101 VanDerWaalsContact C-N 3.29Å; D99-Y101 PolarHBondContact O-N 2.9Å; D99-R102 PolarHBondContact O-NH1 2.92Å
100K91.1Very high87Confident86 Ų8641.1 Ų41.137%0.37423%0.232SC..G310 helixtrans-77.6-11.2175.3-62.4-174.9-176.6169.70113.8K60 V61 A97 A98K60-K100 CarbonylContact C-O 3.54Å; K60-K100 WeakPolarHBondContact CA-O 3.32Å; V61-K100 PolarHBondContact N-O 3.24Å; A97-K100 HydrophobicContact CB-CD 3.9Å; A97-K100 HydrophobicContact CB-CG 4.01Å; A97-K100 WeakPolarHBondContact O-CB 3.05Å; A97-K100 PolarHBondContact O-N 2.9Å; A97-K100 VanDerWaalsContact O-N 3.1Å; A98-K100 PolarHBondContact O-N 2.02Å; A98-K100 VanDerWaalsContact O-N 3.15Å
101Y93.5Very high86.1Confident2 Ų247.6 Ų47.61%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-116.2149.1-174-55.2-86.5000112.1I58 F59 L69 V93 S95 A97 A98 D99 I128I58-Y101 HydrophobicContact CG2-CD1 4.42Å; F59-Y101 VanDerWaalsContact O-CA 3.3Å; F59-Y101 WeakPolarHBondContact O-CA 3.13Å; L69-Y101 HydrophobicContact CD1-CD1 4.17Å; L69-Y101 HydrophobicContact CD1-CE1 3.92Å; V93-Y101 HydrophobicContact CB-CE1 4.29Å; V93-Y101 HydrophobicContact CG1-CD1 4.29Å; V93-Y101 HydrophobicContact CG1-CD2 4.02Å; V93-Y101 HydrophobicContact CG1-CE1 3.83Å; V93-Y101 HydrophobicContact CG1-CE2 3.53Å; V93-Y101 HydrophobicContact CG1-CG 4.35Å; V93-Y101 HydrophobicContact CG2-CD1 4.48Å; V93-Y101 HydrophobicContact CG2-CE1 4.26Å; S95-Y101 WeakPolarHBondContact CB-OH 3.21Å; S95-Y101 PolarHBondContact N-OH 2.91Å; S95-Y101 VanDerWaalsContact N-OH 3.08Å; S95-Y101 WeakPolarHBondContact O-CE2 3.23Å; S95-Y101 PolarHBondContact O-OH 2.54Å; A97-Y101 VanDerWaalsContact O-CD2 3.3Å; A97-Y101 WeakPolarHBondContact O-CD2 3.28Å; A97-Y101 WeakPolarHBondContact O-CE2 3.43Å; A98-Y101 PolarHBondContact O-N 3.47Å; D99-Y101 VanDerWaalsContact C-N 3.29Å; D99-Y101 PolarHBondContact O-N 2.9Å; Y101-I128 HydrophobicContact CD2-CD1 3.61Å; Y101-I128 HydrophobicContact CE2-CD1 3.66Å
102R93.1Very high85Confident51 Ų5152 Ų5219%0.19228%0.279CS..EExtended strand (participates in β ladder)trans-137.4145.8176.8-71.9-59.3178.6-75.71.1109F59 V61 D99 L122 I123F59-R102 HydrophobicContact CB-CB 4.32Å; F59-R102 PolarHBondContact N-O 3.45Å; F59-R102 PolarHBondContact O-N 3.47Å; V61-R102 HydrophobicContact CG2-CG 3.69Å; D99-R102 PolarHBondContact O-NH1 2.92Å; R102-L122 HydrophobicContact CB-CB 3.95Å; R102-L122 HydrophobicContact CB-CD1 3.84Å; R102-L122 HydrophobicContact CB-CD2 4.18Å; R102-L122 HydrophobicContact CB-CG 4.21Å; R102-L122 HydrophobicContact CG-CB 4.27Å; R102-L122 HydrophobicContact CG-CD1 4.18Å; R102-I123 WeakPolarHBondContact CA-O 3.21Å
103V94.5Very high83.7Confident0 Ų053.6 Ų53.60%029%0.286CS..EExtended strand (participates in β ladder)trans-119.4127.2-179.6177.70000109.8V56 H57 I58 V86 V105 I123 V125 L148 L150V56-V103 HydrophobicContact CG1-CG1 3.73Å; H57-V103 WeakPolarHBondContact O-CA 3.4Å; I58-V103 HydrophobicContact CG1-CG2 4.41Å; V86-V103 HydrophobicContact CG2-CG1 4.21Å; V103-V105 HydrophobicContact CG1-CG2 3.97Å; V103-I123 PolarHBondContact N-O 3.27Å; V103-I123 PolarHBondContact O-N 3.04Å; V103-V125 HydrophobicContact CG2-CG2 3.97Å; V103-L148 HydrophobicContact CG2-CD1 4.07Å; V103-L150 HydrophobicContact CB-CD2 3.85Å; V103-L150 HydrophobicContact CG1-CD2 4.35Å; V103-L150 HydrophobicContact CG2-CD2 3.66Å
104Y92.3Very high82.6Confident35 Ų3556.6 Ų56.614%0.13730%0.304CS..EExtended strand (participates in β ladder)trans-96133165.9177.8-101000109.1V56 H57 L108 L109 P110 M113V56-Y104 WeakPolarHBondContact CA-O 3.41Å; H57-Y104 PolarHBondContact N-O 3.04Å; H57-Y104 PolarHBondContact O-N 2.89Å; Y104-L108 WeakPolarHBondContact CE1-O 3.22Å; Y104-L108 PolarHBondContact OH-O 3.29Å; Y104-L108 VanDerWaalsContact OH-O 3.09Å; Y104-L109 HydrophobicContact CD1-CD1 4.23Å; Y104-P110 HydrophobicContact CE2-CG 4.19Å; Y104-M113 HydrophobicContact CD2-CE 4.46Å
105V91.3Very high82.1Confident28 Ų2855.6 Ų55.617%0.1730%0.296CS..EExtended strand (participates in β ladder)trans-118.7112.4172.2-174.90000109.2G55 V56 L74 V103 I123 V154 V160G55-V105 CarbonylContact O-C 3.41Å; G55-V105 VanDerWaalsContact O-CA 3.28Å; G55-V105 WeakPolarHBondContact O-CA 3.37Å; V56-V105 HydrophobicContact CG2-CG1 4.45Å; V56-V105 HydrophobicContact CG2-CG2 4.33Å; L74-V105 HydrophobicContact CD1-CG1 3.92Å; V103-V105 HydrophobicContact CG1-CG2 3.97Å; V105-I123 HydrophobicContact CG2-CD1 4.14Å; V105-V154 HydrophobicContact CB-CG1 4.22Å; V105-V154 HydrophobicContact CG1-CG1 3.96Å; V105-V154 HydrophobicContact CG2-CG1 4.45Å; V105-V154 HydrophobicContact CG2-CG2 4.23Å; V105-V160 HydrophobicContact CG1-CB 4.47Å; V105-V160 HydrophobicContact CG1-CG1 3.86Å; V105-V160 HydrophobicContact CG1-CG2 4.16Å
106G88.1Confident81.8Confident11 Ų1160 Ų6011%0.11331%0.313CS..SBendtrans175.9146.8-179.800000111.3G55 L108G55-G106 CarbonylContact C-O 3.56Å; G55-G106 WeakPolarHBondContact CA-O 3.45Å; G55-G106 PolarHBondContact O-N 2.69Å; G55-G106 VanDerWaalsContact O-O 3.13Å; G106-L108 VanDerWaalsContact C-N 3.25Å; G106-L108 PolarHBondContact O-N 2.77Å
107A80.4Confident81.4Confident22 Ų2259.5 Ų59.518%0.18230%0.303CS..SBendtrans-63.5-31-177.200000113.5A53 G159 P189A53-A107 HydrophobicContact CB-CB 4.47Å; A107-G159 WeakPolarHBondContact CB-O 3.46Å; A107-P189 WeakPolarHBondContact O-CD 3.28Å
108L82.9Confident80.5Confident47 Ų4759.5 Ų59.525%0.24630%0.299CS..SBendtrans-105.2128.2-179.5-64.7170.7000108.7V25 Y104 G106 P110 G187 M188V25-L108 HydrophobicContact CB-CD1 4.42Å; V25-L108 HydrophobicContact CG1-CD1 3.91Å; V25-L108 HydrophobicContact CG2-CD1 3.74Å; Y104-L108 WeakPolarHBondContact CE1-O 3.22Å; Y104-L108 PolarHBondContact OH-O 3.29Å; Y104-L108 VanDerWaalsContact OH-O 3.09Å; G106-L108 VanDerWaalsContact C-N 3.25Å; G106-L108 PolarHBondContact O-N 2.77Å; L108-P110 VanDerWaalsContact O-CD 3.24Å; L108-P110 WeakPolarHBondContact O-CD 3.34Å; L108-G187 WeakPolarHBondContact CA-O 3.46Å; L108-M188 HydrophobicContact CD2-CE 3.63Å; L108-M188 HydrophobicContact CD2-SD 3.54Å; L108-M188 VanDerWaalsContact CD2-SD 3.54Å
109L82.1Confident79.5Confident24 Ų2461.3 Ų61.313%0.12632%0.32CS..  trans-83.3113.5170.2-172.961.4000109H57 F59 Y104 R111 V183 G187H57-L109 HydrophobicContact CB-CD1 3.81Å; F59-L109 HydrophobicContact CE2-CD1 4.03Å; F59-L109 HydrophobicContact CZ-CD1 3.65Å; Y104-L109 HydrophobicContact CD1-CD1 4.23Å; L109-R111 PolarHBondContact O-N 2.89Å; L109-V183 HydrophobicContact CB-CG1 4.2Å; L109-V183 HydrophobicContact CB-CG2 4.24Å; L109-V183 HydrophobicContact CD2-CG2 3.94Å; L109-G187 PolarHBondContact N-O 3.14Å; L109-G187 WeakPolarHBondContact O-CA 3.45Å
110P75.8Confident78.9Confident47 Ų4766.7 Ų66.731%0.30533%0.331SS..  trans-68.4130.5-178.2-20.536000110.6Y104 L108 M113Y104-P110 HydrophobicContact CE2-CG 4.19Å; L108-P110 VanDerWaalsContact O-CD 3.24Å; L108-P110 WeakPolarHBondContact O-CD 3.34Å; P110-M113 HydrophobicContact CB-CE 3.75Å; P110-M113 HydrophobicContact CB-CG 3.85Å; P110-M113 HydrophobicContact CB-SD 4.15Å; P110-M113 HydrophobicContact CG-CE 3.6Å; P110-M113 HydrophobicContact CG-CG 4.45Å; P110-M113 HydrophobicContact CG-SD 4.11Å
111R71.2Confident78.5Confident147 Ų14765.2 Ų65.256%0.55533%0.33SS*.SBendtrans-77-35.3179.4-58.9-166.3-158.7174.415.1113.4L109 H186L109-R111 PolarHBondContact O-N 2.89Å; R111-H186 VanDerWaalsContact CZ-CA 3.4Å; R111-H186 VanDerWaalsContact NE-C 3.29Å; R111-H186 PolarHBondContact NE-O 2.9Å; R111-H186 PolarHBondContact NH2-CD2 3.35Å; R111-H186 PolarHBondContact NH2-O 2.9Å
112H65.7Low78.3Confident174 Ų17465.8 Ų65.881%0.80633%0.333SS*.  trans-129.6103-176.4-58-54.1000107.6
113M64Low78.4Confident40 Ų4064.7 Ų64.720%0.19733%0.331CS..  trans-121141163.2-86.5-169.5-72.500107.4Y104 P110 Q117 L118 T121Y104-M113 HydrophobicContact CD2-CE 4.46Å; P110-M113 HydrophobicContact CB-CE 3.75Å; P110-M113 HydrophobicContact CB-CG 3.85Å; P110-M113 HydrophobicContact CB-SD 4.15Å; P110-M113 HydrophobicContact CG-CE 3.6Å; P110-M113 HydrophobicContact CG-CG 4.45Å; P110-M113 HydrophobicContact CG-SD 4.11Å; M113-Q117 HydrophobicContact CB-CB 4.03Å; M113-Q117 HydrophobicContact CG-CB 4.07Å; M113-Q117 HydrophobicContact SD-CB 4.28Å; M113-L118 HydrophobicContact CB-CD1 4.08Å; M113-L118 HydrophobicContact CB-CD2 4.36Å; M113-L118 HydrophobicContact CB-CG 3.63Å; M113-L118 HydrophobicContact CE-CD2 3.62Å; M113-L118 HydrophobicContact CE-CG 4.07Å; M113-L118 HydrophobicContact SD-CG 4.46Å; M113-T121 HydrophobicContact SD-CG2 4.33Å; M113-T121 PolarHBondContact SD-OG1 3.01Å
114T65.2Low78.3Confident67 Ų6768.3 Ų68.341%0.41135%0.347SS..  trans-63.8157.4166.681.10000109.1E116 Q117 L118T114-E116 WeakPolarHBondContact CB-OE2 3.49Å; T114-E116 PolarHBondContact O-N 2.76Å; T114-E116 VanDerWaalsContact O-N 3.16Å; T114-E116 PolarHBondContact OG1-N 3.35Å; T114-E116 PolarHBondContact OG1-OE2 2.8Å; T114-Q117 VanDerWaalsContact N-OE1 3.09Å; T114-Q117 PolarHBondContact O-N 2.05Å; T114-Q117 PolarHBondContact OG1-N 3Å; T114-Q117 VanDerWaalsContact OG1-N 3.16Å; T114-L118 PolarHBondContact O-N 3.45Å
115V66.5Low78.5Confident89 Ų8966.7 Ų66.754%0.53934%0.342SS..Hα-helixtrans-56.5-33.6177.2176.80000110.6G119V115-G119 PolarHBondContact O-N 2.98Å
116E70.4Confident78.7Confident127 Ų12767.2 Ų67.259%0.59335%0.353SS*.Hα-helixtrans-69.1-41.2175.8-55.574.6-160.500112.6T114 G119 R120T114-E116 WeakPolarHBondContact CB-OE2 3.49Å; T114-E116 PolarHBondContact O-N 2.76Å; T114-E116 VanDerWaalsContact O-N 3.16Å; T114-E116 PolarHBondContact OG1-N 3.35Å; T114-E116 PolarHBondContact OG1-OE2 2.8Å; E116-G119 PolarHBondContact O-N 2.88Å; E116-R120 WeakPolarHBondContact O-CG 3.43Å; E116-R120 PolarHBondContact O-N 3.05Å; E116-R120 VanDerWaalsContact O-N 3.14Å
117Q69.8Low79Confident98 Ų9868.4 Ų68.446%0.45836%0.359SS..Hα-helixtrans-67.7-40.9175.5-72.5174.2-27.700111.4M113 T114 R120 T121M113-Q117 HydrophobicContact CB-CB 4.03Å; M113-Q117 HydrophobicContact CG-CB 4.07Å; M113-Q117 HydrophobicContact SD-CB 4.28Å; T114-Q117 VanDerWaalsContact N-OE1 3.09Å; T114-Q117 PolarHBondContact O-N 2.05Å; T114-Q117 PolarHBondContact OG1-N 3Å; T114-Q117 VanDerWaalsContact OG1-N 3.16Å; Q117-R120 PolarHBondContact O-N 3.37Å; Q117-T121 WeakPolarHBondContact O-CG2 3.41Å; Q117-T121 PolarHBondContact O-N 3.5Å; Q117-T121 VanDerWaalsContact O-N 3.07Å; Q117-T121 PolarHBondContact O-OG1 2.97Å
118L68.7Low79.6Confident26 Ų2667.9 Ų67.914%0.13635%0.353CS..Hα-helixtrans-56.6-52.5170.4-84153.2000109.9I66 M113 T114 R120 T121 L122I66-L118 HydrophobicContact CD1-CB 3.89Å; I66-L118 HydrophobicContact CD1-CD1 4.29Å; I66-L118 HydrophobicContact CD1-CD2 4.4Å; I66-L118 HydrophobicContact CD1-CG 4.4Å; M113-L118 HydrophobicContact CB-CD1 4.08Å; M113-L118 HydrophobicContact CB-CD2 4.36Å; M113-L118 HydrophobicContact CB-CG 3.63Å; M113-L118 HydrophobicContact CE-CD2 3.62Å; M113-L118 HydrophobicContact CE-CG 4.07Å; M113-L118 HydrophobicContact SD-CG 4.46Å; T114-L118 PolarHBondContact O-N 3.45Å; L118-R120 PolarHBondContact O-N 2.9Å; L118-R120 VanDerWaalsContact O-N 3.13Å; L118-T121 PolarHBondContact O-N 3.23Å; L118-T121 PolarHBondContact O-OG1 3.02Å; L118-L122 HydrophobicContact CB-CD1 4.01Å; L118-L122 HydrophobicContact CD2-CD1 3.81Å; L118-L122 HydrophobicContact CD2-CG 4.28Å; L118-L122 WeakPolarHBondContact O-CB 3.2Å; L118-L122 WeakPolarHBondContact O-CG 2.95Å; L118-L122 PolarHBondContact O-N 3.39Å
119G71.6Confident80Confident55 Ų5567.4 Ų67.457%0.56735%0.349SS*.Hα-helixtrans-59.8-26.6-17900000114.8V115 E116V115-G119 PolarHBondContact O-N 2.98Å; E116-G119 PolarHBondContact O-N 2.88Å
120R78Confident80.1Confident224 Ų22467.3 Ų67.385%0.84535%0.351SS*.Hα-helixtrans-87.4-29.2178.1-71.6178-178-135.91.4114.4E116 Q117 L118E116-R120 WeakPolarHBondContact O-CG 3.43Å; E116-R120 PolarHBondContact O-N 3.05Å; E116-R120 VanDerWaalsContact O-N 3.14Å; Q117-R120 PolarHBondContact O-N 3.37Å; L118-R120 PolarHBondContact O-N 2.9Å; L118-R120 VanDerWaalsContact O-N 3.13Å
121T83.9Confident79.7Confident56 Ų5666.1 Ų66.134%0.34434%0.344SS..Hα-helixtrans-94.4-24.6-177.452.60000112.5M113 Q117 L118M113-T121 HydrophobicContact SD-CG2 4.33Å; M113-T121 PolarHBondContact SD-OG1 3.01Å; Q117-T121 WeakPolarHBondContact O-CG2 3.41Å; Q117-T121 PolarHBondContact O-N 3.5Å; Q117-T121 VanDerWaalsContact O-N 3.07Å; Q117-T121 PolarHBondContact O-OG1 2.97Å; L118-T121 PolarHBondContact O-N 3.23Å; L118-T121 PolarHBondContact O-OG1 3.02Å
122L89.9Confident79.3Confident13 Ų1361.5 Ų61.57%0.06833%0.332CS..SBendtrans-79131.4178.4-71.2177.2000111.7F59 I66 R102 L118F59-L122 HydrophobicContact CD2-CD2 3.83Å; F59-L122 HydrophobicContact CE2-CD2 4.19Å; F59-L122 HydrophobicContact CG-CD2 4.47Å; I66-L122 HydrophobicContact CD1-CD1 3.68Å; I66-L122 HydrophobicContact CG2-CD1 4.42Å; R102-L122 HydrophobicContact CB-CB 3.95Å; R102-L122 HydrophobicContact CB-CD1 3.84Å; R102-L122 HydrophobicContact CB-CD2 4.18Å; R102-L122 HydrophobicContact CB-CG 4.21Å; R102-L122 HydrophobicContact CG-CB 4.27Å; R102-L122 HydrophobicContact CG-CD1 4.18Å; L118-L122 HydrophobicContact CB-CD1 4.01Å; L118-L122 HydrophobicContact CD2-CD1 3.81Å; L118-L122 HydrophobicContact CD2-CG 4.28Å; L118-L122 WeakPolarHBondContact O-CB 3.2Å; L118-L122 WeakPolarHBondContact O-CG 2.95Å; L118-L122 PolarHBondContact O-N 3.39Å
123I93.4Very high79.2Confident28 Ų2855.2 Ų55.214%0.14431%0.305CS..EExtended strand (participates in β ladder)trans-92.4133178.4-52.1175.4000108.6R102 V103 V105 L150 H152 V154R102-I123 WeakPolarHBondContact CA-O 3.21Å; V103-I123 PolarHBondContact N-O 3.27Å; V103-I123 PolarHBondContact O-N 3.04Å; V105-I123 HydrophobicContact CG2-CD1 4.14Å; I123-L150 HydrophobicContact CD1-CD1 4.33Å; I123-L150 HydrophobicContact CG2-CB 3.92Å; I123-L150 HydrophobicContact CG2-CD1 4.2Å; I123-L150 HydrophobicContact CG2-CD2 4.37Å; I123-L150 HydrophobicContact CG2-CG 4.39Å; I123-H152 HydrophobicContact CG2-CB 4.34Å; I123-V154 HydrophobicContact CD1-CG2 3.17Å
124E94Very high79.1Confident76 Ų7656 Ų5636%0.35531%0.306SS..EExtended strand (participates in β ladder)trans-70.3139175.1-65.3-170.2-167.100111.8K151E124-K151 HydrophobicContact CB-CB 4.3Å; E124-K151 HydrophobicContact CB-CD 3.75Å; E124-K151 HydrophobicContact CB-CG 3.99Å; E124-K151 PolarHBondContact O-N 3.28Å; E124-K151 WeakPolarHBondContact OE2-CD 3.21Å; E124-K151 WeakPolarHBondContact OE2-CE 3.25Å; E124-K151 IonicContact OE2-NZ 2.68Å; E124-K151 PolarHBondContact OE2-NZ 3.18Å
125V95.6Very high78.9Confident2 Ų254.9 Ų54.91%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-81.4125.9167.6-176.90000108.2A98 V103 S127 I128 L148 L150A98-V125 HydrophobicContact CB-CB 4.34Å; A98-V125 HydrophobicContact CB-CG1 4Å; V103-V125 HydrophobicContact CG2-CG2 3.97Å; V125-S127 VanDerWaalsContact CG1-O 3.29Å; V125-S127 WeakPolarHBondContact CG1-O 3.17Å; V125-I128 HydrophobicContact CG1-CG1 3.82Å; V125-L148 HydrophobicContact CG1-CB 4.1Å; V125-L148 HydrophobicContact CG1-CD2 4.35Å; V125-L148 HydrophobicContact CG2-CB 4.45Å; V125-L148 HydrophobicContact CG2-CD1 4.33Å; V125-L150 HydrophobicContact CG2-CD2 4.4Å
126G95.2Very high78.6Confident39 Ų3958 Ų5840%0.40231%0.312SS..EExtended strand (participates in β ladder)trans-88-42.6177.200000112.5K149G126-K149 WeakPolarHBondContact CA-O 3.44Å; G126-K149 PolarHBondContact N-O 2.91Å
127S94.5Very high78.3Confident36 Ų3657.3 Ų57.325%0.25231%0.305SS..EExtended strand (participates in β ladder)trans-146.9157.4174.5680000111.5V125 F129 K149V125-S127 VanDerWaalsContact CG1-O 3.29Å; V125-S127 WeakPolarHBondContact CG1-O 3.17Å; S127-F129 WeakPolarHBondContact OG-CE2 3.46Å; S127-F129 VanDerWaalsContact OG-CZ 3.32Å; S127-F129 WeakPolarHBondContact OG-CZ 3.17Å; S127-K149 PolarHBondContact N-O 2.87Å; S127-K149 PolarHBondContact O-N 2.83Å; S127-K149 WeakPolarHBondContact OG-CB 3.46Å
128I93.7Very high78.2Confident11 Ų1158.4 Ų58.46%0.05631%0.314CS..EExtended strand (participates in β ladder)trans-123.1123.6178.5-62.5170.3000106.1V93 A98 Y101 V125 A130 T146 L148V93-I128 HydrophobicContact CG1-CD1 3.58Å; V93-I128 HydrophobicContact CG1-CG1 4.28Å; V93-I128 HydrophobicContact CG1-CG2 3.93Å; A98-I128 HydrophobicContact CB-CD1 4.16Å; A98-I128 HydrophobicContact CB-CG1 4.14Å; Y101-I128 HydrophobicContact CD2-CD1 3.61Å; Y101-I128 HydrophobicContact CE2-CD1 3.66Å; V125-I128 HydrophobicContact CG1-CG1 3.82Å; I128-A130 HydrophobicContact CG2-CB 4.26Å; I128-T146 HydrophobicContact CG2-CG2 3.72Å; I128-L148 HydrophobicContact CB-CD2 4.35Å; I128-L148 HydrophobicContact CD1-CD2 4.48Å; I128-L148 HydrophobicContact CG1-CD2 3.78Å; I128-L148 HydrophobicContact CG2-CD2 4.06Å
129F91Very high77.9Confident37 Ų3762.7 Ų62.716%0.16233%0.333CS..EExtended strand (participates in β ladder)trans-110.1111169.8-52.5-83.4000107.7S127 T146 V147 K149 I284 Q285 E288S127-F129 WeakPolarHBondContact OG-CE2 3.46Å; S127-F129 VanDerWaalsContact OG-CZ 3.32Å; S127-F129 WeakPolarHBondContact OG-CZ 3.17Å; F129-T146 CarbonylContact O-C 3.55Å; F129-T146 WeakPolarHBondContact O-CA 3.5Å; F129-V147 HydrophobicContact CB-CB 4.39Å; F129-V147 PolarHBondContact N-O 3.03Å; F129-V147 PolarHBondContact O-N 2.91Å; F129-K149 HydrophobicContact CE2-CB 4.04Å; F129-I284 HydrophobicContact CB-CG2 3.77Å; F129-Q285 HydrophobicContact CB-CG 4.47Å; F129-Q285 HydrophobicContact CD2-CG 3.89Å; F129-Q285 HydrophobicContact CE2-CG 4.2Å; F129-Q285 HydrophobicContact CG-CG 4.05Å; F129-E288 WeakPolarHBondContact CA-OE2 3.44Å; F129-E288 HydrophobicContact CD1-CB 4.16Å; F129-E288 VanDerWaalsContact CD1-OE2 3.31Å; F129-E288 WeakPolarHBondContact CD1-OE2 3.13Å
130A83.8Confident77.7Confident21 Ų2160.2 Ų60.217%0.17431%0.307CS..EExtended strand (participates in β ladder)trans-124.3127.4-175.200000109.7I128 T146 E288I128-A130 HydrophobicContact CG2-CB 4.26Å; A130-T146 HydrophobicContact CB-CG2 4.24Å; A130-T146 VanDerWaalsContact CB-OG1 3.29Å; A130-T146 WeakPolarHBondContact CB-OG1 3.34Å; A130-E288 PolarHBondContact N-OE1 3.22Å; A130-E288 VanDerWaalsContact O-OE1 3.1Å
131T67.9Low77.4Confident23 Ų2355.1 Ų55.114%0.14129%0.291CS..EExtended strand (participates in β ladder)trans-122.8107.2169-31.80000108L133 G144 L145 I284 L287T131-L133 HydrophobicContact CG2-CD2 3.79Å; T131-L133 HydrophobicContact CG2-CG 4.29Å; T131-L133 PolarHBondContact O-N 2.87Å; T131-G144 VanDerWaalsContact O-CA 3.26Å; T131-G144 WeakPolarHBondContact O-CA 3.43Å; T131-L145 PolarHBondContact N-O 3.08Å; T131-L145 VanDerWaalsContact N-O 3.11Å; T131-L145 PolarHBondContact O-N 2.89Å; T131-I284 VanDerWaalsContact OG1-CG1 3.28Å; T131-I284 WeakPolarHBondContact OG1-CG1 3.39Å; T131-I284 WeakPolarHBondContact OG1-CG2 3.2Å; T131-L287 HydrophobicContact CG2-CD1 4.22Å
132P63.9Low77.1Confident49 Ų4954.5 Ų54.532%0.31829%0.291SS..  trans-65.984.5151.229.7-31.2000105.8Y134 A135 K141P132-Y134 PolarHBondContact O-N 3.43Å; P132-A135 HydrophobicContact CB-CB 3.93Å; P132-A135 HydrophobicContact CG-CB 3.8Å; P132-A135 WeakPolarHBondContact O-CB 3.14Å; P132-A135 PolarHBondContact O-N 2.9Å; P132-K141 WeakPolarHBondContact CB-O 3.45Å
133L61.9Low76.9Confident42 Ų4254 Ų5422%0.2229%0.289CS..THydrogen-bonded Turntrans-51.5-19.5-177-72.1168.8000112.1T131T131-L133 HydrophobicContact CG2-CD2 3.79Å; T131-L133 HydrophobicContact CG2-CG 4.29Å; T131-L133 PolarHBondContact O-N 2.87Å
134Y62.4Low76.5Confident57 Ų5752.6 Ų52.622%0.22428%0.282CS..THydrogen-bonded Turntrans-126.130.7-177.8-48-69.7000113.4P132 Q136 Y137 L140 V214P132-Y134 PolarHBondContact O-N 3.43Å; Y134-Q136 PolarHBondContact O-N 2.79Å; Y134-Y137 PolarHBondContact O-N 3.36Å; Y134-L140 VanDerWaalsContact CB-CD1 3.42Å; Y134-L140 HydrophobicContact CD1-CD1 4.48Å; Y134-L140 HydrophobicContact CD2-CD1 4.34Å; Y134-L140 HydrophobicContact CG-CB 4.43Å; Y134-L140 HydrophobicContact CG-CD1 3.83Å; Y134-V214 HydrophobicContact CD1-CG1 4.43Å; Y134-V214 HydrophobicContact CD2-CG2 4.33Å; Y134-V214 HydrophobicContact CE1-CB 4.18Å; Y134-V214 HydrophobicContact CE1-CG1 3.5Å; Y134-V214 HydrophobicContact CE2-CB 3.57Å; Y134-V214 HydrophobicContact CE2-CG1 3.88Å; Y134-V214 HydrophobicContact CE2-CG2 3.84Å; Y134-V214 VanDerWaalsContact CZ-CB 3.4Å; Y134-V214 VanDerWaalsContact OH-CB 3.23Å; Y134-V214 WeakPolarHBondContact OH-CB 3.36Å; Y134-V214 WeakPolarHBondContact OH-CG1 3.21Å
135A61.7Low76.4Confident44 Ų4449 Ų4936%0.36427%0.265SS..THydrogen-bonded Turntrans-52.7-23.9179.200000115.2P132 Y137 K141P132-A135 HydrophobicContact CB-CB 3.93Å; P132-A135 HydrophobicContact CG-CB 3.8Å; P132-A135 WeakPolarHBondContact O-CB 3.14Å; P132-A135 PolarHBondContact O-N 2.9Å; A135-Y137 PolarHBondContact O-N 3.4Å; A135-K141 WeakPolarHBondContact O-CE 3.3Å; A135-K141 VanDerWaalsContact O-CG 3.23Å; A135-K141 WeakPolarHBondContact O-CG 3.45Å
136Q60.1Low76.2Confident154 Ų15448.9 Ų48.972%0.7226%0.264SS*.THydrogen-bonded Turntrans-71-14.917567.2-147.145.100114.4Y134Y134-Q136 PolarHBondContact O-N 2.79Å
137Y64.4Low76.2Confident113 Ų11347 Ų4744%0.44325%0.245SC..SBendtrans-104.9120.9177.5-61.9-88.2000109.2Y134 A135 E139 L140 K141Y134-Y137 PolarHBondContact O-N 3.36Å; A135-Y137 PolarHBondContact O-N 3.4Å; Y137-E139 PolarHBondContact O-N 3.09Å; Y137-L140 HydrophobicContact CD2-CD1 4.01Å; Y137-L140 HydrophobicContact CG-CD1 3.88Å; Y137-L140 CarbonylContact O-C 3.52Å; Y137-L140 PolarHBondContact O-N 3.35Å; Y137-K141 PolarHBondContact O-N 3.43Å; Y137-K141 VanDerWaalsContact O-N 3.13Å
138D65.8Low76.3Confident120 Ų12045.3 Ų45.364%0.64223%0.233SC*.G310 helixtrans-56.2-36.6-176.6-80-31.5000112.4L140 K141D138-L140 PolarHBondContact O-N 3.45Å; D138-K141 WeakPolarHBondContact OD1-CE 3.11Å; D138-K141 IonicContact OD1-NZ 3.95Å; D138-K141 PolarHBondContact OD1-NZ 3.32Å
139E63.5Low76.4Confident117 Ų11747.2 Ų47.255%0.54724%0.241SC..G310 helixtrans-67.7-18.1178-58.187.2-177.800113.6Y137Y137-E139 PolarHBondContact O-N 3.09Å
140L68Low76.7Confident3 Ų345.8 Ų45.82%0.01624%0.235CC..G310 helixtrans-1211.8-167.3-48.1172.1000113.6Y134 Y137 D138 A142 M143 L211 M215Y134-L140 VanDerWaalsContact CB-CD1 3.42Å; Y134-L140 HydrophobicContact CD1-CD1 4.48Å; Y134-L140 HydrophobicContact CD2-CD1 4.34Å; Y134-L140 HydrophobicContact CG-CB 4.43Å; Y134-L140 HydrophobicContact CG-CD1 3.83Å; Y137-L140 HydrophobicContact CD2-CD1 4.01Å; Y137-L140 HydrophobicContact CG-CD1 3.88Å; Y137-L140 CarbonylContact O-C 3.52Å; Y137-L140 PolarHBondContact O-N 3.35Å; D138-L140 PolarHBondContact O-N 3.45Å; L140-A142 PolarHBondContact O-N 2.71Å; L140-M143 HydrophobicContact CB-CB 4.42Å; L140-M143 HydrophobicContact CD2-SD 4.35Å; L140-M143 WeakPolarHBondContact O-CA 3.3Å; L140-M143 PolarHBondContact O-N 3.1Å; L140-M143 VanDerWaalsContact O-O 3.13Å; L140-L211 HydrophobicContact CD1-CD1 3.18Å; L140-L211 HydrophobicContact CD2-CD1 4.16Å; L140-L211 HydrophobicContact CG-CD1 4.18Å; L140-M215 HydrophobicContact CD2-CE 3.06Å; L140-M215 HydrophobicContact CG-CE 4.45Å
141K70.9Confident77.3Confident116 Ų11650.4 Ų50.450%0.50425%0.251SS..THydrogen-bonded Turntrans-51.3-33.5-178.7-83.7175.5174.8174.90114.2P132 A135 Y137 D138P132-K141 WeakPolarHBondContact CB-O 3.45Å; A135-K141 WeakPolarHBondContact O-CE 3.3Å; A135-K141 VanDerWaalsContact O-CG 3.23Å; A135-K141 WeakPolarHBondContact O-CG 3.45Å; Y137-K141 PolarHBondContact O-N 3.43Å; Y137-K141 VanDerWaalsContact O-N 3.13Å; D138-K141 WeakPolarHBondContact OD1-CE 3.11Å; D138-K141 IonicContact OD1-NZ 3.95Å; D138-K141 PolarHBondContact OD1-NZ 3.32Å
142A78.5Confident78.5Confident43 Ų4355.5 Ų55.536%0.35527%0.273SS..THydrogen-bonded Turntrans-94.2-13.2177.600000113.5R91 L140R91-A142 HydrophobicContact CB-CB 4.19Å; R91-A142 WeakPolarHBondContact CB-O 3.37Å; R91-A142 PolarHBondContact N-O 2.93Å; R91-A142 VanDerWaalsContact N-O 3.08Å; L140-A142 PolarHBondContact O-N 2.71Å
143M83.8Confident79.9Confident2 Ų260.3 Ų60.31%0.0129%0.285CS..  trans-85121.5-179.3-172.6163.5-176.800109.2L140 M215 D248 M274L140-M143 HydrophobicContact CB-CB 4.42Å; L140-M143 HydrophobicContact CD2-SD 4.35Å; L140-M143 WeakPolarHBondContact O-CA 3.3Å; L140-M143 PolarHBondContact O-N 3.1Å; L140-M143 VanDerWaalsContact O-O 3.13Å; M143-M215 HydrophobicContact CE-CB 4.39Å; M143-M215 HydrophobicContact CE-CE 4.04Å; M143-M215 HydrophobicContact CE-CG 3.63Å; M143-M215 HydrophobicContact CE-SD 4Å; M143-M215 HydrophobicContact SD-CE 3.3Å; M143-M215 WeakPolarHBondContact SD-CE 3.2Å; M143-M215 HydrophobicContact SD-CG 4.18Å; M143-M215 HydrophobicContact SD-SD 3.9Å; M143-D248 HydrophobicContact CE-CB 4.25Å; M143-M274 HydrophobicContact CB-CE 4.4Å; M143-M274 VanDerWaalsContact CE-CA 3.47Å; M143-M274 HydrophobicContact CE-CB 3.71Å; M143-M274 HydrophobicContact CE-CE 4.1Å; M143-M274 HydrophobicContact CG-CE 3.41Å; M143-M274 VanDerWaalsContact CG-CE 3.41Å
144G86.7Confident81.2Confident0 Ų059.4 Ų59.40%028%0.281CS..  trans-169.9171.1-175.100000111.6A89 S90 T131 M274A89-G144 CarbonylContact C-O 3.57Å; A89-G144 WeakPolarHBondContact CA-O 3.42Å; S90-G144 PolarHBondContact N-O 3.03Å; S90-G144 WeakPolarHBondContact OG-CA 2.88Å; S90-G144 PolarHBondContact OG-O 2.8Å; T131-G144 VanDerWaalsContact O-CA 3.26Å; T131-G144 WeakPolarHBondContact O-CA 3.43Å; G144-M274 VanDerWaalsContact O-SD 3.42Å
145L90.7Very high82.4Confident0 Ų061.5 Ų61.50%029%0.291CS..EExtended strand (participates in β ladder)trans-102.5132.4167164.664.5000107.6V87 S90 T131 V147 I246 M274 L276 D280 I284V87-L145 HydrophobicContact CB-CD1 4.33Å; V87-L145 HydrophobicContact CG1-CD1 3.5Å; V87-L145 VanDerWaalsContact CG1-CD1 3.5Å; V87-L145 HydrophobicContact CG2-CD1 4.33Å; S90-L145 PolarHBondContact OG-N 3.5Å; S90-L145 VanDerWaalsContact OG-N 3.16Å; S90-L145 PolarHBondContact OG-O 2.89Å; S90-L145 VanDerWaalsContact OG-O 3.05Å; T131-L145 PolarHBondContact N-O 3.08Å; T131-L145 VanDerWaalsContact N-O 3.11Å; T131-L145 PolarHBondContact O-N 2.89Å; L145-V147 HydrophobicContact CG-CG2 4.44Å; L145-I246 HydrophobicContact CD1-CD1 3.65Å; L145-M274 HydrophobicContact CB-SD 3.84Å; L145-M274 PolarHBondContact N-SD 3.07Å; L145-M274 VanDerWaalsContact N-SD 3.36Å; L145-L276 HydrophobicContact CD1-CD2 4.09Å; L145-L276 HydrophobicContact CD2-CD2 3.85Å; L145-L276 HydrophobicContact CG-CD2 4.43Å; L145-D280 HydrophobicContact CD2-CB 3.73Å; L145-I284 HydrophobicContact CB-CD1 3.54Å; L145-I284 HydrophobicContact CD2-CD1 3.42Å; L145-I284 VanDerWaalsContact CD2-CD1 3.42Å; L145-I284 HydrophobicContact CD2-CG1 4.46Å; L145-I284 HydrophobicContact CG-CD1 3.42Å; L145-I284 VanDerWaalsContact CG-CD1 3.42Å
146T92.6Very high83.3Confident0 Ų062 Ų620%029%0.287CS..EExtended strand (participates in β ladder)trans-118.8132.4169.4-70.40000109.8T88 S90 V93 I128 F129 A130 L148T88-T146 HydrophobicContact CG2-CG2 4.28Å; T88-T146 PolarHBondContact N-O 3.15Å; T88-T146 PolarHBondContact O-N 3.26Å; S90-T146 WeakPolarHBondContact CA-OG1 2.98Å; S90-T146 WeakPolarHBondContact CB-OG1 3.31Å; S90-T146 PolarHBondContact OG-OG1 3.21Å; V93-T146 HydrophobicContact CB-CG2 4.21Å; V93-T146 HydrophobicContact CG2-CG2 4.45Å; I128-T146 HydrophobicContact CG2-CG2 3.72Å; F129-T146 CarbonylContact O-C 3.55Å; F129-T146 WeakPolarHBondContact O-CA 3.5Å; A130-T146 HydrophobicContact CB-CG2 4.24Å; A130-T146 VanDerWaalsContact CB-OG1 3.29Å; A130-T146 WeakPolarHBondContact CB-OG1 3.34Å; T146-L148 HydrophobicContact CG2-CD2 3.66Å; T146-L148 HydrophobicContact CG2-CG 4.39Å
147V94.9Very high83.8Confident0 Ų057.3 Ų57.30%027%0.269CS..EExtended strand (participates in β ladder)trans-107.5114.6172.1-176.70000108.2E85 V86 V87 F129 L145 V281 I284E85-V147 HydrophobicContact CB-CG1 4.37Å; E85-V147 HydrophobicContact CG-CG1 4.41Å; V86-V147 CarbonylContact O-C 3.59Å; V86-V147 VanDerWaalsContact O-CA 3.31Å; V86-V147 WeakPolarHBondContact O-CA 3.38Å; V87-V147 HydrophobicContact CG2-CG2 4.43Å; F129-V147 HydrophobicContact CB-CB 4.39Å; F129-V147 PolarHBondContact N-O 3.03Å; F129-V147 PolarHBondContact O-N 2.91Å; L145-V147 HydrophobicContact CG-CG2 4.44Å; V147-V281 HydrophobicContact CG1-CG1 4.13Å; V147-V281 HydrophobicContact CG2-CB 4.42Å; V147-V281 HydrophobicContact CG2-CG1 4.02Å; V147-V281 HydrophobicContact CG2-CG2 4.31Å; V147-I284 HydrophobicContact CG2-CG2 4.42Å
148L96.2Very high83.8Confident0 Ų061.3 Ų61.30%029%0.292CS..EExtended strand (participates in β ladder)trans-89.4124.9171.2-47.9177.2000108.4I58 E85 V86 V93 V103 V125 I128 T146I58-L148 HydrophobicContact CD1-CD1 3.86Å; I58-L148 HydrophobicContact CG1-CD1 4.09Å; I58-L148 HydrophobicContact CG2-CD1 4.31Å; E85-L148 WeakPolarHBondContact CA-O 3.23Å; V86-L148 HydrophobicContact CB-CB 4.18Å; V86-L148 HydrophobicContact CG1-CD1 4.37Å; V86-L148 PolarHBondContact N-O 3.05Å; V86-L148 PolarHBondContact O-N 2.87Å; V93-L148 HydrophobicContact CG1-CD2 4.1Å; V93-L148 HydrophobicContact CG2-CD2 4.11Å; V103-L148 HydrophobicContact CG2-CD1 4.07Å; V125-L148 HydrophobicContact CG1-CB 4.1Å; V125-L148 HydrophobicContact CG1-CD2 4.35Å; V125-L148 HydrophobicContact CG2-CB 4.45Å; V125-L148 HydrophobicContact CG2-CD1 4.33Å; I128-L148 HydrophobicContact CB-CD2 4.35Å; I128-L148 HydrophobicContact CD1-CD2 4.48Å; I128-L148 HydrophobicContact CG1-CD2 3.78Å; I128-L148 HydrophobicContact CG2-CD2 4.06Å; T146-L148 HydrophobicContact CG2-CD2 3.66Å; T146-L148 HydrophobicContact CG2-CG 4.39Å
149K96.2Very high84.1Confident51 Ų5157.9 Ų57.922%0.22229%0.285CS..EExtended strand (participates in β ladder)trans-91.4115.7168.5-164.368.6167.7177.20108.5D84 E85 G126 S127 F129D84-K149 HydrophobicContact CB-CD 4.45Å; D84-K149 CarbonylContact O-C 3.5Å; D84-K149 WeakPolarHBondContact O-CA 3.14Å; D84-K149 WeakPolarHBondContact OD1-CE 3.3Å; D84-K149 IonicContact OD1-NZ 3.6Å; D84-K149 PolarHBondContact OD1-NZ 2.8Å; D84-K149 WeakPolarHBondContact OD2-CE 3.45Å; D84-K149 IonicContact OD2-NZ 2.61Å; D84-K149 PolarHBondContact OD2-NZ 3.36Å; D84-K149 VanDerWaalsContact OD2-NZ 3.07Å; E85-K149 HydrophobicContact CG-CD 3.82Å; E85-K149 IonicContact OE1-NZ 2.99Å; E85-K149 PolarHBondContact OE1-NZ 3.17Å; G126-K149 WeakPolarHBondContact CA-O 3.44Å; G126-K149 PolarHBondContact N-O 2.91Å; S127-K149 PolarHBondContact N-O 2.87Å; S127-K149 PolarHBondContact O-N 2.83Å; S127-K149 WeakPolarHBondContact OG-CB 3.46Å; F129-K149 HydrophobicContact CE2-CB 4.04Å
150L96.8Very high84.8Confident6 Ų652.7 Ų52.73%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-75.1146.9176.6-54.5-176.5000110.2D84 V86 V103 I123 V125 H152 V154D84-L150 HydrophobicContact CB-CB 4.23Å; D84-L150 PolarHBondContact O-N 3.01Å; V86-L150 HydrophobicContact CG2-CD1 3.98Å; V86-L150 HydrophobicContact CG2-CD2 4.19Å; V86-L150 HydrophobicContact CG2-CG 4.21Å; V103-L150 HydrophobicContact CB-CD2 3.85Å; V103-L150 HydrophobicContact CG1-CD2 4.35Å; V103-L150 HydrophobicContact CG2-CD2 3.66Å; I123-L150 HydrophobicContact CD1-CD1 4.33Å; I123-L150 HydrophobicContact CG2-CB 3.92Å; I123-L150 HydrophobicContact CG2-CD1 4.2Å; I123-L150 HydrophobicContact CG2-CD2 4.37Å; I123-L150 HydrophobicContact CG2-CG 4.39Å; V125-L150 HydrophobicContact CG2-CD2 4.4Å; L150-H152 WeakPolarHBondContact CB-O 3.43Å; L150-H152 PolarHBondContact O-N 3.46Å; L150-V154 HydrophobicContact CD1-CG2 4.04Å
151K95.7Very high85.6Confident119 Ų11956.2 Ų56.252%0.51728%0.277SS..EExtended strand (participates in β ladder)trans-67.8-23.3173.4-69-165.8-176.7172.10112.9E124E124-K151 HydrophobicContact CB-CB 4.3Å; E124-K151 HydrophobicContact CB-CD 3.75Å; E124-K151 HydrophobicContact CB-CG 3.99Å; E124-K151 PolarHBondContact O-N 3.28Å; E124-K151 WeakPolarHBondContact OE2-CD 3.21Å; E124-K151 WeakPolarHBondContact OE2-CE 3.25Å; E124-K151 IonicContact OE2-NZ 2.68Å; E124-K151 PolarHBondContact OE2-NZ 3.18Å
152H93.4Very high86.4Confident129 Ų12951.9 Ų51.960%0.59726%0.262SS*.EExtended strand (participates in β ladder)trans-128139.5178.7-59.5-67.2000110.4I123 L150I123-H152 HydrophobicContact CG2-CB 4.34Å; L150-H152 WeakPolarHBondContact CB-O 3.43Å; L150-H152 PolarHBondContact O-N 3.46Å
153R93.2Very high87.1Confident150 Ų15050 Ų5057%0.56625%0.246SC*.EExtended strand (participates in β ladder)trans-72.8141.1172.8-74.4178.1149.7-153.9-12.9110.4Y82 S83 D84Y82-R153 HydrophobicContact CD1-CB 4.47Å; S83-R153 WeakPolarHBondContact O-CA 3.23Å; D84-R153 HydrophobicContact CB-CG 3.71Å; D84-R153 IonicContact OD2-NE 2.8Å
154V90.5Very high87.5Confident24 Ų2452 Ų5215%0.14526%0.259CS..EExtended strand (participates in β ladder)trans-109.8133.3176.1-171.50000108.5L74 Y82 S83 V105 I123 L150L74-V154 HydrophobicContact CD1-CB 4.43Å; L74-V154 HydrophobicContact CD1-CG1 4.37Å; Y82-V154 CarbonylContact C-O 3.33Å; Y82-V154 VanDerWaalsContact CA-O 3.26Å; Y82-V154 WeakPolarHBondContact CA-O 3.41Å; S83-V154 PolarHBondContact N-O 2.97Å; S83-V154 PolarHBondContact O-N 2.85Å; V105-V154 HydrophobicContact CB-CG1 4.22Å; V105-V154 HydrophobicContact CG1-CG1 3.96Å; V105-V154 HydrophobicContact CG2-CG1 4.45Å; V105-V154 HydrophobicContact CG2-CG2 4.23Å; I123-V154 HydrophobicContact CD1-CG2 3.17Å; L150-V154 HydrophobicContact CD1-CG2 4.04Å
155K87.3Confident87.9Confident100 Ų10052.5 Ų52.544%0.43526%0.261SS..EExtended strand (participates in β ladder)trans-74.4134.7170.5-164.5-179.4-179.7-176.20108.6T81 Y82 T157T81-K155 WeakPolarHBondContact O-CA 3.39Å; Y82-K155 HydrophobicContact CD1-CB 3.81Å; Y82-K155 HydrophobicContact CD1-CG 4.28Å; Y82-K155 HydrophobicContact CE1-CB 3.44Å; Y82-K155 VanDerWaalsContact CE1-CB 3.44Å; Y82-K155 HydrophobicContact CE1-CD 4.23Å; Y82-K155 HydrophobicContact CE1-CG 3.78Å; Y82-K155 HydrophobicContact CE2-CG 4.19Å; K155-T157 HydrophobicContact CB-CG2 4.17Å; K155-T157 HydrophobicContact CD-CG2 4.35Å; K155-T157 HydrophobicContact CG-CG2 4.38Å; K155-T157 PolarHBondContact O-N 2.88Å; K155-T157 VanDerWaalsContact O-N 3.08Å
156I80.3Confident88Confident55 Ų5552.7 Ų52.728%0.28226%0.263SS..  trans-65.3111164.2-56.9162000106.8V76 T81 V160V76-I156 HydrophobicContact CB-CD1 3.79Å; V76-I156 HydrophobicContact CG1-CD1 3.62Å; V76-I156 HydrophobicContact CG2-CD1 3.41Å; V76-I156 VanDerWaalsContact CG2-CD1 3.41Å; V76-I156 HydrophobicContact CG2-CG1 3.67Å; T81-I156 PolarHBondContact O-N 3.37Å; I156-V160 WeakPolarHBondContact CG2-O 3.48Å
157T70.4Confident88Confident55 Ų5558.7 Ų58.734%0.33729%0.286SS..  trans-109.7172.8177.855.60000110.9K155 G159 V160K155-T157 HydrophobicContact CB-CG2 4.17Å; K155-T157 HydrophobicContact CD-CG2 4.35Å; K155-T157 HydrophobicContact CG-CG2 4.38Å; K155-T157 PolarHBondContact O-N 2.88Å; K155-T157 VanDerWaalsContact O-N 3.08Å; T157-G159 PolarHBondContact O-N 3.09Å; T157-V160 PolarHBondContact O-N 3.32Å
158Q65.2Low87.5Confident198 Ų19861.5 Ų61.593%0.92531%0.306SS*.THydrogen-bonded Turntrans-59.1131.7174.4-69.2-174.8-11.400110.5
159G70.7Confident86.9Confident47 Ų4767 Ų6749%0.48534%0.344SS..THydrogen-bonded Turntrans101.1-21.317800000115.2A107 T157A107-G159 WeakPolarHBondContact CB-O 3.46Å; T157-G159 PolarHBondContact O-N 3.09Å
160V78.8Confident86.6Confident9 Ų966.7 Ų66.76%0.05535%0.347CS..  trans-116113.7174.4-178.50000108.4S54 L74 V105 I156 T157S54-V160 WeakPolarHBondContact O-CG1 3.44Å; L74-V160 HydrophobicContact CD1-CG1 4.25Å; V105-V160 HydrophobicContact CG1-CB 4.47Å; V105-V160 HydrophobicContact CG1-CG1 3.86Å; V105-V160 HydrophobicContact CG1-CG2 4.16Å; I156-V160 WeakPolarHBondContact CG2-O 3.48Å; T157-V160 PolarHBondContact O-N 3.32Å
161E85.2Confident86.5Confident76 Ų7669.2 Ų69.236%0.35537%0.365SS..  trans-101.6137.2-178.8-169.1170.3152.500111G52 A53 F163G52-E161 WeakPolarHBondContact CA-OE2 3.46Å; G52-E161 PolarHBondContact N-OE2 3.13Å; A53-E161 PolarHBondContact O-N 2.9Å; E161-F163 HydrophobicContact CB-CE1 4.16Å; E161-F163 HydrophobicContact CB-CE2 4.12Å; E161-F163 HydrophobicContact CB-CZ 3.7Å; E161-F163 VanDerWaalsContact CD-CE1 3.41Å; E161-F163 HydrophobicContact CG-CD1 4.23Å; E161-F163 HydrophobicContact CG-CE1 3.7Å; E161-F163 HydrophobicContact CG-CE2 4.38Å; E161-F163 HydrophobicContact CG-CZ 3.78Å; E161-F163 WeakPolarHBondContact O-CE2 3.13Å; E161-F163 WeakPolarHBondContact OE1-CE1 3.12Å
162S87.7Confident86.5Confident26 Ų2664 Ų6418%0.18234%0.344CS..  trans-98.5137.7166.6-177.70000109.2L74 V76L74-S162 WeakPolarHBondContact O-CB 3.42Å; L74-S162 PolarHBondContact O-OG 3.42Å; V76-S162 WeakPolarHBondContact CB-OG 3.29Å; V76-S162 WeakPolarHBondContact CG2-OG 3.24Å; V76-S162 PolarHBondContact N-OG 2.95Å
163F92.1Very high86.6Confident4 Ų461.5 Ų61.52%0.01834%0.338CS..  trans-112136-176.7-57.1-80.1000109.5P51 E161 L234 W241 Q243P51-F163 HydrophobicContact CB-CE1 3.8Å; P51-F163 HydrophobicContact CB-CZ 4.17Å; E161-F163 HydrophobicContact CB-CE1 4.16Å; E161-F163 HydrophobicContact CB-CE2 4.12Å; E161-F163 HydrophobicContact CB-CZ 3.7Å; E161-F163 VanDerWaalsContact CD-CE1 3.41Å; E161-F163 HydrophobicContact CG-CD1 4.23Å; E161-F163 HydrophobicContact CG-CE1 3.7Å; E161-F163 HydrophobicContact CG-CE2 4.38Å; E161-F163 HydrophobicContact CG-CZ 3.78Å; E161-F163 WeakPolarHBondContact O-CE2 3.13Å; E161-F163 WeakPolarHBondContact OE1-CE1 3.12Å; F163-L234 HydrophobicContact CB-CD2 3.81Å; F163-L234 HydrophobicContact CD1-CD1 4.16Å; F163-L234 HydrophobicContact CD1-CD2 3.69Å; F163-L234 HydrophobicContact CD2-CD1 4.13Å; F163-L234 HydrophobicContact CD2-CD2 3.5Å; F163-L234 VanDerWaalsContact CD2-CD2 3.5Å; F163-L234 HydrophobicContact CD2-CG 4.46Å; F163-L234 HydrophobicContact CE1-CD1 3.69Å; F163-L234 HydrophobicContact CE1-CD2 4.11Å; F163-L234 HydrophobicContact CE2-CD1 3.67Å; F163-L234 HydrophobicContact CE2-CD2 3.95Å; F163-L234 HydrophobicContact CE2-CG 4.45Å; F163-L234 HydrophobicContact CG-CD1 4.35Å; F163-L234 HydrophobicContact CG-CD2 3.34Å; F163-L234 HydrophobicContact CG-CG 4.49Å; F163-L234 HydrophobicContact CZ-CD1 3.42Å; F163-L234 VanDerWaalsContact CZ-CD1 3.42Å; F163-L234 HydrophobicContact CZ-CD2 4.22Å; F163-L234 HydrophobicContact CZ-CG 4.48Å; F163-W241 HydrophobicContact CD1-CB 4.1Å; F163-W241 HydrophobicContact CE1-CB 4.23Å; F163-Q243 HydrophobicContact CB-CB 3.85Å
164P93.2Very high86.6Confident43 Ų4357 Ų5728%0.27933%0.329SS..PPolyproline II helixtrans-63.2148.5173.629.2-35000110.3W241 T242 Q243P164-W241 WeakPolarHBondContact CD-O 3.09Å; P164-T242 VanDerWaalsContact O-CG2 3.29Å; P164-T242 WeakPolarHBondContact O-CG2 3.34Å; P164-Q243 PolarHBondContact O-N 3.3Å
165L94.6Very high86.7Confident11 Ų1159.1 Ų59.16%0.05836%0.356CS..PPolyproline II helixtrans-80.2150.6165.1-57.2-173.1000109.8Y75 Q243 L276 E277 D278 V281Y75-L165 HydrophobicContact CD2-CD1 3.94Å; Y75-L165 HydrophobicContact CD2-CG 4.15Å; Y75-L165 HydrophobicContact CE2-CD1 3.7Å; Y75-L165 HydrophobicContact CE2-CG 4.01Å; L165-Q243 HydrophobicContact CD2-CB 4.17Å; L165-Q243 HydrophobicContact CD2-CG 4.23Å; L165-L276 HydrophobicContact CD2-CB 4.25Å; L165-L276 HydrophobicContact CD2-CD1 3.82Å; L165-E277 WeakPolarHBondContact CD1-O 3.4Å; L165-D278 HydrophobicContact CB-CB 4.28Å; L165-V281 HydrophobicContact CD1-CG2 3.99Å
166P94.3Very high87.1Confident4 Ų456.3 Ų56.33%0.02635%0.345CS..PPolyproline II helixtrans-70.8153.8176.133.7-38.5000110.5T242 Q243 F244 L276 E277 D278P166-T242 HydrophobicContact CB-CG2 4.02Å; P166-Q243 WeakPolarHBondContact CD-O 3.29Å; P166-F244 HydrophobicContact CB-CD1 3.79Å; P166-F244 HydrophobicContact CB-CE1 3.59Å; P166-F244 HydrophobicContact CB-CZ 4.16Å; P166-F244 HydrophobicContact CG-CD1 3.78Å; P166-F244 HydrophobicContact CG-CE1 4.12Å; P166-F244 HydrophobicContact CG-CG 4.35Å; P166-L276 WeakPolarHBondContact CG-O 3.42Å; P166-E277 CarbonylContact O-C 3.5Å; P166-D278 WeakPolarHBondContact O-CB 3.39Å; P166-D278 PolarHBondContact O-N 2.82Å
167Y91.3Very high87.9Confident126 Ų12656 Ų5649%0.49435%0.346SS..PPolyproline II helixtrans-64.2149.3168.1-62.1-80.7000110.1R78 S169 T170 D278R78-Y167 VanDerWaalsContact NH2-CZ 3.25Å; R78-Y167 PolarHBondContact NH2-OH 3.42Å; Y167-S169 PolarHBondContact O-N 2.84Å; Y167-T170 WeakPolarHBondContact O-CB 3.3Å; Y167-T170 PolarHBondContact O-N 3.09Å; Y167-D278 WeakPolarHBondContact CD1-OD2 3.47Å
168S85.3Confident89.2Confident59 Ų5953.3 Ų53.341%0.41333%0.33SS..THydrogen-bonded Turntrans-52.8-20.4-177.2-43.80000116E277 D278 D279S168-E277 WeakPolarHBondContact CB-OE2 3.48Å; S168-D278 PolarHBondContact N-OD1 3.06Å; S168-D279 PolarHBondContact OG-OD1 3.38Å
169S82.1Confident90.7Very high114 Ų11445.4 Ų45.480%0.79729%0.292SS*.THydrogen-bonded Turntrans-95.1-2.1176.160.50000114.6Y167Y167-S169 PolarHBondContact O-N 2.84Å
170T91.5Very high91.9Very high46 Ų4643.2 Ų43.228%0.28227%0.269SS..  trans-104.8112.6-174.7-51.20000109.8Y167 F244Y167-T170 WeakPolarHBondContact O-CB 3.3Å; Y167-T170 PolarHBondContact O-N 3.09Å; T170-F244 HydrophobicContact CG2-CE1 3.9Å; T170-F244 HydrophobicContact CG2-CZ 3.97Å
171S93.8Very high92.6Very high59 Ų5942.8 Ų42.841%0.41327%0.266SS..  trans-107.5147.6174.9-73.10000111.7Y216S171-Y216 VanDerWaalsContact CA-OH 3.31Å; S171-Y216 WeakPolarHBondContact CA-OH 3.2Å; S171-Y216 WeakPolarHBondContact CB-OH 3.42Å
172A96.3Very high93Very high10 Ų1039.2 Ų39.28%0.08325%0.25CS..  trans-67.9143.3168.700000109.6M176 L196 Y216 F244A172-M176 HydrophobicContact CB-SD 4.22Å; A172-L196 HydrophobicContact CB-CD1 3.63Å; A172-Y216 HydrophobicContact CB-CD1 4.43Å; A172-Y216 HydrophobicContact CB-CE1 3.9Å; A172-Y216 HydrophobicContact CB-CE2 4.23Å; A172-Y216 PolarHBondContact N-OH 2.94Å; A172-Y216 WeakPolarHBondContact O-CE1 3.49Å; A172-F244 HydrophobicContact CB-CB 3.96Å; A172-F244 HydrophobicContact CB-CD1 3.73Å; A172-F244 HydrophobicContact CB-CD2 4.25Å; A172-F244 HydrophobicContact CB-CE1 4.22Å; A172-F244 HydrophobicContact CB-CG 3.72Å; A172-F244 VanDerWaalsContact N-CD1 3.33Å
173T95.1Very high93.2Very high75 Ų7538.1 Ų38.146%0.4624%0.243SC..  trans-118.4156.7178.1690000110.5G175 M176T173-G175 PolarHBondContact O-N 3.08Å; T173-M176 HydrophobicContact CG2-CE 4.46Å; T173-M176 PolarHBondContact N-SD 2.99Å; T173-M176 WeakPolarHBondContact O-CB 3.49Å; T173-M176 PolarHBondContact O-N 3.14Å
174S93.6Very high93.2Very high55 Ų5538.1 Ų38.139%0.38524%0.243SC..THydrogen-bonded Turntrans-58.9-15.6179.750.40000115.2L196S174-L196 VanDerWaalsContact CA-O 3.32Å; S174-L196 WeakPolarHBondContact CA-O 3.47Å; S174-L196 WeakPolarHBondContact CB-O 3.45Å
175G93.2Very high92.9Very high69 Ų6942.4 Ų42.471%0.71126%0.259SS*.THydrogen-bonded Turntrans-91.5-7.6177.400000114.2T173T173-G175 PolarHBondContact O-N 3.08Å
176M95.7Very high92.6Very high41 Ų4144.8 Ų44.820%0.20227%0.27CS..SBendtrans-77.8137.4179.1-70.2175.217500110.8A172 T173 C178 C235 F244A172-M176 HydrophobicContact CB-SD 4.22Å; T173-M176 HydrophobicContact CG2-CE 4.46Å; T173-M176 PolarHBondContact N-SD 2.99Å; T173-M176 WeakPolarHBondContact O-CB 3.49Å; T173-M176 PolarHBondContact O-N 3.14Å; M176-C178 PolarHBondContact O-N 2.8Å; M176-C178 PolarHBondContact O-SG 2.93Å; M176-C235 HydrophobicContact CB-CB 4.26Å; M176-C235 HydrophobicContact SD-CB 4.42Å; M176-F244 HydrophobicContact SD-CZ 4.5Å
177P95.6Very high92.3Very high48 Ų4844.9 Ų44.931%0.31227%0.272SS..  trans-63.6119166.1-17.130.2000109.2C235 E236 W241P177-C235 VanDerWaalsContact O-CA 3.31Å; P177-C235 WeakPolarHBondContact O-CA 3.23Å; P177-E236 HydrophobicContact CG-CB 4.42Å; P177-E236 PolarHBondContact O-N 3.16Å; P177-W241 HydrophobicContact CB-CH2 4.4Å
178C97.3Very high92.2Very high0 Ų042.4 Ų42.40%027%0.265CS..EExtended strand (participates in β ladder)trans-127.4142.2-179-61.30000111.8M176 H193 Y194 L196 L233 L234 C235M176-C178 PolarHBondContact O-N 2.8Å; M176-C178 PolarHBondContact O-SG 2.93Å; C178-H193 PolarHBondContact O-CD2 3.34Å; C178-Y194 PolarHBondContact O-N 3.38Å; C178-L196 HydrophobicContact CB-CD1 4.45Å; C178-L196 HydrophobicContact CB-CG 4.19Å; C178-L196 WeakPolarHBondContact SG-CD1 3.5Å; C178-L233 HydrophobicContact CB-CD1 3.98Å; C178-L234 CarbonylContact C-O 3.53Å; C178-L234 WeakPolarHBondContact CA-O 3.5Å; C178-C235 HydrophobicContact CB-CB 4.16Å; C178-C235 WeakPolarHBondContact CB-SG 3.23Å; C178-C235 WeakPolarHBondContact SG-CB 3.47Å; C178-C235 CovalentContact SG-SG 2.05Å; C178-C235 PolarHBondContact SG-SG 3.48Å
179Y96.8Very high92.5Very high32 Ų3239.9 Ų39.913%0.12525%0.248CC..EExtended strand (participates in β ladder)trans-133.9144.3179.3-67.1-93.4000110.8L50 R191 I192 H193 L234 W241L50-Y179 HydrophobicContact CD2-CE1 4.46Å; L50-Y179 HydrophobicContact CD2-CE2 4.15Å; Y179-R191 HydrophobicContact CD1-CB 4.23Å; Y179-I192 CarbonylContact C-O 3.53Å; Y179-I192 WeakPolarHBondContact CA-O 3.37Å; Y179-H193 HydrophobicContact CD1-CB 4.12Å; Y179-H193 HydrophobicContact CE1-CB 3.76Å; Y179-L234 PolarHBondContact N-O 2.99Å; Y179-L234 PolarHBondContact O-N 2.57Å; Y179-W241 AromaticContact CD2-CH2 3.79Å; Y179-W241 HydrophobicContact CD2-CH2 3.79Å; Y179-W241 AromaticContact CD2-CZ3 3.79Å; Y179-W241 HydrophobicContact CD2-CZ3 3.79Å; Y179-W241 AromaticContact CE2-CH2 3.78Å; Y179-W241 HydrophobicContact CE2-CH2 3.78Å; Y179-W241 HydrophobicContact CE2-CZ3 4.23Å
180V96.4Very high93Very high0 Ų034.5 Ų34.50%021%0.21CC..EExtended strand (participates in β ladder)trans-98.7122.7165.9178.70000108.3R191 I192 Y194 L225 S231 P232 L233 Y247 F273V180-R191 WeakPolarHBondContact O-CA 2.98Å; V180-I192 PolarHBondContact N-O 2.84Å; V180-I192 PolarHBondContact O-N 2.75Å; V180-Y194 HydrophobicContact CB-CD2 3.91Å; V180-Y194 HydrophobicContact CB-CE2 3.8Å; V180-Y194 HydrophobicContact CG2-CD2 3.35Å; V180-Y194 HydrophobicContact CG2-CE2 3.48Å; V180-Y194 VanDerWaalsContact CG2-CE2 3.48Å; V180-Y194 HydrophobicContact CG2-CG 4.02Å; V180-L225 HydrophobicContact CB-CD1 3.99Å; V180-L225 HydrophobicContact CG1-CD1 3.58Å; V180-S231 VanDerWaalsContact CG1-CB 3.46Å; V180-P232 WeakPolarHBondContact CA-O 3.24Å; V180-L233 HydrophobicContact CG2-CD1 4.24Å; V180-Y247 HydrophobicContact CG1-CD2 4.32Å; V180-Y247 HydrophobicContact CG2-CD2 4.45Å; V180-F273 HydrophobicContact CG2-CE1 3.42Å; V180-F273 VanDerWaalsContact CG2-CE1 3.42Å; V180-F273 HydrophobicContact CG2-CZ 3.72Å
181S94.1Very high93Very high0 Ų032.3 Ų32.30%020%0.197CC..EExtended strand (participates in β ladder)trans-94.4135.5179.4-163.50000110.7G52 S54 S231 P232G52-S181 PolarHBondContact O-OG 2.83Å; S54-S181 PolarHBondContact N-OG 2.86Å; S181-S231 VanDerWaalsContact O-CB 3.23Å; S181-S231 WeakPolarHBondContact O-CB 3.49Å; S181-S231 PolarHBondContact O-OG 2.94Å; S181-P232 PolarHBondContact N-O 3.18Å
182G93.4Very high93Very high2 Ų229.6 Ų29.62%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-174.1-150.4177.400000111.1P189 V190G182-P189 WeakPolarHBondContact O-CA 3.34Å; G182-V190 PolarHBondContact N-O 2.87Å; G182-V190 PolarHBondContact O-N 2.88Å; G182-V190 VanDerWaalsContact O-O 3.11Å
183V91.3Very high92.9Very high3 Ų333.7 Ų33.72%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-126.9155.9178.8-64.40000111H57 L109 M188 L225 Q226H57-V183 WeakPolarHBondContact CE1-CG1 3.26Å; H57-V183 VanDerWaalsContact CE1-CG2 3.43Å; H57-V183 WeakPolarHBondContact CE1-CG2 2.81Å; H57-V183 WeakPolarHBondContact NE2-CG1 3.38Å; L109-V183 HydrophobicContact CB-CG1 4.2Å; L109-V183 HydrophobicContact CB-CG2 4.24Å; L109-V183 HydrophobicContact CD2-CG2 3.94Å; V183-M188 WeakPolarHBondContact CA-O 3.18Å; V183-L225 CarbonylContact O-C 3.51Å; V183-L225 WeakPolarHBondContact O-CA 3.12Å; V183-Q226 HydrophobicContact CG2-CB 4.32Å; V183-Q226 PolarHBondContact O-N 3.31Å
184C91.4Very high92.9Very high4 Ų430.1 Ų30.13%0.02717%0.173CC..  trans-96.8-177.9171.766.50000112.9C34 H186 G187 M188 V190 I224C34-C184 HydrophobicContact CB-CB 3.88Å; C34-C184 WeakPolarHBondContact CB-SG 3.22Å; C34-C184 WeakPolarHBondContact SG-CB 3.36Å; C34-C184 CovalentContact SG-SG 2.01Å; C34-C184 PolarHBondContact SG-SG 2.89Å; C184-H186 PolarHBondContact O-N 3.45Å; C184-G187 PolarHBondContact O-N 2.86Å; C184-M188 PolarHBondContact N-O 2.93Å; C184-V190 HydrophobicContact CB-CG1 3.96Å; C184-V190 HydrophobicContact CB-CG2 4.11Å; C184-I224 VanDerWaalsContact CA-O 3.23Å; C184-I224 WeakPolarHBondContact CA-O 3.35Å; C184-I224 VanDerWaalsContact CB-O 3.28Å; C184-I224 WeakPolarHBondContact CB-O 3.08Å
185E88.4Confident93Very high132 Ų13233.1 Ų33.162%0.61718%0.181SC*.THydrogen-bonded Turntrans-53.7-25.3178.369.5-177.6161.100112.7G187 Q226E185-G187 VanDerWaalsContact C-N 3.33Å; E185-Q226 HydrophobicContact CB-CG 4.33Å
186H88.3Confident93.2Very high62 Ų6230 Ų3029%0.28715%0.148SC..THydrogen-bonded Turntrans-85-1.8-179.8-64.6119.5000114.5C34 R111 C184 M188C34-H186 VanDerWaalsContact CB-ND1 3.29Å; C34-H186 WeakPolarHBondContact CB-ND1 3.48Å; C34-H186 PolarHBondContact O-CE1 2.66Å; C34-H186 PolarHBondContact O-ND1 2.94Å; C34-H186 VanDerWaalsContact O-ND1 3.07Å; R111-H186 VanDerWaalsContact CZ-CA 3.4Å; R111-H186 VanDerWaalsContact NE-C 3.29Å; R111-H186 PolarHBondContact NE-O 2.9Å; R111-H186 PolarHBondContact NH2-CD2 3.35Å; R111-H186 PolarHBondContact NH2-O 2.9Å; C184-H186 PolarHBondContact O-N 3.45Å; H186-M188 HydrophobicContact CB-CG 4.24Å; H186-M188 PolarHBondContact O-N 2.87Å
187G86.8Confident93.3Very high6 Ų629 Ų296%0.06214%0.143CC..SBendtrans76.44.7-176.300000114.4L108 L109 C184 E185L108-G187 WeakPolarHBondContact CA-O 3.46Å; L109-G187 PolarHBondContact N-O 3.14Å; L109-G187 WeakPolarHBondContact O-CA 3.45Å; C184-G187 PolarHBondContact O-N 2.86Å; E185-G187 VanDerWaalsContact C-N 3.33Å
188M90.1Very high93.3Very high73 Ų7328.9 Ų28.936%0.3614%0.141SC..  trans-84143179.8-58.6-56.7-6500110.8L108 V183 C184 H186 V190L108-M188 HydrophobicContact CD2-CE 3.63Å; L108-M188 HydrophobicContact CD2-SD 3.54Å; L108-M188 VanDerWaalsContact CD2-SD 3.54Å; V183-M188 WeakPolarHBondContact CA-O 3.18Å; C184-M188 PolarHBondContact N-O 2.93Å; H186-M188 HydrophobicContact CB-CG 4.24Å; H186-M188 PolarHBondContact O-N 2.87Å; M188-V190 PolarHBondContact O-N 3.47Å
189P90.7Very high93.2Very high6 Ų632.3 Ų32.34%0.03916%0.164CC..EExtended strand (participates in β ladder)trans-66.1128.3174.428-34.7000110.1L29 A53 A107 G182L29-P189 HydrophobicContact CD2-CB 4.12Å; L29-P189 HydrophobicContact CD2-CG 4.33Å; A53-P189 HydrophobicContact CB-CB 3.65Å; A53-P189 HydrophobicContact CB-CG 4.48Å; A107-P189 WeakPolarHBondContact O-CD 3.28Å; G182-P189 WeakPolarHBondContact O-CA 3.34Å
190V92.5Very high93.2Very high1 Ų135.3 Ų35.31%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-132.2158.4177.4-66.10000109.9C34 G182 C184 M188 I224 L225C34-V190 WeakPolarHBondContact SG-CG1 3.3Å; G182-V190 PolarHBondContact N-O 2.87Å; G182-V190 PolarHBondContact O-N 2.88Å; G182-V190 VanDerWaalsContact O-O 3.11Å; C184-V190 HydrophobicContact CB-CG1 3.96Å; C184-V190 HydrophobicContact CB-CG2 4.11Å; M188-V190 PolarHBondContact O-N 3.47Å; V190-I224 HydrophobicContact CG2-CG2 4.3Å; V190-L225 HydrophobicContact CG2-CD2 3.68Å
191R91.7Very high93.2Very high1 Ų138.9 Ų38.90%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-140.6128.5174.1-15.8111.283.587.872.9110.2L29 P51 G52 Y179 V180L29-R191 VanDerWaalsContact CD1-NH1 3.34Å; P51-R191 VanDerWaalsContact C-CZ 3.46Å; P51-R191 VanDerWaalsContact N-NH2 3.16Å; P51-R191 PolarHBondContact O-NH1 2.93Å; P51-R191 PolarHBondContact O-NH2 2.99Å; G52-R191 PolarHBondContact O-NH2 2.93Å; Y179-R191 HydrophobicContact CD1-CB 4.23Å; V180-R191 WeakPolarHBondContact O-CA 2.98Å
192I93.4Very high93.2Very high2 Ų238.9 Ų38.91%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-105.5126.8-171.8-53.4-50.6000107.6Y179 V180 Y194 Q221 I224 L225Y179-I192 CarbonylContact C-O 3.53Å; Y179-I192 WeakPolarHBondContact CA-O 3.37Å; V180-I192 PolarHBondContact N-O 2.84Å; V180-I192 PolarHBondContact O-N 2.75Å; I192-Y194 HydrophobicContact CB-CD2 4.4Å; I192-Y194 HydrophobicContact CB-CE2 4.01Å; I192-Y194 HydrophobicContact CG2-CD2 4.27Å; I192-Y194 HydrophobicContact CG2-CE2 3.86Å; I192-Y194 WeakPolarHBondContact O-CD2 3.28Å; I192-Y194 PolarHBondContact O-N 2.76Å; I192-Q221 HydrophobicContact CG2-CB 3.9Å; I192-I224 HydrophobicContact CD1-CB 3.76Å; I192-I224 HydrophobicContact CD1-CD1 3.8Å; I192-I224 HydrophobicContact CD1-CG1 4.39Å; I192-I224 HydrophobicContact CD1-CG2 3.53Å; I192-I224 HydrophobicContact CG1-CB 4.3Å; I192-I224 HydrophobicContact CG1-CG2 4.42Å; I192-L225 HydrophobicContact CB-CD1 4.25Å; I192-L225 HydrophobicContact CG1-CD1 3.78Å; I192-L225 HydrophobicContact CG1-CD2 4.25Å; I192-L225 HydrophobicContact CG1-CG 3.68Å
193H94.6Very high93.2Very high95 Ų9541 Ų4144%0.4422%0.22SC..EExtended strand (participates in β ladder)trans-65.5131.1174176.3-100.3000109.7C178 Y179C178-H193 PolarHBondContact O-CD2 3.34Å; Y179-H193 HydrophobicContact CD1-CB 4.12Å; Y179-H193 HydrophobicContact CE1-CB 3.76Å
194Y95.8Very high93.3Very high0 Ų047.5 Ų47.50%025%0.25CC..EExtended strand (participates in β ladder)trans-118.8120.6172.7-87.8-98.5000109.5C178 V180 I192 L196 V219 E269 A271 F273C178-Y194 PolarHBondContact O-N 3.38Å; V180-Y194 HydrophobicContact CB-CD2 3.91Å; V180-Y194 HydrophobicContact CB-CE2 3.8Å; V180-Y194 HydrophobicContact CG2-CD2 3.35Å; V180-Y194 HydrophobicContact CG2-CE2 3.48Å; V180-Y194 VanDerWaalsContact CG2-CE2 3.48Å; V180-Y194 HydrophobicContact CG2-CG 4.02Å; I192-Y194 HydrophobicContact CB-CD2 4.4Å; I192-Y194 HydrophobicContact CB-CE2 4.01Å; I192-Y194 HydrophobicContact CG2-CD2 4.27Å; I192-Y194 HydrophobicContact CG2-CE2 3.86Å; I192-Y194 WeakPolarHBondContact O-CD2 3.28Å; I192-Y194 PolarHBondContact O-N 2.76Å; Y194-L196 PolarHBondContact O-N 2.71Å; Y194-V219 WeakPolarHBondContact CA-O 3.3Å; Y194-E269 PolarHBondContact OH-OE1 3.34Å; Y194-A271 HydrophobicContact CD1-CB 4.34Å; Y194-A271 HydrophobicContact CE1-CB 3.56Å; Y194-F273 AromaticContact CD1-CE2 3.98Å; Y194-F273 HydrophobicContact CD1-CE2 3.98Å; Y194-F273 AromaticContact CD1-CZ 3.61Å; Y194-F273 HydrophobicContact CD1-CZ 3.61Å; Y194-F273 HydrophobicContact CD2-CZ 4.48Å; Y194-F273 HydrophobicContact CE1-CE2 4.41Å; Y194-F273 AromaticContact CE1-CZ 3.84Å; Y194-F273 HydrophobicContact CE1-CZ 3.84Å; Y194-F273 AromaticContact CG-CZ 3.96Å; Y194-F273 HydrophobicContact CG-CZ 3.96Å
195Q96.2Very high93.2Very high118 Ų11850 Ų5055%0.55126%0.261SS*.EExtended strand (participates in β ladder)trans-77.5106.9167.5-176.5177.318.800108.3G218 V219Q195-G218 CarbonylContact O-C 3.54Å; Q195-G218 WeakPolarHBondContact O-CA 3.43Å; Q195-V219 PolarHBondContact N-O 3.19Å; Q195-V219 PolarHBondContact O-N 3.26Å
196L97.2Very high93.2Very high4 Ų444.6 Ų44.62%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-65.5136.2172.5-70.8-170.8000110.6A172 S174 C178 Y194 L233 F273A172-L196 HydrophobicContact CB-CD1 3.63Å; S174-L196 VanDerWaalsContact CA-O 3.32Å; S174-L196 WeakPolarHBondContact CA-O 3.47Å; S174-L196 WeakPolarHBondContact CB-O 3.45Å; C178-L196 HydrophobicContact CB-CD1 4.45Å; C178-L196 HydrophobicContact CB-CG 4.19Å; C178-L196 WeakPolarHBondContact SG-CD1 3.5Å; Y194-L196 PolarHBondContact O-N 2.71Å; L196-L233 HydrophobicContact CD1-CD2 4.35Å; L196-L233 HydrophobicContact CD2-CD1 4.23Å; L196-L233 HydrophobicContact CD2-CD2 3.97Å; L196-F273 HydrophobicContact CD2-CD2 4.45Å; L196-F273 HydrophobicContact CD2-CE2 4.41Å
197L96.4Very high93.2Very high20 Ų2043.6 Ų43.611%0.10524%0.242CC..PPolyproline II helixtrans-95.9153.8177.2-61-175.1000110.4Q201 C217 V219L197-Q201 HydrophobicContact CB-CB 3.94Å; L197-Q201 HydrophobicContact CD1-CB 4.36Å; L197-C217 PolarHBondContact N-O 3.41Å; L197-V219 HydrophobicContact CD1-CG2 3.83Å; L197-V219 HydrophobicContact CD2-CG2 4.03Å; L197-V219 HydrophobicContact CG-CG2 4.06Å
198T96.7Very high93.1Very high45 Ų4551.7 Ų51.728%0.27628%0.278SS..PPolyproline II helixtrans-67155.9170.761.10000110.6T200 Q201 C202T198-T200 PolarHBondContact O-N 3.08Å; T198-T200 VanDerWaalsContact O-N 3.15Å; T198-Q201 PolarHBondContact O-N 2.83Å; T198-Q201 VanDerWaalsContact OG1-CG 3.3Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.22Å; T198-Q201 PolarHBondContact OG1-N 3.31Å; T198-Q201 PolarHBondContact OG1-OE1 2.7Å; T198-C202 PolarHBondContact O-N 3.19Å; T198-C202 PolarHBondContact O-SG 3.04Å
199P95.4Very high92.7Very high73 Ų7353.8 Ų53.847%0.47429%0.286SS..Hα-helixtrans-51.5-39175-3137.5000113.9C202 A203 Y210 P212P199-C202 PolarHBondContact O-N 3.45Å; P199-A203 WeakPolarHBondContact O-CB 3.27Å; P199-A203 PolarHBondContact O-N 3.13Å; P199-Y210 HydrophobicContact CB-CE1 4.19Å; P199-Y210 WeakPolarHBondContact O-CE1 3.44Å; P199-P212 HydrophobicContact CB-CB 4.09Å
200T96.3Very high92.6Very high95 Ų9554.2 Ų54.258%0.58329%0.286SS*.Hα-helixtrans-62.9-46.1176.5-53.20000111.9T198 A203 Q204T198-T200 PolarHBondContact O-N 3.08Å; T198-T200 VanDerWaalsContact O-N 3.15Å; T200-A203 PolarHBondContact O-N 2.83Å; T200-Q204 VanDerWaalsContact O-CG 3.27Å; T200-Q204 WeakPolarHBondContact O-CG 3.01Å; T200-Q204 PolarHBondContact O-N 3.06Å
201Q95.5Very high92.5Very high75 Ų7556.9 Ų56.935%0.3530%0.3SS..Hα-helixtrans-65.3-41.8176.9-73.2166.1-44.600111.4L197 T198 A203 Q204 H205L197-Q201 HydrophobicContact CB-CB 3.94Å; L197-Q201 HydrophobicContact CD1-CB 4.36Å; T198-Q201 PolarHBondContact O-N 2.83Å; T198-Q201 VanDerWaalsContact OG1-CG 3.3Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.22Å; T198-Q201 PolarHBondContact OG1-N 3.31Å; T198-Q201 PolarHBondContact OG1-OE1 2.7Å; Q201-A203 PolarHBondContact O-N 2.9Å; Q201-Q204 WeakPolarHBondContact O-CB 3.49Å; Q201-Q204 PolarHBondContact O-N 3.07Å; Q201-H205 PolarHBondContact O-CD2 3.36Å; Q201-H205 PolarHBondContact O-N 2.93Å
202C94.1Very high92.5Very high0 Ų059.3 Ų59.30%032%0.317CS..Hα-helixtrans-59-47.3174.9-67.60000111.8T198 P199 Q204 H205 L206 Y210 C217T198-C202 PolarHBondContact O-N 3.19Å; T198-C202 PolarHBondContact O-SG 3.04Å; P199-C202 PolarHBondContact O-N 3.45Å; C202-Q204 VanDerWaalsContact C-N 3.32Å; C202-Q204 PolarHBondContact O-N 3.24Å; C202-H205 PolarHBondContact O-N 3.27Å; C202-H205 VanDerWaalsContact O-N 3.15Å; C202-L206 WeakPolarHBondContact O-CB 3.49Å; C202-L206 PolarHBondContact O-N 3.37Å; C202-Y210 HydrophobicContact CB-CD1 3.51Å; C202-Y210 HydrophobicContact CB-CD2 3.68Å; C202-Y210 HydrophobicContact CB-CE1 3.36Å; C202-Y210 HydrophobicContact CB-CE2 3.55Å; C202-Y210 HydrophobicContact CB-CG 3.65Å; C202-C217 WeakPolarHBondContact CA-SG 3.36Å; C202-C217 HydrophobicContact CB-CB 3.97Å; C202-C217 WeakPolarHBondContact CB-SG 3.38Å; C202-C217 WeakPolarHBondContact SG-CB 3.33Å; C202-C217 CovalentContact SG-SG 2.02Å; C202-C217 PolarHBondContact SG-SG 2.9Å
203A93.5Very high92.3Very high46 Ų4666 Ų6638%0.3835%0.352SS..Hα-helixtrans-61.4-38.5176.600000112.3P199 T200 Q201 H205 G207 Y210P199-A203 WeakPolarHBondContact O-CB 3.27Å; P199-A203 PolarHBondContact O-N 3.13Å; T200-A203 PolarHBondContact O-N 2.83Å; Q201-A203 PolarHBondContact O-N 2.9Å; A203-H205 VanDerWaalsContact C-N 3.32Å; A203-H205 PolarHBondContact O-N 2.84Å; A203-G207 VanDerWaalsContact O-CA 3.25Å; A203-G207 WeakPolarHBondContact O-CA 3.37Å; A203-G207 PolarHBondContact O-N 3.08Å; A203-Y210 HydrophobicContact CB-CD1 4.22Å
204Q93.7Very high92Very high139 Ų13962.1 Ų62.165%0.6534%0.335SS*.Hα-helixtrans-62.4-38.7174.3-73.8169.6-8.500112.5T200 Q201 C202T200-Q204 VanDerWaalsContact O-CG 3.27Å; T200-Q204 WeakPolarHBondContact O-CG 3.01Å; T200-Q204 PolarHBondContact O-N 3.06Å; Q201-Q204 WeakPolarHBondContact O-CB 3.49Å; Q201-Q204 PolarHBondContact O-N 3.07Å; C202-Q204 VanDerWaalsContact C-N 3.32Å; C202-Q204 PolarHBondContact O-N 3.24Å
205H90.2Very high91.9Very high56 Ų5662.1 Ų62.126%0.25934%0.335SS..Hα-helixtrans-82.1-32.9-178-74.4-61.7000114.1Q201 C202 A203 R253 I270Q201-H205 PolarHBondContact O-CD2 3.36Å; Q201-H205 PolarHBondContact O-N 2.93Å; C202-H205 PolarHBondContact O-N 3.27Å; C202-H205 VanDerWaalsContact O-N 3.15Å; A203-H205 VanDerWaalsContact C-N 3.32Å; A203-H205 PolarHBondContact O-N 2.84Å; H205-R253 PolarHBondContact O-NH1 2.92Å; H205-I270 HydrophobicContact CB-CD1 3.67Å
206L88.5Confident91.9Very high20 Ų2057.4 Ų57.411%0.10531%0.312CS..Hα-helixtrans-117.2-13.8-167.5-59.8179.1000113.8C202 K209 Y210 C217 F251 I270 L272C202-L206 WeakPolarHBondContact O-CB 3.49Å; C202-L206 PolarHBondContact O-N 3.37Å; L206-K209 PolarHBondContact O-N 3.16Å; L206-Y210 HydrophobicContact CD1-CD2 4.4Å; L206-C217 HydrophobicContact CD1-CB 4.04Å; L206-F251 HydrophobicContact CD1-CE2 4.32Å; L206-F251 HydrophobicContact CD2-CD2 3.33Å; L206-F251 HydrophobicContact CD2-CE2 3.6Å; L206-F251 HydrophobicContact CD2-CG 4.01Å; L206-F251 HydrophobicContact CD2-CZ 4.49Å; L206-I270 HydrophobicContact CD1-CG2 4.34Å; L206-I270 HydrophobicContact CD2-CG2 4.23Å; L206-I270 HydrophobicContact CG-CG2 4.48Å; L206-L272 HydrophobicContact CD1-CD1 4.38Å; L206-L272 HydrophobicContact CD1-CD2 3.47Å; L206-L272 VanDerWaalsContact CD1-CD2 3.47Å; L206-L272 HydrophobicContact CD1-CG 3.95Å
207G87.8Confident91.8Very high40 Ų4057.2 Ų57.241%0.41231%0.312SS..G310 helixtrans59.2-140.1-177.800000112.1A203 K209 Y210A203-G207 VanDerWaalsContact O-CA 3.25Å; A203-G207 WeakPolarHBondContact O-CA 3.37Å; A203-G207 PolarHBondContact O-N 3.08Å; G207-K209 PolarHBondContact O-N 3.45Å; G207-K209 VanDerWaalsContact O-N 3.1Å; G207-Y210 PolarHBondContact O-N 2.78Å; G207-Y210 VanDerWaalsContact O-N 3.09Å
208E84.3Confident91.8Very high176 Ų17656.3 Ų56.382%0.82231%0.307SS*.G310 helixtrans-62.4-16.8-177.7-61.8-179.2160.100114Y210E208-Y210 PolarHBondContact O-N 2.61Å
209K82Confident91.7Very high117 Ų11754.8 Ų54.851%0.50930%0.298SS..G310 helixtrans-72-16.1176.1-59.8-176.6179.7-176.60113.1L206 G207 F251L206-K209 PolarHBondContact O-N 3.16Å; G207-K209 PolarHBondContact O-N 3.45Å; G207-K209 VanDerWaalsContact O-N 3.1Å; K209-F251 HydrophobicContact CD-CE1 4.17Å; K209-F251 HydrophobicContact CD-CZ 4.25Å
210Y89Confident91.5Very high15 Ų1551.6 Ų51.66%0.05928%0.278CS..  trans-96.6124.9178.1173.1-109.3000111.2P199 C202 A203 L206 G207 E208 P212 M215 C217 L272P199-Y210 HydrophobicContact CB-CE1 4.19Å; P199-Y210 WeakPolarHBondContact O-CE1 3.44Å; C202-Y210 HydrophobicContact CB-CD1 3.51Å; C202-Y210 HydrophobicContact CB-CD2 3.68Å; C202-Y210 HydrophobicContact CB-CE1 3.36Å; C202-Y210 HydrophobicContact CB-CE2 3.55Å; C202-Y210 HydrophobicContact CB-CG 3.65Å; A203-Y210 HydrophobicContact CB-CD1 4.22Å; L206-Y210 HydrophobicContact CD1-CD2 4.4Å; G207-Y210 PolarHBondContact O-N 2.78Å; G207-Y210 VanDerWaalsContact O-N 3.09Å; E208-Y210 PolarHBondContact O-N 2.61Å; Y210-P212 HydrophobicContact CE1-CB 3.67Å; Y210-P212 HydrophobicContact CE1-CG 4.34Å; Y210-P212 WeakPolarHBondContact OH-CA 2.88Å; Y210-M215 HydrophobicContact CD2-CB 4.1Å; Y210-M215 HydrophobicContact CD2-SD 4.48Å; Y210-M215 HydrophobicContact CE2-CB 3.9Å; Y210-M215 WeakPolarHBondContact CE2-O 3.25Å; Y210-M215 PolarHBondContact OH-O 2.99Å; Y210-C217 HydrophobicContact CE2-CB 4.46Å; Y210-L272 HydrophobicContact CD2-CD2 4.03Å
211L90Very high91.2Very high57 Ų5749.2 Ų49.230%0.29826%0.26SS..  trans-116.7105.8177-67.9-178.9000110.6L140 N213 V214 M215L140-L211 HydrophobicContact CD1-CD1 3.18Å; L140-L211 HydrophobicContact CD2-CD1 4.16Å; L140-L211 HydrophobicContact CG-CD1 4.18Å; L211-N213 PolarHBondContact O-N 2.8Å; L211-N213 VanDerWaalsContact O-N 3.14Å; L211-V214 HydrophobicContact CB-CG2 3.61Å; L211-V214 HydrophobicContact CD1-CG2 4.31Å; L211-V214 PolarHBondContact O-N 3.43Å; L211-V214 VanDerWaalsContact O-N 3.08Å; L211-M215 HydrophobicContact CB-CE 4.21Å; L211-M215 HydrophobicContact CB-CG 4.48Å; L211-M215 HydrophobicContact CG-CE 4.5Å; L211-M215 WeakPolarHBondContact O-CG 3.26Å; L211-M215 PolarHBondContact O-N 2.84Å
212P91.1Very high90.7Very high53 Ų5347.8 Ų47.834%0.34425%0.253SS..THydrogen-bonded Turntrans-66.4-21.5-169.424.9-34.8000114.3P199 Y210 V214 K275P199-P212 HydrophobicContact CB-CB 4.09Å; Y210-P212 HydrophobicContact CE1-CB 3.67Å; Y210-P212 HydrophobicContact CE1-CG 4.34Å; Y210-P212 WeakPolarHBondContact OH-CA 2.88Å; P212-V214 VanDerWaalsContact C-N 3.29Å; P212-K275 WeakPolarHBondContact O-CE 2.99Å; P212-K275 PolarHBondContact O-NZ 2.01Å
213N89.4Confident90.2Very high141 Ų14154 Ų5475%0.75428%0.282SS*.THydrogen-bonded Turntrans-76.1-21.5178.9-65.8-18.3000112.3L211L211-N213 PolarHBondContact O-N 2.8Å; L211-N213 VanDerWaalsContact O-N 3.14Å
214V89.3Confident90Very high14 Ų1453 Ų539%0.08527%0.27CS..THydrogen-bonded Turntrans-127-12-165.8-39.80000112.4Y134 L211 P212 K275Y134-V214 HydrophobicContact CD1-CG1 4.43Å; Y134-V214 HydrophobicContact CD2-CG2 4.33Å; Y134-V214 HydrophobicContact CE1-CB 4.18Å; Y134-V214 HydrophobicContact CE1-CG1 3.5Å; Y134-V214 HydrophobicContact CE2-CB 3.57Å; Y134-V214 HydrophobicContact CE2-CG1 3.88Å; Y134-V214 HydrophobicContact CE2-CG2 3.84Å; Y134-V214 VanDerWaalsContact CZ-CB 3.4Å; Y134-V214 VanDerWaalsContact OH-CB 3.23Å; Y134-V214 WeakPolarHBondContact OH-CB 3.36Å; Y134-V214 WeakPolarHBondContact OH-CG1 3.21Å; L211-V214 HydrophobicContact CB-CG2 3.61Å; L211-V214 HydrophobicContact CD1-CG2 4.31Å; L211-V214 PolarHBondContact O-N 3.43Å; L211-V214 VanDerWaalsContact O-N 3.08Å; P212-V214 VanDerWaalsContact C-N 3.29Å; V214-K275 PolarHBondContact O-N 2.94Å
215M92.6Very high89.9Confident1 Ų147.2 Ų47.21%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-129.9144.8-177.9-43.8-173.1-176.100113.3L140 M143 Y210 L211 L272 F273 K275L140-M215 HydrophobicContact CD2-CE 3.06Å; L140-M215 HydrophobicContact CG-CE 4.45Å; M143-M215 HydrophobicContact CE-CB 4.39Å; M143-M215 HydrophobicContact CE-CE 4.04Å; M143-M215 HydrophobicContact CE-CG 3.63Å; M143-M215 HydrophobicContact CE-SD 4Å; M143-M215 HydrophobicContact SD-CE 3.3Å; M143-M215 WeakPolarHBondContact SD-CE 3.2Å; M143-M215 HydrophobicContact SD-CG 4.18Å; M143-M215 HydrophobicContact SD-SD 3.9Å; Y210-M215 HydrophobicContact CD2-CB 4.1Å; Y210-M215 HydrophobicContact CD2-SD 4.48Å; Y210-M215 HydrophobicContact CE2-CB 3.9Å; Y210-M215 WeakPolarHBondContact CE2-O 3.25Å; Y210-M215 PolarHBondContact OH-O 2.99Å; L211-M215 HydrophobicContact CB-CE 4.21Å; L211-M215 HydrophobicContact CB-CG 4.48Å; L211-M215 HydrophobicContact CG-CE 4.5Å; L211-M215 WeakPolarHBondContact O-CG 3.26Å; L211-M215 PolarHBondContact O-N 2.84Å; M215-L272 HydrophobicContact CB-CD2 4.19Å; M215-L272 HydrophobicContact SD-CD1 3.69Å; M215-L272 HydrophobicContact SD-CD2 3.72Å; M215-L272 HydrophobicContact SD-CG 4.26Å; M215-F273 CarbonylContact C-O 3.47Å; M215-F273 WeakPolarHBondContact CA-O 3.47Å; M215-K275 VanDerWaalsContact O-CE 3.3Å; M215-K275 WeakPolarHBondContact O-CE 3.46Å
216Y96.5Very high89.9Confident18 Ų1847.7 Ų47.77%0.07125%0.246CC..EExtended strand (participates in β ladder)trans-96.2157.4150.1-56.3-70.5000109.4S171 A172 L233 F244 F273 K275S171-Y216 VanDerWaalsContact CA-OH 3.31Å; S171-Y216 WeakPolarHBondContact CA-OH 3.2Å; S171-Y216 WeakPolarHBondContact CB-OH 3.42Å; A172-Y216 HydrophobicContact CB-CD1 4.43Å; A172-Y216 HydrophobicContact CB-CE1 3.9Å; A172-Y216 HydrophobicContact CB-CE2 4.23Å; A172-Y216 PolarHBondContact N-OH 2.94Å; A172-Y216 WeakPolarHBondContact O-CE1 3.49Å; Y216-L233 HydrophobicContact CD2-CD2 4.04Å; Y216-L233 HydrophobicContact CG-CD2 4.47Å; Y216-F244 HydrophobicContact CE2-CB 4.1Å; Y216-F244 WeakPolarHBondContact CE2-O 3.44Å; Y216-F273 PolarHBondContact N-O 2.75Å; Y216-F273 PolarHBondContact O-N 3.38Å; Y216-K275 HydrophobicContact CD2-CG 3.74Å; Y216-K275 HydrophobicContact CE1-CD 4.16Å; Y216-K275 HydrophobicContact CE1-CG 4.4Å; Y216-K275 HydrophobicContact CE2-CB 4.07Å; Y216-K275 HydrophobicContact CE2-CD 3.97Å; Y216-K275 HydrophobicContact CE2-CG 3.47Å; Y216-K275 VanDerWaalsContact CE2-CG 3.47Å; Y216-K275 HydrophobicContact CG-CG 4.31Å
217C95.4Very high90.1Very high1 Ų149.9 Ų49.91%0.00726%0.255CS..EExtended strand (participates in β ladder)trans-128.5151.1162900000110L197 C202 L206 Y210 I270 A271 L272L197-C217 PolarHBondContact N-O 3.41Å; C202-C217 WeakPolarHBondContact CA-SG 3.36Å; C202-C217 HydrophobicContact CB-CB 3.97Å; C202-C217 WeakPolarHBondContact CB-SG 3.38Å; C202-C217 WeakPolarHBondContact SG-CB 3.33Å; C202-C217 CovalentContact SG-SG 2.02Å; C202-C217 PolarHBondContact SG-SG 2.9Å; L206-C217 HydrophobicContact CD1-CB 4.04Å; Y210-C217 HydrophobicContact CE2-CB 4.46Å; C217-I270 HydrophobicContact CB-CG2 4.39Å; C217-A271 WeakPolarHBondContact CA-O 3.47Å; C217-L272 HydrophobicContact CB-CD2 3.83Å
218G95.9Very high90.4Very high0 Ų049.2 Ų49.20%024%0.244CC..EExtended strand (participates in β ladder)trans-153.1158.2-179.100000112.6Q195 I270 A271Q195-G218 CarbonylContact O-C 3.54Å; Q195-G218 WeakPolarHBondContact O-CA 3.43Å; G218-I270 WeakPolarHBondContact O-CA 3.35Å; G218-A271 PolarHBondContact N-O 2.84Å; G218-A271 PolarHBondContact O-N 3.03Å
219V94.6Very high90.9Very high14 Ų1443.3 Ų43.39%0.08522%0.217CC..EExtended strand (participates in β ladder)trans-103.4127.4178.2-1730000108.8Y194 Q195 L197 M255 E269 I270Y194-V219 WeakPolarHBondContact CA-O 3.3Å; Q195-V219 PolarHBondContact N-O 3.19Å; Q195-V219 PolarHBondContact O-N 3.26Å; L197-V219 HydrophobicContact CD1-CG2 3.83Å; L197-V219 HydrophobicContact CD2-CG2 4.03Å; L197-V219 HydrophobicContact CG-CG2 4.06Å; V219-M255 HydrophobicContact CB-CE 4.41Å; V219-M255 HydrophobicContact CG1-CE 4.01Å; V219-M255 HydrophobicContact CG1-SD 4.23Å; V219-M255 HydrophobicContact CG2-CE 3.46Å; V219-M255 VanDerWaalsContact CG2-CE 3.46Å; V219-E269 WeakPolarHBondContact CA-O 3.35Å; V219-I270 HydrophobicContact CG2-CG1 4.4Å
220G92.1Very high91.6Very high6 Ų637.8 Ų37.86%0.06219%0.193CC..EExtended strand (participates in β ladder)trans-143.6173.2179.800000112.5R268 E269G220-R268 WeakPolarHBondContact O-CA 3.32Å; G220-E269 PolarHBondContact N-O 3.47Å; G220-E269 PolarHBondContact O-N 3.27Å
221Q89.1Confident92Very high44 Ų4437 Ų3721%0.20619%0.19CC..EExtended strand (participates in β ladder)trans-72.4130.2169.6-70.4170.4-14.400109.3I192 I224 E266I192-Q221 HydrophobicContact CG2-CB 3.9Å; Q221-I224 HydrophobicContact CB-CD1 3.67Å; Q221-I224 HydrophobicContact CG-CD1 4.34Å; Q221-E266 PolarHBondContact NE2-OE2 2.97Å
222K85.1Confident92.3Very high45 Ų4534.3 Ų34.320%0.19618%0.176CC..  trans-88.1164.3177.1-166.5-177.8175.2-140.20110.1I224 N252 P267 E269K222-I224 PolarHBondContact O-N 3.47Å; K222-N252 VanDerWaalsContact CE-OD1 3.23Å; K222-N252 WeakPolarHBondContact CE-OD1 3.31Å; K222-N252 PolarHBondContact NZ-OD1 2.8Å; K222-P267 HydrophobicContact CB-CB 4.08Å; K222-P267 HydrophobicContact CB-CG 4.28Å; K222-P267 VanDerWaalsContact CB-O 3.3Å; K222-P267 WeakPolarHBondContact CB-O 3.33Å; K222-P267 PolarHBondContact N-O 3.41Å; K222-E269 HydrophobicContact CB-CB 4.08Å; K222-E269 HydrophobicContact CB-CG 4.06Å; K222-E269 HydrophobicContact CD-CB 4.15Å; K222-E269 HydrophobicContact CG-CB 4.14Å; K222-E269 HydrophobicContact CG-CG 4.24Å; K222-E269 WeakPolarHBondContact CG-OE2 3.47Å
223E83.9Confident92.6Very high130 Ų13031.8 Ų31.861%0.60716%0.16SC*.SBendtrans66.47.9167.1-77.9153.9-145.500115.4P267E223-P267 HydrophobicContact CB-CG 4.33Å
224I88.8Confident93Very high27 Ų2725.1 Ų25.114%0.13812%0.124CC..SBendtrans-90.8-43.2170.7-56.6171000111.1C184 V190 I192 Q221 K222C184-I224 VanDerWaalsContact CA-O 3.23Å; C184-I224 WeakPolarHBondContact CA-O 3.35Å; C184-I224 VanDerWaalsContact CB-O 3.28Å; C184-I224 WeakPolarHBondContact CB-O 3.08Å; V190-I224 HydrophobicContact CG2-CG2 4.3Å; I192-I224 HydrophobicContact CD1-CB 3.76Å; I192-I224 HydrophobicContact CD1-CD1 3.8Å; I192-I224 HydrophobicContact CD1-CG1 4.39Å; I192-I224 HydrophobicContact CD1-CG2 3.53Å; I192-I224 HydrophobicContact CG1-CB 4.3Å; I192-I224 HydrophobicContact CG1-CG2 4.42Å; Q221-I224 HydrophobicContact CB-CD1 3.67Å; Q221-I224 HydrophobicContact CG-CD1 4.34Å; K222-I224 PolarHBondContact O-N 3.47Å
225L91.5Very high93.4Very high17 Ų1724.4 Ų24.49%0.08912%0.12CC..SBendtrans-80.4134.1179.6-70.3163000111V180 V183 V190 I192 P228V180-L225 HydrophobicContact CB-CD1 3.99Å; V180-L225 HydrophobicContact CG1-CD1 3.58Å; V183-L225 CarbonylContact O-C 3.51Å; V183-L225 WeakPolarHBondContact O-CA 3.12Å; V190-L225 HydrophobicContact CG2-CD2 3.68Å; I192-L225 HydrophobicContact CB-CD1 4.25Å; I192-L225 HydrophobicContact CG1-CD1 3.78Å; I192-L225 HydrophobicContact CG1-CD2 4.25Å; I192-L225 HydrophobicContact CG1-CG 3.68Å; L225-P228 HydrophobicContact CB-CB 3.92Å; L225-P228 HydrophobicContact CD1-CB 4.29Å
226Q90.9Very high93.5Very high66 Ų6626 Ų2631%0.30813%0.127SC..BIsolated β-bridgetrans-96.4135.7168.8-61.8-61.7-46.400109.4V183 E185V183-Q226 HydrophobicContact CG2-CB 4.32Å; V183-Q226 PolarHBondContact O-N 3.31Å; E185-Q226 HydrophobicContact CB-CG 4.33Å
227H92.2Very high93.3Very high65 Ų6526.3 Ų26.330%0.30113%0.132SC..SBendtrans5146.7-179.1-44.298.1000113.4A68 T71 I229A68-H227 PolarHBondContact O-CD2 2.84Å; T71-H227 PolarHBondContact N-O 2.87Å; T71-H227 VanDerWaalsContact N-O 3.17Å; T71-H227 PolarHBondContact OG1-O 2.92Å; H227-I229 PolarHBondContact O-N 2.9Å; H227-I229 VanDerWaalsContact O-N 3.08Å
228P94.8Very high93Very high27 Ų2732.2 Ų32.218%0.17517%0.173CC..  trans-64.9-17.4-171.428-36.7000113.9L225 G230 S231 Y247L225-P228 HydrophobicContact CB-CB 3.92Å; L225-P228 HydrophobicContact CD1-CB 4.29Å; P228-G230 PolarHBondContact O-N 2.81Å; P228-S231 WeakPolarHBondContact O-CB 3.29Å; P228-S231 PolarHBondContact O-N 2.89Å; P228-S231 PolarHBondContact O-OG 2.79Å; P228-Y247 HydrophobicContact CB-CD1 4.04Å; P228-Y247 HydrophobicContact CB-CD2 4.33Å; P228-Y247 HydrophobicContact CB-CE1 3.96Å; P228-Y247 HydrophobicContact CB-CE2 4.24Å; P228-Y247 HydrophobicContact CB-CG 4.24Å; P228-Y247 HydrophobicContact CG-CD1 4.39Å; P228-Y247 HydrophobicContact CG-CE1 3.9Å; P228-Y247 VanDerWaalsContact O-CB 3.3Å; P228-Y247 WeakPolarHBondContact O-CB 3.38Å; P228-Y247 WeakPolarHBondContact O-CD1 3.36Å
229I95.1Very high92.6Very high52 Ų5234.6 Ų34.627%0.26720%0.198SC..THydrogen-bonded Turntrans-54.6129.1174.9-59.8-179000108.6C70 T71 A89 R91 C92 H227 S231 D248C70-I229 VanDerWaalsContact CB-O 3.26Å; C70-I229 WeakPolarHBondContact CB-O 3.15Å; T71-I229 PolarHBondContact N-O 3.39Å; A89-I229 HydrophobicContact CB-CG2 3.93Å; R91-I229 HydrophobicContact CG-CG2 3.65Å; C92-I229 HydrophobicContact CB-CG2 4.43Å; H227-I229 PolarHBondContact O-N 2.9Å; H227-I229 VanDerWaalsContact O-N 3.08Å; I229-S231 VanDerWaalsContact C-N 3.28Å; I229-S231 PolarHBondContact O-N 2.84Å; I229-D248 WeakPolarHBondContact CG1-O 3.35Å
230G96.1Very high92.5Very high0 Ų041.7 Ų41.70%022%0.223CC..THydrogen-bonded Turntrans84.3-7.5-177.200000115T71 T88 P228 Y247T71-G230 CarbonylContact O-C 3.58Å; T71-G230 VanDerWaalsContact O-CA 3.22Å; T71-G230 WeakPolarHBondContact O-CA 3.36Å; T88-G230 WeakPolarHBondContact OG1-CA 3.26Å; P228-G230 PolarHBondContact O-N 2.81Å; G230-Y247 PolarHBondContact N-O 2.97Å
231S96.6Very high92.6Very high0 Ų042.6 Ų42.60%023%0.225CC..  trans-63.4142.1175.2-76.80000112T71 V180 S181 P228 I229 I246 Y247T71-S231 WeakPolarHBondContact CB-OG 3.29Å; T71-S231 WeakPolarHBondContact CG2-OG 3.31Å; V180-S231 VanDerWaalsContact CG1-CB 3.46Å; S181-S231 VanDerWaalsContact O-CB 3.23Å; S181-S231 WeakPolarHBondContact O-CB 3.49Å; S181-S231 PolarHBondContact O-OG 2.94Å; P228-S231 WeakPolarHBondContact O-CB 3.29Å; P228-S231 PolarHBondContact O-N 2.89Å; P228-S231 PolarHBondContact O-OG 2.79Å; I229-S231 VanDerWaalsContact C-N 3.28Å; I229-S231 PolarHBondContact O-N 2.84Å; S231-I246 WeakPolarHBondContact O-CA 3.36Å; S231-Y247 PolarHBondContact O-N 3Å
232P97.4Very high92.9Very high0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-73.5136178.831.1-36.1000111.9T73 V180 S181 L234 Q243T73-P232 HydrophobicContact CG2-CB 3.48Å; T73-P232 VanDerWaalsContact CG2-CB 3.48Å; T73-P232 HydrophobicContact CG2-CG 3.36Å; V180-P232 WeakPolarHBondContact CA-O 3.24Å; S181-P232 PolarHBondContact N-O 3.18Å; P232-L234 HydrophobicContact CB-CD2 3.78Å; P232-L234 HydrophobicContact CB-CG 4.11Å; P232-L234 HydrophobicContact CG-CD1 4.43Å; P232-L234 HydrophobicContact CG-CD2 4.19Å; P232-L234 HydrophobicContact CG-CG 4.19Å; P232-L234 PolarHBondContact O-N 2.75Å; P232-Q243 HydrophobicContact CB-CB 4.49Å; P232-Q243 HydrophobicContact CB-CG 3.76Å
233L97.8Very high93.5Very high0 Ų039.2 Ų39.20%021%0.211CC..EExtended strand (participates in β ladder)trans-84.4104.4161.3176.768.6000108.5C178 V180 L196 Y216 Q243 F244 G245 F273C178-L233 HydrophobicContact CB-CD1 3.98Å; V180-L233 HydrophobicContact CG2-CD1 4.24Å; L196-L233 HydrophobicContact CD1-CD2 4.35Å; L196-L233 HydrophobicContact CD2-CD1 4.23Å; L196-L233 HydrophobicContact CD2-CD2 3.97Å; Y216-L233 HydrophobicContact CD2-CD2 4.04Å; Y216-L233 HydrophobicContact CG-CD2 4.47Å; L233-Q243 WeakPolarHBondContact O-CA 3.33Å; L233-F244 PolarHBondContact O-N 3.07Å; L233-G245 PolarHBondContact N-O 2.91Å; L233-F273 HydrophobicContact CB-CD1 3.72Å; L233-F273 HydrophobicContact CB-CE1 4.13Å; L233-F273 HydrophobicContact CB-CG 4.23Å; L233-F273 HydrophobicContact CD1-CD1 4.24Å; L233-F273 HydrophobicContact CD1-CE1 4.02Å; L233-F273 HydrophobicContact CD1-CE2 4.34Å; L233-F273 HydrophobicContact CD1-CZ 4.07Å; L233-F273 HydrophobicContact CD2-CB 3.98Å; L233-F273 HydrophobicContact CD2-CD1 4.11Å; L233-F273 HydrophobicContact CD2-CD2 4.04Å; L233-F273 HydrophobicContact CD2-CG 3.77Å; L233-F273 HydrophobicContact CG-CD1 4.24Å; L233-F273 HydrophobicContact CG-CE1 4.49Å; L233-F273 HydrophobicContact CG-CG 4.39Å
234L97.3Very high94.1Very high0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-98.2119-178.8-56.3177.4000109.4P51 F163 C178 Y179 P232 W241 T242 Q243P51-L234 HydrophobicContact CB-CD1 3.61Å; P51-L234 HydrophobicContact CG-CB 4.25Å; P51-L234 HydrophobicContact CG-CD1 3.91Å; F163-L234 HydrophobicContact CB-CD2 3.81Å; F163-L234 HydrophobicContact CD1-CD1 4.16Å; F163-L234 HydrophobicContact CD1-CD2 3.69Å; F163-L234 HydrophobicContact CD2-CD1 4.13Å; F163-L234 HydrophobicContact CD2-CD2 3.5Å; F163-L234 VanDerWaalsContact CD2-CD2 3.5Å; F163-L234 HydrophobicContact CD2-CG 4.46Å; F163-L234 HydrophobicContact CE1-CD1 3.69Å; F163-L234 HydrophobicContact CE1-CD2 4.11Å; F163-L234 HydrophobicContact CE2-CD1 3.67Å; F163-L234 HydrophobicContact CE2-CD2 3.95Å; F163-L234 HydrophobicContact CE2-CG 4.45Å; F163-L234 HydrophobicContact CG-CD1 4.35Å; F163-L234 HydrophobicContact CG-CD2 3.34Å; F163-L234 HydrophobicContact CG-CG 4.49Å; F163-L234 HydrophobicContact CZ-CD1 3.42Å; F163-L234 VanDerWaalsContact CZ-CD1 3.42Å; F163-L234 HydrophobicContact CZ-CD2 4.22Å; F163-L234 HydrophobicContact CZ-CG 4.48Å; C178-L234 CarbonylContact C-O 3.53Å; C178-L234 WeakPolarHBondContact CA-O 3.5Å; Y179-L234 PolarHBondContact N-O 2.99Å; Y179-L234 PolarHBondContact O-N 2.57Å; P232-L234 HydrophobicContact CB-CD2 3.78Å; P232-L234 HydrophobicContact CB-CG 4.11Å; P232-L234 HydrophobicContact CG-CD1 4.43Å; P232-L234 HydrophobicContact CG-CD2 4.19Å; P232-L234 HydrophobicContact CG-CG 4.19Å; P232-L234 PolarHBondContact O-N 2.75Å; L234-W241 HydrophobicContact CB-CE3 4.39Å; L234-T242 WeakPolarHBondContact CA-O 3.32Å; L234-Q243 HydrophobicContact CD2-CB 3.96Å
235C97.2Very high94.5Very high0 Ų031.8 Ų31.80%018%0.175CC..EExtended strand (participates in β ladder)trans-118.2143.9174.4-58.30000110.7M176 P177 C178 S237 T242 F244M176-C235 HydrophobicContact CB-CB 4.26Å; M176-C235 HydrophobicContact SD-CB 4.42Å; P177-C235 VanDerWaalsContact O-CA 3.31Å; P177-C235 WeakPolarHBondContact O-CA 3.23Å; C178-C235 HydrophobicContact CB-CB 4.16Å; C178-C235 WeakPolarHBondContact CB-SG 3.23Å; C178-C235 WeakPolarHBondContact SG-CB 3.47Å; C178-C235 CovalentContact SG-SG 2.05Å; C178-C235 PolarHBondContact SG-SG 3.48Å; C235-S237 PolarHBondContact O-N 3.43Å; C235-T242 PolarHBondContact N-O 2.86Å; C235-T242 PolarHBondContact O-N 3.16Å; C235-F244 HydrophobicContact CB-CD2 3.66Å; C235-F244 HydrophobicContact CB-CE2 3.97Å
236E94.7Very high94.7Very high34 Ų3431 Ų3116%0.15917%0.171CC..EExtended strand (participates in β ladder)trans-75.9117.1173.9-171.1174.4-156.700109.4S47 S48 P177 W241S47-E236 VanDerWaalsContact OG-CD 3.27Å; S47-E236 PolarHBondContact OG-OE1 3.03Å; S47-E236 PolarHBondContact OG-OE2 2.8Å; S48-E236 PolarHBondContact OG-OE1 2.86Å; P177-E236 HydrophobicContact CG-CB 4.42Å; P177-E236 PolarHBondContact O-N 3.16Å; E236-W241 HydrophobicContact CB-CD2 4.42Å; E236-W241 HydrophobicContact CB-CE3 4.01Å; E236-W241 HydrophobicContact CB-CH2 3.77Å; E236-W241 HydrophobicContact CB-CZ2 4.18Å; E236-W241 HydrophobicContact CB-CZ3 3.69Å
237S92.5Very high95Very high25 Ų2528.2 Ų28.218%0.17516%0.158CC..EExtended strand (participates in β ladder)trans-130.3117.3176.7179.60000109C235 G239 R240C235-S237 PolarHBondContact O-N 3.43Å; S237-G239 VanDerWaalsContact C-N 3.27Å; S237-G239 PolarHBondContact O-N 3.03Å; S237-R240 PolarHBondContact N-O 3.14Å; S237-R240 PolarHBondContact O-N 3.13Å; S237-R240 VanDerWaalsContact O-N 3.1Å
238S88.7Confident95Very high124 Ų12425.1 Ų25.187%0.86714%0.144SC*.THydrogen-bonded Turntrans52.742.1-179.5-54.20000113.5R240S238-R240 VanDerWaalsContact C-N 3.3Å; S238-R240 PolarHBondContact O-N 3.31Å
239G89.1Confident94.9Very high51 Ų5126 Ų2653%0.52615%0.146SC..THydrogen-bonded Turntrans73.914.6179.300000114.9S237S237-G239 VanDerWaalsContact C-N 3.27Å; S237-G239 PolarHBondContact O-N 3.03Å
240R91.5Very high94.6Very high163 Ų16325.2 Ų25.262%0.61515%0.145SC*.EExtended strand (participates in β ladder)trans-126.4139.9175.9-63.8-179.265.2-175.7-0.3110.5S237 S238S237-R240 PolarHBondContact N-O 3.14Å; S237-R240 PolarHBondContact O-N 3.13Å; S237-R240 VanDerWaalsContact O-N 3.1Å; S238-R240 VanDerWaalsContact C-N 3.3Å; S238-R240 PolarHBondContact O-N 3.31Å
241W94.3Very high93.9Very high24 Ų2427.5 Ų27.59%0.09116%0.155CC..EExtended strand (participates in β ladder)trans-77122.2169.1-64.1106.8000109.9Q49 P51 F163 P164 P177 Y179 L234 E236Q49-W241 PolarHBondContact O-NE1 3.41Å; P51-W241 VanDerWaalsContact CA-CD1 3.49Å; P51-W241 HydrophobicContact CB-CB 3.94Å; P51-W241 HydrophobicContact CB-CD2 3.74Å; P51-W241 HydrophobicContact CB-CE3 4.27Å; P51-W241 HydrophobicContact CB-CG 3.53Å; P51-W241 HydrophobicContact CG-CD2 3.49Å; P51-W241 VanDerWaalsContact CG-CD2 3.49Å; P51-W241 HydrophobicContact CG-CE3 3.64Å; P51-W241 HydrophobicContact CG-CG 3.88Å; P51-W241 HydrophobicContact CG-CH2 4.36Å; P51-W241 HydrophobicContact CG-CZ2 4.26Å; P51-W241 HydrophobicContact CG-CZ3 4.06Å; F163-W241 HydrophobicContact CD1-CB 4.1Å; F163-W241 HydrophobicContact CE1-CB 4.23Å; P164-W241 WeakPolarHBondContact CD-O 3.09Å; P177-W241 HydrophobicContact CB-CH2 4.4Å; Y179-W241 AromaticContact CD2-CH2 3.79Å; Y179-W241 HydrophobicContact CD2-CH2 3.79Å; Y179-W241 AromaticContact CD2-CZ3 3.79Å; Y179-W241 HydrophobicContact CD2-CZ3 3.79Å; Y179-W241 AromaticContact CE2-CH2 3.78Å; Y179-W241 HydrophobicContact CE2-CH2 3.78Å; Y179-W241 HydrophobicContact CE2-CZ3 4.23Å; L234-W241 HydrophobicContact CB-CE3 4.39Å; E236-W241 HydrophobicContact CB-CD2 4.42Å; E236-W241 HydrophobicContact CB-CE3 4.01Å; E236-W241 HydrophobicContact CB-CH2 3.77Å; E236-W241 HydrophobicContact CB-CZ2 4.18Å; E236-W241 HydrophobicContact CB-CZ3 3.69Å
242T95.6Very high92.5Very high15 Ų1533.3 Ų33.39%0.09219%0.186CC..EExtended strand (participates in β ladder)trans-124.4137.8-177.4-610000108.9P164 P166 L234 C235 F244P164-T242 VanDerWaalsContact O-CG2 3.29Å; P164-T242 WeakPolarHBondContact O-CG2 3.34Å; P166-T242 HydrophobicContact CB-CG2 4.02Å; L234-T242 WeakPolarHBondContact CA-O 3.32Å; C235-T242 PolarHBondContact N-O 2.86Å; C235-T242 PolarHBondContact O-N 3.16Å; T242-F244 HydrophobicContact CG2-CD2 3.96Å; T242-F244 HydrophobicContact CG2-CE2 3.76Å; T242-F244 HydrophobicContact CG2-CZ 4.24Å; T242-F244 WeakPolarHBondContact O-CD2 3.23Å; T242-F244 PolarHBondContact O-N 2.89Å
243Q96.7Very high90.5Very high3 Ų340.5 Ų40.51%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-83.594.3176.2177.8179.4-14.100109.5T73 F163 P164 L165 P166 P232 L233 L234 L276T73-Q243 PolarHBondContact OG1-NE2 3.21Å; T73-Q243 VanDerWaalsContact OG1-NE2 3.14Å; T73-Q243 PolarHBondContact OG1-OE1 2.81Å; F163-Q243 HydrophobicContact CB-CB 3.85Å; P164-Q243 PolarHBondContact O-N 3.3Å; L165-Q243 HydrophobicContact CD2-CB 4.17Å; L165-Q243 HydrophobicContact CD2-CG 4.23Å; P166-Q243 WeakPolarHBondContact CD-O 3.29Å; P232-Q243 HydrophobicContact CB-CB 4.49Å; P232-Q243 HydrophobicContact CB-CG 3.76Å; L233-Q243 WeakPolarHBondContact O-CA 3.33Å; L234-Q243 HydrophobicContact CD2-CB 3.96Å; Q243-L276 HydrophobicContact CG-CD1 3.89Å; Q243-L276 VanDerWaalsContact NE2-CD1 3.34Å
244F97.5Very high88Confident1 Ų146.3 Ų46.30%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-81-18.2179.6-82.7-89.5000113.6P166 T170 A172 M176 Y216 L233 C235 T242 L276P166-F244 HydrophobicContact CB-CD1 3.79Å; P166-F244 HydrophobicContact CB-CE1 3.59Å; P166-F244 HydrophobicContact CB-CZ 4.16Å; P166-F244 HydrophobicContact CG-CD1 3.78Å; P166-F244 HydrophobicContact CG-CE1 4.12Å; P166-F244 HydrophobicContact CG-CG 4.35Å; T170-F244 HydrophobicContact CG2-CE1 3.9Å; T170-F244 HydrophobicContact CG2-CZ 3.97Å; A172-F244 HydrophobicContact CB-CB 3.96Å; A172-F244 HydrophobicContact CB-CD1 3.73Å; A172-F244 HydrophobicContact CB-CD2 4.25Å; A172-F244 HydrophobicContact CB-CE1 4.22Å; A172-F244 HydrophobicContact CB-CG 3.72Å; A172-F244 VanDerWaalsContact N-CD1 3.33Å; M176-F244 HydrophobicContact SD-CZ 4.5Å; Y216-F244 HydrophobicContact CE2-CB 4.1Å; Y216-F244 WeakPolarHBondContact CE2-O 3.44Å; L233-F244 PolarHBondContact O-N 3.07Å; C235-F244 HydrophobicContact CB-CD2 3.66Å; C235-F244 HydrophobicContact CB-CE2 3.97Å; T242-F244 HydrophobicContact CG2-CD2 3.96Å; T242-F244 HydrophobicContact CG2-CE2 3.76Å; T242-F244 HydrophobicContact CG2-CZ 4.24Å; T242-F244 WeakPolarHBondContact O-CD2 3.23Å; T242-F244 PolarHBondContact O-N 2.89Å; F244-L276 PolarHBondContact O-N 2.77Å
245G96.7Very high85.7Confident0 Ų048.7 Ų48.70%026%0.262CS..EExtended strand (participates in β ladder)trans-166.1-177.8-17900000114.5L233 M274L233-G245 PolarHBondContact N-O 2.91Å; G245-M274 CarbonylContact C-O 3.47Å; G245-M274 WeakPolarHBondContact CA-O 3.28Å
246I96.3Very high83.2Confident1 Ų152.6 Ų52.61%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-126.6129.1179.7-54.5-178.9000108.1V87 A89 L145 S231 D248 F273 M274 L276V87-I246 HydrophobicContact CG1-CD1 3.38Å; V87-I246 HydrophobicContact CG1-CG1 4.25Å; A89-I246 HydrophobicContact CB-CG2 4.02Å; L145-I246 HydrophobicContact CD1-CD1 3.65Å; S231-I246 WeakPolarHBondContact O-CA 3.36Å; I246-D248 PolarHBondContact O-N 2.61Å; I246-F273 CarbonylContact O-C 3.54Å; I246-F273 WeakPolarHBondContact O-CA 3.48Å; I246-M274 PolarHBondContact N-O 3.38Å; I246-M274 PolarHBondContact O-N 2.7Å; I246-L276 HydrophobicContact CD1-CD1 3.89Å; I246-L276 HydrophobicContact CD1-CD2 3.92Å; I246-L276 HydrophobicContact CD1-CG 4.25Å; I246-L276 HydrophobicContact CG1-CD1 3.48Å; I246-L276 VanDerWaalsContact CG1-CD1 3.48Å; I246-L276 HydrophobicContact CG1-CD2 4.17Å; I246-L276 HydrophobicContact CG1-CG 3.95Å
247Y96.4Very high80.7Confident7 Ų758.7 Ų58.73%0.02733%0.325CS..EExtended strand (participates in β ladder)trans-59.7118.8171.7-173.4-67.9000109.1V180 P228 G230 S231 S250 E269 A271 F273V180-Y247 HydrophobicContact CG1-CD2 4.32Å; V180-Y247 HydrophobicContact CG2-CD2 4.45Å; P228-Y247 HydrophobicContact CB-CD1 4.04Å; P228-Y247 HydrophobicContact CB-CD2 4.33Å; P228-Y247 HydrophobicContact CB-CE1 3.96Å; P228-Y247 HydrophobicContact CB-CE2 4.24Å; P228-Y247 HydrophobicContact CB-CG 4.24Å; P228-Y247 HydrophobicContact CG-CD1 4.39Å; P228-Y247 HydrophobicContact CG-CE1 3.9Å; P228-Y247 VanDerWaalsContact O-CB 3.3Å; P228-Y247 WeakPolarHBondContact O-CB 3.38Å; P228-Y247 WeakPolarHBondContact O-CD1 3.36Å; G230-Y247 PolarHBondContact N-O 2.97Å; S231-Y247 PolarHBondContact O-N 3Å; Y247-S250 VanDerWaalsContact OH-CB 3.28Å; Y247-S250 WeakPolarHBondContact OH-CB 3.2Å; Y247-S250 PolarHBondContact OH-OG 2.83Å; Y247-E269 WeakPolarHBondContact CE2-OE1 3.45Å; Y247-E269 VanDerWaalsContact OH-CD 3.26Å; Y247-E269 PolarHBondContact OH-OE1 2.83Å; Y247-E269 PolarHBondContact OH-OE2 3.13Å; Y247-A271 HydrophobicContact CD2-CB 4.03Å; Y247-A271 HydrophobicContact CE2-CB 3.5Å; Y247-A271 VanDerWaalsContact CE2-CB 3.5Å; Y247-F273 HydrophobicContact CD2-CD1 4.45Å; Y247-F273 AromaticContact CD2-CE1 3.64Å; Y247-F273 HydrophobicContact CD2-CE1 3.64Å; Y247-F273 HydrophobicContact CD2-CZ 4.13Å; Y247-F273 HydrophobicContact CG-CE1 4.14Å
248D93.3Very high78.3Confident1 Ų164.8 Ų64.81%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-97.2-61178.9-172.168.5000110.3R91 M143 I229 I246 L272R91-D248 VanDerWaalsContact CD-O 3.23Å; R91-D248 WeakPolarHBondContact CD-O 3.06Å; R91-D248 IonicContact CZ-OD1 3.86Å; R91-D248 IonicContact CZ-OD2 3.43Å; R91-D248 VanDerWaalsContact CZ-OD2 3.28Å; R91-D248 PolarHBondContact NE-O 3.43Å; R91-D248 IonicContact NE-OD1 3.07Å; R91-D248 PolarHBondContact NE-OD1 2.86Å; R91-D248 IonicContact NE-OD2 2.61Å; R91-D248 PolarHBondContact NE-OD2 2.97Å; R91-D248 IonicContact NH2-OD1 2.7Å; R91-D248 IonicContact NH2-OD2 3.1Å; R91-D248 PolarHBondContact NH2-OD2 2.94Å; M143-D248 HydrophobicContact CE-CB 4.25Å; I229-D248 WeakPolarHBondContact CG1-O 3.35Å; I246-D248 PolarHBondContact O-N 2.61Å; D248-L272 PolarHBondContact N-O 2.87Å
249H91.3Very high76Confident46 Ų4664.3 Ų64.321%0.21336%0.36CS..EExtended strand (participates in β ladder)trans-161.5172.5176.964.5-74.8000110.5F251 L272H249-F251 AromaticContact CD2-CZ 3.83Å; H249-F251 AromaticContact NE2-CE1 3.88Å; H249-F251 AromaticContact NE2-CE2 3.54Å; H249-F251 AromaticContact NE2-CZ 3.17Å; H249-F251 WeakPolarHBondContact NE2-CZ 3.3Å; H249-L272 PolarHBondContact O-N 2.97Å
250S90Very high73.8Confident35 Ų3565.3 Ų65.325%0.24537%0.37CS..EExtended strand (participates in β ladder)trans-125.3161.7172.865.80000112.8Y247 E269 I270Y247-S250 VanDerWaalsContact OH-CB 3.28Å; Y247-S250 WeakPolarHBondContact OH-CB 3.2Å; Y247-S250 PolarHBondContact OH-OG 2.83Å; S250-E269 VanDerWaalsContact CB-CD 3.46Å; S250-E269 WeakPolarHBondContact CB-OE2 3.29Å; S250-E269 PolarHBondContact OG-OE2 2.77Å; S250-I270 VanDerWaalsContact CA-O 3.3Å; S250-I270 WeakPolarHBondContact CA-O 3.48Å; S250-I270 WeakPolarHBondContact CB-O 3.33Å
251F81.4Confident71.4Confident47 Ų4768 Ų6821%0.20638%0.382CS..EExtended strand (participates in β ladder)trans-107.2130.6171.8-61-84.9000110.3L206 K209 H249 R253 I270 L272L206-F251 HydrophobicContact CD1-CE2 4.32Å; L206-F251 HydrophobicContact CD2-CD2 3.33Å; L206-F251 HydrophobicContact CD2-CE2 3.6Å; L206-F251 HydrophobicContact CD2-CG 4.01Å; L206-F251 HydrophobicContact CD2-CZ 4.49Å; K209-F251 HydrophobicContact CD-CE1 4.17Å; K209-F251 HydrophobicContact CD-CZ 4.25Å; H249-F251 AromaticContact CD2-CZ 3.83Å; H249-F251 AromaticContact NE2-CE1 3.88Å; H249-F251 AromaticContact NE2-CE2 3.54Å; H249-F251 AromaticContact NE2-CZ 3.17Å; H249-F251 WeakPolarHBondContact NE2-CZ 3.3Å; F251-R253 VanDerWaalsContact C-N 3.33Å; F251-R253 PolarHBondContact O-N 3.35Å; F251-I270 PolarHBondContact N-O 3.49Å; F251-L272 HydrophobicContact CE2-CD1 3.52Å; F251-L272 HydrophobicContact CE2-CG 3.91Å; F251-L272 HydrophobicContact CZ-CD1 4.05Å
252N67.6Low68.9Low123 Ų12374 Ų7466%0.65842%0.421SS*.  trans-7688.1163.5-67-37.7000108.1K222K222-N252 VanDerWaalsContact CE-OD1 3.23Å; K222-N252 WeakPolarHBondContact CE-OD1 3.31Å; K222-N252 PolarHBondContact NZ-OD1 2.8Å
253R54Low66.4Low151 Ų15175.3 Ų75.357%0.5744%0.437SS*.  trans-108.4125.6158.3-110.9-179.6-179-174.5-5.3107.5H205 F251 M255H205-R253 PolarHBondContact O-NH1 2.92Å; F251-R253 VanDerWaalsContact C-N 3.33Å; F251-R253 PolarHBondContact O-N 3.35Å; R253-M255 PolarHBondContact O-N 3.11Å
254P45.9Very low64.1Low122 Ų12285.4 Ų85.479%0.79248%0.481SS*.  trans-55.9111159.4-6.618.1000105.8G256P254-G256 PolarHBondContact O-N 2.74Å
255M48.8Very low61.9Low50 Ų5092.2 Ų92.225%0.24651%0.513CS..  trans-60.9109.7164.2-93.1-172.3167.500105.5V219 R253 Y257 I270V219-M255 HydrophobicContact CB-CE 4.41Å; V219-M255 HydrophobicContact CG1-CE 4.01Å; V219-M255 HydrophobicContact CG1-SD 4.23Å; V219-M255 HydrophobicContact CG2-CE 3.46Å; V219-M255 VanDerWaalsContact CG2-CE 3.46Å; R253-M255 PolarHBondContact O-N 3.11Å; M255-Y257 HydrophobicContact CB-CD2 4.07Å; M255-Y257 HydrophobicContact CB-CE2 4.34Å; M255-Y257 PolarHBondContact O-N 3.05Å; M255-Y257 HydrophobicContact SD-CE2 4.31Å; M255-I270 HydrophobicContact CE-CD1 4.06Å; M255-I270 HydrophobicContact CE-CG1 4.17Å
256G44.2Very low60.4Low82 Ų8296.9 Ų96.985%0.84554%0.535SS*.  trans-58.2107.8174.200000108.5P254P254-G256 PolarHBondContact O-N 2.74Å
257Y42.5Very low59.3Low161 Ų16199.5 Ų99.563%0.63155%0.552SS**  trans-114.9145.9173.4-103.3-90.6000109.7M255 A259M255-Y257 HydrophobicContact CB-CD2 4.07Å; M255-Y257 HydrophobicContact CB-CE2 4.34Å; M255-Y257 PolarHBondContact O-N 3.05Å; M255-Y257 HydrophobicContact SD-CE2 4.31Å; Y257-A259 PolarHBondContact O-N 2.96Å
258N43.1Very low58.8Low153 Ų153105.7 Ų105.782%0.81858%0.575SS**  trans-49.8132.4-177.1-71.7-29.8000112G260N258-G260 PolarHBondContact O-N 3.19Å
259A39Very low58.7Low115 Ų115106.2 Ų106.295%0.9558%0.578SS**THydrogen-bonded Turntrans-56.1102.4172.200000109.8Y257Y257-A259 PolarHBondContact O-N 2.96Å
260G44.1Very low58.8Low72 Ų72104.2 Ų104.274%0.74257%0.569SS**THydrogen-bonded Turntrans170.5-7179.500000117.3N258N258-G260 PolarHBondContact O-N 3.19Å
261Y41.4Very low59Low220 Ų220102.6 Ų102.686%0.86356%0.557SS**  trans-105.1118.4179.7-137.9-99.1000111.8
262T42.2Very low59.6Low149 Ų149100.5 Ų100.591%0.91455%0.548SS*.  trans-101.816.8-178.353.90000113.8
263G42.3Very low60.9Low42 Ų4294.6 Ų94.643%0.43352%0.516SS..SBendtrans-7715417400000112.3Q265G263-Q265 VanDerWaalsContact C-N 3.34Å; G263-Q265 PolarHBondContact O-N 2.85Å
264K47.6Very low62.8Low215 Ų21587.7 Ų87.794%0.93549%0.491SS*.  trans-58100.6164.1-76.2-175.8179-179.60107.5E266K264-E266 PolarHBondContact O-N 3Å
265Q52.3Low65.1Low144 Ų14483.9 Ų83.967%0.67346%0.461SS*.  trans-75.4114.3-176.1-165.5171.3-2.400108.2G263G263-Q265 VanDerWaalsContact C-N 3.34Å; G263-Q265 PolarHBondContact O-N 2.85Å
266E64.3Low67.3Low99 Ų9981.6 Ų81.646%0.46345%0.45SS..PPolyproline II helixtrans-60.1133.4171.3-67.3178157.800108.9Q221 K264 R268Q221-E266 PolarHBondContact NE2-OE2 2.97Å; K264-E266 PolarHBondContact O-N 3Å; E266-R268 PolarHBondContact O-N 2.8Å
267P74.6Confident69.6Low55 Ų5580.7 Ų80.736%0.35742%0.424SS..PPolyproline II helixtrans-62.8124.7-178.927.7-33.8000108.4K222 E223K222-P267 HydrophobicContact CB-CB 4.08Å; K222-P267 HydrophobicContact CB-CG 4.28Å; K222-P267 VanDerWaalsContact CB-O 3.3Å; K222-P267 WeakPolarHBondContact CB-O 3.33Å; K222-P267 PolarHBondContact N-O 3.41Å; E223-P267 HydrophobicContact CB-CG 4.33Å
268R85.4Confident71.7Confident138 Ų13875.3 Ų75.352%0.52141%0.406SS..EExtended strand (participates in β ladder)trans-103.8150.4175.1-68.8-174.3176.8-173.9-2.1110G220 E266G220-R268 WeakPolarHBondContact O-CA 3.32Å; E266-R268 PolarHBondContact O-N 2.8Å
269E90.5Very high73.9Confident12 Ų1270.8 Ų70.86%0.05638%0.382CS..EExtended strand (participates in β ladder)trans-130.1156.6173.365.4179.9-17500112.2Y194 V219 G220 K222 Y247 S250Y194-E269 PolarHBondContact OH-OE1 3.34Å; V219-E269 WeakPolarHBondContact CA-O 3.35Å; G220-E269 PolarHBondContact N-O 3.47Å; G220-E269 PolarHBondContact O-N 3.27Å; K222-E269 HydrophobicContact CB-CB 4.08Å; K222-E269 HydrophobicContact CB-CG 4.06Å; K222-E269 HydrophobicContact CD-CB 4.15Å; K222-E269 HydrophobicContact CG-CB 4.14Å; K222-E269 HydrophobicContact CG-CG 4.24Å; K222-E269 WeakPolarHBondContact CG-OE2 3.47Å; Y247-E269 WeakPolarHBondContact CE2-OE1 3.45Å; Y247-E269 VanDerWaalsContact OH-CD 3.26Å; Y247-E269 PolarHBondContact OH-OE1 2.83Å; Y247-E269 PolarHBondContact OH-OE2 3.13Å; S250-E269 VanDerWaalsContact CB-CD 3.46Å; S250-E269 WeakPolarHBondContact CB-OE2 3.29Å; S250-E269 PolarHBondContact OG-OE2 2.77Å
270I92.9Very high76.3Confident4 Ų465.6 Ų65.62%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-100.6109.5162.5-58.6-178.7000106.5H205 L206 C217 G218 V219 S250 F251 M255H205-I270 HydrophobicContact CB-CD1 3.67Å; L206-I270 HydrophobicContact CD1-CG2 4.34Å; L206-I270 HydrophobicContact CD2-CG2 4.23Å; L206-I270 HydrophobicContact CG-CG2 4.48Å; C217-I270 HydrophobicContact CB-CG2 4.39Å; G218-I270 WeakPolarHBondContact O-CA 3.35Å; V219-I270 HydrophobicContact CG2-CG1 4.4Å; S250-I270 VanDerWaalsContact CA-O 3.3Å; S250-I270 WeakPolarHBondContact CA-O 3.48Å; S250-I270 WeakPolarHBondContact CB-O 3.33Å; F251-I270 PolarHBondContact N-O 3.49Å; M255-I270 HydrophobicContact CE-CD1 4.06Å; M255-I270 HydrophobicContact CE-CG1 4.17Å
271A94.5Very high78.5Confident0 Ų062.2 Ų62.20%030%0.303CS..EExtended strand (participates in β ladder)trans-93.4144.8176.600000110.8Y194 C217 G218 Y247 F273Y194-A271 HydrophobicContact CD1-CB 4.34Å; Y194-A271 HydrophobicContact CE1-CB 3.56Å; C217-A271 WeakPolarHBondContact CA-O 3.47Å; G218-A271 PolarHBondContact N-O 2.84Å; G218-A271 PolarHBondContact O-N 3.03Å; Y247-A271 HydrophobicContact CD2-CB 4.03Å; Y247-A271 HydrophobicContact CE2-CB 3.5Å; Y247-A271 VanDerWaalsContact CE2-CB 3.5Å; A271-F273 HydrophobicContact CB-CE1 4.47Å; A271-F273 HydrophobicContact CB-CE2 3.84Å; A271-F273 HydrophobicContact CB-CZ 3.72Å
272L94.5Very high80.7Confident3 Ų354.2 Ų54.22%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-99.3136.7166.6-80.2-179.1000109.9L206 Y210 M215 C217 D248 H249 F251L206-L272 HydrophobicContact CD1-CD1 4.38Å; L206-L272 HydrophobicContact CD1-CD2 3.47Å; L206-L272 VanDerWaalsContact CD1-CD2 3.47Å; L206-L272 HydrophobicContact CD1-CG 3.95Å; Y210-L272 HydrophobicContact CD2-CD2 4.03Å; M215-L272 HydrophobicContact CB-CD2 4.19Å; M215-L272 HydrophobicContact SD-CD1 3.69Å; M215-L272 HydrophobicContact SD-CD2 3.72Å; M215-L272 HydrophobicContact SD-CG 4.26Å; C217-L272 HydrophobicContact CB-CD2 3.83Å; D248-L272 PolarHBondContact N-O 2.87Å; H249-L272 PolarHBondContact O-N 2.97Å; F251-L272 HydrophobicContact CE2-CD1 3.52Å; F251-L272 HydrophobicContact CE2-CG 3.91Å; F251-L272 HydrophobicContact CZ-CD1 4.05Å
273F95.8Very high82.9Confident0 Ų050.9 Ų50.90%025%0.253CS..EExtended strand (participates in β ladder)trans-120.6129.4175.6-53.8-87.7000109.3V180 Y194 L196 M215 Y216 L233 I246 Y247 A271 K275V180-F273 HydrophobicContact CG2-CE1 3.42Å; V180-F273 VanDerWaalsContact CG2-CE1 3.42Å; V180-F273 HydrophobicContact CG2-CZ 3.72Å; Y194-F273 AromaticContact CD1-CE2 3.98Å; Y194-F273 HydrophobicContact CD1-CE2 3.98Å; Y194-F273 AromaticContact CD1-CZ 3.61Å; Y194-F273 HydrophobicContact CD1-CZ 3.61Å; Y194-F273 HydrophobicContact CD2-CZ 4.48Å; Y194-F273 HydrophobicContact CE1-CE2 4.41Å; Y194-F273 AromaticContact CE1-CZ 3.84Å; Y194-F273 HydrophobicContact CE1-CZ 3.84Å; Y194-F273 AromaticContact CG-CZ 3.96Å; Y194-F273 HydrophobicContact CG-CZ 3.96Å; L196-F273 HydrophobicContact CD2-CD2 4.45Å; L196-F273 HydrophobicContact CD2-CE2 4.41Å; M215-F273 CarbonylContact C-O 3.47Å; M215-F273 WeakPolarHBondContact CA-O 3.47Å; Y216-F273 PolarHBondContact N-O 2.75Å; Y216-F273 PolarHBondContact O-N 3.38Å; L233-F273 HydrophobicContact CB-CD1 3.72Å; L233-F273 HydrophobicContact CB-CE1 4.13Å; L233-F273 HydrophobicContact CB-CG 4.23Å; L233-F273 HydrophobicContact CD1-CD1 4.24Å; L233-F273 HydrophobicContact CD1-CE1 4.02Å; L233-F273 HydrophobicContact CD1-CE2 4.34Å; L233-F273 HydrophobicContact CD1-CZ 4.07Å; L233-F273 HydrophobicContact CD2-CB 3.98Å; L233-F273 HydrophobicContact CD2-CD1 4.11Å; L233-F273 HydrophobicContact CD2-CD2 4.04Å; L233-F273 HydrophobicContact CD2-CG 3.77Å; L233-F273 HydrophobicContact CG-CD1 4.24Å; L233-F273 HydrophobicContact CG-CE1 4.49Å; L233-F273 HydrophobicContact CG-CG 4.39Å; I246-F273 CarbonylContact O-C 3.54Å; I246-F273 WeakPolarHBondContact O-CA 3.48Å; Y247-F273 HydrophobicContact CD2-CD1 4.45Å; Y247-F273 AromaticContact CD2-CE1 3.64Å; Y247-F273 HydrophobicContact CD2-CE1 3.64Å; Y247-F273 HydrophobicContact CD2-CZ 4.13Å; Y247-F273 HydrophobicContact CG-CE1 4.14Å; A271-F273 HydrophobicContact CB-CE1 4.47Å; A271-F273 HydrophobicContact CB-CE2 3.84Å; A271-F273 HydrophobicContact CB-CZ 3.72Å; F273-K275 PolarHBondContact O-N 2.73Å
274M93.7Very high84.9Confident5 Ų548.9 Ų48.93%0.02523%0.233CC..EExtended strand (participates in β ladder)trans-66.3131.4165.4173.3161.8-63.800109.2M143 G144 L145 G245 I246M143-M274 HydrophobicContact CB-CE 4.4Å; M143-M274 VanDerWaalsContact CE-CA 3.47Å; M143-M274 HydrophobicContact CE-CB 3.71Å; M143-M274 HydrophobicContact CE-CE 4.1Å; M143-M274 HydrophobicContact CG-CE 3.41Å; M143-M274 VanDerWaalsContact CG-CE 3.41Å; G144-M274 VanDerWaalsContact O-SD 3.42Å; L145-M274 HydrophobicContact CB-SD 3.84Å; L145-M274 PolarHBondContact N-SD 3.07Å; L145-M274 VanDerWaalsContact N-SD 3.36Å; G245-M274 CarbonylContact C-O 3.47Å; G245-M274 WeakPolarHBondContact CA-O 3.28Å; I246-M274 PolarHBondContact N-O 3.38Å; I246-M274 PolarHBondContact O-N 2.7Å
275K94.5Very high86.7Confident42 Ų4240.3 Ų40.318%0.18320%0.196CC..EExtended strand (participates in β ladder)trans-67.9146171.4-61.3-165-176.9179.80110.8P212 V214 M215 Y216 F273P212-K275 WeakPolarHBondContact O-CE 2.99Å; P212-K275 PolarHBondContact O-NZ 2.01Å; V214-K275 PolarHBondContact O-N 2.94Å; M215-K275 VanDerWaalsContact O-CE 3.3Å; M215-K275 WeakPolarHBondContact O-CE 3.46Å; Y216-K275 HydrophobicContact CD2-CG 3.74Å; Y216-K275 HydrophobicContact CE1-CD 4.16Å; Y216-K275 HydrophobicContact CE1-CG 4.4Å; Y216-K275 HydrophobicContact CE2-CB 4.07Å; Y216-K275 HydrophobicContact CE2-CD 3.97Å; Y216-K275 HydrophobicContact CE2-CG 3.47Å; Y216-K275 VanDerWaalsContact CE2-CG 3.47Å; Y216-K275 HydrophobicContact CG-CG 4.31Å; F273-K275 PolarHBondContact O-N 2.73Å
276L94.1Very high88.1Confident2 Ų236.8 Ų36.81%0.0119%0.185CC..  trans-121.4149.8171.4-68.1175.5000111.3V87 L145 L165 P166 Q243 F244 I246 D280V87-L276 HydrophobicContact CG1-CD1 4.25Å; L145-L276 HydrophobicContact CD1-CD2 4.09Å; L145-L276 HydrophobicContact CD2-CD2 3.85Å; L145-L276 HydrophobicContact CG-CD2 4.43Å; L165-L276 HydrophobicContact CD2-CB 4.25Å; L165-L276 HydrophobicContact CD2-CD1 3.82Å; P166-L276 WeakPolarHBondContact CG-O 3.42Å; Q243-L276 HydrophobicContact CG-CD1 3.89Å; Q243-L276 VanDerWaalsContact NE2-CD1 3.34Å; F244-L276 PolarHBondContact O-N 2.77Å; I246-L276 HydrophobicContact CD1-CD1 3.89Å; I246-L276 HydrophobicContact CD1-CD2 3.92Å; I246-L276 HydrophobicContact CD1-CG 4.25Å; I246-L276 HydrophobicContact CG1-CD1 3.48Å; I246-L276 VanDerWaalsContact CG1-CD1 3.48Å; I246-L276 HydrophobicContact CG1-CD2 4.17Å; I246-L276 HydrophobicContact CG1-CG 3.95Å; L276-D280 VanDerWaalsContact CA-OD2 3.24Å; L276-D280 WeakPolarHBondContact CA-OD2 3.39Å
277E91.8Very high88.5Confident63 Ų6335.9 Ų35.929%0.29418%0.182SC..  trans-133.9160.3173.4-60.6-177.9178.100110.2L165 P166 S168 D279 D280L165-E277 WeakPolarHBondContact CD1-O 3.4Å; P166-E277 CarbonylContact O-C 3.5Å; S168-E277 WeakPolarHBondContact CB-OE2 3.48Å; E277-D279 VanDerWaalsContact C-N 3.29Å; E277-D279 PolarHBondContact O-N 2.84Å; E277-D280 PolarHBondContact N-OD2 3.1Å; E277-D280 WeakPolarHBondContact O-CB 3.31Å; E277-D280 PolarHBondContact O-N 3.08Å
278D88.2Confident87.8Confident48 Ų4836.1 Ų36.126%0.25718%0.179SC..THydrogen-bonded Turntrans-70.4-19.5-171.564.7-26.3000114.9R78 L165 P166 Y167 S168R78-D278 IonicContact NH2-OD2 2.82Å; L165-D278 HydrophobicContact CB-CB 4.28Å; P166-D278 WeakPolarHBondContact O-CB 3.39Å; P166-D278 PolarHBondContact O-N 2.82Å; Y167-D278 WeakPolarHBondContact CD1-OD2 3.47Å; S168-D278 PolarHBondContact N-OD1 3.06Å
279D88.2Confident86.5Confident59 Ų5933.9 Ų33.932%0.31618%0.181SC..THydrogen-bonded Turntrans-88.4-14.4173.772-51.2000113.6S168 E277 V281 A282 R283S168-D279 PolarHBondContact OG-OD1 3.38Å; E277-D279 VanDerWaalsContact C-N 3.29Å; E277-D279 PolarHBondContact O-N 2.84Å; D279-V281 PolarHBondContact O-N 3.35Å; D279-A282 PolarHBondContact O-N 2.92Å; D279-A282 VanDerWaalsContact O-N 3.13Å; D279-R283 WeakPolarHBondContact O-CB 3.28Å; D279-R283 PolarHBondContact O-N 2.88Å; D279-R283 IonicContact OD1-NH1 3.92Å; D279-R283 PolarHBondContact OD1-NH1 3Å; D279-R283 IonicContact OD2-CZ 2.99Å; D279-R283 IonicContact OD2-NH1 2.93Å; D279-R283 PolarHBondContact OD2-NH1 3.34Å
280D89.4Confident84.5Confident5 Ų539.8 Ų39.83%0.02721%0.212CC..Hα-helixtrans-55.3-46.1-171.7-76.9-14.1000113.2L145 L276 E277 A282 R283 I284L145-D280 HydrophobicContact CD2-CB 3.73Å; L276-D280 VanDerWaalsContact CA-OD2 3.24Å; L276-D280 WeakPolarHBondContact CA-OD2 3.39Å; E277-D280 PolarHBondContact N-OD2 3.1Å; E277-D280 WeakPolarHBondContact O-CB 3.31Å; E277-D280 PolarHBondContact O-N 3.08Å; D280-A282 PolarHBondContact O-N 2.81Å; D280-R283 PolarHBondContact O-N 3.24Å; D280-R283 IonicContact OD1-CZ 3.73Å; D280-R283 IonicContact OD1-NH1 2.8Å; D280-R283 PolarHBondContact OD1-NH1 3.16Å; D280-R283 IonicContact OD1-NH2 3.28Å; D280-R283 PolarHBondContact OD1-NH2 3.05Å; D280-I284 WeakPolarHBondContact O-CG1 3.32Å; D280-I284 PolarHBondContact O-N 2.77Å
281V89.7Confident82.2Confident1 Ų144.2 Ų44.21%0.00624%0.244CC..Hα-helixtrans-62.3-45.5-179175.10000110.8Y75 V87 V147 L165 D279 Q285Y75-V281 HydrophobicContact CD1-CB 4.16Å; Y75-V281 HydrophobicContact CD1-CG1 3.67Å; Y75-V281 HydrophobicContact CD1-CG2 4.06Å; Y75-V281 HydrophobicContact CD2-CG2 3.94Å; Y75-V281 HydrophobicContact CE1-CB 3.92Å; Y75-V281 HydrophobicContact CE1-CG1 3.67Å; Y75-V281 HydrophobicContact CE1-CG2 4.16Å; Y75-V281 HydrophobicContact CE2-CG2 4.08Å; Y75-V281 HydrophobicContact CG-CG1 4.33Å; Y75-V281 HydrophobicContact CG-CG2 3.92Å; V87-V281 HydrophobicContact CG2-CG2 3.69Å; V147-V281 HydrophobicContact CG1-CG1 4.13Å; V147-V281 HydrophobicContact CG2-CB 4.42Å; V147-V281 HydrophobicContact CG2-CG1 4.02Å; V147-V281 HydrophobicContact CG2-CG2 4.31Å; L165-V281 HydrophobicContact CD1-CG2 3.99Å; D279-V281 PolarHBondContact O-N 3.35Å; V281-Q285 WeakPolarHBondContact O-CG 3.38Å; V281-Q285 PolarHBondContact O-N 3.03Å
282A89.3Confident79.7Confident52 Ų5253 Ų5343%0.4330%0.297SS..Hα-helixtrans-66.5-44.4178.400000110.9D279 D280 I284 Q285 T286D279-A282 PolarHBondContact O-N 2.92Å; D279-A282 VanDerWaalsContact O-N 3.13Å; D280-A282 PolarHBondContact O-N 2.81Å; A282-I284 PolarHBondContact O-N 3.47Å; A282-Q285 PolarHBondContact O-N 3.28Å; A282-T286 WeakPolarHBondContact O-CG2 3.17Å; A282-T286 PolarHBondContact O-N 2.78Å; A282-T286 PolarHBondContact O-OG1 3.45Å
283R86.6Confident78.9Confident80 Ų8055.5 Ų55.530%0.30231%0.311SS..Hα-helixtrans-57.3-47.6179.8-170.1171.370.8-132.21.9111.4D279 D280 Q285 T286 L287D279-R283 WeakPolarHBondContact O-CB 3.28Å; D279-R283 PolarHBondContact O-N 2.88Å; D279-R283 IonicContact OD1-NH1 3.92Å; D279-R283 PolarHBondContact OD1-NH1 3Å; D279-R283 IonicContact OD2-CZ 2.99Å; D279-R283 IonicContact OD2-NH1 2.93Å; D279-R283 PolarHBondContact OD2-NH1 3.34Å; D280-R283 PolarHBondContact O-N 3.24Å; D280-R283 IonicContact OD1-CZ 3.73Å; D280-R283 IonicContact OD1-NH1 2.8Å; D280-R283 PolarHBondContact OD1-NH1 3.16Å; D280-R283 IonicContact OD1-NH2 3.28Å; D280-R283 PolarHBondContact OD1-NH2 3.05Å; R283-Q285 PolarHBondContact O-N 2.71Å; R283-T286 PolarHBondContact O-N 3.21Å; R283-T286 VanDerWaalsContact O-N 3.16Å; R283-T286 PolarHBondContact O-OG1 3.35Å; R283-L287 HydrophobicContact CG-CD1 4.4Å; R283-L287 WeakPolarHBondContact O-CG 3.35Å; R283-L287 PolarHBondContact O-N 2.71Å
284I85.4Confident78Confident0 Ų058.4 Ų58.40%033%0.327CS..Hα-helixtrans-64.1-41.9179.9-71.7-172.5000112.4F129 T131 L145 V147 D280 A282 T286 L287F129-I284 HydrophobicContact CB-CG2 3.77Å; T131-I284 VanDerWaalsContact OG1-CG1 3.28Å; T131-I284 WeakPolarHBondContact OG1-CG1 3.39Å; T131-I284 WeakPolarHBondContact OG1-CG2 3.2Å; L145-I284 HydrophobicContact CB-CD1 3.54Å; L145-I284 HydrophobicContact CD2-CD1 3.42Å; L145-I284 VanDerWaalsContact CD2-CD1 3.42Å; L145-I284 HydrophobicContact CD2-CG1 4.46Å; L145-I284 HydrophobicContact CG-CD1 3.42Å; L145-I284 VanDerWaalsContact CG-CD1 3.42Å; V147-I284 HydrophobicContact CG2-CG2 4.42Å; D280-I284 WeakPolarHBondContact O-CG1 3.32Å; D280-I284 PolarHBondContact O-N 2.77Å; A282-I284 PolarHBondContact O-N 3.47Å; I284-T286 PolarHBondContact O-N 2.68Å; I284-L287 PolarHBondContact O-N 3.41Å
285Q84.6Confident77.2Confident35 Ų3561.4 Ų61.416%0.16434%0.344CS..Hα-helixtrans-63.1-32.8176.1-70175.9-31.700112.1E85 F129 V281 A282 R283 T289E85-Q285 PolarHBondContact OE1-NE2 3.15Å; F129-Q285 HydrophobicContact CB-CG 4.47Å; F129-Q285 HydrophobicContact CD2-CG 3.89Å; F129-Q285 HydrophobicContact CE2-CG 4.2Å; F129-Q285 HydrophobicContact CG-CG 4.05Å; V281-Q285 WeakPolarHBondContact O-CG 3.38Å; V281-Q285 PolarHBondContact O-N 3.03Å; A282-Q285 PolarHBondContact O-N 3.28Å; R283-Q285 PolarHBondContact O-N 2.71Å; Q285-T289 PolarHBondContact O-OG1 3.41Å
286T81.9Confident76.2Confident70 Ų7062.5 Ų62.543%0.42935%0.354SS..Hα-helixtrans-77.8-32.3177.160.20000114.5A282 R283 I284 T289 N290A282-T286 WeakPolarHBondContact O-CG2 3.17Å; A282-T286 PolarHBondContact O-N 2.78Å; A282-T286 PolarHBondContact O-OG1 3.45Å; R283-T286 PolarHBondContact O-N 3.21Å; R283-T286 VanDerWaalsContact O-N 3.16Å; R283-T286 PolarHBondContact O-OG1 3.35Å; I284-T286 PolarHBondContact O-N 2.68Å; T286-T289 VanDerWaalsContact CA-OG1 3.28Å; T286-T289 WeakPolarHBondContact CA-OG1 3.09Å; T286-T289 PolarHBondContact O-N 3.44Å; T286-T289 PolarHBondContact O-OG1 3.25Å; T286-N290 PolarHBondContact O-N 3.16Å; T286-N290 PolarHBondContact O-ND2 2.91Å; T286-N290 VanDerWaalsContact O-ND2 3.12Å
287L72.7Confident75Confident80 Ų8066.3 Ų66.342%0.41938%0.375SS..Hα-helixtrans-64.4-42.5-179.6-75.2170.2000111.4T131 R283 I284 S291T131-L287 HydrophobicContact CG2-CD1 4.22Å; R283-L287 HydrophobicContact CG-CD1 4.4Å; R283-L287 WeakPolarHBondContact O-CG 3.35Å; R283-L287 PolarHBondContact O-N 2.71Å; I284-L287 PolarHBondContact O-N 3.41Å; L287-S291 PolarHBondContact O-N 3.12Å; L287-S291 PolarHBondContact O-OG 3.3Å
288E61.2Low73.9Confident59 Ų5966.5 Ų66.528%0.27638%0.381SS..Hα-helixtrans-75.1-30.6178.9-73.3-166.5179.400113.4F129 A130 N290 S291F129-E288 WeakPolarHBondContact CA-OE2 3.44Å; F129-E288 HydrophobicContact CD1-CB 4.16Å; F129-E288 VanDerWaalsContact CD1-OE2 3.31Å; F129-E288 WeakPolarHBondContact CD1-OE2 3.13Å; A130-E288 PolarHBondContact N-OE1 3.22Å; A130-E288 VanDerWaalsContact O-OE1 3.1Å; E288-N290 VanDerWaalsContact C-N 3.29Å; E288-N290 PolarHBondContact O-N 3.46Å; E288-S291 WeakPolarHBondContact O-CB 3.43Å; E288-S291 PolarHBondContact O-N 3.42Å
289T57.4Low72.9Confident92 Ų9267.9 Ų67.956%0.56439%0.39SS*.Hα-helixtrans-68.6-28.8175.524.40000112.9Q285 T286 S291Q285-T289 PolarHBondContact O-OG1 3.41Å; T286-T289 VanDerWaalsContact CA-OG1 3.28Å; T286-T289 WeakPolarHBondContact CA-OG1 3.09Å; T286-T289 PolarHBondContact O-N 3.44Å; T286-T289 PolarHBondContact O-OG1 3.25Å; T289-S291 VanDerWaalsContact C-N 3.33Å
290N48.6Very low71.7Confident135 Ų13568.5 Ų68.572%0.72240%0.395SS*.THydrogen-bonded Turntrans-87.1-1.6175.2-66.6-36.1000113.4T286 E288 V292T286-N290 PolarHBondContact O-N 3.16Å; T286-N290 PolarHBondContact O-ND2 2.91Å; T286-N290 VanDerWaalsContact O-ND2 3.12Å; E288-N290 VanDerWaalsContact C-N 3.29Å; E288-N290 PolarHBondContact O-N 3.46Å; N290-V292 VanDerWaalsContact C-N 3.31Å
291S45.2Very low70.3Confident97 Ų9773.8 Ų73.868%0.67843%0.426SS*.THydrogen-bonded Turntrans-88.64178.8-57.30000113.4L287 E288 T289L287-S291 PolarHBondContact O-N 3.12Å; L287-S291 PolarHBondContact O-OG 3.3Å; E288-S291 WeakPolarHBondContact O-CB 3.43Å; E288-S291 PolarHBondContact O-N 3.42Å; T289-S291 VanDerWaalsContact C-N 3.33Å
292V40.5Very low68.5Low185 Ų18580.5 Ų80.5100%1.12146%0.464SS*.  trans-110.90179.1-175.70000109.3N290N290-V292 VanDerWaalsContact C-N 3.31Å

Retrieved 292 of 292 residues in 75.9 ms (Link to these results)