A0A096NF68_PAPAN Loading...

Glycosylphosphatidylinositol anchored high density lipoprotein binding protein 1

AlphaFold DB (A0A2K5XFK9), UniProt , Accession A0A096NF68, Species PAPAN (Papio anubis, Olive baboon), Gene GPIHBP1, Length 184 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
1M56.2Low58.2Low200 Ų200127.6 Ų127.699%0.98566%0.663SS**  0-28.90-62.2-62.3-99.400115.1
2K55.3Low58.4Low192 Ų192128.5 Ų128.584%0.83567%0.668SS**  trans-90.9-25.1-179.4-74.8168.2176.2169.30114.9
3V55Low58.5Low114 Ų114130.2 Ų130.269%0.69168%0.678SS**Hα-helixtrans-73.9-34.4-179.5-170.50000112.2R5 A6 L7V3-R5 VanDerWaalsContact C-N 3.3Å; V3-R5 PolarHBondContact O-N 2.85Å; V3-A6 PolarHBondContact O-N 3.13Å; V3-L7 PolarHBondContact O-N 3.09Å
4L57.2Low58.5Low120 Ų120128.5 Ų128.563%0.62868%0.68SS**Hα-helixtrans-64.7-30.9177.8-75.3161.3000113.3L8L4-L8 PolarHBondContact O-N 3.42Å
5R58.3Low57.6Low194 Ų194124.6 Ų124.673%0.73268%0.683SS**Hα-helixtrans-72.8-33.5179-73.3-167.2172.2-167.7-2112.7V3 L9V3-R5 VanDerWaalsContact C-N 3.3Å; V3-R5 PolarHBondContact O-N 2.85Å; R5-L9 WeakPolarHBondContact O-CD1 3.37Å; R5-L9 WeakPolarHBondContact O-CG 3.49Å; R5-L9 PolarHBondContact O-N 2.84Å
6A59.6Low57.1Low64 Ų64127.9 Ų127.953%0.52969%0.692SS.*Hα-helixtrans-70.4-36.3176.700000111.9V3 L9 A10V3-A6 PolarHBondContact O-N 3.13Å; A6-L9 PolarHBondContact O-N 2.9Å; A6-A10 PolarHBondContact O-N 3.25Å
7L59.4Low56.7Low113 Ų113128.4 Ų128.459%0.59270%0.703SS**Hα-helixtrans-69.7-37.3177.8-118.5119.4000112.9V3 A10 L11V3-L7 PolarHBondContact O-N 3.09Å; L7-A10 PolarHBondContact O-N 3.43Å; L7-L11 PolarHBondContact O-N 2.8Å
8L60.4Low55.8Low109 Ų109125.1 Ų125.157%0.57170%0.704SS**Hα-helixtrans-64.4-38.7174.8-91.9156.6000112.8L4 L11 L12L4-L8 PolarHBondContact O-N 3.42Å; L8-L11 PolarHBondContact O-N 2.84Å; L8-L12 PolarHBondContact O-N 3.37Å
9L60.4Low55.3Low111 Ų111131.2 Ų131.258%0.58172%0.715SS**Hα-helixtrans-68.9-34.2178-74.8162.7000112.1R5 A6 L13R5-L9 WeakPolarHBondContact O-CD1 3.37Å; R5-L9 WeakPolarHBondContact O-CG 3.49Å; R5-L9 PolarHBondContact O-N 2.84Å; A6-L9 PolarHBondContact O-N 2.9Å; L9-L13 WeakPolarHBondContact O-CD1 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å
10A60.6Low54.3Low57 Ų57128.6 Ų128.647%0.47172%0.72SS.*Hα-helixtrans-69.7-36.3175.500000112.8A6 L7 L13A6-A10 PolarHBondContact O-N 3.25Å; L7-A10 PolarHBondContact O-N 3.43Å; A10-L13 PolarHBondContact O-N 2.75Å
11L58.1Low53.5Low130 Ų130130.6 Ų130.668%0.68172%0.724SS**Hα-helixtrans-69-33.3177.5-78.4162.6000113L7 L8 L13L7-L11 PolarHBondContact O-N 2.8Å; L8-L11 PolarHBondContact O-N 2.84Å; L11-L13 VanDerWaalsContact C-N 3.33Å
12L60.8Low52.4Low138 Ų138125 Ų12572%0.72371%0.709SS**Hα-helixtrans-72.2-24.9177.7-78.9160.7000113.4L8L8-L12 PolarHBondContact O-N 3.37Å
13L59.6Low51.7Low151 Ų151123.8 Ų123.879%0.79171%0.706SS**Hα-helixtrans-94.4-8.7-175-71.7164.7000114L9 A10 L11L9-L13 WeakPolarHBondContact O-CD1 3.44Å; L9-L13 WeakPolarHBondContact O-CG 3.35Å; A10-L13 PolarHBondContact O-N 2.75Å; L11-L13 VanDerWaalsContact C-N 3.33Å
14C57.6Low50.9Low106 Ų106126.5 Ų126.572%0.71671%0.712SS**  trans-108.512.2-179.3-69.60000114.4Q16C14-Q16 PolarHBondContact O-N 2.76Å
15G46.1Very low50Low70 Ų70127.5 Ų127.572%0.72271%0.713SS**  trans-72.486.4176.500000112.5
16Q49.3Very low49.2Very low178 Ų178127.6 Ų127.683%0.83272%0.722SS**  trans-66.4144.4164.4-74.3-173.2-67.300110.7C14 G18C14-Q16 PolarHBondContact O-N 2.76Å; Q16-G18 PolarHBondContact O-N 3.02Å
17P50.2Low48.3Very low135 Ų135132 Ų13288%0.87773%0.731SS**  trans-74.692.717030.1-29.2000109
18G41.2Very low47.6Very low70 Ų70134.8 Ų134.872%0.72275%0.747SS**  trans-95.2101.617700000111.7Q16Q16-G18 PolarHBondContact O-N 3.02Å
19R44.9Very low47Very low241 Ų241137.8 Ų137.891%0.90976%0.758SS**  trans-27.1128.4153.4-174.5176.9171.4155.5-1.6113.2
20G35.8Very low46.4Very low79 Ų79139.9 Ų139.981%0.81477%0.77SS**  trans-158.1114.9173.500000110.9
21Q36.7Very low45.7Very low171 Ų171145.5 Ų145.580%0.79979%0.786SS**  trans-101.9151.2-174.2-177.8-176.2-12.100108.7
22A35.1Very low45.4Very low81 Ų81145.9 Ų145.967%0.66979%0.789SS**  trans62.6156.716000000116.9
23Q40.2Very low44.7Very low168 Ų168148 Ų14879%0.78580%0.795SS**  cis-172.6145-15.8-109.9169.4-35.800102.9
24Q37.4Very low44.3Very low171 Ų171148.4 Ų148.480%0.79979%0.79SS**  trans168.5104.6141-97166.714.300107.2
25E38.9Very low44.4Very low141 Ų141148.5 Ų148.566%0.65979%0.789SS**  77.196.681.2-76.1171.2-156.800110.3
26E40.6Very low44.6Very low195 Ų195150.5 Ų150.591%0.91178%0.784SS**  trans-133.5115.2136.1-72-75.3160.800104.3
27E40.8Very low44.8Very low156 Ų156149.3 Ų149.373%0.72978%0.783SS**  trans-68.6140.4175.9-62.8167.1150.700109.1
28D44.4Very low45Very low173 Ų173149 Ų14993%0.92577%0.774SS**  trans-149.1118.1139.4-88.5-37.7000107
29E48.2Very low45.8Very low172 Ų172153.9 Ų153.980%0.80478%0.784SS**  trans-65.4147.8-179.7-57.1174.1137.400110.2
30D48.7Very low46.5Very low155 Ų155149.7 Ų149.783%0.82977%0.774SS**  trans179.5106.1133.2-82.8-24.4000111.3
31E45.3Very low47.4Very low175 Ų175154 Ų15482%0.81877%0.773SS**  trans49.7103.6138.9-64.8-164.5138.500122.5
32D52.4Low48.5Very low138 Ų138153.2 Ų153.274%0.73877%0.774SS**  72151.3112.8-143.53000120.4
33H45.2Very low49.5Very low183 Ų183158 Ų15885%0.84778%0.783SS**  trans114.571.5179.5-6274.7000115.2
34K52.3Low50.3Low158 Ų158156.6 Ų156.669%0.68778%0.781SS**  trans-110.9149.3130.3-129.5-164.882.2157.80106.6D36K34-D36 WeakPolarHBondContact CE-OD1 3.43Å; K34-D36 IonicContact NZ-OD1 2.8Å; K34-D36 PolarHBondContact NZ-OD1 2.79Å
35P58Low51.1Low108 Ų108157.7 Ų157.770%0.70179%0.786SS**  -141.7-177.765.817.29.4000111.2
36D50.2Low52Low113 Ų113157.4 Ų157.460%0.60479%0.793SS**  cis-172.8154.7-9.5-92.4-32.9000103K34K34-D36 WeakPolarHBondContact CE-OD1 3.43Å; K34-D36 IonicContact NZ-OD1 2.8Å; K34-D36 PolarHBondContact NZ-OD1 2.79Å
37D54.2Low52.5Low153 Ų153156.3 Ų156.382%0.81879%0.788SS**  172.1144.6123.3-128.7-52.4000110.8
38D54.2Low53Low128 Ų128156.5 Ų156.568%0.68479%0.789SS**  trans-78.5156.3-166-61.8-71.3000113.3
39D59.4Low53.3Low173 Ų173156.7 Ų156.793%0.92579%0.785SS**  -157.3119.1129-113.5-21.3000110.6
40E58.8Low53.6Low152 Ų152157.4 Ų157.471%0.7179%0.788SS**  trans-82.9157175.9-71.7-83.2-171.400110.4
41E54.7Low53.6Low170 Ų170153.4 Ų153.479%0.79477%0.769SS**  trans68.8112.7156.6-66.6172.1-156.400119.5
42D59.6Low54Low154 Ų154152.1 Ų152.182%0.82477%0.768SS**  -156.4108116.6-97.8-28000109.8
43E55.6Low53.6Low183 Ų183157.2 Ų157.286%0.85578%0.777SS**  trans-74.6115.9163.2-63.5-172.7161.800108.5
44D58Low53.9Low138 Ų138155.9 Ų155.974%0.73878%0.775SS**  trans-133.887.3159.5-81.2-44.3000109.3V46D44-V46 PolarHBondContact O-N 3.17Å
45E54.3Low53.7Low194 Ų194154.8 Ų154.891%0.90778%0.784SS**  trans-62.2108.5152.1-74.2-174164.400108.6
46V56.7Low53.3Low134 Ų134153.3 Ų153.381%0.81279%0.788SS**  trans-121.9100.5158.4-75.30000109.5D44D44-V46 PolarHBondContact O-N 3.17Å
47E50.7Low53.3Low172 Ų172151 Ų15180%0.80479%0.792SS**  trans-56.8146.9164.2-83.4-147154.200112.3
48E52.6Low53.3Low161 Ų161155.6 Ų155.675%0.75280%0.798SS**  trans54.788.8144.7-56.7-90.4135.100117.3
49E49.6Very low53.2Low177 Ų177152.4 Ų152.483%0.82780%0.795SS**  trans-122.388.4143-118.5-157.2149.700110.3T51E49-T51 VanDerWaalsContact C-N 3.35Å; E49-T51 HydrophobicContact CB-CG2 4.16Å; E49-T51 HydrophobicContact CG-CG2 3.77Å; E49-T51 PolarHBondContact O-N 2.96Å; E49-T51 VanDerWaalsContact O-N 3.15Å; E49-T51 WeakPolarHBondContact OE1-CG2 3.43Å
50E56.3Low53.5Low187 Ų187152.5 Ų152.587%0.87478%0.782SS**  trans-68.296.4152.1-168.5-163.8144.600107.8
51T46.8Very low54Low70 Ų70151.4 Ų151.443%0.42979%0.785SS.*  trans-152105.8160.81650000111.3E49 R53E49-T51 VanDerWaalsContact C-N 3.35Å; E49-T51 HydrophobicContact CB-CG2 4.16Å; E49-T51 HydrophobicContact CG-CG2 3.77Å; E49-T51 PolarHBondContact O-N 2.96Å; E49-T51 VanDerWaalsContact O-N 3.15Å; E49-T51 WeakPolarHBondContact OE1-CG2 3.43Å; T51-R53 PolarHBondContact O-N 2.79Å
52N54Low55.5Low149 Ų149148.2 Ų148.280%0.79777%0.773SS**  trans54.556.6146.4-57.8-69.7000116.6L54N52-L54 PolarHBondContact O-N 3.37Å; N52-L54 VanDerWaalsContact O-N 3.09Å
53R45.4Very low57.2Low244 Ų244142 Ų14292%0.92174%0.74SS**  trans-71.1101.7153.8-71.4-173.9175.6158.71.5108.7T51T51-R53 PolarHBondContact O-N 2.79Å
54L51.2Low59.2Low156 Ų156138.5 Ų138.582%0.81772%0.719SS**  trans-36.6135.4158.2-68.3154.6000109.3N52 G56N52-L54 PolarHBondContact O-N 3.37Å; N52-L54 VanDerWaalsContact O-N 3.09Å; L54-G56 PolarHBondContact O-N 2.81Å
55P47.6Very low61.2Low135 Ų135132 Ų13288%0.87768%0.684SS**SBendtrans-7669.3179.932.1-32.6000109.6
56G49.9Very low63.3Low76 Ų76125.4 Ų125.478%0.78465%0.651SS**  trans-98.88.117500000112.9L54L54-G56 PolarHBondContact O-N 2.81Å
57G48.9Very low65.2Low66 Ų66120.9 Ų120.968%0.6862%0.624SS**SBendtrans-85.5112.5162.900000107.5G59G57-G59 PolarHBondContact O-N 3.3Å
58R54.9Low67.5Low249 Ų249113.7 Ų113.794%0.9459%0.592SS**  trans-64.678.1167.7-156.4-178.7-156.6-1536.3107.1R60R58-R60 PolarHBondContact O-N 3.03Å
59G51.6Low69.7Low60 Ų60114.1 Ų114.162%0.61959%0.594SS**  trans-53.7108.517900000105.9G57 V61G57-G59 PolarHBondContact O-N 3.3Å; G59-V61 VanDerWaalsContact C-N 3.35Å; G59-V61 PolarHBondContact O-N 3.3Å
60R65.6Low71.9Confident176 Ų176109.2 Ų109.266%0.66458%0.579SS**  trans-60.8106.8178.9-62.8-178.1-169.8-13010.5104.5R58 L62 H85R58-R60 PolarHBondContact O-N 3.03Å; R60-L62 WeakPolarHBondContact O-CD1 3.43Å; R60-L62 PolarHBondContact O-N 2.77Å; R60-H85 PolarHBondContact NH1-CE1 2.84Å; R60-H85 PolarHBondContact NH1-NE2 3.11Å; R60-H85 VanDerWaalsContact NH1-NE2 3.15Å
61V70.3Confident73.9Confident128 Ų128101.8 Ų101.878%0.77655%0.545SS*.  trans-60.1113.2179.91780000106.2G59 L63G59-V61 VanDerWaalsContact C-N 3.35Å; G59-V61 PolarHBondContact O-N 3.3Å; V61-L63 PolarHBondContact O-N 3.33Å
62L86Confident76.3Confident104 Ų104100.3 Ų100.355%0.54554%0.538SS..  trans-66.1118.5173.7-89.969.3000107.4R60 W64 N134R60-L62 WeakPolarHBondContact O-CD1 3.43Å; R60-L62 PolarHBondContact O-N 2.77Å; L62-W64 VanDerWaalsContact O-CD1 3.31Å; L62-N134 PolarHBondContact O-OD1 2.8Å
63L95.9Very high78.3Confident22 Ų2298.6 Ų98.612%0.11552%0.521CS..  trans-74.3129.3174.3-179.266.9000109V61 C83 Q87 F133 N134V61-L63 PolarHBondContact O-N 3.33Å; L63-C83 HydrophobicContact CB-CB 4.33Å; L63-C83 PolarHBondContact O-N 2.85Å; L63-Q87 VanDerWaalsContact CD2-O 3.27Å; L63-Q87 WeakPolarHBondContact CD2-O 3.33Å; L63-F133 VanDerWaalsContact CD1-C 3.45Å; L63-N134 WeakPolarHBondContact CA-OD1 3.22Å
64W97.8Very high80.6Confident111 Ų11192.4 Ų92.442%0.4251%0.506SS..EExtended strand (participates in β ladder)trans-107.4133.6171.9-69.677.9000110L62 R81 N134 L135L62-W64 VanDerWaalsContact O-CD1 3.31Å; W64-R81 WeakPolarHBondContact CA-O 3.4Å; W64-N134 PolarHBondContact N-OD1 2.81Å; W64-N134 CarbonylContact O-C 3.55Å; W64-N134 WeakPolarHBondContact O-CA 3.39Å; W64-L135 HydrophobicContact CB-CD2 4.12Å; W64-L135 PolarHBondContact O-N 2.99Å
65C98.4Very high82.8Confident0 Ų089.3 Ų89.30%049%0.487CS..EExtended strand (participates in β ladder)trans-129.8158.3177.6-55.30000110.9T80 R81 C83 C89C65-T80 WeakPolarHBondContact O-CA 3.27Å; C65-R81 PolarHBondContact N-O 2.89Å; C65-R81 PolarHBondContact O-N 3.35Å; C65-C83 PolarHBondContact SG-SG 2.84Å; C65-C89 HydrophobicContact CB-CB 3.72Å; C65-C89 WeakPolarHBondContact CB-SG 2.99Å; C65-C89 WeakPolarHBondContact SG-CA 3.17Å; C65-C89 WeakPolarHBondContact SG-CB 3.39Å; C65-C89 CovalentContact SG-SG 2.01Å; C65-C89 PolarHBondContact SG-SG 3.12Å
66Y98.6Very high85.1Confident57 Ų5788.5 Ų88.522%0.22447%0.471CS..EExtended strand (participates in β ladder)trans-69.7142165.3-74.3-69.2000110.8C77 L79 T80 A108 W109 L135 N137 V138Y66-C77 HydrophobicContact CD1-CB 4.13Å; Y66-C77 VanDerWaalsContact CD1-O 3.23Å; Y66-C77 WeakPolarHBondContact CD1-O 3.29Å; Y66-C77 WeakPolarHBondContact CE1-O 3.38Å; Y66-C77 HydrophobicContact CG-CB 4.37Å; Y66-L79 CarbonylContact C-O 3.56Å; Y66-L79 VanDerWaalsContact CA-O 3.31Å; Y66-L79 WeakPolarHBondContact CA-O 2.93Å; Y66-L79 WeakPolarHBondContact CD1-O 3.38Å; Y66-T80 HydrophobicContact CD1-CG2 3.77Å; Y66-T80 HydrophobicContact CE1-CG2 3.71Å; Y66-A108 CarbonylContact O-C 3.57Å; Y66-A108 VanDerWaalsContact O-C 3.24Å; Y66-A108 WeakPolarHBondContact O-CB 3.39Å; Y66-W109 PolarHBondContact O-N 2.86Å; Y66-L135 HydrophobicContact CD2-CB 4.28Å; Y66-L135 HydrophobicContact CD2-CD2 4.46Å; Y66-L135 HydrophobicContact CE2-CB 3.74Å; Y66-L135 HydrophobicContact CE2-CD2 4.33Å; Y66-L135 HydrophobicContact CE2-CG 4.49Å; Y66-N137 PolarHBondContact N-OD1 3.36Å; Y66-N137 PolarHBondContact O-ND2 3.46Å; Y66-V138 HydrophobicContact CD2-CG2 3.83Å; Y66-V138 HydrophobicContact CE2-CG2 3.54Å
67T98.4Very high87.3Confident39 Ų3985.5 Ų85.524%0.23944%0.438CS..  trans-132.192.7179.865.40000111.7L79 R81 A108T67-L79 PolarHBondContact N-O 2.88Å; T67-L79 WeakPolarHBondContact O-CB 3.35Å; T67-R81 HydrophobicContact CG2-CB 3.52Å; T67-A108 CarbonylContact C-O 3.55Å; T67-A108 WeakPolarHBondContact CA-O 3.4Å
68C98.4Very high89.6Confident20 Ų2089.1 Ų89.114%0.13544%0.442CS..EExtended strand (participates in β ladder)trans-141.4154.5179.1-65.50000110.8L71 C77 S107 A108C68-L71 HydrophobicContact CB-CD1 3.57Å; C68-L71 HydrophobicContact CB-CD2 4.45Å; C68-L71 HydrophobicContact CB-CG 3.87Å; C68-C77 HydrophobicContact CB-CB 3.76Å; C68-C77 WeakPolarHBondContact CB-SG 2.99Å; C68-C77 WeakPolarHBondContact SG-CA 3.4Å; C68-C77 WeakPolarHBondContact SG-CB 3.31Å; C68-C77 CovalentContact SG-SG 2.03Å; C68-C77 PolarHBondContact SG-SG 3Å; C68-S107 WeakPolarHBondContact O-CA 3.31Å; C68-A108 PolarHBondContact N-O 3.03Å; C68-A108 PolarHBondContact O-N 2.8Å
69Q98Very high91.7Very high171 Ų17182.6 Ų82.680%0.79943%0.425SS*.EExtended strand (participates in β ladder)trans-120.7127.1-177.4-171.117221.400110.8L71Q69-L71 VanDerWaalsContact C-N 3.31Å; Q69-L71 PolarHBondContact O-N 2.86Å
70S96.7Very high93.9Very high73 Ų7383 Ų8351%0.5142%0.416SS..EExtended strand (participates in β ladder)trans51.543.8168.7-1680000114.6H106 S107S70-H106 PolarHBondContact N-O 3.22Å; S70-S107 PolarHBondContact N-OG 3.04Å
71L98.1Very high95.4Very high31 Ų3182.8 Ų82.816%0.16242%0.415CS..EExtended strand (participates in β ladder)trans-70.6146.9173.5-63.9-175.1000110.7C68 Q69 E75 C77 T105 H106C68-L71 HydrophobicContact CB-CD1 3.57Å; C68-L71 HydrophobicContact CB-CD2 4.45Å; C68-L71 HydrophobicContact CB-CG 3.87Å; Q69-L71 VanDerWaalsContact C-N 3.31Å; Q69-L71 PolarHBondContact O-N 2.86Å; L71-E75 WeakPolarHBondContact CA-OE2 3.42Å; L71-E75 HydrophobicContact CB-CB 4.04Å; L71-E75 WeakPolarHBondContact CD2-OE2 2.94Å; L71-C77 HydrophobicContact CD1-CB 3.77Å; L71-T105 CarbonylContact O-C 3.51Å; L71-T105 WeakPolarHBondContact O-CA 3.43Å; L71-H106 VanDerWaalsContact CB-CE1 3.4Å; L71-H106 WeakPolarHBondContact CB-CE1 3.45Å; L71-H106 PolarHBondContact N-O 3.44Å; L71-H106 PolarHBondContact O-N 2.89Å; L71-H106 PolarHBondContact O-ND1 2.83Å
72S96.6Very high96.7Very high40 Ų4079.2 Ų79.228%0.2840%0.395SS..EExtended strand (participates in β ladder)trans-67.8165.1172.672.70000111.3D74 E75 H106S72-D74 VanDerWaalsContact C-N 3.26Å; S72-D74 PolarHBondContact O-N 3.28Å; S72-E75 PolarHBondContact N-OE2 3.11Å; S72-E75 PolarHBondContact O-N 3.26Å; S72-E75 VanDerWaalsContact OG-CG 3.23Å; S72-E75 WeakPolarHBondContact OG-CG 3.05Å; S72-E75 PolarHBondContact OG-OE1 2Å; S72-E75 PolarHBondContact OG-OE2 2.87Å; S72-H106 PolarHBondContact O-CE1 3.32Å; S72-H106 PolarHBondContact O-ND1 3.24Å; S72-H106 VanDerWaalsContact O-ND1 3.12Å
73R95.6Very high97.2Very high113 Ų11374.8 Ų74.843%0.42637%0.373SS..THydrogen-bonded Turntrans-51.9-42.5-175.7-172.9175.6167-89.86.5113.9T104 W141 Q142R73-T104 PolarHBondContact N-O 2.84Å; R73-T104 VanDerWaalsContact N-O 3.11Å; R73-W141 HydrophobicContact CG-CD2 4.37Å; R73-W141 HydrophobicContact CG-CZ2 4.05Å; R73-W141 PolarHBondContact O-NE1 3.34Å; R73-Q142 PolarHBondContact O-NE2 3.39Å
74D94.8Very high97.1Very high113 Ų11377.6 Ų77.660%0.60440%0.395SS*.THydrogen-bonded Turntrans-96.2-4.5-170.5-52.3-41.6000112.3S72S72-D74 VanDerWaalsContact C-N 3.26Å; S72-D74 PolarHBondContact O-N 3.28Å
75E96.7Very high96.9Very high92 Ų9279 Ų7943%0.4341%0.406SS..PPolyproline II helixtrans-76.3139.2171.2-82161.6-152.800111.3L71 S72 H106 Q142L71-E75 WeakPolarHBondContact CA-OE2 3.42Å; L71-E75 HydrophobicContact CB-CB 4.04Å; L71-E75 WeakPolarHBondContact CD2-OE2 2.94Å; S72-E75 PolarHBondContact N-OE2 3.11Å; S72-E75 PolarHBondContact O-N 3.26Å; S72-E75 VanDerWaalsContact OG-CG 3.23Å; S72-E75 WeakPolarHBondContact OG-CG 3.05Å; S72-E75 PolarHBondContact OG-OE1 2Å; S72-E75 PolarHBondContact OG-OE2 2.87Å; E75-H106 PolarHBondContact O-CE1 2.89Å; E75-H106 PolarHBondContact O-NE2 2.97Å; E75-Q142 PolarHBondContact O-NE2 3.45Å
76H95.6Very high96.5Very high117 Ų11782.1 Ų82.154%0.54244%0.437SS..PPolyproline II helixtrans-102.3135.7175.8-72.4-93.3000110.7N78 Q142H76-N78 PolarHBondContact O-N 3.03Å; H76-Q142 PolarHBondContact ND1-OE1 2.66Å; H76-Q142 VanDerWaalsContact ND1-OE1 3.17Å
77C97.3Very high96.4Very high13 Ų1381 Ų819%0.08843%0.434CS..PPolyproline II helixtrans-76.2119.7172.3-175.30000110.5Y66 C68 L71Y66-C77 HydrophobicContact CD1-CB 4.13Å; Y66-C77 VanDerWaalsContact CD1-O 3.23Å; Y66-C77 WeakPolarHBondContact CD1-O 3.29Å; Y66-C77 WeakPolarHBondContact CE1-O 3.38Å; Y66-C77 HydrophobicContact CG-CB 4.37Å; C68-C77 HydrophobicContact CB-CB 3.76Å; C68-C77 WeakPolarHBondContact CB-SG 2.99Å; C68-C77 WeakPolarHBondContact SG-CA 3.4Å; C68-C77 WeakPolarHBondContact SG-CB 3.31Å; C68-C77 CovalentContact SG-SG 2.03Å; C68-C77 PolarHBondContact SG-SG 3Å; L71-C77 HydrophobicContact CD1-CB 3.77Å
78N96.4Very high96.4Very high142 Ų14279.6 Ų79.676%0.75943%0.427SS*.  trans-106.9-0.5177.8-64.4-36.4000113.2H76H76-N78 PolarHBondContact O-N 3.03Å
79L98.2Very high96.4Very high112 Ų11278.7 Ų78.759%0.58642%0.42SS*.  trans-94127.2-179.4-62.4177.3000109.7Y66 T67Y66-L79 CarbonylContact C-O 3.56Å; Y66-L79 VanDerWaalsContact CA-O 3.31Å; Y66-L79 WeakPolarHBondContact CA-O 2.93Å; Y66-L79 WeakPolarHBondContact CD1-O 3.38Å; T67-L79 PolarHBondContact N-O 2.88Å; T67-L79 WeakPolarHBondContact O-CB 3.35Å
80T98.1Very high96.4Very high69 Ų6970.7 Ų70.742%0.42338%0.383SS..EExtended strand (participates in β ladder)trans-123.1151.8178.663.60000110.5C65 Y66 L135C65-T80 WeakPolarHBondContact O-CA 3.27Å; Y66-T80 HydrophobicContact CD1-CG2 3.77Å; Y66-T80 HydrophobicContact CE1-CG2 3.71Å; T80-L135 HydrophobicContact CG2-CD2 3.55Å
81R97.3Very high96.5Very high171 Ų17167.3 Ų67.365%0.64536%0.359SS*.EExtended strand (participates in β ladder)trans-144.6147178.6-164.2-178.1-177.5161.32.7110.5W64 C65 T67W64-R81 WeakPolarHBondContact CA-O 3.4Å; C65-R81 PolarHBondContact N-O 2.89Å; C65-R81 PolarHBondContact O-N 3.35Å; T67-R81 HydrophobicContact CG2-CB 3.52Å
82S97.1Very high96.5Very high53 Ų5368.1 Ų68.137%0.37136%0.364SS..EExtended strand (participates in β ladder)trans-73.8133.1165.356.10000110.5
83C96.8Very high96.6Very high12 Ų1267 Ų678%0.08135%0.354CS..PPolyproline II helixtrans-91.1154.5176.1-51.70000111.3L63 C65 Q87 C110L63-C83 HydrophobicContact CB-CB 4.33Å; L63-C83 PolarHBondContact O-N 2.85Å; C65-C83 PolarHBondContact SG-SG 2.84Å; C83-Q87 HydrophobicContact CB-CB 3.92Å; C83-C110 VanDerWaalsContact CA-SG 3.51Å; C83-C110 HydrophobicContact CB-CB 3.69Å; C83-C110 WeakPolarHBondContact CB-SG 3.26Å; C83-C110 WeakPolarHBondContact SG-CB 3.23Å; C83-C110 CovalentContact SG-SG 2.04Å; C83-C110 PolarHBondContact SG-SG 3.34Å
84S95.2Very high96.7Very high80 Ų8062.5 Ų62.556%0.55934%0.342SS*.PPolyproline II helixtrans-67.1159.9170.4-58.70000111.2G86 Q87S84-G86 PolarHBondContact O-N 3.35Å; S84-Q87 WeakPolarHBondContact O-CB 3.25Å; S84-Q87 PolarHBondContact O-N 2.79Å
85H92.4Very high96.9Very high142 Ų14260.2 Ų60.266%0.65733%0.327SS*.THydrogen-bonded Turntrans-59.8130.7179.2179.4-90.4000111.7R60 Q87R60-H85 PolarHBondContact NH1-CE1 2.84Å; R60-H85 PolarHBondContact NH1-NE2 3.11Å; R60-H85 VanDerWaalsContact NH1-NE2 3.15Å; H85-Q87 VanDerWaalsContact C-N 3.33Å
86G90.9Very high96.8Very high64 Ų6456.2 Ų56.266%0.6631%0.311SS*.THydrogen-bonded Turntrans88.6-7.3179.600000114.7S84S84-G86 PolarHBondContact O-N 3.35Å
87Q96.3Very high96.8Very high34 Ų3456.6 Ų56.616%0.15932%0.317CS..  trans-75.2158.5174.4-65.1-171.2-38.400112.2L63 C83 S84 H85 T111 D112L63-Q87 VanDerWaalsContact CD2-O 3.27Å; L63-Q87 WeakPolarHBondContact CD2-O 3.33Å; C83-Q87 HydrophobicContact CB-CB 3.92Å; S84-Q87 WeakPolarHBondContact O-CB 3.25Å; S84-Q87 PolarHBondContact O-N 2.79Å; H85-Q87 VanDerWaalsContact C-N 3.33Å; Q87-T111 CarbonylContact C-O 3.57Å; Q87-T111 VanDerWaalsContact CA-O 3.23Å; Q87-T111 WeakPolarHBondContact CA-O 3.23Å; Q87-T111 WeakPolarHBondContact CB-O 3.23Å; Q87-D112 VanDerWaalsContact CG-OD1 3.23Å; Q87-D112 WeakPolarHBondContact CG-OD1 3.38Å; Q87-D112 PolarHBondContact NE2-OD1 2.89Å
88A97.3Very high96.5Very high10 Ų1059.1 Ų59.18%0.08333%0.332CS..EExtended strand (participates in β ladder)trans-119.5158.5171.900000110.6C110 T111 C114 Q132A88-C110 WeakPolarHBondContact O-CA 3.24Å; A88-T111 PolarHBondContact N-O 3.42Å; A88-T111 PolarHBondContact O-N 3.01Å; A88-C114 HydrophobicContact CB-CB 4.16Å; A88-Q132 HydrophobicContact CB-CG 4.33Å
89C98.4Very high96.2Very high0 Ų062.4 Ų62.40%034%0.342CS..EExtended strand (participates in β ladder)trans-78.8136.7168.4-51.60000109.9C65 C130 C131 C136 N137C65-C89 HydrophobicContact CB-CB 3.72Å; C65-C89 WeakPolarHBondContact CB-SG 2.99Å; C65-C89 WeakPolarHBondContact SG-CA 3.17Å; C65-C89 WeakPolarHBondContact SG-CB 3.39Å; C65-C89 CovalentContact SG-SG 2.01Å; C65-C89 PolarHBondContact SG-SG 3.12Å; C89-C130 WeakPolarHBondContact O-CA 3.23Å; C89-C131 PolarHBondContact N-O 3.15Å; C89-C131 PolarHBondContact O-N 3.42Å; C89-C136 WeakPolarHBondContact CB-SG 3.23Å; C89-N137 HydrophobicContact CB-CB 3.6Å
90T98.7Very high95.9Very high3 Ų363 Ų632%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-119141.8177.6-57.80000110.4A108 W109 T111 C114 T128 T129 N137T90-A108 VanDerWaalsContact O-CA 3.3Å; T90-A108 WeakPolarHBondContact O-CA 3.49Å; T90-W109 HydrophobicContact CG2-CD2 4.46Å; T90-W109 HydrophobicContact CG2-CH2 4.04Å; T90-W109 HydrophobicContact CG2-CZ2 3.68Å; T90-W109 PolarHBondContact N-O 3.49Å; T90-W109 PolarHBondContact O-N 2.95Å; T90-W109 VanDerWaalsContact O-N 3.15Å; T90-T111 WeakPolarHBondContact OG1-CG2 3.27Å; T90-C114 PolarHBondContact OG1-SG 3.17Å; T90-T128 HydrophobicContact CG2-CG2 3.7Å; T90-T129 WeakPolarHBondContact CA-O 3.37Å; T90-N137 PolarHBondContact O-ND2 3.26Å
91T98.6Very high95.6Very high2 Ų261.3 Ų61.31%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-119135.2161.7-45.70000108.3I93 S107 T128 T129 N137 P139T91-I93 HydrophobicContact CG2-CD1 4.44Å; T91-I93 HydrophobicContact CG2-CG1 4.11Å; T91-S107 CarbonylContact C-O 3.54Å; T91-S107 WeakPolarHBondContact CA-O 3.46Å; T91-T128 CarbonylContact O-C 3.56Å; T91-T128 VanDerWaalsContact O-CA 3.29Å; T91-T128 WeakPolarHBondContact O-CA 3.34Å; T91-T129 WeakPolarHBondContact CB-OG1 3.07Å; T91-T129 PolarHBondContact N-O 2.03Å; T91-T129 PolarHBondContact O-N 2.96Å; T91-N137 VanDerWaalsContact OG1-CA 3.25Å; T91-N137 WeakPolarHBondContact OG1-CA 3.37Å; T91-N137 VanDerWaalsContact OG1-CB 3.26Å; T91-N137 WeakPolarHBondContact OG1-CB 2.98Å; T91-N137 PolarHBondContact OG1-O 3.19Å; T91-P139 HydrophobicContact CG2-CG 4.45Å
92L98.6Very high95.4Very high48 Ų4858.4 Ų58.425%0.25135%0.349SS..EExtended strand (participates in β ladder)trans-119.4125.6168.3-178.6154.4000108.9A94 H106 S107 W109 V126 T127L92-A94 HydrophobicContact CD2-CB 4.48Å; L92-H106 CarbonylContact O-C 3.24Å; L92-H106 VanDerWaalsContact O-CA 3.24Å; L92-H106 WeakPolarHBondContact O-CA 3.3Å; L92-S107 PolarHBondContact N-O 3.23Å; L92-S107 PolarHBondContact O-N 2Å; L92-W109 HydrophobicContact CB-CH2 3.39Å; L92-W109 HydrophobicContact CB-CZ3 3.66Å; L92-W109 HydrophobicContact CD1-CH2 3.91Å; L92-W109 HydrophobicContact CG-CH2 4.28Å; L92-V126 HydrophobicContact CD1-CG1 4.04Å; L92-V126 HydrophobicContact CD2-CG1 4.08Å; L92-V126 HydrophobicContact CG-CG1 3.91Å; L92-T127 CarbonylContact C-O 3.57Å; L92-T127 WeakPolarHBondContact CA-O 3.45Å
93I98.5Very high95.4Very high16 Ų1659.8 Ų59.88%0.08235%0.352CS..EExtended strand (participates in β ladder)trans-114.2124.6178.5-62.9163.1000107.1T91 T104 T105 H106 V126 T127 P139 P140 W141T91-I93 HydrophobicContact CG2-CD1 4.44Å; T91-I93 HydrophobicContact CG2-CG1 4.11Å; I93-T104 HydrophobicContact CG2-CG2 4Å; I93-T105 WeakPolarHBondContact CA-O 2.96Å; I93-H106 HydrophobicContact CG1-CB 4.17Å; I93-V126 CarbonylContact O-C 3.51Å; I93-V126 VanDerWaalsContact O-CA 3.31Å; I93-V126 WeakPolarHBondContact O-CA 3.33Å; I93-T127 PolarHBondContact N-O 2.01Å; I93-T127 PolarHBondContact O-N 2.96Å; I93-P139 HydrophobicContact CD1-CB 4.5Å; I93-P140 HydrophobicContact CD1-CG 4.37Å; I93-W141 HydrophobicContact CB-CH2 4.45Å; I93-W141 HydrophobicContact CD1-CH2 3.84Å; I93-W141 HydrophobicContact CD1-CZ3 3.8Å; I93-W141 HydrophobicContact CG1-CH2 3.91Å; I93-W141 HydrophobicContact CG1-CZ3 4.35Å; I93-W141 HydrophobicContact CG2-CH2 3.71Å; I93-W141 HydrophobicContact CG2-CZ3 4.05Å
94A98.1Very high95.4Very high20 Ų2060.1 Ų60.117%0.16535%0.354CS..EExtended strand (participates in β ladder)trans-111.1128.8170.400000108.7L92 T104 T105 T124 Q125 V126L92-A94 HydrophobicContact CD2-CB 4.48Å; A94-T104 CarbonylContact O-C 3.46Å; A94-T104 VanDerWaalsContact O-CA 3.31Å; A94-T104 WeakPolarHBondContact O-CA 3.47Å; A94-T105 PolarHBondContact N-O 3.26Å; A94-T105 PolarHBondContact O-N 3.02Å; A94-T124 HydrophobicContact CB-CG2 4.07Å; A94-Q125 CarbonylContact C-O 3.57Å; A94-Q125 WeakPolarHBondContact CA-O 3.47Å; A94-V126 HydrophobicContact CB-CG2 4.45Å
95H97.8Very high95.5Very high65 Ų6557.8 Ų57.830%0.30134%0.336SS..EExtended strand (participates in β ladder)trans-132.6116-178.2-178.674.4000108.9L103 T104 T124 Q125H95-L103 WeakPolarHBondContact CA-O 3.29Å; H95-T104 HydrophobicContact CB-CG2 4.46Å; H95-T104 PolarHBondContact ND1-OG1 3.15Å; H95-T124 CarbonylContact O-C 3.53Å; H95-Q125 PolarHBondContact N-O 3.36Å; H95-Q125 PolarHBondContact O-N 2.89Å
96G95.8Very high95.8Very high8 Ų851.1 Ų51.18%0.08231%0.305CS..EExtended strand (participates in β ladder)trans-169169.3-173.900000112.8L103G96-L103 PolarHBondContact N-O 3.4Å; G96-L103 PolarHBondContact O-N 3Å
97N95.4Very high96.2Very high125 Ų12549 Ų4967%0.66828%0.28SS*.EExtended strand (participates in β ladder)trans-81.5140.5175.1-76.4-25.2000110.9L102N97-L102 WeakPolarHBondContact OD1-CD1 3.48Å
98T90.4Very high96.3Very high66 Ų6647.6 Ų47.641%0.40527%0.274SS..EExtended strand (participates in β ladder)trans-122.9175171.467.40000109S100 G101 L103T98-S100 PolarHBondContact O-N 2.86Å; T98-S100 PolarHBondContact OG1-N 3.3Å; T98-G101 PolarHBondContact N-O 2.83Å; T98-G101 PolarHBondContact O-N 2.92Å; T98-G101 PolarHBondContact OG1-O 2.85Å; T98-L103 HydrophobicContact CG2-CB 3.77Å; T98-L103 HydrophobicContact CG2-CD2 3.92Å
99E91.3Very high96.4Very high210 Ų21051.5 Ų51.598%0.98129%0.287SS*.THydrogen-bonded Turntrans-56.6-30.1173.4-62.6-178172.500112.4G101E99-G101 VanDerWaalsContact C-N 3.31Å
100S90.1Very high96.4Very high126 Ų12652.7 Ų52.788%0.88130%0.295SS*.THydrogen-bonded Turntrans-87.34.5178.4-54.70000113.7T98T98-S100 PolarHBondContact O-N 2.86Å; T98-S100 PolarHBondContact OG1-N 3.3Å
101G92.8Very high96.3Very high32 Ų3254 Ų5433%0.3330%0.303SS..EExtended strand (participates in β ladder)trans104.6-164-176.800000113.9T98 E99 L103T98-G101 PolarHBondContact N-O 2.83Å; T98-G101 PolarHBondContact O-N 2.92Å; T98-G101 PolarHBondContact OG1-O 2.85Å; E99-G101 VanDerWaalsContact C-N 3.31Å; G101-L103 PolarHBondContact O-N 3.15Å
102L94Very high96.2Very high111 Ų11159.4 Ų59.458%0.58133%0.332SS*.EExtended strand (participates in β ladder)trans-69.6121.3-177.3-170.470.8000110.6N97N97-L102 WeakPolarHBondContact OD1-CD1 3.48Å
103L95.7Very high96.1Very high82 Ų8262.8 Ų62.843%0.42935%0.35SS..EExtended strand (participates in β ladder)trans-119.9139.7-178.5-175.764.7000110.5H95 G96 T98 G101 T105H95-L103 WeakPolarHBondContact CA-O 3.29Å; G96-L103 PolarHBondContact N-O 3.4Å; G96-L103 PolarHBondContact O-N 3Å; T98-L103 HydrophobicContact CG2-CB 3.77Å; T98-L103 HydrophobicContact CG2-CD2 3.92Å; G101-L103 PolarHBondContact O-N 3.15Å; L103-T105 HydrophobicContact CD2-CG2 4.01Å; L103-T105 HydrophobicContact CG-CG2 4.08Å
104T97.7Very high96Very high19 Ų1963.4 Ų63.412%0.11736%0.356CS..EExtended strand (participates in β ladder)trans-121.4124.3169.3-47.80000109.1R73 I93 A94 H95 W141R73-T104 PolarHBondContact N-O 2.84Å; R73-T104 VanDerWaalsContact N-O 3.11Å; I93-T104 HydrophobicContact CG2-CG2 4Å; A94-T104 CarbonylContact O-C 3.46Å; A94-T104 VanDerWaalsContact O-CA 3.31Å; A94-T104 WeakPolarHBondContact O-CA 3.47Å; H95-T104 HydrophobicContact CB-CG2 4.46Å; H95-T104 PolarHBondContact ND1-OG1 3.15Å; T104-W141 HydrophobicContact CG2-CH2 3.8Å; T104-W141 HydrophobicContact CG2-CZ2 4.28Å; T104-W141 HydrophobicContact CG2-CZ3 4.4Å
105T97.8Very high95.9Very high30 Ų3068.9 Ų68.918%0.18438%0.378CS..EExtended strand (participates in β ladder)trans-120.7152.8173.859.50000110.5L71 I93 A94 L103L71-T105 CarbonylContact O-C 3.51Å; L71-T105 WeakPolarHBondContact O-CA 3.43Å; I93-T105 WeakPolarHBondContact CA-O 2.96Å; A94-T105 PolarHBondContact N-O 3.26Å; A94-T105 PolarHBondContact O-N 3.02Å; L103-T105 HydrophobicContact CD2-CG2 4.01Å; L103-T105 HydrophobicContact CG-CG2 4.08Å
106H98.3Very high95.9Very high2 Ų270.3 Ų70.31%0.00939%0.393CS..EExtended strand (participates in β ladder)trans-136.8148.1174.469.4-76.6000112.4S70 L71 S72 E75 L92 I93 P139 W141S70-H106 PolarHBondContact N-O 3.22Å; L71-H106 VanDerWaalsContact CB-CE1 3.4Å; L71-H106 WeakPolarHBondContact CB-CE1 3.45Å; L71-H106 PolarHBondContact N-O 3.44Å; L71-H106 PolarHBondContact O-N 2.89Å; L71-H106 PolarHBondContact O-ND1 2.83Å; S72-H106 PolarHBondContact O-CE1 3.32Å; S72-H106 PolarHBondContact O-ND1 3.24Å; S72-H106 VanDerWaalsContact O-ND1 3.12Å; E75-H106 PolarHBondContact O-CE1 2.89Å; E75-H106 PolarHBondContact O-NE2 2.97Å; L92-H106 CarbonylContact O-C 3.24Å; L92-H106 VanDerWaalsContact O-CA 3.24Å; L92-H106 WeakPolarHBondContact O-CA 3.3Å; I93-H106 HydrophobicContact CG1-CB 4.17Å; H106-P139 HydrophobicContact CB-CG 4.02Å; H106-P139 WeakPolarHBondContact CD2-CG 3.32Å; H106-W141 HydrophobicContact CB-CZ2 4.45Å
107S98.7Very high96Very high19 Ų1973.2 Ų73.213%0.13341%0.406CS..EExtended strand (participates in β ladder)trans-133.3151.2178.6-66.20000109C68 S70 T91 L92C68-S107 WeakPolarHBondContact O-CA 3.31Å; S70-S107 PolarHBondContact N-OG 3.04Å; T91-S107 CarbonylContact C-O 3.54Å; T91-S107 WeakPolarHBondContact CA-O 3.46Å; L92-S107 PolarHBondContact N-O 3.23Å; L92-S107 PolarHBondContact O-N 2Å
108A98.5Very high96.2Very high5 Ų571.3 Ų71.34%0.04140%0.399CS..EExtended strand (participates in β ladder)trans-141.2136.4-175.800000110Y66 T67 C68 T90 N137Y66-A108 CarbonylContact O-C 3.57Å; Y66-A108 VanDerWaalsContact O-C 3.24Å; Y66-A108 WeakPolarHBondContact O-CB 3.39Å; T67-A108 CarbonylContact C-O 3.55Å; T67-A108 WeakPolarHBondContact CA-O 3.4Å; C68-A108 PolarHBondContact N-O 3.03Å; C68-A108 PolarHBondContact O-N 2.8Å; T90-A108 VanDerWaalsContact O-CA 3.3Å; T90-A108 WeakPolarHBondContact O-CA 3.49Å; A108-N137 WeakPolarHBondContact CB-ND2 3.45Å
109W98.6Very high96.5Very high92 Ų9274.4 Ų74.435%0.34841%0.406SS..EExtended strand (participates in β ladder)trans-163.7170.8177.662.9101.9000113Y66 T90 L92Y66-W109 PolarHBondContact O-N 2.86Å; T90-W109 HydrophobicContact CG2-CD2 4.46Å; T90-W109 HydrophobicContact CG2-CH2 4.04Å; T90-W109 HydrophobicContact CG2-CZ2 3.68Å; T90-W109 PolarHBondContact N-O 3.49Å; T90-W109 PolarHBondContact O-N 2.95Å; T90-W109 VanDerWaalsContact O-N 3.15Å; L92-W109 HydrophobicContact CB-CH2 3.39Å; L92-W109 HydrophobicContact CB-CZ3 3.66Å; L92-W109 HydrophobicContact CD1-CH2 3.91Å; L92-W109 HydrophobicContact CG-CH2 4.28Å
110C98.3Very high96.8Very high25 Ų2568.9 Ų68.917%0.16939%0.387CS..EExtended strand (participates in β ladder)trans-84.8134.9167.2-55.10000110.2C83 A88C83-C110 VanDerWaalsContact CA-SG 3.51Å; C83-C110 HydrophobicContact CB-CB 3.69Å; C83-C110 WeakPolarHBondContact CB-SG 3.26Å; C83-C110 WeakPolarHBondContact SG-CB 3.23Å; C83-C110 CovalentContact SG-SG 2.04Å; C83-C110 PolarHBondContact SG-SG 3.34Å; A88-C110 WeakPolarHBondContact O-CA 3.24Å
111T97.8Very high97.1Very high31 Ų3167 Ų6719%0.1937%0.37CS..EExtended strand (participates in β ladder)trans-136147.6174.9-162.20000112.2Q87 A88 T90 C114Q87-T111 CarbonylContact C-O 3.57Å; Q87-T111 VanDerWaalsContact CA-O 3.23Å; Q87-T111 WeakPolarHBondContact CA-O 3.23Å; Q87-T111 WeakPolarHBondContact CB-O 3.23Å; A88-T111 PolarHBondContact N-O 3.42Å; A88-T111 PolarHBondContact O-N 3.01Å; T90-T111 WeakPolarHBondContact OG1-CG2 3.27Å; T111-C114 HydrophobicContact CG2-CB 3.51Å
112D96.6Very high97.2Very high116 Ų11674.8 Ų74.862%0.6240%0.398SS*.SBendtrans-71-35.7177-51.9-70.6000112.3Q87Q87-D112 VanDerWaalsContact CG-OD1 3.23Å; Q87-D112 WeakPolarHBondContact CG-OD1 3.38Å; Q87-D112 PolarHBondContact NE2-OD1 2.89Å
113N95.1Very high97.2Very high119 Ų11972.5 Ų72.564%0.63640%0.401SS*.SBendtrans-133.5100.6-176-161.763.8000110.6
114C97Very high97.2Very high29 Ų2970.7 Ų70.720%0.19639%0.394CS..  trans-102.6119.9-178.1-160.30000110.6A88 T90 T111 C130A88-C114 HydrophobicContact CB-CB 4.16Å; T90-C114 PolarHBondContact OG1-SG 3.17Å; T111-C114 HydrophobicContact CG2-CB 3.51Å; C114-C130 HydrophobicContact CB-CB 3.66Å; C114-C130 WeakPolarHBondContact CB-SG 3.12Å; C114-C130 VanDerWaalsContact SG-CA 3.54Å; C114-C130 WeakPolarHBondContact SG-CB 3.49Å; C114-C130 CovalentContact SG-SG 2Å; C114-C130 PolarHBondContact SG-SG 2.78Å
115Q97.2Very high97.3Very high135 Ų13574.1 Ų74.163%0.63141%0.408SS*.  trans-114.6111.3173.6-70.3-174.4-8.800109.4I117Q115-I117 PolarHBondContact O-N 3.17Å
116P97.4Very high97.3Very high95 Ų9574.4 Ų74.462%0.61741%0.41SS*.  trans-62.4128.2174.9-1930.1000110.1T128 C130P116-T128 VanDerWaalsContact CA-O 3.27Å; P116-T128 WeakPolarHBondContact CA-O 3.36Å; P116-C130 VanDerWaalsContact CD-SG 3.56Å; P116-C130 HydrophobicContact CG-CB 4.04Å
117I98Very high97.3Very high68 Ų6875.6 Ų75.635%0.34942%0.417SS..EExtended strand (participates in β ladder)trans-154.2144.4-177.9-166161.6000111.2Q115 K119 T127 T128Q115-I117 PolarHBondContact O-N 3.17Å; I117-K119 HydrophobicContact CD1-CD 3.6Å; I117-K119 VanDerWaalsContact CD1-CE 3.41Å; I117-K119 HydrophobicContact CD1-CG 4.06Å; I117-K119 HydrophobicContact CG1-CD 4.08Å; I117-K119 HydrophobicContact CG1-CG 3.98Å; I117-T127 CarbonylContact O-C 3.56Å; I117-T127 WeakPolarHBondContact O-CA 3.04Å; I117-T128 PolarHBondContact N-O 2.88Å; I117-T128 PolarHBondContact O-N 3Å
118T98.1Very high97.3Very high85 Ų8575.8 Ų75.852%0.52142%0.418SS..EExtended strand (participates in β ladder)trans-123.5122.2167.5-62.10000108.1Q125 V126 T127T118-Q125 HydrophobicContact CG2-CG 4.13Å; T118-V126 WeakPolarHBondContact CA-O 3.03Å; T118-T127 WeakPolarHBondContact CG2-OG1 3.06Å; T118-T127 WeakPolarHBondContact OG1-CG2 3.21Å; T118-T127 PolarHBondContact OG1-OG1 2.79Å
119K97.9Very high97.3Very high131 Ų13178.4 Ų78.457%0.5743%0.433SS*.EExtended strand (participates in β ladder)trans-142.4153.5179.5-83-179.9171.4166.80110.2I117 V126I117-K119 HydrophobicContact CD1-CD 3.6Å; I117-K119 VanDerWaalsContact CD1-CE 3.41Å; I117-K119 HydrophobicContact CD1-CG 4.06Å; I117-K119 HydrophobicContact CG1-CD 4.08Å; I117-K119 HydrophobicContact CG1-CG 3.98Å; K119-V126 PolarHBondContact N-O 3.11Å; K119-V126 PolarHBondContact O-N 3.21Å; K119-V126 VanDerWaalsContact O-O 3.11Å
120T97.6Very high97.3Very high95 Ų9576 Ų7658%0.58343%0.43SS*.EExtended strand (participates in β ladder)trans-103.2124.5170.7-54.30000108.8T124T120-T124 CarbonylContact C-O 3.52Å; T120-T124 WeakPolarHBondContact CA-O 3.45Å
121V95.6Very high97.2Very high85 Ų8576 Ų7652%0.51543%0.43SS..EExtended strand (participates in β ladder)trans-121.4120.1178.1-176.70000107.3G123 T124V121-G123 PolarHBondContact O-N 3.08Å; V121-G123 VanDerWaalsContact O-N 3.09Å; V121-T124 PolarHBondContact N-O 3.46Å; V121-T124 WeakPolarHBondContact O-CA 3.09Å; V121-T124 WeakPolarHBondContact O-CB 3.31Å; V121-T124 PolarHBondContact O-N 2.87Å
122E95.1Very high97.1Very high197 Ų19782.7 Ų82.792%0.92146%0.459SS*.THydrogen-bonded Turntrans50.138.4179.2-59.7-172.9149.500114T124E122-T124 VanDerWaalsContact C-N 3.27Å; E122-T124 PolarHBondContact O-N 3.31Å
123G93.6Very high97Very high62 Ų6283.7 Ų83.764%0.63946%0.458SS*.THydrogen-bonded Turntrans80.3-1-178.600000115.3V121V121-G123 PolarHBondContact O-N 3.08Å; V121-G123 VanDerWaalsContact O-N 3.09Å
124T97.3Very high97.1Very high45 Ų4581.9 Ų81.928%0.27645%0.448SS..EExtended strand (participates in β ladder)trans-98.9120.5172.8-59.70000110A94 H95 T120 V121 E122 V126A94-T124 HydrophobicContact CB-CG2 4.07Å; H95-T124 CarbonylContact O-C 3.53Å; T120-T124 CarbonylContact C-O 3.52Å; T120-T124 WeakPolarHBondContact CA-O 3.45Å; V121-T124 PolarHBondContact N-O 3.46Å; V121-T124 WeakPolarHBondContact O-CA 3.09Å; V121-T124 WeakPolarHBondContact O-CB 3.31Å; V121-T124 PolarHBondContact O-N 2.87Å; E122-T124 VanDerWaalsContact C-N 3.27Å; E122-T124 PolarHBondContact O-N 3.31Å; T124-V126 HydrophobicContact CG2-CG2 4.29Å; T124-V126 PolarHBondContact O-N 2.04Å
125Q98.1Very high97.1Very high90 Ų9083.7 Ų83.742%0.42146%0.456SS..EExtended strand (participates in β ladder)trans-75.3118.8171.4-177.7175.787.600109.5A94 H95 T118A94-Q125 CarbonylContact C-O 3.57Å; A94-Q125 WeakPolarHBondContact CA-O 3.47Å; H95-Q125 PolarHBondContact N-O 3.36Å; H95-Q125 PolarHBondContact O-N 2.89Å; T118-Q125 HydrophobicContact CG2-CG 4.13Å
126V98.1Very high97.1Very high36 Ų3678.2 Ų78.222%0.21843%0.432CS..EExtended strand (participates in β ladder)trans-109.8125.4175.2-177.30000108.7L92 I93 A94 T118 K119 T124L92-V126 HydrophobicContact CD1-CG1 4.04Å; L92-V126 HydrophobicContact CD2-CG1 4.08Å; L92-V126 HydrophobicContact CG-CG1 3.91Å; I93-V126 CarbonylContact O-C 3.51Å; I93-V126 VanDerWaalsContact O-CA 3.31Å; I93-V126 WeakPolarHBondContact O-CA 3.33Å; A94-V126 HydrophobicContact CB-CG2 4.45Å; T118-V126 WeakPolarHBondContact CA-O 3.03Å; K119-V126 PolarHBondContact N-O 3.11Å; K119-V126 PolarHBondContact O-N 3.21Å; K119-V126 VanDerWaalsContact O-O 3.11Å; T124-V126 HydrophobicContact CG2-CG2 4.29Å; T124-V126 PolarHBondContact O-N 2.04Å
127T98.6Very high97.1Very high27 Ų2773.8 Ų73.817%0.16640%0.404CS..EExtended strand (participates in β ladder)trans-122122.2176.5-630000109.9L92 I93 I117 T118 T129L92-T127 CarbonylContact C-O 3.57Å; L92-T127 WeakPolarHBondContact CA-O 3.45Å; I93-T127 PolarHBondContact N-O 2.01Å; I93-T127 PolarHBondContact O-N 2.96Å; I117-T127 CarbonylContact O-C 3.56Å; I117-T127 WeakPolarHBondContact O-CA 3.04Å; T118-T127 WeakPolarHBondContact CG2-OG1 3.06Å; T118-T127 WeakPolarHBondContact OG1-CG2 3.21Å; T118-T127 PolarHBondContact OG1-OG1 2.79Å; T127-T129 HydrophobicContact CG2-CG2 4.14Å
128T98.6Very high97.1Very high24 Ų2472.9 Ų72.915%0.14740%0.401CS..EExtended strand (participates in β ladder)trans-106.6129172.7-57.20000109.3T90 T91 P116 I117T90-T128 HydrophobicContact CG2-CG2 3.7Å; T91-T128 CarbonylContact O-C 3.56Å; T91-T128 VanDerWaalsContact O-CA 3.29Å; T91-T128 WeakPolarHBondContact O-CA 3.34Å; P116-T128 VanDerWaalsContact CA-O 3.27Å; P116-T128 WeakPolarHBondContact CA-O 3.36Å; I117-T128 PolarHBondContact N-O 2.88Å; I117-T128 PolarHBondContact O-N 3Å
129T98.4Very high97Very high60 Ų6069 Ų6937%0.36838%0.377SS..EExtended strand (participates in β ladder)trans-122.1155.5174.160.70000110.7T90 T91 T127T90-T129 WeakPolarHBondContact CA-O 3.37Å; T91-T129 WeakPolarHBondContact CB-OG1 3.07Å; T91-T129 PolarHBondContact N-O 2.03Å; T91-T129 PolarHBondContact O-N 2.96Å; T127-T129 HydrophobicContact CG2-CG2 4.14Å
130C98.1Very high96.9Very high42 Ų4265.7 Ų65.728%0.28437%0.369SS..EExtended strand (participates in β ladder)trans-134.3141.1-173-53.30000110.2C89 C114 P116C89-C130 WeakPolarHBondContact O-CA 3.23Å; C114-C130 HydrophobicContact CB-CB 3.66Å; C114-C130 WeakPolarHBondContact CB-SG 3.12Å; C114-C130 VanDerWaalsContact SG-CA 3.54Å; C114-C130 WeakPolarHBondContact SG-CB 3.49Å; C114-C130 CovalentContact SG-SG 2Å; C114-C130 PolarHBondContact SG-SG 2.78Å; P116-C130 VanDerWaalsContact CD-SG 3.56Å; P116-C130 HydrophobicContact CG-CB 4.04Å
131C97.4Very high96.7Very high24 Ų2465 Ų6516%0.16236%0.356CS..EExtended strand (participates in β ladder)trans-153.8157.9175.252.90000111.5C89 F133 C136C89-C131 PolarHBondContact N-O 3.15Å; C89-C131 PolarHBondContact O-N 3.42Å; C131-F133 HydrophobicContact CB-CD1 4.16Å; C131-F133 HydrophobicContact CB-CE1 3.84Å; C131-C136 VanDerWaalsContact C-SG 3.56Å; C131-C136 HydrophobicContact CB-CB 3.69Å; C131-C136 WeakPolarHBondContact CB-SG 3.35Å; C131-C136 WeakPolarHBondContact SG-CB 3.39Å; C131-C136 CovalentContact SG-SG 2Å; C131-C136 PolarHBondContact SG-SG 3.43Å
132Q95.8Very high96.6Very high171 Ų17162.7 Ų62.780%0.79934%0.34SS*.  trans-122.822.3-169.3-63.5179.3-1.200113.1A88A88-Q132 HydrophobicContact CB-CG 4.33Å
133F95.2Very high96.1Very high137 Ų13755.3 Ų55.360%0.60131%0.31SS*.SBendtrans-121.9158176.960-84.5000110.6L63 C131 L135 C136L63-F133 VanDerWaalsContact CD1-C 3.45Å; C131-F133 HydrophobicContact CB-CD1 4.16Å; C131-F133 HydrophobicContact CB-CE1 3.84Å; F133-L135 PolarHBondContact O-N 2.8Å; F133-C136 HydrophobicContact CD1-CB 3.66Å; F133-C136 HydrophobicContact CD2-CB 3.29Å; F133-C136 HydrophobicContact CE1-CB 3.47Å; F133-C136 VanDerWaalsContact CE1-CB 3.47Å; F133-C136 HydrophobicContact CE2-CB 3.07Å; F133-C136 HydrophobicContact CG-CB 3.58Å; F133-C136 HydrophobicContact CZ-CB 3.18Å; F133-C136 VanDerWaalsContact O-CB 3.23Å; F133-C136 WeakPolarHBondContact O-CB 3.48Å; F133-C136 PolarHBondContact O-N 2.9Å; F133-C136 PolarHBondContact O-SG 2.86Å
134N96.8Very high94.8Very high81 Ų8158.5 Ų58.543%0.43332%0.322SS..THydrogen-bonded Turntrans-59.2132.9-174.2-70.3-27.7000111.7L62 L63 W64 C136L62-N134 PolarHBondContact O-OD1 2.8Å; L63-N134 WeakPolarHBondContact CA-OD1 3.22Å; W64-N134 PolarHBondContact N-OD1 2.81Å; W64-N134 CarbonylContact O-C 3.55Å; W64-N134 WeakPolarHBondContact O-CA 3.39Å; N134-C136 PolarHBondContact O-N 3.24Å; N134-C136 VanDerWaalsContact O-N 3.17Å
135L96.9Very high92.8Very high67 Ų6767.4 Ų67.435%0.35135%0.351SS..THydrogen-bonded Turntrans55.631.7173.2-52.1-178.8000113.5W64 Y66 T80 F133W64-L135 HydrophobicContact CB-CD2 4.12Å; W64-L135 PolarHBondContact O-N 2.99Å; Y66-L135 HydrophobicContact CD2-CB 4.28Å; Y66-L135 HydrophobicContact CD2-CD2 4.46Å; Y66-L135 HydrophobicContact CE2-CB 3.74Å; Y66-L135 HydrophobicContact CE2-CD2 4.33Å; Y66-L135 HydrophobicContact CE2-CG 4.49Å; T80-L135 HydrophobicContact CG2-CD2 3.55Å; F133-L135 PolarHBondContact O-N 2.8Å
136C96.9Very high90.5Very high20 Ų2066.6 Ų66.614%0.13535%0.352CS..  trans-81-22.2-173.863.60000115.2C89 C131 F133 N134 V138C89-C136 WeakPolarHBondContact CB-SG 3.23Å; C131-C136 VanDerWaalsContact C-SG 3.56Å; C131-C136 HydrophobicContact CB-CB 3.69Å; C131-C136 WeakPolarHBondContact CB-SG 3.35Å; C131-C136 WeakPolarHBondContact SG-CB 3.39Å; C131-C136 CovalentContact SG-SG 2Å; C131-C136 PolarHBondContact SG-SG 3.43Å; F133-C136 HydrophobicContact CD1-CB 3.66Å; F133-C136 HydrophobicContact CD2-CB 3.29Å; F133-C136 HydrophobicContact CE1-CB 3.47Å; F133-C136 VanDerWaalsContact CE1-CB 3.47Å; F133-C136 HydrophobicContact CE2-CB 3.07Å; F133-C136 HydrophobicContact CG-CB 3.58Å; F133-C136 HydrophobicContact CZ-CB 3.18Å; F133-C136 VanDerWaalsContact O-CB 3.23Å; F133-C136 WeakPolarHBondContact O-CB 3.48Å; F133-C136 PolarHBondContact O-N 2.9Å; F133-C136 PolarHBondContact O-SG 2.86Å; N134-C136 PolarHBondContact O-N 3.24Å; N134-C136 VanDerWaalsContact O-N 3.17Å; C136-V138 PolarHBondContact O-N 2.86Å
137N97.8Very high88Confident3 Ų372.3 Ų72.32%0.01638%0.376CS..  trans-82.145.7-168.860.4-31.6000113.1Y66 C89 T90 T91 A108Y66-N137 PolarHBondContact N-OD1 3.36Å; Y66-N137 PolarHBondContact O-ND2 3.46Å; C89-N137 HydrophobicContact CB-CB 3.6Å; T90-N137 PolarHBondContact O-ND2 3.26Å; T91-N137 VanDerWaalsContact OG1-CA 3.25Å; T91-N137 WeakPolarHBondContact OG1-CA 3.37Å; T91-N137 VanDerWaalsContact OG1-CB 3.26Å; T91-N137 WeakPolarHBondContact OG1-CB 2.98Å; T91-N137 PolarHBondContact OG1-O 3.19Å; A108-N137 WeakPolarHBondContact CB-ND2 3.45Å
138V97.4Very high85.1Confident48 Ų4878.7 Ų78.729%0.29141%0.409SS..  trans-91.2136.3177.1179.80000109.3Y66 C136 Q142Y66-V138 HydrophobicContact CD2-CG2 3.83Å; Y66-V138 HydrophobicContact CE2-CG2 3.54Å; C136-V138 PolarHBondContact O-N 2.86Å; V138-Q142 HydrophobicContact CG1-CB 3.62Å
139P96.7Very high82.6Confident5 Ų581.8 Ų81.83%0.03243%0.43CS..  trans-56.6149.1176-23.532.4000112.9T91 I93 H106 W141 Q142 S143T91-P139 HydrophobicContact CG2-CG 4.45Å; I93-P139 HydrophobicContact CD1-CB 4.5Å; H106-P139 HydrophobicContact CB-CG 4.02Å; H106-P139 WeakPolarHBondContact CD2-CG 3.32Å; P139-W141 VanDerWaalsContact C-N 3.31Å; P139-W141 HydrophobicContact CB-CD2 3.91Å; P139-W141 VanDerWaalsContact CB-CE2 3.5Å; P139-W141 HydrophobicContact CB-CE3 4.21Å; P139-W141 HydrophobicContact CB-CH2 3.77Å; P139-W141 HydrophobicContact CB-CZ2 3.42Å; P139-W141 VanDerWaalsContact CB-CZ2 3.42Å; P139-W141 HydrophobicContact CB-CZ3 4.15Å; P139-W141 HydrophobicContact CG-CZ2 4.01Å; P139-W141 PolarHBondContact O-N 3.48Å; P139-Q142 PolarHBondContact O-N 3.38Å; P139-S143 PolarHBondContact O-N 2.71Å; P139-S143 VanDerWaalsContact O-N 3.15Å
140P95.1Very high80.3Confident61 Ų6185.7 Ų85.740%0.39646%0.456SS..THydrogen-bonded Turntrans-59.7-38.5-172.120.6-31000113.1I93 Q142 S143 V146I93-P140 HydrophobicContact CD1-CG 4.37Å; P140-Q142 VanDerWaalsContact C-N 3.25Å; P140-Q142 PolarHBondContact O-N 3.33Å; P140-S143 PolarHBondContact O-N 3.4Å; P140-S143 PolarHBondContact O-OG 3.25Å; P140-V146 HydrophobicContact CB-CG2 3.95Å; P140-V146 WeakPolarHBondContact O-CB 3.18Å; P140-V146 WeakPolarHBondContact O-CG2 2.92Å
141W94.1Very high77.9Confident80 Ų8087.1 Ų87.130%0.30348%0.478SS..THydrogen-bonded Turntrans-70.9-16.8179.25887000114.3R73 I93 T104 H106 P139R73-W141 HydrophobicContact CG-CD2 4.37Å; R73-W141 HydrophobicContact CG-CZ2 4.05Å; R73-W141 PolarHBondContact O-NE1 3.34Å; I93-W141 HydrophobicContact CB-CH2 4.45Å; I93-W141 HydrophobicContact CD1-CH2 3.84Å; I93-W141 HydrophobicContact CD1-CZ3 3.8Å; I93-W141 HydrophobicContact CG1-CH2 3.91Å; I93-W141 HydrophobicContact CG1-CZ3 4.35Å; I93-W141 HydrophobicContact CG2-CH2 3.71Å; I93-W141 HydrophobicContact CG2-CZ3 4.05Å; T104-W141 HydrophobicContact CG2-CH2 3.8Å; T104-W141 HydrophobicContact CG2-CZ2 4.28Å; T104-W141 HydrophobicContact CG2-CZ3 4.4Å; H106-W141 HydrophobicContact CB-CZ2 4.45Å; P139-W141 VanDerWaalsContact C-N 3.31Å; P139-W141 HydrophobicContact CB-CD2 3.91Å; P139-W141 VanDerWaalsContact CB-CE2 3.5Å; P139-W141 HydrophobicContact CB-CE3 4.21Å; P139-W141 HydrophobicContact CB-CH2 3.77Å; P139-W141 HydrophobicContact CB-CZ2 3.42Å; P139-W141 VanDerWaalsContact CB-CZ2 3.42Å; P139-W141 HydrophobicContact CB-CZ3 4.15Å; P139-W141 HydrophobicContact CG-CZ2 4.01Å; P139-W141 PolarHBondContact O-N 3.48Å
142Q92.3Very high75.4Confident37 Ų3795.4 Ų95.417%0.17351%0.511CS..THydrogen-bonded Turntrans-94.5-20.6175.1-64-176.54.500111.8R73 E75 H76 V138 P139 P140 S144R73-Q142 PolarHBondContact O-NE2 3.39Å; E75-Q142 PolarHBondContact O-NE2 3.45Å; H76-Q142 PolarHBondContact ND1-OE1 2.66Å; H76-Q142 VanDerWaalsContact ND1-OE1 3.17Å; V138-Q142 HydrophobicContact CG1-CB 3.62Å; P139-Q142 PolarHBondContact O-N 3.38Å; P140-Q142 VanDerWaalsContact C-N 3.25Å; P140-Q142 PolarHBondContact O-N 3.33Å; Q142-S144 PolarHBondContact O-N 3.29Å
143S84.6Confident73.1Confident42 Ų4291.6 Ų91.629%0.29452%0.518SS..SBendtrans-72.9122.9171.377.30000109P139 P140 R145 V146P139-S143 PolarHBondContact O-N 2.71Å; P139-S143 VanDerWaalsContact O-N 3.15Å; P140-S143 PolarHBondContact O-N 3.4Å; P140-S143 PolarHBondContact O-OG 3.25Å; S143-R145 PolarHBondContact O-N 3.19Å; S143-V146 PolarHBondContact O-N 3.09Å
144S67.4Low70.8Confident129 Ų12989.1 Ų89.190%0.90252%0.523SS*.THydrogen-bonded Turntrans-60.81.3176.8550000114.5Q142Q142-S144 PolarHBondContact O-N 3.29Å
145R55.2Low68.6Low232 Ų23289.6 Ų89.688%0.87555%0.547SS*.THydrogen-bonded Turntrans-98.83.3-178.5-64.5-167.6177.2-162.80.3114.1S143 Q147S143-R145 PolarHBondContact O-N 3.19Å; R145-Q147 PolarHBondContact O-N 3.45Å
146V49.4Very low66Low73 Ų7389.6 Ų89.644%0.44256%0.563SS.*SBendtrans-93.993.7175.11760000110.4P140 S143P140-V146 HydrophobicContact CB-CG2 3.95Å; P140-V146 WeakPolarHBondContact O-CB 3.18Å; P140-V146 WeakPolarHBondContact O-CG2 2.92Å; S143-V146 PolarHBondContact O-N 3.09Å
147Q44.8Very low63.8Low155 Ų15595 Ų9572%0.72460%0.598SS**  trans11591.5158.5-64.3173.197.700116.7R145R145-Q147 PolarHBondContact O-N 3.45Å
148D37.9Very low61.6Low161 Ų161106.9 Ų106.986%0.86164%0.643SS**  -105.4123108.5-86.3-49.7000107.3
149P46.3Very low58.6Low89 Ų89108 Ų10858%0.57866%0.663SS**  trans-59.5138171-18.529.6000110.4G151P149-G151 VanDerWaalsContact C-N 3.29Å; P149-G151 PolarHBondContact O-N 2.99Å
150P49.1Very low56Low142 Ų142113.1 Ų113.192%0.92270%0.7SS**THydrogen-bonded Turntrans-73.987.9172.930-30000108.3
151G47.8Very low53.4Low73 Ų73115.5 Ų115.575%0.75372%0.716SS**THydrogen-bonded Turntrans175.616.6-176.800000118.3P149P149-G151 VanDerWaalsContact C-N 3.29Å; P149-G151 PolarHBondContact O-N 2.99Å
152K45Very low50.7Low197 Ų197120.7 Ų120.786%0.85774%0.744SS**  trans-133.753.6171.9-144164.3178-1700112.8A154K152-A154 VanDerWaalsContact C-N 3.29Å; K152-A154 PolarHBondContact O-N 2.95Å; K152-A154 VanDerWaalsContact O-N 3.13Å
153G47.8Very low48.4Very low92 Ų92125.4 Ų125.495%0.94878%0.775SS**  trans-72.387.7153.200000109.3
154A47.1Very low46.3Very low85 Ų85128 Ų12870%0.70280%0.8SS**  trans-129.8113.4158.300000106.7K152K152-A154 VanDerWaalsContact C-N 3.29Å; K152-A154 PolarHBondContact O-N 2.95Å; K152-A154 VanDerWaalsContact O-N 3.13Å
155G51.7Low45Very low91 Ų91125.4 Ų125.494%0.93879%0.793SS**  trans-55.7136.4-171.100000113.6
156G42.2Very low44.6Very low66 Ų66121.4 Ų121.468%0.6879%0.794SS**  trans-123.1143.2159.100000108.8
157P49.8Very low44.7Very low133 Ų133122.3 Ų122.386%0.86481%0.809SS**  trans-72.8138-161.8-10.927.2000112.3G159P157-G159 PolarHBondContact O-N 3.34Å
158R51.3Low44.6Very low254 Ų254122.4 Ų122.496%0.95881%0.814SS**  trans-55.8118.7162.6-77.1172.9154178.3-7.4110.2
159G35.7Very low45.3Very low70 Ų70123.1 Ų123.172%0.72282%0.817SS**  trans-130.989.3154.500000106.5P157P157-G159 PolarHBondContact O-N 3.34Å
160S42.5Very low45.4Very low114 Ų114125.7 Ų125.780%0.79783%0.825SS**  55.1110.1102.6-158.50000113.1
161C39.2Very low45.4Very low111 Ų111126.4 Ų126.475%0.7582%0.821SS**  trans-60.1129.7170.3-169.90000109.6
162E38.4Very low45.5Very low188 Ų188131 Ų13188%0.87983%0.828SS**  trans-148.9116.7154.5-117.7171.413700110.9
163T42.8Very low45.9Very low136 Ų136130.1 Ų130.183%0.83483%0.831SS**  trans-74.7115.2170.7-49.10000108.9
164A41Very low45.8Very low98 Ų98131 Ų13181%0.8183%0.83SS**  trans-162.3112158.700000106.3
165G40Very low45.9Very low73 Ų73130.5 Ų130.575%0.75383%0.833SS**  103.692.772.800000107.1A167G165-A167 PolarHBondContact O-N 3.15Å
166T46.9Very low45.9Very low148 Ų148134.7 Ų134.791%0.90883%0.833SS**  trans-42.2121.8166.636.10000111.9
167A51.3Low46Very low92 Ų92134.9 Ų134.976%0.7684%0.835SS**  trans-178.9153.4137.900000112.3G165G165-A167 PolarHBondContact O-N 3.15Å
168L42.9Very low45.9Very low158 Ų158133.4 Ų133.483%0.82783%0.834SS**  trans98.667.2156.4-123.181.7000117.9
169L51.8Low45.8Very low175 Ų175130.1 Ų130.192%0.91683%0.832SS**  trans-77.7112.8143.7-83.9162.7000108.4
170L49.8Very low46.4Very low144 Ų144130.7 Ų130.775%0.75484%0.838SS**  trans-164.1142.1156.6-98.7165000109.1
171N48.1Very low46.7Very low156 Ų156130.2 Ų130.283%0.83484%0.84SS**  trans101.665.5174.1-51.9-54.2000116.8
172L50.6Low47.1Very low170 Ų170128.6 Ų128.689%0.8984%0.843SS**  trans-98.2134.8136.9-92.4105.5000108.4
173L52.8Low47.8Very low178 Ų178131.1 Ų131.193%0.93284%0.844SS**  trans113.385.8169.9-62.3163.9000114.5
174A46.4Very low48.8Very low111 Ų111133.7 Ų133.792%0.91786%0.863SS**  trans179.4121.6132.300000109.3
175G49.4Very low49.2Very low75 Ų75135.5 Ų135.577%0.77387%0.866SS**  trans167.257.4174.100000114.1G177G175-G177 PolarHBondContact O-N 3.28Å
176L50.8Low49.7Very low179 Ų179138.8 Ų138.894%0.93787%0.872SS**  trans-45.6122.6166.8-98.366.7000110.9A178L176-A178 PolarHBondContact O-N 2.8Å
177G44.7Very low49.8Very low70 Ų70138.3 Ų138.372%0.72287%0.87SS**  trans-69.1120.8169.200000111G175G175-G177 PolarHBondContact O-N 3.28Å
178A47Very low49.7Very low101 Ų101141 Ų14184%0.83588%0.876SS**  trans-80.3119.8161.500000108.7L176L176-A178 PolarHBondContact O-N 2.8Å
179M50.1Low50.2Low185 Ų185139.9 Ų139.991%0.91188%0.88SS**  trans-128.5108.3164.1-56.5-164.1-176.700107.7
180G47.5Very low50Low83 Ų83137.6 Ų137.686%0.85688%0.877SS**PPolyproline II helixtrans-66.1138.1177.400000111.4
181A49Very low50.1Low103 Ų103137.1 Ų137.185%0.85189%0.886SS**PPolyproline II helixtrans-81.9121169.100000109.6
182G47.8Very low50.2Low77 Ų77135.7 Ų135.779%0.79489%0.89SS**PPolyproline II helixtrans-70.9137.4158.900000109.8
183R53.4Low50.2Low241 Ų241132.8 Ų132.891%0.90989%0.89SS**PPolyproline II helixtrans-85.4167-179.4-112.8-178.3154.4-170.5-6.1111.4
184P63.3Low49.9Very low191 Ų191128.7 Ų128.7100%1.2489%0.886SS**  trans-73.10-167.732.6-36.4000114.5

Retrieved 184 of 184 residues in 77.7 ms (Link to these results)