A0A077Z825_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z825, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 151 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
1M28.8Very low30.5Very low240 Ų240113.1 Ų113.1100%1.18261%0.607SS**  091.50-81.4174.1173.400108.9
2T29.7Very low30.3Very low116 Ų116111.5 Ų111.571%0.71260%0.597SS**  trans-166.288.2161.720.20000106.7R4T2-R4 PolarHBondContact O-N 3.02Å
3D25.6Very low30Very low143 Ų143107.9 Ų107.977%0.76559%0.592SS**  trans-62.9110.9164.2-178.755.9000107.6T5D3-T5 PolarHBondContact OD1-OG1 2.88Å
4R29.8Very low29.9Very low197 Ų197108.9 Ų108.974%0.74360%0.602SS**  trans-134.955.9174.3-70.2-166.1-173.1-177.25108.8T2 C6T2-R4 PolarHBondContact O-N 3.02Å; R4-C6 PolarHBondContact O-N 2.87Å
5T27.8Very low29.8Very low124 Ų124109.1 Ų109.176%0.76161%0.611SS**  trans-77.4101.9177.1-47.40000108.4D3D3-T5 PolarHBondContact OD1-OG1 2.88Å
6C31.5Very low29.5Very low42 Ų42113.5 Ų113.528%0.28463%0.625SS.*PPolyproline II helixtrans-89.3138.6179.3-143.50000110.5R4 L88R4-C6 PolarHBondContact O-N 2.87Å; C6-L88 HydrophobicContact CB-CD2 4.1Å; C6-L88 VanDerWaalsContact SG-CD2 3.59Å
7G32.9Very low29.4Very low30 Ų30111 Ų11131%0.30963%0.631SS.*PPolyproline II helixtrans-60.8142.5-162.900000115.8L9G7-L9 PolarHBondContact O-N 3.04Å
8I32.6Very low29.4Very low113 Ų113114.8 Ų114.858%0.57964%0.643SS**PPolyproline II helixtrans-62.9116.2175.9-60.2169000109.2R10 G67I8-R10 VanDerWaalsContact C-N 3.29Å; I8-R10 HydrophobicContact CG2-CG 4.28Å; I8-R10 PolarHBondContact O-N 3.4Å; I8-G67 VanDerWaalsContact O-O 3.08Å
9L32.2Very low29.4Very low31 Ų31116.8 Ų116.816%0.16265%0.651CS.*BIsolated β-bridgetrans-68.185.4166.4-89.3157.2000109G7 G11 C68 K131G7-L9 PolarHBondContact O-N 3.04Å; L9-G11 PolarHBondContact O-N 3.37Å; L9-C68 WeakPolarHBondContact CD2-SG 3.34Å; L9-K131 HydrophobicContact CD2-CD 4Å
10R35.3Very low29.2Very low147 Ų147116.1 Ų116.156%0.55565%0.65SS**  trans-68.9119.1165.9-88.2-161.2173.3-160.6-0.7109.6I8I8-R10 VanDerWaalsContact C-N 3.29Å; I8-R10 HydrophobicContact CG2-CG 4.28Å; I8-R10 PolarHBondContact O-N 3.4Å
11G29.6Very low29Very low61 Ų61119.6 Ų119.663%0.62966%0.655SS**  trans-70.6120.115100000108.2L9L9-G11 PolarHBondContact O-N 3.37Å
12I27.9Very low29Very low94 Ų94117.4 Ų117.448%0.48264%0.639SS.*  trans34.1104.9153.8-43.1174.9000116.2V14 L44 L48I12-V14 HydrophobicContact CG2-CG2 4.38Å; I12-L44 HydrophobicContact CD1-CD1 4.41Å; I12-L48 HydrophobicContact CD1-CD2 3.56Å; I12-L48 HydrophobicContact CG1-CD2 4.12Å
13A26.7Very low28.9Very low65 Ų65116.8 Ų116.854%0.53764%0.637SS.*  trans-133112.914800000107.1P15A13-P15 WeakPolarHBondContact O-CD 3.36Å
14V28.2Very low29.2Very low121 Ų121114.9 Ų114.973%0.73364%0.635SS**  trans-109.8102.1172.5179.80000107.2I12I12-V14 HydrophobicContact CG2-CG2 4.38Å
15P28.3Very low29.4Very low112 Ų112114.3 Ų114.373%0.72765%0.645SS**  trans-94143.4160.6317.3000110A13A13-P15 WeakPolarHBondContact O-CD 3.36Å
16E25.3Very low29.6Very low180 Ų180111.6 Ų111.684%0.84164%0.642SS**SBendtrans-48.1135.9-165.3-59.7174.2123.600115.4
17G27.4Very low30.2Very low71 Ų71119.7 Ų119.773%0.73267%0.672SS**SBendtrans162.6-30.2161.800000119.1
18Q29.2Very low30.3Very low180 Ų180124.5 Ų124.584%0.84170%0.698SS**  trans-171.492.2-172.4-115.7170.234.700112.7
19L29Very low30.6Very low153 Ų153122.7 Ų122.780%0.80171%0.707SS**  trans-158.975.3157.2-107.2155000108.4
20T26.8Very low31.3Very low101 Ų101130 Ų13062%0.6275%0.745SS**  trans-64.1134.1161.646.70000108.2
21Y24.9Very low31.2Very low191 Ų191126.6 Ų126.675%0.74976%0.757SS**  -170.8118.850.4174-96.5000108.9P23Y21-P23 HydrophobicContact CE1-CG 4.21Å
22F28.4Very low31.6Very low193 Ų193126.6 Ų126.685%0.84676%0.757SS**  trans-127.7124.7154-74.3-79.1000106.3S24F22-S24 PolarHBondContact O-N 2.84Å
23P27.5Very low32Very low104 Ų104126 Ų12668%0.67577%0.773SS**  trans-78.592.7-179.631.5-30.6000108.9Y21Y21-P23 HydrophobicContact CE1-CG 4.21Å
24S31.8Very low32.5Very low103 Ų103130.3 Ų130.372%0.7279%0.785SS**  trans-125.394.9164.225.70000109.7F22F22-S24 PolarHBondContact O-N 2.84Å
25L33.9Very low33.3Very low185 Ų185130 Ų13097%0.96979%0.789SS**  trans0.3117.4148.2-164.471000116.8
26G32.1Very low33.8Very low66 Ų66129 Ų12968%0.6878%0.78SS**  trans116.781137.100000120.3
27K44Very low34.5Very low212 Ų212125.4 Ų125.492%0.92278%0.775SS**  trans73.2145143.5-67.4-173.7174-175.40121.6
28P35.9Very low35Very low132 Ų132129.9 Ų129.986%0.85778%0.782SS**  trans-102.7148.7-160.837.3-26.9000114
29G38.8Very low35.4Very low75 Ų75125.4 Ų125.477%0.77376%0.763SS**  trans176.6108.6168.400000116.3
30L45.6Very low35.6Very low183 Ų183122.2 Ų122.296%0.95875%0.75SS**  trans74.6125.9147.8-140.670000119.4
31G34.5Very low36.3Very low77 Ų77121.9 Ų121.979%0.79475%0.749SS**  trans-72.8163.6-170.200000117.1
32G37.8Very low36.9Very low61 Ų61120.3 Ų120.363%0.62975%0.749SS**  trans169.1103.3174.400000110I34G32-I34 PolarHBondContact O-N 2.97Å
33G35.1Very low37.5Very low80 Ų80112.5 Ų112.583%0.82572%0.718SS**PPolyproline II helixtrans-65.4125.7176.500000111.3
34I38.2Very low38.2Very low156 Ų156109.5 Ų109.580%0.870%0.696SS**PPolyproline II helixtrans-103.6118.9177.83174000108.8G32G32-I34 PolarHBondContact O-N 2.97Å
35S44Very low38.8Very low115 Ų115108.3 Ų108.380%0.80469%0.688SS**PPolyproline II helixtrans-78.1133.2168.1-178.30000109.3
36V40.3Very low39.5Very low91 Ų91107.9 Ų107.955%0.55268%0.681SS**  trans-11293.1-168.8-1740000108.9L39V36-L39 HydrophobicContact CG1-CB 4.36Å; V36-L39 HydrophobicContact CG1-CD1 3.33Å; V36-L39 HydrophobicContact CG1-CD2 3.92Å; V36-L39 HydrophobicContact CG1-CG 3.24Å
37S38.3Very low40.9Very low105 Ų105107.8 Ų107.873%0.73467%0.674SS**SBendtrans-123.925.6171.3-58.80000112.6
38L38Very low41.9Very low165 Ų16598.3 Ų98.386%0.86463%0.633SS**  trans-144.230.8179.9-67.4175.7000113.5T40L38-T40 PolarHBondContact O-N 3.46Å
39L37.5Very low43.7Very low85 Ų8594.9 Ų94.945%0.44561%0.611SS.*  trans-76111.2172.1-69.6179.8000109.6V36 S43V36-L39 HydrophobicContact CG1-CB 4.36Å; V36-L39 HydrophobicContact CG1-CD1 3.33Å; V36-L39 HydrophobicContact CG1-CD2 3.92Å; V36-L39 HydrophobicContact CG1-CG 3.24Å; L39-S43 WeakPolarHBondContact CA-OG 3.23Å; L39-S43 VanDerWaalsContact CB-OG 3.23Å; L39-S43 WeakPolarHBondContact CB-OG 3.35Å; L39-S43 WeakPolarHBondContact CD2-OG 3.44Å
40T34.9Very low45.4Very low87 Ų8794.4 Ų94.453%0.53459%0.593SS.*  trans-53.3146.616541.60000109.4L38 Q42 S43 L44L38-T40 PolarHBondContact O-N 3.46Å; T40-Q42 PolarHBondContact O-N 2.93Å; T40-S43 PolarHBondContact N-OG 2.91Å; T40-S43 PolarHBondContact O-N 2.87Å; T40-S43 PolarHBondContact O-OG 3.32Å; T40-S43 PolarHBondContact OG1-OG 3.25Å; T40-L44 PolarHBondContact O-N 3.2Å
41P41.3Very low47Very low93 Ų9387.4 Ų87.460%0.60456%0.558SS**Hα-helixtrans-49.4-30-179.2-28.634.1000114.3L44 S45P41-L44 WeakPolarHBondContact O-CB 3.47Å; P41-L44 PolarHBondContact O-N 3.28Å; P41-S45 PolarHBondContact O-N 2.71Å
42Q37.2Very low49.2Very low158 Ų15891 Ų9174%0.73855%0.547SS*.Hα-helixtrans-66.4-35.3176.7-64.7-176.4-12.900113.6T40 L44 S45T40-Q42 PolarHBondContact O-N 2.93Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-S45 PolarHBondContact O-OG 3.37Å
43S41.1Very low51.4Low30 Ų3088.4 Ų88.421%0.2152%0.519CS..Hα-helixtrans-79.2-18.617654.80000113.1L39 T40 A47L39-S43 WeakPolarHBondContact CA-OG 3.23Å; L39-S43 VanDerWaalsContact CB-OG 3.23Å; L39-S43 WeakPolarHBondContact CB-OG 3.35Å; L39-S43 WeakPolarHBondContact CD2-OG 3.44Å; T40-S43 PolarHBondContact N-OG 2.91Å; T40-S43 PolarHBondContact O-N 2.87Å; T40-S43 PolarHBondContact O-OG 3.32Å; T40-S43 PolarHBondContact OG1-OG 3.25Å; S43-A47 WeakPolarHBondContact O-CB 3.25Å
44L42.3Very low53.7Low41 Ų4190.5 Ų90.522%0.21550%0.502CS..Hα-helixtrans-71.2-37.7173.6-150.4112.5000110.8I12 T40 P41 Q42 E46 A47 L48 L126 W127I12-L44 HydrophobicContact CD1-CD1 4.41Å; T40-L44 PolarHBondContact O-N 3.2Å; P41-L44 WeakPolarHBondContact O-CB 3.47Å; P41-L44 PolarHBondContact O-N 3.28Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; L44-E46 PolarHBondContact O-N 3.25Å; L44-A47 PolarHBondContact O-N 2.91Å; L44-L48 HydrophobicContact CD2-CD1 3.79Å; L44-L48 HydrophobicContact CD2-CG 4.23Å; L44-L48 HydrophobicContact CG-CD1 4.48Å; L44-L48 HydrophobicContact CG-CG 4.42Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 3.39Å; L44-L126 HydrophobicContact CD2-CD1 4.4Å; L44-W127 HydrophobicContact CD2-CZ3 4.2Å
45S44.8Very low55.9Low77 Ų7783.1 Ų83.154%0.53846%0.464SS..Hα-helixtrans-69.1-31.4-179.358.70000114P41 Q42P41-S45 PolarHBondContact O-N 2.71Å; Q42-S45 PolarHBondContact O-OG 3.37Å
46E48.2Very low57.7Low176 Ų17680.6 Ų80.682%0.82244%0.439SS*.Hα-helixtrans-77.4-23.5176.9-77.2-173.8152.800113.3L44L44-E46 PolarHBondContact O-N 3.25Å
47A61.6Low59.8Low64 Ų6478.7 Ų78.753%0.52944%0.439SS..Hα-helixtrans-102.1-9.9-171.600000114.5S43 L44 P49S43-A47 WeakPolarHBondContact O-CB 3.25Å; L44-A47 PolarHBondContact O-N 2.91Å; A47-P49 WeakPolarHBondContact O-CD 3.47Å
48L65Low61.9Low14 Ų1475.7 Ų75.77%0.07342%0.42CS..SBendtrans-76.4121.3-179.3-77.9-177.9000110.5I12 L44 T50 L63 L126 F128I12-L48 HydrophobicContact CD1-CD2 3.56Å; I12-L48 HydrophobicContact CG1-CD2 4.12Å; L44-L48 HydrophobicContact CD2-CD1 3.79Å; L44-L48 HydrophobicContact CD2-CG 4.23Å; L44-L48 HydrophobicContact CG-CD1 4.48Å; L44-L48 HydrophobicContact CG-CG 4.42Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.43Å; L44-L48 PolarHBondContact O-N 3.39Å; L48-T50 PolarHBondContact O-N 3.3Å; L48-T50 PolarHBondContact O-OG1 3.46Å; L48-L63 HydrophobicContact CB-CD1 3.76Å; L48-L63 HydrophobicContact CD1-CD1 4.04Å; L48-L63 HydrophobicContact CD2-CD1 3.9Å; L48-L63 HydrophobicContact CG-CD1 4.08Å; L48-L126 HydrophobicContact CD1-CD1 4.27Å; L48-F128 HydrophobicContact CD1-CE2 3.77Å
49P74.1Confident64Low59 Ų5973.4 Ų73.438%0.38341%0.405SS..  trans-63106.9179.827.7-35.1000108.6A47 V64A47-P49 WeakPolarHBondContact O-CD 3.47Å; P49-V64 HydrophobicContact CB-CB 4.1Å; P49-V64 HydrophobicContact CG-CB 4.18Å; P49-V64 WeakPolarHBondContact CG-O 3.49Å; P49-V64 WeakPolarHBondContact O-CB 3.47Å; P49-V64 WeakPolarHBondContact O-CG2 3.25Å; P49-V64 PolarHBondContact O-N 2.94Å
50T73.9Confident66.2Low65 Ų6572.2 Ų72.240%0.39940%0.395SS..EExtended strand (participates in β ladder)trans-117.2136.8-173-59.10000109.7L48 D61 I62 F128L48-T50 PolarHBondContact O-N 3.3Å; L48-T50 PolarHBondContact O-OG1 3.46Å; T50-D61 HydrophobicContact CG2-CB 3.89Å; T50-I62 CarbonylContact C-O 3.54Å; T50-I62 VanDerWaalsContact CA-O 3.25Å; T50-I62 WeakPolarHBondContact CA-O 3.46Å; T50-F128 HydrophobicContact CG2-CE1 3.69Å; T50-F128 HydrophobicContact CG2-CZ 4.29Å; T50-F128 WeakPolarHBondContact OG1-CZ 3.43Å
51V78.9Confident68.4Low36 Ų3672.1 Ų72.122%0.21839%0.39CS..EExtended strand (participates in β ladder)trans-126.4141175.364.30000110.2M53 I62 V64 L108 L132V51-M53 HydrophobicContact CG1-CE 3.37Å; V51-I62 HydrophobicContact CG1-CB 4.07Å; V51-I62 HydrophobicContact CG1-CG2 4.41Å; V51-I62 PolarHBondContact N-O 2.88Å; V51-I62 WeakPolarHBondContact O-CB 3.07Å; V51-I62 PolarHBondContact O-N 3.03Å; V51-V64 HydrophobicContact CB-CG2 4.26Å; V51-V64 HydrophobicContact CG1-CG2 3.81Å; V51-L108 HydrophobicContact CG2-CD1 3.75Å; V51-L132 HydrophobicContact CG1-CD1 3.71Å
52R81.5Confident70.2Confident153 Ų15367.7 Ų67.758%0.57736%0.362SS*.EExtended strand (participates in β ladder)trans-90.7122.2174.1-160.6171.5-150.5-171.20.5110Q59 R60 D61R52-Q59 HydrophobicContact CG-CG 3.89Å; R52-Q59 VanDerWaalsContact NH2-NE2 3.18Å; R52-R60 WeakPolarHBondContact CA-O 3.49Å; R52-D61 WeakPolarHBondContact CG-OD1 3.43Å; R52-D61 IonicContact NE-OD1 3.65Å
53M83.4Confident72.4Confident6 Ų660.5 Ų60.53%0.0333%0.329CS..EExtended strand (participates in β ladder)trans-150.1167.9176.872.217382.900111.6V51 V55 R60 I62 L106 Q107 L108 L132 W140V51-M53 HydrophobicContact CG1-CE 3.37Å; M53-V55 HydrophobicContact CG-CG2 4.32Å; M53-R60 PolarHBondContact N-O 3.17Å; M53-R60 PolarHBondContact O-N 2.84Å; M53-R60 VanDerWaalsContact O-O 3.14Å; M53-I62 HydrophobicContact CE-CB 4.36Å; M53-I62 HydrophobicContact CE-CD1 3.83Å; M53-I62 HydrophobicContact CE-CG2 4.34Å; M53-I62 HydrophobicContact CG-CD1 3.13Å; M53-I62 HydrophobicContact CG-CG1 3.99Å; M53-I62 HydrophobicContact SD-CD1 3.47Å; M53-I62 WeakPolarHBondContact SD-CD1 3.39Å; M53-L106 HydrophobicContact SD-CB 4.05Å; M53-L106 HydrophobicContact SD-CD1 4.22Å; M53-L106 HydrophobicContact SD-CD2 4.01Å; M53-L106 HydrophobicContact SD-CG 4.33Å; M53-Q107 WeakPolarHBondContact CB-O 3.37Å; M53-L108 HydrophobicContact CB-CD1 4.2Å; M53-L132 HydrophobicContact CE-CD1 3.3Å; M53-L132 HydrophobicContact CE-CD2 3.81Å; M53-L132 HydrophobicContact CE-CG 3.89Å; M53-L132 HydrophobicContact SD-CD2 4.37Å; M53-W140 HydrophobicContact SD-CZ3 4.4Å
54R83.4Confident74.2Confident125 Ų12560.3 Ų60.347%0.47233%0.326SS..EExtended strand (participates in β ladder)trans-85.5131.2170.7-67.6178.6179.1-172.5-4.1110.3A58 L106 Q107R54-A58 CarbonylContact C-O 3.54Å; R54-A58 VanDerWaalsContact CA-O 3.25Å; R54-A58 WeakPolarHBondContact CA-O 3.43Å; R54-L106 CarbonylContact O-C 3.58Å; R54-L106 WeakPolarHBondContact O-CA 3.45Å; R54-Q107 HydrophobicContact CB-CB 4.14Å; R54-Q107 PolarHBondContact N-O 2.84Å; R54-Q107 PolarHBondContact O-N 3.4Å
55V84.3Confident75.6Confident0 Ų058.6 Ų58.60%032%0.318CS..EExtended strand (participates in β ladder)trans-120.5115.3173-174.30000106.1M53 G57 A58 R60 I62 V104 L106 F130M53-V55 HydrophobicContact CG-CG2 4.32Å; V55-G57 PolarHBondContact O-N 2.78Å; V55-A58 PolarHBondContact N-O 3.21Å; V55-A58 PolarHBondContact O-N 3.48Å; V55-R60 HydrophobicContact CB-CG 4.45Å; V55-R60 HydrophobicContact CG2-CB 4.24Å; V55-R60 HydrophobicContact CG2-CG 4.39Å; V55-I62 HydrophobicContact CG2-CD1 3.23Å; V55-I62 HydrophobicContact CG2-CG1 4.29Å; V55-V104 HydrophobicContact CG1-CG1 3.48Å; V55-V104 VanDerWaalsContact CG1-CG1 3.48Å; V55-L106 HydrophobicContact CB-CD2 4.39Å; V55-L106 HydrophobicContact CG1-CD2 4.15Å; V55-L106 HydrophobicContact CG2-CD2 3.95Å; V55-F130 HydrophobicContact CG1-CD2 3.93Å; V55-F130 HydrophobicContact CG1-CE2 4.25Å; V55-F130 HydrophobicContact CG2-CG 4.42Å
56E82.8Confident76.5Confident62 Ų6259 Ų5929%0.2932%0.317SS..THydrogen-bonded Turntrans51.441.4-172.4-59.9-53145.200112.4A58 V104 R105E56-A58 PolarHBondContact O-N 2.97Å; E56-A58 VanDerWaalsContact O-N 3.08Å; E56-V104 HydrophobicContact CG-CG1 4.22Å; E56-V104 WeakPolarHBondContact OE1-CA 3.39Å; E56-V104 WeakPolarHBondContact OE1-CG1 3.45Å; E56-R105 PolarHBondContact N-O 3.22Å; E56-R105 PolarHBondContact OE1-N 3.1Å
57G83Confident77.5Confident52 Ų5252 Ų5254%0.53629%0.293SS..THydrogen-bonded Turntrans78.4-20.1-17900000115.5V55V55-G57 PolarHBondContact O-N 2.78Å
58A82.5Confident77.8Confident41 Ų4149.4 Ų49.434%0.33927%0.27SS..EExtended strand (participates in β ladder)trans-81.1130.9176.300000111.4R54 V55 E56 R60R54-A58 CarbonylContact C-O 3.54Å; R54-A58 VanDerWaalsContact CA-O 3.25Å; R54-A58 WeakPolarHBondContact CA-O 3.43Å; V55-A58 PolarHBondContact N-O 3.21Å; V55-A58 PolarHBondContact O-N 3.48Å; E56-A58 PolarHBondContact O-N 2.97Å; E56-A58 VanDerWaalsContact O-N 3.08Å; A58-R60 PolarHBondContact O-N 2.87Å
59Q83.3Confident78Confident118 Ų11851.7 Ų51.755%0.55129%0.287SS*.EExtended strand (participates in β ladder)trans-73.4124.3175.5-176169.8-87.600110.4R52R52-Q59 HydrophobicContact CG-CG 3.89Å; R52-Q59 VanDerWaalsContact NH2-NE2 3.18Å
60R83.6Confident78.2Confident60 Ų6053.5 Ų53.523%0.22629%0.289CS..EExtended strand (participates in β ladder)trans-135.5151.6-177.9-58-171.8-173.3-98.70.2111R52 M53 V55 A58 I62 D129R52-R60 WeakPolarHBondContact CA-O 3.49Å; M53-R60 PolarHBondContact N-O 3.17Å; M53-R60 PolarHBondContact O-N 2.84Å; M53-R60 VanDerWaalsContact O-O 3.14Å; V55-R60 HydrophobicContact CB-CG 4.45Å; V55-R60 HydrophobicContact CG2-CB 4.24Å; V55-R60 HydrophobicContact CG2-CG 4.39Å; A58-R60 PolarHBondContact O-N 2.87Å; R60-I62 HydrophobicContact CB-CG1 4.34Å; R60-D129 IonicContact NH1-OD2 2.88Å; R60-D129 PolarHBondContact NH1-OD2 3.3Å
61D80.3Confident78.7Confident84 Ų8450.4 Ų50.445%0.44927%0.27SS..EExtended strand (participates in β ladder)trans-87132.6165.7-62.9-35.7000108.2T50 R52 F128T50-D61 HydrophobicContact CG2-CB 3.89Å; R52-D61 WeakPolarHBondContact CG-OD1 3.43Å; R52-D61 IonicContact NE-OD1 3.65Å; D61-F128 HydrophobicContact CB-CE1 4.43Å; D61-F128 WeakPolarHBondContact O-CD1 3.24Å
62I78.9Confident78.7Confident0 Ų048.9 Ų48.90%026%0.261CS..EExtended strand (participates in β ladder)trans-129130.7-167.1-61.8-165000110.9T50 V51 M53 V55 R60 V64 F130 L132T50-I62 CarbonylContact C-O 3.54Å; T50-I62 VanDerWaalsContact CA-O 3.25Å; T50-I62 WeakPolarHBondContact CA-O 3.46Å; V51-I62 HydrophobicContact CG1-CB 4.07Å; V51-I62 HydrophobicContact CG1-CG2 4.41Å; V51-I62 PolarHBondContact N-O 2.88Å; V51-I62 WeakPolarHBondContact O-CB 3.07Å; V51-I62 PolarHBondContact O-N 3.03Å; M53-I62 HydrophobicContact CE-CB 4.36Å; M53-I62 HydrophobicContact CE-CD1 3.83Å; M53-I62 HydrophobicContact CE-CG2 4.34Å; M53-I62 HydrophobicContact CG-CD1 3.13Å; M53-I62 HydrophobicContact CG-CG1 3.99Å; M53-I62 HydrophobicContact SD-CD1 3.47Å; M53-I62 WeakPolarHBondContact SD-CD1 3.39Å; V55-I62 HydrophobicContact CG2-CD1 3.23Å; V55-I62 HydrophobicContact CG2-CG1 4.29Å; R60-I62 HydrophobicContact CB-CG1 4.34Å; I62-V64 PolarHBondContact O-N 3.44Å; I62-F130 HydrophobicContact CD1-CB 4.05Å; I62-F130 HydrophobicContact CD1-CD1 3.71Å; I62-F130 HydrophobicContact CD1-CE1 4.48Å; I62-F130 HydrophobicContact CD1-CG 4.08Å; I62-F130 HydrophobicContact CG1-CB 4.18Å; I62-F130 HydrophobicContact CG1-CD1 4.41Å; I62-F130 HydrophobicContact CG2-CB 4.44Å; I62-F130 HydrophobicContact CG2-CD1 3.69Å; I62-F130 WeakPolarHBondContact CG2-O 3.09Å; I62-L132 HydrophobicContact CG2-CB 4.47Å; I62-L132 HydrophobicContact CG2-CD1 4.02Å; I62-L132 HydrophobicContact CG2-CG 3.66Å
63L83Confident78.7Confident8 Ų841.6 Ų41.64%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-74.4123.4173.7-179.358.4000111.3L48 G65 L126 F128 F130 K131 L132L48-L63 HydrophobicContact CB-CD1 3.76Å; L48-L63 HydrophobicContact CD1-CD1 4.04Å; L48-L63 HydrophobicContact CD2-CD1 3.9Å; L48-L63 HydrophobicContact CG-CD1 4.08Å; L63-G65 PolarHBondContact O-N 2.86Å; L63-L126 HydrophobicContact CD2-CD1 4.24Å; L63-F128 HydrophobicContact CB-CB 4.26Å; L63-F128 HydrophobicContact CB-CD1 4.24Å; L63-F128 HydrophobicContact CB-CD2 3.76Å; L63-F128 HydrophobicContact CB-CE2 4.15Å; L63-F128 HydrophobicContact CB-CG 3.82Å; L63-F128 HydrophobicContact CD1-CE2 4.36Å; L63-F128 HydrophobicContact CD2-CD2 4.2Å; L63-F128 HydrophobicContact CG-CD2 4.43Å; L63-F130 PolarHBondContact N-O 3.33Å; L63-K131 HydrophobicContact CB-CG 4.37Å; L63-K131 HydrophobicContact CD2-CD 4.19Å; L63-K131 HydrophobicContact CD2-CG 4.39Å; L63-K131 HydrophobicContact CG-CG 4.3Å; L63-K131 CarbonylContact O-C 3.53Å; L63-K131 VanDerWaalsContact O-CA 3.28Å; L63-K131 WeakPolarHBondContact O-CA 3.42Å; L63-L132 PolarHBondContact O-N 3.21Å
64V80.2Confident78.4Confident26 Ų2642.6 Ų42.616%0.15824%0.238CC..EExtended strand (participates in β ladder)trans-84.3102.6174.3-173.80000109.6P49 V51 I62 T66 L132P49-V64 HydrophobicContact CB-CB 4.1Å; P49-V64 HydrophobicContact CG-CB 4.18Å; P49-V64 WeakPolarHBondContact CG-O 3.49Å; P49-V64 WeakPolarHBondContact O-CB 3.47Å; P49-V64 WeakPolarHBondContact O-CG2 3.25Å; P49-V64 PolarHBondContact O-N 2.94Å; V51-V64 HydrophobicContact CB-CG2 4.26Å; V51-V64 HydrophobicContact CG1-CG2 3.81Å; I62-V64 PolarHBondContact O-N 3.44Å; V64-T66 PolarHBondContact O-N 3.08Å; V64-L132 HydrophobicContact CG2-CD1 4.02Å
65G70.8Confident77.8Confident4 Ų438 Ų384%0.04123%0.227CC..  trans-86.594.8179.600000113.2L63 G67 C68 L132L63-G65 PolarHBondContact O-N 2.86Å; G65-G67 PolarHBondContact O-N 3.28Å; G65-C68 PolarHBondContact O-N 2.83Å; G65-L132 VanDerWaalsContact CA-O 3.27Å; G65-L132 WeakPolarHBondContact CA-O 3.1Å; G65-L132 PolarHBondContact N-O 3.37Å
66T64.5Low77.2Confident86 Ų8640.8 Ų40.853%0.52825%0.247SC..THydrogen-bonded Turntrans-65.4-22.3172.656.80000113.2V64 W137V64-T66 PolarHBondContact O-N 3.08Å; T66-W137 HydrophobicContact CG2-CH2 4.5Å; T66-W137 HydrophobicContact CG2-CZ2 4.4Å
67G68Low76.5Confident30 Ų3038.1 Ų38.131%0.30923%0.234SC..THydrogen-bonded Turntrans-94.42.5177.500000115.7I8 G65I8-G67 VanDerWaalsContact O-O 3.08Å; G65-G67 PolarHBondContact O-N 3.28Å
68C67.7Low75.6Confident8 Ų841.3 Ų41.35%0.05423%0.23CC..  trans-109.1124.9-176.8-72.80000111.7L9 G65 K70 K131 G133 M134L9-C68 WeakPolarHBondContact CD2-SG 3.34Å; G65-C68 PolarHBondContact O-N 2.83Å; C68-K70 VanDerWaalsContact C-N 3.33Å; C68-K131 WeakPolarHBondContact SG-CE 3.33Å; C68-K131 PolarHBondContact SG-NZ 3.41Å; C68-G133 CarbonylContact O-C 3.51Å; C68-G133 WeakPolarHBondContact O-CA 3.45Å; C68-M134 WeakPolarHBondContact O-CG 3.41Å; C68-M134 PolarHBondContact O-N 3.34Å
69S70.7Confident74.5Confident62 Ų6247 Ų4743%0.43425%0.25SS..SBendtrans-74.1-24.6176.260.50000113.3N135S69-N135 PolarHBondContact O-N 3.39Å
70K77.9Confident73.2Confident97 Ų9745.5 Ų45.542%0.42227%0.266SS..SBendtrans-125.4148.8-179.7-61.8-62.2-177.7-172.30110.9C68 N135C68-K70 VanDerWaalsContact C-N 3.33Å; K70-N135 WeakPolarHBondContact CA-OD1 3.42Å
71C83Confident72.2Confident0 Ų043.8 Ų43.80%026%0.26CS..EExtended strand (participates in β ladder)trans-64.2146.8167.5-66.90000110.3V116 A118 T119 F130 K131 G133 N135 V136C71-V116 HydrophobicContact CB-CG2 4.46Å; C71-A118 HydrophobicContact CB-CB 3.56Å; C71-A118 CarbonylContact O-C 3.58Å; C71-A118 VanDerWaalsContact O-CA 3.25Å; C71-A118 WeakPolarHBondContact O-CA 3.33Å; C71-T119 PolarHBondContact O-N 3.29Å; C71-F130 HydrophobicContact CB-CE1 4.06Å; C71-F130 HydrophobicContact CB-CZ 3.67Å; C71-K131 CarbonylContact C-O 3.48Å; C71-K131 VanDerWaalsContact CA-O 3.23Å; C71-K131 WeakPolarHBondContact CA-O 3.25Å; C71-G133 PolarHBondContact SG-N 2.84Å; C71-N135 PolarHBondContact N-OD1 3.47Å; C71-N135 PolarHBondContact SG-OD1 2.81Å; C71-V136 WeakPolarHBondContact SG-CG2 3.45Å
72V80.1Confident70.7Confident4 Ų450.1 Ų50.12%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-125.9127.1173.2-170.70000107.5L88 T119 A121 L125 F130 K131V72-L88 HydrophobicContact CG1-CD1 4.31Å; V72-L88 HydrophobicContact CG2-CD1 4.38Å; V72-T119 CarbonylContact C-O 3.58Å; V72-T119 VanDerWaalsContact CA-O 3.27Å; V72-T119 WeakPolarHBondContact CA-O 3.31Å; V72-T119 WeakPolarHBondContact CG1-O 3.28Å; V72-A121 HydrophobicContact CG1-CB 3.76Å; V72-L125 HydrophobicContact CB-CD1 3.64Å; V72-L125 HydrophobicContact CG1-CD1 3.69Å; V72-L125 HydrophobicContact CG1-CD2 4.05Å; V72-L125 HydrophobicContact CG1-CG 4.39Å; V72-L125 WeakPolarHBondContact O-CD1 3.45Å; V72-F130 CarbonylContact O-C 3.46Å; V72-F130 WeakPolarHBondContact O-CA 3.27Å; V72-K131 PolarHBondContact N-O 3.01Å; V72-K131 PolarHBondContact O-N 2.86Å
73A80.4Confident69.3Low0 Ų052.7 Ų52.70%030%0.303CS..EExtended strand (participates in β ladder)trans-112.3143.617600000108.9C77 W81 T119 L120 A121 F130A73-C77 HydrophobicContact CB-CB 4.11Å; A73-W81 HydrophobicContact CB-CH2 3.54Å; A73-W81 HydrophobicContact CB-CZ2 3.8Å; A73-T119 PolarHBondContact N-O 2.88Å; A73-L120 HydrophobicContact CB-CD1 4.3Å; A73-L120 CarbonylContact O-C 3.52Å; A73-L120 WeakPolarHBondContact O-CA 3.45Å; A73-A121 PolarHBondContact O-N 3.13Å; A73-F130 HydrophobicContact CB-CD2 3.6Å; A73-F130 HydrophobicContact CB-CE2 3.81Å
74H78.8Confident67.6Low27 Ų2754.2 Ų54.213%0.12532%0.317CS..EExtended strand (participates in β ladder)trans-72.9153.4169.5-178.5-133.9000110.1S76 C77 L120 A121 E122 D129H74-S76 WeakPolarHBondContact ND1-CB 3.36Å; H74-S76 PolarHBondContact ND1-OG 3.19Å; H74-S76 PolarHBondContact O-N 3.33Å; H74-C77 WeakPolarHBondContact O-CB 3.46Å; H74-C77 PolarHBondContact O-N 3.24Å; H74-L120 WeakPolarHBondContact O-CD1 3.43Å; H74-A121 CarbonylContact C-O 3.46Å; H74-A121 WeakPolarHBondContact CA-O 3.49Å; H74-A121 PolarHBondContact CD2-O 2.7Å; H74-E122 PolarHBondContact NE2-O 2.83Å; H74-D129 HydrophobicContact CB-CB 4.29Å; H74-D129 WeakPolarHBondContact CB-O 3.12Å; H74-D129 IonicContact CG-OD1 3.81Å; H74-D129 PolarHBondContact N-O 2.91Å; H74-D129 IonicContact ND1-OD1 3.1Å; H74-D129 PolarHBondContact ND1-OD1 2.99Å; H74-D129 VanDerWaalsContact ND1-OD1 3.1Å
75A70.9Confident65.9Low29 Ų2964.1 Ų64.124%0.2435%0.352CS..G310 helixtrans-53.8-20.3176.300000113.6C77 R78 A121A75-C77 PolarHBondContact O-N 2.88Å; A75-R78 WeakPolarHBondContact O-CB 3.19Å; A75-R78 PolarHBondContact O-N 3.34Å; A75-A121 PolarHBondContact N-O 2.78Å
76S70.8Confident64.9Low59 Ų5965.7 Ų65.741%0.41336%0.359SS..G310 helixtrans-63.2-18.7171.865.80000114.3H74 D129H74-S76 WeakPolarHBondContact ND1-CB 3.36Å; H74-S76 PolarHBondContact ND1-OG 3.19Å; H74-S76 PolarHBondContact O-N 3.33Å; S76-D129 VanDerWaalsContact OG-CG 3.29Å; S76-D129 PolarHBondContact OG-OD1 3.09Å
77C68.2Low64Low5 Ų565.8 Ų65.83%0.03436%0.356CS..G310 helixtrans-9212.6-179.4-62.60000113.9A73 H74 A75 E79 W81A73-C77 HydrophobicContact CB-CB 4.11Å; H74-C77 WeakPolarHBondContact O-CB 3.46Å; H74-C77 PolarHBondContact O-N 3.24Å; A75-C77 PolarHBondContact O-N 2.88Å; C77-E79 VanDerWaalsContact C-N 3.33Å; C77-E79 PolarHBondContact O-N 2.84Å; C77-E79 VanDerWaalsContact O-N 3.09Å; C77-W81 PolarHBondContact O-NE1 2.8Å; C77-W81 VanDerWaalsContact O-NE1 3.11Å
78R64.7Low63.1Low119 Ų11964.8 Ų64.845%0.44934%0.344SS..  trans-74.710.5-159.1-175.5174.3179.7169.210.4117.6A75 G80 W81 E99 L120A75-R78 WeakPolarHBondContact O-CB 3.19Å; A75-R78 PolarHBondContact O-N 3.34Å; R78-G80 PolarHBondContact O-N 3.43Å; R78-W81 HydrophobicContact CG-CB 4.22Å; R78-W81 PolarHBondContact O-N 2.83Å; R78-E99 IonicContact CZ-OE2 3.19Å; R78-E99 IonicContact NE-OE2 3.86Å; R78-E99 IonicContact NH1-OE1 3.7Å; R78-E99 IonicContact NH1-OE2 2.69Å; R78-E99 PolarHBondContact NH1-OE2 3.42Å; R78-E99 IonicContact NH2-OE2 3.68Å; R78-L120 HydrophobicContact CB-CD2 4.46Å; R78-L120 HydrophobicContact CG-CD2 4.13Å
79E59.8Low62.1Low161 Ų16167.3 Ų67.375%0.75236%0.359SS*.THydrogen-bonded Turntrans-59.2109.1179.9-70.6-171.4-175.600111.5C77C77-E79 VanDerWaalsContact C-N 3.33Å; C77-E79 PolarHBondContact O-N 2.84Å; C77-E79 VanDerWaalsContact O-N 3.09Å
80G55.8Low61.3Low86 Ų8668.2 Ų68.289%0.88736%0.355SS*.THydrogen-bonded Turntrans90.78.9176.100000118.4R78R78-G80 PolarHBondContact O-N 3.43Å
81W62.3Low59.7Low25 Ų2570.2 Ų70.210%0.09537%0.368CS..PPolyproline II helixtrans-86.2136.3-171.6-65.855.2000114.6A73 C77 R78 G102 V104 A118 L120A73-W81 HydrophobicContact CB-CH2 3.54Å; A73-W81 HydrophobicContact CB-CZ2 3.8Å; C77-W81 PolarHBondContact O-NE1 2.8Å; C77-W81 VanDerWaalsContact O-NE1 3.11Å; R78-W81 HydrophobicContact CG-CB 4.22Å; R78-W81 PolarHBondContact O-N 2.83Å; W81-G102 VanDerWaalsContact CZ3-N 3.31Å; W81-V104 HydrophobicContact CH2-CG2 3.32Å; W81-V104 HydrophobicContact CZ2-CB 4.34Å; W81-V104 HydrophobicContact CZ2-CG2 3.07Å; W81-V104 HydrophobicContact CZ3-CG2 4.42Å; W81-A118 HydrophobicContact CH2-CB 3.66Å; W81-A118 HydrophobicContact CZ3-CB 4.26Å; W81-A118 WeakPolarHBondContact CZ3-O 3.09Å; W81-L120 HydrophobicContact CD2-CD1 4.33Å; W81-L120 HydrophobicContact CE3-CB 3.97Å; W81-L120 HydrophobicContact CE3-CD1 4.15Å; W81-L120 HydrophobicContact CE3-CG 4.47Å; W81-L120 HydrophobicContact CH2-CD1 4.19Å; W81-L120 HydrophobicContact CZ2-CD1 4.35Å; W81-L120 HydrophobicContact CZ3-CB 3.9Å; W81-L120 HydrophobicContact CZ3-CD1 4.13Å
82R48.8Very low58.4Low217 Ų21775.3 Ų75.382%0.81940%0.395SS*.PPolyproline II helixtrans-86.9122.3170.5-172.3-179.7-72.5-111.92110.2
83G49.8Very low57.2Low53 Ų5377.6 Ų77.655%0.54642%0.419SS..EExtended strand (participates in β ladder)trans-62.7138.4176.300000112.9E99G83-E99 CarbonylContact C-O 3.51Å; G83-E99 WeakPolarHBondContact CA-O 3.25Å
84A45.5Very low55.9Low41 Ų4183 Ų8334%0.33945%0.446SS..EExtended strand (participates in β ladder)trans-154.7115.9173.500000109.1I86 E99 G100A84-I86 PolarHBondContact O-N 2.84Å; A84-I86 VanDerWaalsContact O-N 3.16Å; A84-E99 CarbonylContact C-O 3.48Å; A84-E99 PolarHBondContact N-O 2.8Å; A84-E99 CarbonylContact O-C 3.33Å; A84-G100 VanDerWaalsContact N-CA 3.28Å; A84-G100 WeakPolarHBondContact O-CA 3.35Å; A84-G100 PolarHBondContact O-N 3.05Å
85R46.3Very low54.9Low234 Ų23488 Ų8888%0.88347%0.469SS*.EExtended strand (participates in β ladder)trans-63.2118.4178.5-69.4-179.7179.9171.30.1110.6C98R85-C98 WeakPolarHBondContact CA-O 3.27Å
86I49.1Very low54.3Low36 Ų3688.7 Ų88.719%0.18547%0.467CS..EExtended strand (participates in β ladder)trans-127.4135.9172.9-61.6163.6000107.6A84 C98 T101 T119A84-I86 PolarHBondContact O-N 2.84Å; A84-I86 VanDerWaalsContact O-N 3.16Å; I86-C98 HydrophobicContact CB-CB 3.89Å; I86-C98 PolarHBondContact N-O 3.06Å; I86-C98 VanDerWaalsContact N-O 3.17Å; I86-C98 WeakPolarHBondContact O-CA 3.43Å; I86-C98 WeakPolarHBondContact O-CB 3.48Å; I86-C98 PolarHBondContact O-N 3.1Å; I86-C98 PolarHBondContact O-SG 2.88Å; I86-T101 HydrophobicContact CD1-CG2 3.18Å; I86-T119 HydrophobicContact CD1-CG2 4.37Å
87N44.6Very low53.5Low88 Ų8895.5 Ų95.547%0.47148%0.483SS..EExtended strand (participates in β ladder)trans-91.9125.1172.5-64.2-15.8000108
88L49Very low53.1Low9 Ų995.4 Ų95.45%0.04748%0.483CS..EExtended strand (participates in β ladder)trans-103.7122.1167.2-78.1175.7000108.4C6 V72 E95 F96 C98 T119C6-L88 HydrophobicContact CB-CD2 4.1Å; C6-L88 VanDerWaalsContact SG-CD2 3.59Å; V72-L88 HydrophobicContact CG1-CD1 4.31Å; V72-L88 HydrophobicContact CG2-CD1 4.38Å; L88-E95 CarbonylContact O-C 3.51Å; L88-E95 WeakPolarHBondContact O-CA 3.14Å; L88-F96 HydrophobicContact CB-CB 4.35Å; L88-F96 PolarHBondContact N-O 2.82Å; L88-F96 PolarHBondContact O-N 3.36Å; L88-C98 WeakPolarHBondContact CD1-SG 3.44Å; L88-C98 WeakPolarHBondContact CG-SG 3.24Å; L88-T119 HydrophobicContact CD1-CG2 4.15Å; L88-T119 HydrophobicContact CG-CG2 4.48Å
89T48.6Very low53Low61 Ų6192.1 Ų92.137%0.37447%0.473SS..EExtended strand (participates in β ladder)trans-93118.7175.6-47.30000108.9
90K53Low53.4Low82 Ų8284.5 Ų84.536%0.35744%0.437SS..BIsolated β-bridgetrans-69.7160.7166.2-84.4-170.3-165.1166.50109.5D92 G93 M94 F96K90-D92 WeakPolarHBondContact CB-OD1 3.16Å; K90-D92 PolarHBondContact O-N 3.02Å; K90-G93 PolarHBondContact O-N 2.95Å; K90-M94 WeakPolarHBondContact CB-O 3.46Å; K90-M94 PolarHBondContact N-O 3.04Å; K90-F96 HydrophobicContact CB-CD2 4.29Å; K90-F96 HydrophobicContact CB-CE2 3.97Å; K90-F96 HydrophobicContact CD-CD2 3.85Å; K90-F96 HydrophobicContact CD-CE2 3.12Å; K90-F96 HydrophobicContact CD-CZ 3.65Å; K90-F96 HydrophobicContact CG-CD2 3.59Å; K90-F96 HydrophobicContact CG-CE2 3.36Å; K90-F96 HydrophobicContact CG-CZ 4.35Å
91M44.2Very low54.1Low138 Ų13882.2 Ų82.268%0.6841%0.406SS*.THydrogen-bonded Turntrans-64.8-21.3-178.2-166.2175.9175.900113.4G93M91-G93 PolarHBondContact O-N 3.42Å
92D56.2Low54.7Low108 Ų10881.5 Ų81.558%0.57841%0.406SS*.THydrogen-bonded Turntrans-75.12.4171.559.72.4000113.2K90 M94K90-D92 WeakPolarHBondContact CB-OD1 3.16Å; K90-D92 PolarHBondContact O-N 3.02Å; D92-M94 HydrophobicContact CB-CG 4.34Å; D92-M94 PolarHBondContact O-N 3.5Å; D92-M94 WeakPolarHBondContact OD1-CB 3.23Å; D92-M94 WeakPolarHBondContact OD1-CG 3.35Å; D92-M94 PolarHBondContact OD1-N 2.76Å; D92-M94 WeakPolarHBondContact OD2-CG 3.47Å
93G54.9Low56.2Low51 Ų5177.6 Ų77.653%0.52640%0.395SS..SBendtrans79.5-1.4-174.500000113.6K90 M91 E95K90-G93 PolarHBondContact O-N 2.95Å; M91-G93 PolarHBondContact O-N 3.42Å; G93-E95 PolarHBondContact O-N 3.23Å
94M52.1Low57.7Low115 Ų11575.1 Ų75.157%0.56737%0.369SS*.  trans-74.3122178.9-61.8-73.6-9500109.5K90 D92 F96K90-M94 WeakPolarHBondContact CB-O 3.46Å; K90-M94 PolarHBondContact N-O 3.04Å; D92-M94 HydrophobicContact CB-CG 4.34Å; D92-M94 PolarHBondContact O-N 3.5Å; D92-M94 WeakPolarHBondContact OD1-CB 3.23Å; D92-M94 WeakPolarHBondContact OD1-CG 3.35Å; D92-M94 PolarHBondContact OD1-N 2.76Å; D92-M94 WeakPolarHBondContact OD2-CG 3.47Å; M94-F96 HydrophobicContact CB-CE2 3.86Å; M94-F96 HydrophobicContact CB-CZ 4.42Å; M94-F96 WeakPolarHBondContact O-CD2 3.44Å
95E57.4Low59.5Low130 Ų13079.8 Ų79.861%0.60738%0.378SS*.EExtended strand (participates in β ladder)trans-82.3132.5175.2-63.7-169.6153.100110.9L88 G93L88-E95 CarbonylContact O-C 3.51Å; L88-E95 WeakPolarHBondContact O-CA 3.14Å; G93-E95 PolarHBondContact O-N 3.23Å
96F58.4Low61.4Low44 Ų4468.6 Ų68.619%0.19334%0.336CS..EExtended strand (participates in β ladder)trans-106127.4170.8-70.2-92.5000108.5L88 K90 M94 C98 T123L88-F96 HydrophobicContact CB-CB 4.35Å; L88-F96 PolarHBondContact N-O 2.82Å; L88-F96 PolarHBondContact O-N 3.36Å; K90-F96 HydrophobicContact CB-CD2 4.29Å; K90-F96 HydrophobicContact CB-CE2 3.97Å; K90-F96 HydrophobicContact CD-CD2 3.85Å; K90-F96 HydrophobicContact CD-CE2 3.12Å; K90-F96 HydrophobicContact CD-CZ 3.65Å; K90-F96 HydrophobicContact CG-CD2 3.59Å; K90-F96 HydrophobicContact CG-CE2 3.36Å; K90-F96 HydrophobicContact CG-CZ 4.35Å; M94-F96 HydrophobicContact CB-CE2 3.86Å; M94-F96 HydrophobicContact CB-CZ 4.42Å; M94-F96 WeakPolarHBondContact O-CD2 3.44Å; F96-C98 PolarHBondContact O-N 2.81Å; F96-T123 HydrophobicContact CE1-CG2 4.28Å
97R54.4Low63.1Low202 Ų20270 Ų7076%0.76234%0.342SS*.EExtended strand (participates in β ladder)trans-73.1124171.2-69.3-177.6-179.1170.12.4108.4
98C61.1Low65Low3 Ų367.4 Ų67.42%0.0233%0.328CS..EExtended strand (participates in β ladder)trans-99.2135.3168.3-56.90000108.6R85 I86 L88 F96 G100 T119 L120R85-C98 WeakPolarHBondContact CA-O 3.27Å; I86-C98 HydrophobicContact CB-CB 3.89Å; I86-C98 PolarHBondContact N-O 3.06Å; I86-C98 VanDerWaalsContact N-O 3.17Å; I86-C98 WeakPolarHBondContact O-CA 3.43Å; I86-C98 WeakPolarHBondContact O-CB 3.48Å; I86-C98 PolarHBondContact O-N 3.1Å; I86-C98 PolarHBondContact O-SG 2.88Å; L88-C98 WeakPolarHBondContact CD1-SG 3.44Å; L88-C98 WeakPolarHBondContact CG-SG 3.24Å; F96-C98 PolarHBondContact O-N 2.81Å; C98-G100 VanDerWaalsContact C-N 3.33Å; C98-T119 HydrophobicContact CB-CG2 3.52Å; C98-T119 WeakPolarHBondContact SG-CG2 2.97Å; C98-L120 CarbonylContact C-O 3.53Å; C98-L120 WeakPolarHBondContact CA-O 3.48Å; C98-L120 WeakPolarHBondContact CB-O 3.48Å
99E62.3Low66.4Low51 Ų5171.4 Ų71.424%0.23836%0.362CS..EExtended strand (participates in β ladder)trans-75.2-23.9178.7-78.4-167.7177.100112.6R78 G83 A84 L120 E122R78-E99 IonicContact CZ-OE2 3.19Å; R78-E99 IonicContact NE-OE2 3.86Å; R78-E99 IonicContact NH1-OE1 3.7Å; R78-E99 IonicContact NH1-OE2 2.69Å; R78-E99 PolarHBondContact NH1-OE2 3.42Å; R78-E99 IonicContact NH2-OE2 3.68Å; G83-E99 CarbonylContact C-O 3.51Å; G83-E99 WeakPolarHBondContact CA-O 3.25Å; A84-E99 CarbonylContact C-O 3.48Å; A84-E99 PolarHBondContact N-O 2.8Å; A84-E99 CarbonylContact O-C 3.33Å; E99-L120 HydrophobicContact CB-CB 4.44Å; E99-L120 HydrophobicContact CB-CD2 3.93Å; E99-L120 HydrophobicContact CB-CG 4.4Å; E99-L120 PolarHBondContact N-O 2.82Å; E99-E122 HydrophobicContact CG-CG 3.61Å; E99-E122 WeakPolarHBondContact CG-OE1 3.23Å
100G66.9Low67.8Low1 Ų173 Ų731%0.0139%0.391CS..EExtended strand (participates in β ladder)trans-173.9169-168.800000116.4A84 C98 T119 L120A84-G100 VanDerWaalsContact N-CA 3.28Å; A84-G100 WeakPolarHBondContact O-CA 3.35Å; A84-G100 PolarHBondContact O-N 3.05Å; C98-G100 VanDerWaalsContact C-N 3.33Å; G100-T119 CarbonylContact O-C 3.36Å; G100-T119 WeakPolarHBondContact O-CA 3.14Å; G100-L120 PolarHBondContact O-N 2.9Å
101T71.6Confident69.1Low38 Ų3872.7 Ų72.723%0.23339%0.388CS..EExtended strand (participates in β ladder)trans-115.4138.4150.948.50000109I86 A118I86-T101 HydrophobicContact CD1-CG2 3.18Å; T101-A118 VanDerWaalsContact CA-O 3.24Å; T101-A118 WeakPolarHBondContact CA-O 3.34Å
102G74Confident70.9Confident9 Ų972.6 Ų72.69%0.09339%0.39CS..EExtended strand (participates in β ladder)trans-139178.5173.900000110.8W81 K117 A118W81-G102 VanDerWaalsContact CZ3-N 3.31Å; G102-K117 CarbonylContact O-C 3.21Å; G102-K117 WeakPolarHBondContact O-CA 3.46Å; G102-A118 PolarHBondContact N-O 2.85Å; G102-A118 PolarHBondContact O-N 3.47Å
103F81Confident72.3Confident136 Ų13669.5 Ų69.560%0.59638%0.376SS*.EExtended strand (participates in β ladder)trans-96.6143.9168.7-70.3-86.1000108.7V116 K117F103-V116 CarbonylContact C-O 3.59Å; F103-V116 WeakPolarHBondContact CA-O 3.43Å; F103-K117 HydrophobicContact CD1-CB 4.43Å; F103-K117 HydrophobicContact CE1-CB 4.23Å
104V80.8Confident73.8Confident0 Ų068.2 Ų68.20%036%0.358CS..EExtended strand (participates in β ladder)trans-128.3125.1-179.4-163.70000109V55 E56 W81 L106 E115 V116 A118 F130V55-V104 HydrophobicContact CG1-CG1 3.48Å; V55-V104 VanDerWaalsContact CG1-CG1 3.48Å; E56-V104 HydrophobicContact CG-CG1 4.22Å; E56-V104 WeakPolarHBondContact OE1-CA 3.39Å; E56-V104 WeakPolarHBondContact OE1-CG1 3.45Å; W81-V104 HydrophobicContact CH2-CG2 3.32Å; W81-V104 HydrophobicContact CZ2-CB 4.34Å; W81-V104 HydrophobicContact CZ2-CG2 3.07Å; W81-V104 HydrophobicContact CZ3-CG2 4.42Å; V104-L106 HydrophobicContact CG1-CD2 4.02Å; V104-L106 PolarHBondContact O-N 2.92Å; V104-E115 WeakPolarHBondContact O-CA 3.17Å; V104-V116 HydrophobicContact CB-CG2 4.39Å; V104-V116 PolarHBondContact N-O 3.18Å; V104-V116 PolarHBondContact O-N 3.31Å; V104-A118 HydrophobicContact CG2-CB 3.51Å; V104-F130 HydrophobicContact CB-CE2 4.16Å; V104-F130 HydrophobicContact CG1-CE2 3.85Å; V104-F130 HydrophobicContact CG1-CZ 4.47Å; V104-F130 HydrophobicContact CG2-CE2 4.09Å
105R84.7Confident75.3Confident139 Ų13969.4 Ų69.453%0.52536%0.362SS..EExtended strand (participates in β ladder)trans-80.5108.1174.4-168.3174.5-177.5179.62.2109.4E56 P113 V114E56-R105 PolarHBondContact N-O 3.22Å; E56-R105 PolarHBondContact OE1-N 3.1Å; R105-P113 HydrophobicContact CG-CB 3.92Å; R105-P113 VanDerWaalsContact NE-CB 3.34Å; R105-V114 WeakPolarHBondContact CA-O 3.33Å
106L85.8Confident76.6Confident0 Ų063.4 Ų63.40%033%0.334CS..EExtended strand (participates in β ladder)trans-99.4141174.7-56.5-178.3000109.9M53 R54 V55 V104 P113 V114 V116 F130 L132 V136 W140M53-L106 HydrophobicContact SD-CB 4.05Å; M53-L106 HydrophobicContact SD-CD1 4.22Å; M53-L106 HydrophobicContact SD-CD2 4.01Å; M53-L106 HydrophobicContact SD-CG 4.33Å; R54-L106 CarbonylContact O-C 3.58Å; R54-L106 WeakPolarHBondContact O-CA 3.45Å; V55-L106 HydrophobicContact CB-CD2 4.39Å; V55-L106 HydrophobicContact CG1-CD2 4.15Å; V55-L106 HydrophobicContact CG2-CD2 3.95Å; V104-L106 HydrophobicContact CG1-CD2 4.02Å; V104-L106 PolarHBondContact O-N 2.92Å; L106-P113 CarbonylContact O-C 3.55Å; L106-P113 WeakPolarHBondContact O-CA 3.34Å; L106-V114 HydrophobicContact CB-CG2 4.13Å; L106-V114 PolarHBondContact N-O 3.28Å; L106-V114 PolarHBondContact O-N 2.8Å; L106-V116 HydrophobicContact CD1-CB 4.42Å; L106-V116 HydrophobicContact CD1-CG1 4.11Å; L106-V116 HydrophobicContact CD1-CG2 3.43Å; L106-V116 VanDerWaalsContact CD1-CG2 3.43Å; L106-V116 HydrophobicContact CG-CG2 3.84Å; L106-F130 HydrophobicContact CD1-CE1 4.23Å; L106-F130 HydrophobicContact CD1-CZ 4.21Å; L106-F130 HydrophobicContact CD2-CE1 4Å; L106-F130 HydrophobicContact CD2-CE2 4.23Å; L106-F130 HydrophobicContact CD2-CZ 3.75Å; L106-F130 HydrophobicContact CG-CZ 4.47Å; L106-L132 HydrophobicContact CD1-CD2 3.69Å; L106-V136 HydrophobicContact CD1-CG1 4.32Å; L106-V136 HydrophobicContact CD1-CG2 3.82Å; L106-W140 HydrophobicContact CB-CH2 3.49Å; L106-W140 VanDerWaalsContact CB-CH2 3.49Å; L106-W140 HydrophobicContact CB-CZ3 3.84Å; L106-W140 HydrophobicContact CD1-CZ3 4.29Å; L106-W140 WeakPolarHBondContact O-CH2 3.22Å
107Q84.6Confident77.8Confident64 Ų6466 Ų6630%0.29935%0.345SS..EExtended strand (participates in β ladder)trans-140112172.4177.4-178.53500110.9M53 R54 P113M53-Q107 WeakPolarHBondContact CB-O 3.37Å; R54-Q107 HydrophobicContact CB-CB 4.14Å; R54-Q107 PolarHBondContact N-O 2.84Å; R54-Q107 PolarHBondContact O-N 3.4Å; Q107-P113 HydrophobicContact CB-CB 4.21Å; Q107-P113 HydrophobicContact CB-CG 4.15Å; Q107-P113 HydrophobicContact CG-CG 4.08Å
108L83.2Confident79.1Confident35 Ų3556.3 Ų56.318%0.18331%0.309CS..  trans-79.7147.2168.2-16668.7000110V51 M53 G110 R111 W140V51-L108 HydrophobicContact CG2-CD1 3.75Å; M53-L108 HydrophobicContact CB-CD1 4.2Å; L108-G110 PolarHBondContact O-N 3.19Å; L108-R111 HydrophobicContact CB-CB 4.18Å; L108-R111 HydrophobicContact CB-CG 4.15Å; L108-R111 HydrophobicContact CD2-CG 4.34Å; L108-R111 PolarHBondContact O-N 2.95Å; L108-W140 HydrophobicContact CB-CH2 4.23Å; L108-W140 HydrophobicContact CB-CZ2 4.22Å
109A78.8Confident80Confident92 Ų9256.4 Ų56.476%0.7631%0.309SS*.THydrogen-bonded Turntrans-53.7131.3176.200000111.2R111A109-R111 PolarHBondContact O-N 3.5Å
110G79.2Confident80.7Confident96 Ų9654.1 Ų54.199%0.9930%0.298SS*.THydrogen-bonded Turntrans726-177.700000115.3L108L108-G110 PolarHBondContact O-N 3.19Å
111R78.6Confident81Confident74 Ų7454.2 Ų54.228%0.27930%0.3SS..SBendtrans-114.5153.2176.1-60.4-164.8175.2-82.5-24.3112.2L108 A109 W140 V142L108-R111 HydrophobicContact CB-CB 4.18Å; L108-R111 HydrophobicContact CB-CG 4.15Å; L108-R111 HydrophobicContact CD2-CG 4.34Å; L108-R111 PolarHBondContact O-N 2.95Å; A109-R111 PolarHBondContact O-N 3.5Å; R111-W140 HydrophobicContact CB-CZ2 4.46Å; R111-W140 VanDerWaalsContact CD-CD1 3.45Å; R111-V142 VanDerWaalsContact CZ-CB 3.48Å
112N82.4Confident80.8Confident137 Ų13757.4 Ų57.473%0.73331%0.312SS*.  trans-63.6142.1168-70-29.2000109.9W140N112-W140 PolarHBondContact O-NE1 3.41Å
113P86Confident80.4Confident42 Ų4260.2 Ų60.227%0.27333%0.327SS..  trans-59.1144.4172.4-22.232.9000111.6R105 L106 Q107R105-P113 HydrophobicContact CG-CB 3.92Å; R105-P113 VanDerWaalsContact NE-CB 3.34Å; L106-P113 CarbonylContact O-C 3.55Å; L106-P113 WeakPolarHBondContact O-CA 3.34Å; Q107-P113 HydrophobicContact CB-CB 4.21Å; Q107-P113 HydrophobicContact CB-CG 4.15Å; Q107-P113 HydrophobicContact CG-CG 4.08Å
114V85.8Confident79.7Confident25 Ų2559 Ų5915%0.15232%0.324CS..EExtended strand (participates in β ladder)trans-127.5143.6175.6-57.90000109.4R105 L106 V116 C139 W140R105-V114 WeakPolarHBondContact CA-O 3.33Å; L106-V114 HydrophobicContact CB-CG2 4.13Å; L106-V114 PolarHBondContact N-O 3.28Å; L106-V114 PolarHBondContact O-N 2.8Å; V114-V116 HydrophobicContact CG2-CG1 4.13Å; V114-C139 HydrophobicContact CB-CB 3.96Å; V114-C139 HydrophobicContact CG1-CB 4Å; V114-C139 HydrophobicContact CG2-CB 3.98Å; V114-W140 HydrophobicContact CB-CZ2 4.26Å; V114-W140 HydrophobicContact CG1-CD2 4.43Å; V114-W140 HydrophobicContact CG1-CZ2 3.96Å; V114-W140 HydrophobicContact CG2-CD2 4.08Å; V114-W140 HydrophobicContact CG2-CE3 4.08Å; V114-W140 HydrophobicContact CG2-CH2 3.5Å; V114-W140 HydrophobicContact CG2-CZ2 3.46Å; V114-W140 VanDerWaalsContact CG2-CZ2 3.46Å; V114-W140 HydrophobicContact CG2-CZ3 3.79Å
115E85.3Confident79.1Confident140 Ų14060.3 Ų60.365%0.65433%0.33SS*.EExtended strand (participates in β ladder)trans-96.6125.1173.6-67.7-176.3127.200109.5V104V104-E115 WeakPolarHBondContact O-CA 3.17Å
116V83.5Confident78.3Confident4 Ų458 Ų582%0.02433%0.327CS..EExtended strand (participates in β ladder)trans-122.1141178.3-57.30000110.5C71 F103 V104 L106 V114 A118 F130 V136C71-V116 HydrophobicContact CB-CG2 4.46Å; F103-V116 CarbonylContact C-O 3.59Å; F103-V116 WeakPolarHBondContact CA-O 3.43Å; V104-V116 HydrophobicContact CB-CG2 4.39Å; V104-V116 PolarHBondContact N-O 3.18Å; V104-V116 PolarHBondContact O-N 3.31Å; L106-V116 HydrophobicContact CD1-CB 4.42Å; L106-V116 HydrophobicContact CD1-CG1 4.11Å; L106-V116 HydrophobicContact CD1-CG2 3.43Å; L106-V116 VanDerWaalsContact CD1-CG2 3.43Å; L106-V116 HydrophobicContact CG-CG2 3.84Å; V114-V116 HydrophobicContact CG2-CG1 4.13Å; V116-A118 PolarHBondContact O-N 2.98Å; V116-F130 HydrophobicContact CG2-CZ 4.49Å; V116-V136 HydrophobicContact CB-CG2 4.18Å; V116-V136 HydrophobicContact CG1-CB 4.4Å; V116-V136 HydrophobicContact CG1-CG2 3.77Å; V116-V136 HydrophobicContact CG2-CG2 4.07Å
117K83.2Confident77.6Confident97 Ų9766.1 Ų66.142%0.42236%0.358SS..EExtended strand (participates in β ladder)trans-70.6124.9171.2-171171.5-177172.60109.8G102 F103 N135G102-K117 CarbonylContact O-C 3.21Å; G102-K117 WeakPolarHBondContact O-CA 3.46Å; F103-K117 HydrophobicContact CD1-CB 4.43Å; F103-K117 HydrophobicContact CE1-CB 4.23Å; K117-N135 PolarHBondContact O-ND2 3Å
118A82Confident77Confident0 Ų064.5 Ų64.50%035%0.35CS..EExtended strand (participates in β ladder)trans-127.2157.5175.900000111.1C71 W81 T101 G102 V104 V116 F130C71-A118 HydrophobicContact CB-CB 3.56Å; C71-A118 CarbonylContact O-C 3.58Å; C71-A118 VanDerWaalsContact O-CA 3.25Å; C71-A118 WeakPolarHBondContact O-CA 3.33Å; W81-A118 HydrophobicContact CH2-CB 3.66Å; W81-A118 HydrophobicContact CZ3-CB 4.26Å; W81-A118 WeakPolarHBondContact CZ3-O 3.09Å; T101-A118 VanDerWaalsContact CA-O 3.24Å; T101-A118 WeakPolarHBondContact CA-O 3.34Å; G102-A118 PolarHBondContact N-O 2.85Å; G102-A118 PolarHBondContact O-N 3.47Å; V104-A118 HydrophobicContact CG2-CB 3.51Å; V116-A118 PolarHBondContact O-N 2.98Å; A118-F130 HydrophobicContact CB-CE2 4.3Å; A118-F130 HydrophobicContact CB-CZ 4.46Å
119T80.1Confident76.8Confident5 Ų564.9 Ų64.93%0.03135%0.353CS..EExtended strand (participates in β ladder)trans-97.5133.2173.4-570000109.1C71 V72 A73 I86 L88 C98 G100C71-T119 PolarHBondContact O-N 3.29Å; V72-T119 CarbonylContact C-O 3.58Å; V72-T119 VanDerWaalsContact CA-O 3.27Å; V72-T119 WeakPolarHBondContact CA-O 3.31Å; V72-T119 WeakPolarHBondContact CG1-O 3.28Å; A73-T119 PolarHBondContact N-O 2.88Å; I86-T119 HydrophobicContact CD1-CG2 4.37Å; L88-T119 HydrophobicContact CD1-CG2 4.15Å; L88-T119 HydrophobicContact CG-CG2 4.48Å; C98-T119 HydrophobicContact CB-CG2 3.52Å; C98-T119 WeakPolarHBondContact SG-CG2 2.97Å; G100-T119 CarbonylContact O-C 3.36Å; G100-T119 WeakPolarHBondContact O-CA 3.14Å
120L76.9Confident76.8Confident2 Ų260.6 Ų60.61%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-87.9119.3179-163.867.8000109.9A73 H74 R78 W81 C98 E99 G100A73-L120 HydrophobicContact CB-CD1 4.3Å; A73-L120 CarbonylContact O-C 3.52Å; A73-L120 WeakPolarHBondContact O-CA 3.45Å; H74-L120 WeakPolarHBondContact O-CD1 3.43Å; R78-L120 HydrophobicContact CB-CD2 4.46Å; R78-L120 HydrophobicContact CG-CD2 4.13Å; W81-L120 HydrophobicContact CD2-CD1 4.33Å; W81-L120 HydrophobicContact CE3-CB 3.97Å; W81-L120 HydrophobicContact CE3-CD1 4.15Å; W81-L120 HydrophobicContact CE3-CG 4.47Å; W81-L120 HydrophobicContact CH2-CD1 4.19Å; W81-L120 HydrophobicContact CZ2-CD1 4.35Å; W81-L120 HydrophobicContact CZ3-CB 3.9Å; W81-L120 HydrophobicContact CZ3-CD1 4.13Å; C98-L120 CarbonylContact C-O 3.53Å; C98-L120 WeakPolarHBondContact CA-O 3.48Å; C98-L120 WeakPolarHBondContact CB-O 3.48Å; E99-L120 HydrophobicContact CB-CB 4.44Å; E99-L120 HydrophobicContact CB-CD2 3.93Å; E99-L120 HydrophobicContact CB-CG 4.4Å; E99-L120 PolarHBondContact N-O 2.82Å; G100-L120 PolarHBondContact O-N 2.9Å
121A73.1Confident77Confident4 Ų456.8 Ų56.83%0.03327%0.273CS..EExtended strand (participates in β ladder)trans-106.6138.5174.800000110.4V72 A73 H74 A75 T123V72-A121 HydrophobicContact CG1-CB 3.76Å; A73-A121 PolarHBondContact O-N 3.13Å; H74-A121 CarbonylContact C-O 3.46Å; H74-A121 WeakPolarHBondContact CA-O 3.49Å; H74-A121 PolarHBondContact CD2-O 2.7Å; A75-A121 PolarHBondContact N-O 2.78Å; A121-T123 VanDerWaalsContact C-N 3.26Å
122E68.2Low77.3Confident105 Ų10553.3 Ų53.349%0.49126%0.26SS..SBendtrans-76.2-17.5173.2-63.6178.1-163.700112.3H74 E99H74-E122 PolarHBondContact NE2-O 2.83Å; E99-E122 HydrophobicContact CG-CG 3.61Å; E99-E122 WeakPolarHBondContact CG-OE1 3.23Å
123T65.8Low77.2Confident68 Ų6846.8 Ų46.842%0.41723%0.225SC..SBendtrans-101.3133.9-179.6-46.80000110.2F96 A121F96-T123 HydrophobicContact CE1-CG2 4.28Å; A121-T123 VanDerWaalsContact C-N 3.26Å
124E66.1Low77Confident111 Ų11148.7 Ų48.752%0.51923%0.231SC..  trans-58.2142.8171.7-67.3-177167.900111.9L126E124-L126 PolarHBondContact O-N 2.89Å
125L68.2Low76.7Confident26 Ų2648.6 Ų48.614%0.13623%0.23CC..BIsolated β-bridgetrans-97.386.8-174.8-58.5172.1000109.9V72 W127 F128 K131V72-L125 HydrophobicContact CB-CD1 3.64Å; V72-L125 HydrophobicContact CG1-CD1 3.69Å; V72-L125 HydrophobicContact CG1-CD2 4.05Å; V72-L125 HydrophobicContact CG1-CG 4.39Å; V72-L125 WeakPolarHBondContact O-CD1 3.45Å; L125-W127 VanDerWaalsContact C-N 3.29Å; L125-W127 PolarHBondContact O-N 3.4Å; L125-F128 WeakPolarHBondContact CB-O 3.29Å; L125-F128 PolarHBondContact N-O 3.3Å; L125-F128 WeakPolarHBondContact O-CB 3.45Å; L125-F128 WeakPolarHBondContact O-CD2 3.37Å; L125-F128 PolarHBondContact O-N 3.26Å; L125-K131 HydrophobicContact CD1-CB 3.62Å
126L68.4Low76.2Confident90 Ų9042 Ų4247%0.47120%0.199SC..THydrogen-bonded Turntrans51.149.4-178.4-60.3170.6000111.4L44 L48 L63 E124 F128L44-L126 HydrophobicContact CD2-CD1 4.4Å; L48-L126 HydrophobicContact CD1-CD1 4.27Å; L63-L126 HydrophobicContact CD2-CD1 4.24Å; E124-L126 PolarHBondContact O-N 2.89Å; L126-F128 HydrophobicContact CB-CD2 4.42Å; L126-F128 WeakPolarHBondContact O-CD2 3.36Å; L126-F128 WeakPolarHBondContact O-CE2 3.39Å; L126-F128 PolarHBondContact O-N 3.39Å
127W70.2Confident75.6Confident172 Ų17246.1 Ų46.165%0.65221%0.214SC*.THydrogen-bonded Turntrans68.85.4-177-36.6-71000115.6L44 L125L44-W127 HydrophobicContact CD2-CZ3 4.2Å; L125-W127 VanDerWaalsContact C-N 3.29Å; L125-W127 PolarHBondContact O-N 3.4Å
128F72.7Confident75Confident29 Ų2949.8 Ų49.813%0.12723%0.233CC..BIsolated β-bridgetrans-100.3137.3171.5-60.4-87.2000111.2L48 T50 D61 L63 L125 L126 F130L48-F128 HydrophobicContact CD1-CE2 3.77Å; T50-F128 HydrophobicContact CG2-CE1 3.69Å; T50-F128 HydrophobicContact CG2-CZ 4.29Å; T50-F128 WeakPolarHBondContact OG1-CZ 3.43Å; D61-F128 HydrophobicContact CB-CE1 4.43Å; D61-F128 WeakPolarHBondContact O-CD1 3.24Å; L63-F128 HydrophobicContact CB-CB 4.26Å; L63-F128 HydrophobicContact CB-CD1 4.24Å; L63-F128 HydrophobicContact CB-CD2 3.76Å; L63-F128 HydrophobicContact CB-CE2 4.15Å; L63-F128 HydrophobicContact CB-CG 3.82Å; L63-F128 HydrophobicContact CD1-CE2 4.36Å; L63-F128 HydrophobicContact CD2-CD2 4.2Å; L63-F128 HydrophobicContact CG-CD2 4.43Å; L125-F128 WeakPolarHBondContact CB-O 3.29Å; L125-F128 PolarHBondContact N-O 3.3Å; L125-F128 WeakPolarHBondContact O-CB 3.45Å; L125-F128 WeakPolarHBondContact O-CD2 3.37Å; L125-F128 PolarHBondContact O-N 3.26Å; L126-F128 HydrophobicContact CB-CD2 4.42Å; L126-F128 WeakPolarHBondContact O-CD2 3.36Å; L126-F128 WeakPolarHBondContact O-CE2 3.39Å; L126-F128 PolarHBondContact O-N 3.39Å; F128-F130 VanDerWaalsContact C-N 3.26Å; F128-F130 PolarHBondContact O-N 2.95Å
129D78.1Confident74.3Confident44 Ų4452.3 Ų52.324%0.23525%0.25CC..SBendtrans-76.3-13.1170.7-76.5-46.2000112.9R60 H74 S76R60-D129 IonicContact NH1-OD2 2.88Å; R60-D129 PolarHBondContact NH1-OD2 3.3Å; H74-D129 HydrophobicContact CB-CB 4.29Å; H74-D129 WeakPolarHBondContact CB-O 3.12Å; H74-D129 IonicContact CG-OD1 3.81Å; H74-D129 PolarHBondContact N-O 2.91Å; H74-D129 IonicContact ND1-OD1 3.1Å; H74-D129 PolarHBondContact ND1-OD1 2.99Å; H74-D129 VanDerWaalsContact ND1-OD1 3.1Å; S76-D129 VanDerWaalsContact OG-CG 3.29Å; S76-D129 PolarHBondContact OG-OD1 3.09Å
130F80.1Confident73.5Confident1 Ų152.6 Ų52.60%0.00425%0.25CS..EExtended strand (participates in β ladder)trans-150.4140.4-177.8-163.2-85000111.9V55 I62 L63 C71 V72 A73 V104 L106 V116 A118 F128 L132V55-F130 HydrophobicContact CG1-CD2 3.93Å; V55-F130 HydrophobicContact CG1-CE2 4.25Å; V55-F130 HydrophobicContact CG2-CG 4.42Å; I62-F130 HydrophobicContact CD1-CB 4.05Å; I62-F130 HydrophobicContact CD1-CD1 3.71Å; I62-F130 HydrophobicContact CD1-CE1 4.48Å; I62-F130 HydrophobicContact CD1-CG 4.08Å; I62-F130 HydrophobicContact CG1-CB 4.18Å; I62-F130 HydrophobicContact CG1-CD1 4.41Å; I62-F130 HydrophobicContact CG2-CB 4.44Å; I62-F130 HydrophobicContact CG2-CD1 3.69Å; I62-F130 WeakPolarHBondContact CG2-O 3.09Å; L63-F130 PolarHBondContact N-O 3.33Å; C71-F130 HydrophobicContact CB-CE1 4.06Å; C71-F130 HydrophobicContact CB-CZ 3.67Å; V72-F130 CarbonylContact O-C 3.46Å; V72-F130 WeakPolarHBondContact O-CA 3.27Å; A73-F130 HydrophobicContact CB-CD2 3.6Å; A73-F130 HydrophobicContact CB-CE2 3.81Å; V104-F130 HydrophobicContact CB-CE2 4.16Å; V104-F130 HydrophobicContact CG1-CE2 3.85Å; V104-F130 HydrophobicContact CG1-CZ 4.47Å; V104-F130 HydrophobicContact CG2-CE2 4.09Å; L106-F130 HydrophobicContact CD1-CE1 4.23Å; L106-F130 HydrophobicContact CD1-CZ 4.21Å; L106-F130 HydrophobicContact CD2-CE1 4Å; L106-F130 HydrophobicContact CD2-CE2 4.23Å; L106-F130 HydrophobicContact CD2-CZ 3.75Å; L106-F130 HydrophobicContact CG-CZ 4.47Å; V116-F130 HydrophobicContact CG2-CZ 4.49Å; A118-F130 HydrophobicContact CB-CE2 4.3Å; A118-F130 HydrophobicContact CB-CZ 4.46Å; F128-F130 VanDerWaalsContact C-N 3.26Å; F128-F130 PolarHBondContact O-N 2.95Å; F130-L132 HydrophobicContact CE1-CD2 3.91Å; F130-L132 HydrophobicContact CE1-CG 4.36Å
131K82.7Confident72.4Confident17 Ų1756.5 Ų56.57%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-123.5124.4172.4-176.2174.7-174.2173.40110.2L9 L63 C68 C71 V72 L125 G133L9-K131 HydrophobicContact CD2-CD 4Å; L63-K131 HydrophobicContact CB-CG 4.37Å; L63-K131 HydrophobicContact CD2-CD 4.19Å; L63-K131 HydrophobicContact CD2-CG 4.39Å; L63-K131 HydrophobicContact CG-CG 4.3Å; L63-K131 CarbonylContact O-C 3.53Å; L63-K131 VanDerWaalsContact O-CA 3.28Å; L63-K131 WeakPolarHBondContact O-CA 3.42Å; C68-K131 WeakPolarHBondContact SG-CE 3.33Å; C68-K131 PolarHBondContact SG-NZ 3.41Å; C71-K131 CarbonylContact C-O 3.48Å; C71-K131 VanDerWaalsContact CA-O 3.23Å; C71-K131 WeakPolarHBondContact CA-O 3.25Å; V72-K131 PolarHBondContact N-O 3.01Å; V72-K131 PolarHBondContact O-N 2.86Å; L125-K131 HydrophobicContact CD1-CB 3.62Å; K131-G133 PolarHBondContact O-N 2.74Å
132L84.1Confident71.3Confident0 Ų060.3 Ų60.30%030%0.298CS..EExtended strand (participates in β ladder)trans-72127.1171.3-71.1165.6000110.1V51 M53 I62 L63 V64 G65 L106 F130 V136V51-L132 HydrophobicContact CG1-CD1 3.71Å; M53-L132 HydrophobicContact CE-CD1 3.3Å; M53-L132 HydrophobicContact CE-CD2 3.81Å; M53-L132 HydrophobicContact CE-CG 3.89Å; M53-L132 HydrophobicContact SD-CD2 4.37Å; I62-L132 HydrophobicContact CG2-CB 4.47Å; I62-L132 HydrophobicContact CG2-CD1 4.02Å; I62-L132 HydrophobicContact CG2-CG 3.66Å; L63-L132 PolarHBondContact O-N 3.21Å; V64-L132 HydrophobicContact CG2-CD1 4.02Å; G65-L132 VanDerWaalsContact CA-O 3.27Å; G65-L132 WeakPolarHBondContact CA-O 3.1Å; G65-L132 PolarHBondContact N-O 3.37Å; L106-L132 HydrophobicContact CD1-CD2 3.69Å; F130-L132 HydrophobicContact CE1-CD2 3.91Å; F130-L132 HydrophobicContact CE1-CG 4.36Å; L132-V136 HydrophobicContact CD2-CB 3.96Å; L132-V136 HydrophobicContact CD2-CG1 3.93Å; L132-V136 HydrophobicContact CD2-CG2 3.39Å
133G81.5Confident70.4Confident0 Ų059.5 Ų59.50%030%0.297CS..  trans-94.8168.8162.500000111.8C68 C71 K131 N135 V136C68-G133 CarbonylContact O-C 3.51Å; C68-G133 WeakPolarHBondContact O-CA 3.45Å; C71-G133 PolarHBondContact SG-N 2.84Å; K131-G133 PolarHBondContact O-N 2.74Å; G133-N135 PolarHBondContact O-N 2.87Å; G133-N135 PolarHBondContact O-OD1 3.11Å; G133-V136 PolarHBondContact O-N 2.69Å; G133-V136 VanDerWaalsContact O-N 3.1Å
134M80.8Confident69.1Low83 Ų8364.4 Ų64.441%0.40931%0.307SS..G310 helixtrans-58.1-19.6177.3-64.5176.373.700113.5C68 V136 W137C68-M134 WeakPolarHBondContact O-CG 3.41Å; C68-M134 PolarHBondContact O-N 3.34Å; M134-V136 PolarHBondContact O-N 3.01Å; M134-W137 HydrophobicContact CB-CD2 4.14Å; M134-W137 HydrophobicContact CB-CE3 4.18Å; M134-W137 HydrophobicContact CB-CZ3 4.47Å; M134-W137 HydrophobicContact CE-CE3 4Å; M134-W137 HydrophobicContact CE-CH2 4.23Å; M134-W137 HydrophobicContact CE-CZ3 3.58Å; M134-W137 HydrophobicContact CG-CD2 4.15Å; M134-W137 HydrophobicContact CG-CE3 4Å; M134-W137 HydrophobicContact CG-CH2 3.73Å; M134-W137 HydrophobicContact CG-CZ2 3.87Å; M134-W137 HydrophobicContact CG-CZ3 3.8Å; M134-W137 WeakPolarHBondContact O-CB 3.17Å; M134-W137 PolarHBondContact O-N 2.93Å; M134-W137 HydrophobicContact SD-CH2 4.47Å; M134-W137 HydrophobicContact SD-CZ3 4.35Å
135N79.2Confident67.9Low23 Ų2361.3 Ų61.312%0.12330%0.301CS..G310 helixtrans-63.9-18176.169-53.6000113.8S69 K70 C71 K117 G133S69-N135 PolarHBondContact O-N 3.39Å; K70-N135 WeakPolarHBondContact CA-OD1 3.42Å; C71-N135 PolarHBondContact N-OD1 3.47Å; C71-N135 PolarHBondContact SG-OD1 2.81Å; K117-N135 PolarHBondContact O-ND2 3Å; G133-N135 PolarHBondContact O-N 2.87Å; G133-N135 PolarHBondContact O-OD1 3.11Å
136V74.4Confident66.4Low0 Ų065.6 Ų65.60%033%0.33CS..G310 helixtrans-77.7-26.6172.3178.70000112.1C71 L106 V116 L132 G133 M134 Q138 C139 W140C71-V136 WeakPolarHBondContact SG-CG2 3.45Å; L106-V136 HydrophobicContact CD1-CG1 4.32Å; L106-V136 HydrophobicContact CD1-CG2 3.82Å; V116-V136 HydrophobicContact CB-CG2 4.18Å; V116-V136 HydrophobicContact CG1-CB 4.4Å; V116-V136 HydrophobicContact CG1-CG2 3.77Å; V116-V136 HydrophobicContact CG2-CG2 4.07Å; L132-V136 HydrophobicContact CD2-CB 3.96Å; L132-V136 HydrophobicContact CD2-CG1 3.93Å; L132-V136 HydrophobicContact CD2-CG2 3.39Å; G133-V136 PolarHBondContact O-N 2.69Å; G133-V136 VanDerWaalsContact O-N 3.1Å; M134-V136 PolarHBondContact O-N 3.01Å; V136-Q138 PolarHBondContact O-N 3.3Å; V136-Q138 VanDerWaalsContact O-N 3.13Å; V136-C139 WeakPolarHBondContact O-CB 3.03Å; V136-C139 PolarHBondContact O-N 2.86Å; V136-W140 HydrophobicContact CG1-CE3 3.51Å; V136-W140 HydrophobicContact CG1-CZ3 3.84Å; V136-W140 PolarHBondContact O-N 3.18Å
137W72.6Confident65.1Low92 Ų9268.8 Ų68.835%0.34834%0.343SS..THydrogen-bonded Turntrans-65.1-23.9-173.3-56.6-3.6000112T66 M134 C139 W140T66-W137 HydrophobicContact CG2-CH2 4.5Å; T66-W137 HydrophobicContact CG2-CZ2 4.4Å; M134-W137 HydrophobicContact CB-CD2 4.14Å; M134-W137 HydrophobicContact CB-CE3 4.18Å; M134-W137 HydrophobicContact CB-CZ3 4.47Å; M134-W137 HydrophobicContact CE-CE3 4Å; M134-W137 HydrophobicContact CE-CH2 4.23Å; M134-W137 HydrophobicContact CE-CZ3 3.58Å; M134-W137 HydrophobicContact CG-CD2 4.15Å; M134-W137 HydrophobicContact CG-CE3 4Å; M134-W137 HydrophobicContact CG-CH2 3.73Å; M134-W137 HydrophobicContact CG-CZ2 3.87Å; M134-W137 HydrophobicContact CG-CZ3 3.8Å; M134-W137 WeakPolarHBondContact O-CB 3.17Å; M134-W137 PolarHBondContact O-N 2.93Å; M134-W137 HydrophobicContact SD-CH2 4.47Å; M134-W137 HydrophobicContact SD-CZ3 4.35Å; W137-C139 VanDerWaalsContact C-N 3.34Å; W137-W140 CarbonylContact O-C 3.58Å
138Q69.1Low63.7Low174 Ų17465.7 Ų65.781%0.81335%0.348SS*.THydrogen-bonded Turntrans-72-27.1173.3-61.3178.117.400112.5V136V136-Q138 PolarHBondContact O-N 3.3Å; V136-Q138 VanDerWaalsContact O-N 3.13Å
139C68.5Low61.9Low52 Ų5269.3 Ų69.335%0.35138%0.383SS..THydrogen-bonded Turntrans-89.2-27.8-178.1-56.80000112.8V114 V136 W137V114-C139 HydrophobicContact CB-CB 3.96Å; V114-C139 HydrophobicContact CG1-CB 4Å; V114-C139 HydrophobicContact CG2-CB 3.98Å; V136-C139 WeakPolarHBondContact O-CB 3.03Å; V136-C139 PolarHBondContact O-N 2.86Å; W137-C139 VanDerWaalsContact C-N 3.34Å
140W63.6Low60.1Low12 Ų1271.4 Ų71.45%0.04541%0.406CS..  trans-127.589.2175.3-73-41.2000111.2M53 L106 L108 R111 N112 V114 V136 W137 V142 I143M53-W140 HydrophobicContact SD-CZ3 4.4Å; L106-W140 HydrophobicContact CB-CH2 3.49Å; L106-W140 VanDerWaalsContact CB-CH2 3.49Å; L106-W140 HydrophobicContact CB-CZ3 3.84Å; L106-W140 HydrophobicContact CD1-CZ3 4.29Å; L106-W140 WeakPolarHBondContact O-CH2 3.22Å; L108-W140 HydrophobicContact CB-CH2 4.23Å; L108-W140 HydrophobicContact CB-CZ2 4.22Å; R111-W140 HydrophobicContact CB-CZ2 4.46Å; R111-W140 VanDerWaalsContact CD-CD1 3.45Å; N112-W140 PolarHBondContact O-NE1 3.41Å; V114-W140 HydrophobicContact CB-CZ2 4.26Å; V114-W140 HydrophobicContact CG1-CD2 4.43Å; V114-W140 HydrophobicContact CG1-CZ2 3.96Å; V114-W140 HydrophobicContact CG2-CD2 4.08Å; V114-W140 HydrophobicContact CG2-CE3 4.08Å; V114-W140 HydrophobicContact CG2-CH2 3.5Å; V114-W140 HydrophobicContact CG2-CZ2 3.46Å; V114-W140 VanDerWaalsContact CG2-CZ2 3.46Å; V114-W140 HydrophobicContact CG2-CZ3 3.79Å; V136-W140 HydrophobicContact CG1-CE3 3.51Å; V136-W140 HydrophobicContact CG1-CZ3 3.84Å; V136-W140 PolarHBondContact O-N 3.18Å; W137-W140 CarbonylContact O-C 3.58Å; W140-V142 PolarHBondContact O-N 2.79Å; W140-I143 PolarHBondContact O-N 3.02Å
141P52.8Low58.1Low83 Ų8378.7 Ų78.754%0.53948%0.481SS..THydrogen-bonded Turntrans-63-0.2179.814.2-21.4000115.1
142V50.5Low56.8Low84 Ų8481.8 Ų81.851%0.50950%0.502SS..THydrogen-bonded Turntrans-111.613.2-171.4-167.70000112.9R111 W140 R144R111-V142 VanDerWaalsContact CZ-CB 3.48Å; W140-V142 PolarHBondContact O-N 2.79Å; V142-R144 PolarHBondContact O-N 3.17Å; V142-R144 VanDerWaalsContact O-N 3.17Å
143I49.7Very low55.4Low89 Ų8986.1 Ų86.146%0.45653%0.528SS..  trans-84.244.2153.4-42.3177.9000108.3W140W140-I143 PolarHBondContact O-N 3.02Å
144R38.3Very low53.9Low170 Ų17090.8 Ų90.864%0.64256%0.557SS**SBendtrans-114.8121.3172-147.3-175.1-66.4-163.3-1.3104.1V142V142-R144 PolarHBondContact O-N 3.17Å; V142-R144 VanDerWaalsContact O-N 3.17Å
145A40.7Very low52.4Low47 Ų4791.3 Ų91.339%0.38857%0.566SS.*  trans-45.7144.9171.200000109.1Q147A145-Q147 PolarHBondContact O-N 3.16Å
146P36.2Very low50.7Low115 Ų11595.6 Ų95.675%0.74759%0.594SS**  trans-53.4116.5177.622-31.1000107.7S148P146-S148 PolarHBondContact O-N 2.69Å
147Q41.7Very low49.1Very low157 Ų157101.9 Ų101.973%0.73463%0.634SS**  trans-61.5115.3162-70.6-163.52.700104.5A145 A149A145-Q147 PolarHBondContact O-N 3.16Å; Q147-A149 PolarHBondContact O-N 3.04Å
148S39.9Very low47.4Very low108 Ų108102.6 Ų102.676%0.75565%0.654SS**  trans-53.2107.6168.755.70000106.8P146 A150P146-S148 PolarHBondContact O-N 2.69Å; S148-A150 PolarHBondContact O-N 3.2Å
149A35.2Very low45.8Very low104 Ų10497.2 Ų97.286%0.8664%0.642SS**  trans-65.484.2154.900000105.9Q147Q147-A149 PolarHBondContact O-N 3.04Å
150A40.8Very low43.9Very low88 Ų88100.9 Ų100.973%0.72767%0.666SS**  trans-79.2122.7154.200000105.3S148S148-A150 PolarHBondContact O-N 3.2Å
151G37Very low42.1Very low154 Ų154109 Ų109100%1.58872%0.722SS**  trans-700174.800000113.3

Retrieved 151 of 151 residues in 106.8 ms (Link to these results)