A0A077ZDE6_TRITR Loading...

CBM 14 and TSP 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDE6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 363 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M40.8Very low32.6Very low249 Ų249182.5 Ų182.5100%1.22786%0.863SS**  0920-86.2155.9169.200108.8
2G36Very low32.1Very low79 Ų79182.3 Ų182.381%0.81486%0.856SS**  trans-96.3107.4-179.900000110.8K4G2-K4 PolarHBondContact O-N 3.2Å
3M36.7Very low31.7Very low191 Ų191177.3 Ų177.394%0.94185%0.845SS**  trans-77.799.4175.9-86.2-179.2166.700111.1
4K34.9Very low31.1Very low201 Ų201172.9 Ų172.987%0.87484%0.843SS**  trans25102.5136.3-61.6-177.6179.1-179.90117.7G2G2-K4 PolarHBondContact O-N 3.2Å
5K33.8Very low30.7Very low217 Ų217166.3 Ų166.394%0.94384%0.837SS**  trans-88.5122.6147.4-74-178.5176.9179.90108.6
6A29.5Very low30.3Very low82 Ų82161.8 Ų161.868%0.67883%0.834SS**  trans-149.7118.3169.200000107
7Q30.8Very low29.9Very low169 Ų169161.3 Ų161.379%0.7983%0.832SS**  145.5147.7114.7-87.1172.7-6200104.7
8Q32.1Very low29.6Very low149 Ų149162.6 Ų162.670%0.69683%0.834SS**  cis-162.9120.411.5-144.2152.4-50.200109
9R26.1Very low29.2Very low219 Ų219166.4 Ų166.483%0.82684%0.836SS**  34.4121.3127.3-67-176.2170.6-168.3-2.7120.9
10R30.4Very low29Very low220 Ų220165.9 Ų165.983%0.8384%0.836SS**  146.1111.2120.3-80.3179.4-170.4-163.53.1108.8
11R27.6Very low28.8Very low232 Ų232167 Ų16788%0.87584%0.838SS**  51.6132.897.2-79.3-170.7-178.8-176.71.2111.9
12K26.1Very low28.2Very low180 Ų180161.7 Ų161.778%0.78382%0.821SS**  cis-174.6149.8-0.3-129-168.9177.3-174.60104.2
13V27.4Very low27.8Very low117 Ų117166.2 Ų166.271%0.70983%0.825SS**  trans70.7104.1147.4-175.30000119
14S23.8Very low27.3Very low116 Ų116166 Ų16681%0.81182%0.822SS**  trans-18.8133.7137.251.20000118.4
15G24.8Very low27Very low74 Ų74162.7 Ų162.776%0.76382%0.818SS**  trans160.9123.5153.600000115.1
16A24.8Very low26.9Very low94 Ų94157.8 Ų157.878%0.77781%0.809SS**  trans62.9113.7158.200000117.8
17L23.3Very low26.8Very low153 Ų153159.7 Ų159.780%0.80181%0.812SS**  53.993.779.8-79.7165.5000112.7
18E24.6Very low26.9Very low185 Ų185158.7 Ų158.786%0.86481%0.812SS**  trans-146122.6150.7-117.4166.9-169.800108.2
19W21.9Very low27.1Very low235 Ų235160 Ų16089%0.8982%0.82SS**  trans-85.4124.1173.1-72.984.8000107.3
20N25.4Very low27.2Very low156 Ų156155.4 Ų155.483%0.83481%0.812SS**  trans-125.7128.1165.7-98.7-14.8000110.2
21E24.4Very low27.6Very low188 Ų188154 Ų15488%0.87981%0.812SS**  trans-68.6120.4171.2-61.4170.1148.500109.5
22T27.7Very low27.9Very low139 Ų139152.8 Ų152.885%0.85381%0.809SS**  trans-145.7118.6148.446.20000109.8
23L27.4Very low28.2Very low173 Ų173155.3 Ų155.391%0.90681%0.813SS**  trans-30122157.6-65.1146.3000113.1
24E27.5Very low28.8Very low187 Ų187155.9 Ų155.987%0.87482%0.817SS**  trans-164.7129144.6-108168.9-150.700109P26E24-P26 WeakPolarHBondContact O-CD 3.18Å
25T27Very low29.3Very low131 Ų131156.6 Ų156.680%0.80482%0.817SS**  trans-59.9123.2-177.447.70000112.8
26P31.5Very low30.1Very low115 Ų115157.4 Ų157.475%0.74781%0.809SS**  trans-10398.2162.526.7-10.3000109.1E24E24-P26 WeakPolarHBondContact O-CD 3.18Å
27T28.9Very low31Very low121 Ų121163.9 Ų163.974%0.74281%0.813SS**  trans-52.6140.5156.127.70000110.6
28L32.6Very low32Very low149 Ų149162.9 Ų162.978%0.7881%0.807SS**  trans73.266161.3-54.7167.8000116.8N30L28-N30 PolarHBondContact O-N 3.35Å; L28-N30 VanDerWaalsContact O-N 3.09Å
29M35.6Very low33Very low177 Ų177162 Ų16287%0.87281%0.805SS**  trans-70.298.3152.2-80.8-87.5-17900108.5F31M29-F31 PolarHBondContact O-N 3.37Å
30N29.8Very low34.1Very low122 Ų122155.7 Ų155.765%0.65279%0.792SS**  trans-51.3121.3171.4-75.8-50.6000110.3L28 Y32L28-N30 PolarHBondContact O-N 3.35Å; L28-N30 VanDerWaalsContact O-N 3.09Å; N30-Y32 WeakPolarHBondContact O-CD2 3.4Å; N30-Y32 PolarHBondContact O-N 2.71Å
31F37.3Very low35.1Very low190 Ų190156.4 Ų156.483%0.83380%0.796SS**  trans-60.697.7167.5-77.4-93.2000108.8M29 W33M29-F31 PolarHBondContact O-N 3.37Å; F31-W33 VanDerWaalsContact C-N 3.34Å; F31-W33 PolarHBondContact O-N 3.45Å
32Y33.2Very low36.1Very low207 Ų207151.9 Ų151.981%0.81279%0.785SS**  trans-68.296.9165.6-72.6-83.5000108N30 T34N30-Y32 WeakPolarHBondContact O-CD2 3.4Å; N30-Y32 PolarHBondContact O-N 2.71Å; Y32-T34 PolarHBondContact O-N 2.68Å
33W33.4Very low36.9Very low232 Ų232154.1 Ų154.188%0.87979%0.785SS**  trans-59.6102.7163-66.588.8000107.8F31 V35F31-W33 VanDerWaalsContact C-N 3.34Å; F31-W33 PolarHBondContact O-N 3.45Å; W33-V35 PolarHBondContact O-N 2.86Å
34T39.2Very low37.9Very low129 Ų129155 Ų15579%0.79179%0.785SS**  trans-64.2110170.647.70000108.2Y32Y32-T34 PolarHBondContact O-N 2.68Å
35V34.6Very low38.9Very low131 Ų131151 Ų15179%0.79478%0.784SS**PPolyproline II helixtrans-57.8124.4171.6-166.40000107.9W33 R37W33-V35 PolarHBondContact O-N 2.86Å; V35-R37 PolarHBondContact O-N 3.13Å
36P42.5Very low40.2Very low92 Ų92152.5 Ų152.560%0.59778%0.782SS**PPolyproline II helixtrans-62128.7-176.320.7-29.5000110.7I38P36-I38 PolarHBondContact O-N 3.1Å
37R42.1Very low41.7Very low229 Ų229154.4 Ų154.486%0.86479%0.786SS**PPolyproline II helixtrans-64121.1169.3-79.7-172.6-177.4-151.31.4108.6V35 M39V35-R37 PolarHBondContact O-N 3.13Å; R37-M39 PolarHBondContact O-N 2.78Å; R37-M39 VanDerWaalsContact O-N 3.13Å
38I45Very low43.7Very low133 Ų133151.6 Ų151.668%0.68277%0.768SS**  trans-67.5106171-60.3166.3000107.2P36 V40P36-I38 PolarHBondContact O-N 3.1Å; I38-V40 HydrophobicContact CG2-CG2 3.69Å
39M46.4Very low46Very low166 Ų166149.9 Ų149.982%0.81876%0.759SS**  trans-91.4103169.9-66.3-91.7-156.300107.1R37R37-M39 PolarHBondContact O-N 2.78Å; R37-M39 VanDerWaalsContact O-N 3.13Å
40V43.6Very low48.4Very low102 Ų102146.8 Ų146.862%0.61874%0.743SS**  trans-90.6109.1172.3-164.30000107.2I38 S42I38-V40 HydrophobicContact CG2-CG2 3.69Å; V40-S42 PolarHBondContact O-N 2.88Å
41N47.5Very low51.2Low171 Ų171145 Ų14591%0.91473%0.732SS**  trans-8399.3165.8-99.7-1.7000107.6
42S45.1Very low53.7Low94 Ų94139.6 Ų139.666%0.65771%0.706SS**  trans-102.680.8174.162.30000110V40V40-S42 PolarHBondContact O-N 2.88Å
43H44.8Very low56.4Low185 Ų185132.5 Ų132.586%0.85668%0.684SS**  trans-141.2120.5157.7-87-77.7000108.6
44E48.1Very low59.2Low192 Ų192123.8 Ų123.890%0.89767%0.667SS**SBendtrans93.7130.3175.5-62179.6156.100117.6Q46E44-Q46 PolarHBondContact O-N 3.3Å
45A49.2Very low61.7Low104 Ų104121.4 Ų121.486%0.8664%0.644SS**SBendtrans-78.596.5-162.400000111.6
46Q54.8Low64.5Low162 Ų162116.3 Ų116.376%0.75761%0.614SS**  trans-157.7127.1154.2-99.3157.117.500104.3E44 T48E44-Q46 PolarHBondContact O-N 3.3Å; Q46-T48 PolarHBondContact O-N 2.97Å
47D62.8Low66.8Low155 Ų155117.4 Ų117.483%0.82962%0.621SS**  trans-67.136.2-173-82.8-29.1000114
48T69.4Low69.1Low61 Ų61109 Ų10937%0.37460%0.597SS.*  trans-95.596.4178.358.80000109.2Q46 Q50 N75Q46-T48 PolarHBondContact O-N 2.97Å; T48-Q50 PolarHBondContact O-N 3.21Å; T48-N75 WeakPolarHBondContact CG2-OD1 3.45Å
49I82.1Confident71.3Confident113 Ų113106 Ų10658%0.57959%0.588SS**EExtended strand (participates in β ladder)trans-78.3120.9172-60.9174.4000107.7V74I49-V74 PolarHBondContact N-O 3.03Å; I49-V74 PolarHBondContact O-N 2.97Å
50Q86.2Confident73.3Confident113 Ų113103.8 Ų103.853%0.52858%0.575SS.*EExtended strand (participates in β ladder)trans-101123.4174.5-68.8-171.6-16.900110.1T48 L71 F72T48-Q50 PolarHBondContact O-N 3.21Å; Q50-L71 HydrophobicContact CB-CD1 4.04Å; Q50-L71 HydrophobicContact CB-CD2 4.39Å; Q50-L71 HydrophobicContact CB-CG 4.36Å; Q50-F72 WeakPolarHBondContact CA-O 3.33Å
51I87.1Confident75.2Confident85 Ų85102.2 Ų102.244%0.43657%0.569SS.*EExtended strand (participates in β ladder)trans-129.2132.4179.1-166.2163.7000111.4L71 F72I51-L71 VanDerWaalsContact C-CD1 3.49Å; I51-L71 WeakPolarHBondContact O-CA 3.4Å; I51-F72 HydrophobicContact CG2-CB 4.4Å; I51-F72 PolarHBondContact N-O 3.17Å; I51-F72 PolarHBondContact O-N 3.27Å
52W89.6Confident77Confident76 Ų7695.1 Ų95.129%0.28853%0.532SS..EExtended strand (participates in β ladder)trans-81.4137.8170.1-75.6102000110.1R69 E70 L71 R84 E86W52-R69 HydrophobicContact CD2-CG 4.42Å; W52-R69 HydrophobicContact CE3-CB 4.14Å; W52-R69 HydrophobicContact CE3-CG 3.56Å; W52-R69 HydrophobicContact CZ3-CG 3.77Å; W52-E70 WeakPolarHBondContact CA-O 3.37Å; W52-L71 HydrophobicContact CB-CD1 4.48Å; W52-L71 HydrophobicContact CD2-CB 3.89Å; W52-L71 HydrophobicContact CD2-CD1 3.72Å; W52-L71 HydrophobicContact CD2-CG 4.39Å; W52-L71 HydrophobicContact CE3-CB 3.79Å; W52-L71 HydrophobicContact CE3-CD1 4.44Å; W52-L71 HydrophobicContact CG-CD1 3.71Å; W52-L71 HydrophobicContact CH2-CB 3.84Å; W52-L71 HydrophobicContact CZ2-CB 3.93Å; W52-L71 HydrophobicContact CZ2-CD1 4.31Å; W52-L71 HydrophobicContact CZ2-CD2 4.31Å; W52-L71 HydrophobicContact CZ2-CG 4.42Å; W52-L71 HydrophobicContact CZ3-CB 3.76Å; W52-R84 HydrophobicContact CH2-CB 4.36Å; W52-R84 HydrophobicContact CH2-CG 4.19Å; W52-E86 HydrophobicContact CH2-CB 3.93Å; W52-E86 HydrophobicContact CZ3-CB 4.05Å
53T91.2Very high79Confident57 Ų5791.4 Ų91.435%0.3551%0.508SS..PPolyproline II helixtrans-65.2162.3162.760.10000110.8E70 F72T53-E70 PolarHBondContact N-O 3.29Å; T53-E70 PolarHBondContact OG1-N 3.42Å; T53-E70 PolarHBondContact OG1-O 3.31Å; T53-F72 HydrophobicContact CG2-CD2 3.76Å; T53-F72 HydrophobicContact CG2-CE2 3.57Å
54G91.2Very high81.2Confident50 Ų5089 Ų8952%0.51550%0.502SS..PPolyproline II helixtrans-60.3155.3162.800000110.5S56G54-S56 PolarHBondContact O-N 2.95Å
55W92.8Very high83.3Confident79 Ų7980 Ų8030%0.29946%0.46SS..PPolyproline II helixtrans-61.3139.1171.7-71.9101.4000110.7R67 F68 R69 E86 A88W55-R67 HydrophobicContact CD2-CG 4.17Å; W55-R67 HydrophobicContact CE3-CB 4.13Å; W55-R67 HydrophobicContact CE3-CG 3.62Å; W55-R67 HydrophobicContact CZ3-CG 4.16Å; W55-R67 WeakPolarHBondContact CZ3-O 3.47Å; W55-F68 VanDerWaalsContact CE3-C 3.45Å; W55-R69 HydrophobicContact CD2-CB 4.15Å; W55-R69 HydrophobicContact CD2-CG 4.07Å; W55-R69 HydrophobicContact CE3-CB 3.98Å; W55-R69 HydrophobicContact CE3-CG 3.9Å; W55-R69 HydrophobicContact CH2-CG 3.79Å; W55-R69 HydrophobicContact CZ2-CG 3.96Å; W55-R69 HydrophobicContact CZ3-CB 4.29Å; W55-R69 HydrophobicContact CZ3-CG 3.76Å; W55-E86 HydrophobicContact CH2-CB 4.47Å; W55-E86 HydrophobicContact CH2-CG 4.09Å; W55-A88 HydrophobicContact CH2-CB 3.43Å; W55-A88 VanDerWaalsContact CH2-CB 3.43Å; W55-A88 HydrophobicContact CZ2-CB 4.13Å; W55-A88 HydrophobicContact CZ3-CB 3.7Å
56S93.4Very high85.4Confident24 Ų2478.1 Ų78.117%0.16844%0.438CS..PPolyproline II helixtrans-57.216016975.60000111.1G54 R67 F68G54-S56 PolarHBondContact O-N 2.95Å; S56-R67 WeakPolarHBondContact OG-CA 3.37Å; S56-F68 WeakPolarHBondContact CB-O 3.43Å; S56-F68 PolarHBondContact N-O 2.86Å; S56-F68 WeakPolarHBondContact OG-CD1 2.99Å; S56-F68 PolarHBondContact OG-N 2.86Å
57P90.8Very high87.3Confident115 Ų11574.3 Ų74.375%0.74742%0.417SS*.PPolyproline II helixtrans-55.1155.6159.826.8-34.5000110
58C90.4Very high88.9Confident53 Ų5372 Ų7236%0.35840%0.4SS..PPolyproline II helixtrans-62.1140.9173.6-68.20000110.1E60 C90C58-E60 WeakPolarHBondContact CB-O 3.45Å; C58-E60 PolarHBondContact O-N 2.94Å; C58-C90 VanDerWaalsContact CA-SG 3.54Å; C58-C90 HydrophobicContact CB-CB 4.04Å; C58-C90 WeakPolarHBondContact CB-SG 3.06Å; C58-C90 WeakPolarHBondContact SG-CB 3.33Å; C58-C90 CovalentContact SG-SG 2.03Å; C58-C90 PolarHBondContact SG-SG 3.28Å
59S91.6Very high90.1Very high70 Ų7072.1 Ų72.149%0.4939%0.393SS..SBendtrans-59.7-31.1178.163.30000112.7T66S59-T66 WeakPolarHBondContact CB-O 3.42Å; S59-T66 PolarHBondContact N-O 2.95Å; S59-T66 PolarHBondContact OG-N 2.86Å; S59-T66 PolarHBondContact OG-O 2.86Å
60E87.2Confident90.6Very high118 Ų11870 Ų7055%0.55138%0.381SS*.SBendtrans-125.6146.4-179.2-59.6-62.7158.500109.6C58 C62C58-E60 WeakPolarHBondContact CB-O 3.45Å; C58-E60 PolarHBondContact O-N 2.94Å; E60-C62 VanDerWaalsContact C-N 3.27Å; E60-C62 WeakPolarHBondContact CB-O 3.17Å
61S83.9Confident90.9Very high70 Ų7065.1 Ų65.149%0.4936%0.359SS..SBendtrans-76.9-16.5174.958.40000113
62C86.3Confident91Very high22 Ų2263.3 Ų63.315%0.14935%0.348CS..SBendtrans-148.8172175.972.80000111.6E60 I93 C95E60-C62 VanDerWaalsContact C-N 3.27Å; E60-C62 WeakPolarHBondContact CB-O 3.17Å; C62-I93 CarbonylContact C-O 3.33Å; C62-I93 HydrophobicContact CB-CG2 4.34Å; C62-C95 VanDerWaalsContact C-SG 3.55Å; C62-C95 HydrophobicContact CB-CB 3.89Å; C62-C95 WeakPolarHBondContact CB-SG 3.25Å; C62-C95 WeakPolarHBondContact SG-CA 3.44Å; C62-C95 WeakPolarHBondContact SG-CB 3.48Å; C62-C95 CovalentContact SG-SG 2.06Å; C62-C95 PolarHBondContact SG-SG 3.11Å
63G86.8Confident90.8Very high15 Ų1560.5 Ų60.516%0.15534%0.339CS..BIsolated β-bridgetrans75.8-145-178.200000112.8G65 I93 C95G63-G65 PolarHBondContact O-N 2.89Å; G63-I93 WeakPolarHBondContact CA-O 3.45Å; G63-I93 PolarHBondContact N-O 2.97Å; G63-C95 PolarHBondContact N-SG 2.81Å; G63-C95 VanDerWaalsContact N-SG 3.4Å
64N90.4Very high90.3Very high135 Ų13560.3 Ų60.372%0.72234%0.338SS*.SBendtrans-9672.4178.1-76.5-30.9000110.2F92N64-F92 WeakPolarHBondContact OD1-CD2 3.4Å
65G91.3Very high89.7Confident2 Ų261 Ų612%0.02133%0.33CS..  trans-70.5161.8171.500000112.3G63 C90G63-G65 PolarHBondContact O-N 2.89Å; G65-C90 WeakPolarHBondContact O-CB 3.47Å; G65-C90 PolarHBondContact O-N 3.33Å
66T94.6Very high88.4Confident65 Ų6560.7 Ų60.740%0.39935%0.352SS..EExtended strand (participates in β ladder)trans-121.9154.2172.259.60000110.4S59 T87 A88S59-T66 WeakPolarHBondContact CB-O 3.42Å; S59-T66 PolarHBondContact N-O 2.95Å; S59-T66 PolarHBondContact OG-N 2.86Å; S59-T66 PolarHBondContact OG-O 2.86Å; T66-T87 HydrophobicContact CG2-CG2 4.45Å; T66-A88 WeakPolarHBondContact CA-O 3.43Å
67R94.9Very high87.2Confident83 Ų8366.3 Ų66.331%0.31339%0.385SS..EExtended strand (participates in β ladder)trans-130.6150.5173.156.6-179.5-174.6-179.3-1108.7W55 S56 T87 A88W55-R67 HydrophobicContact CD2-CG 4.17Å; W55-R67 HydrophobicContact CE3-CB 4.13Å; W55-R67 HydrophobicContact CE3-CG 3.62Å; W55-R67 HydrophobicContact CZ3-CG 4.16Å; W55-R67 WeakPolarHBondContact CZ3-O 3.47Å; S56-R67 WeakPolarHBondContact OG-CA 3.37Å; R67-T87 WeakPolarHBondContact O-CA 3.02Å; R67-A88 PolarHBondContact N-O 3.05Å; R67-A88 PolarHBondContact O-N 3.34Å
68F95Very high86.2Confident105 Ų10566.3 Ų66.346%0.46138%0.375SS..EExtended strand (participates in β ladder)trans-127.2157.8178.570.9-84.9000111.5W55 S56 E70 E86W55-F68 VanDerWaalsContact CE3-C 3.45Å; S56-F68 WeakPolarHBondContact CB-O 3.43Å; S56-F68 PolarHBondContact N-O 2.86Å; S56-F68 WeakPolarHBondContact OG-CD1 2.99Å; S56-F68 PolarHBondContact OG-N 2.86Å; F68-E70 HydrophobicContact CD2-CG 4.2Å; F68-E70 HydrophobicContact CE2-CG 4.34Å; F68-E86 CarbonylContact C-O 3.54Å; F68-E86 WeakPolarHBondContact CA-O 3.09Å; F68-E86 WeakPolarHBondContact CB-O 3.49Å
69R94.7Very high85.6Confident64 Ų6469.3 Ų69.324%0.24239%0.392CS..EExtended strand (participates in β ladder)trans-137.9155.5168.461.3173.4-179-173.3-1.7109W52 W55 E86W52-R69 HydrophobicContact CD2-CG 4.42Å; W52-R69 HydrophobicContact CE3-CB 4.14Å; W52-R69 HydrophobicContact CE3-CG 3.56Å; W52-R69 HydrophobicContact CZ3-CG 3.77Å; W55-R69 HydrophobicContact CD2-CB 4.15Å; W55-R69 HydrophobicContact CD2-CG 4.07Å; W55-R69 HydrophobicContact CE3-CB 3.98Å; W55-R69 HydrophobicContact CE3-CG 3.9Å; W55-R69 HydrophobicContact CH2-CG 3.79Å; W55-R69 HydrophobicContact CZ2-CG 3.96Å; W55-R69 HydrophobicContact CZ3-CB 4.29Å; W55-R69 HydrophobicContact CZ3-CG 3.76Å; R69-E86 HydrophobicContact CG-CB 4.18Å; R69-E86 IonicContact CZ-OE2 3.17Å; R69-E86 PolarHBondContact N-O 2.68Å; R69-E86 IonicContact NE-OE2 3.26Å; R69-E86 PolarHBondContact NE-OE2 3.39Å; R69-E86 IonicContact NH2-OE1 2.67Å; R69-E86 IonicContact NH2-OE2 2.81Å; R69-E86 PolarHBondContact NH2-OE2 2.03Å; R69-E86 PolarHBondContact O-N 2.06Å
70E92.9Very high85Confident68 Ų6869.7 Ų69.732%0.31839%0.393SS..EExtended strand (participates in β ladder)trans-123.8139.9-176-66.2-179146.100109.5W52 T53 F68 F72 R84 N85W52-E70 WeakPolarHBondContact CA-O 3.37Å; T53-E70 PolarHBondContact N-O 3.29Å; T53-E70 PolarHBondContact OG1-N 3.42Å; T53-E70 PolarHBondContact OG1-O 3.31Å; F68-E70 HydrophobicContact CD2-CG 4.2Å; F68-E70 HydrophobicContact CE2-CG 4.34Å; E70-F72 HydrophobicContact CB-CD2 4.28Å; E70-F72 HydrophobicContact CB-CE2 3.65Å; E70-F72 HydrophobicContact CB-CZ 4.36Å; E70-R84 CarbonylContact C-O 3.59Å; E70-R84 WeakPolarHBondContact CA-O 3.47Å; E70-N85 HydrophobicContact CG-CB 4.42Å
71L92.4Very high84.9Confident12 Ų1267.8 Ų67.86%0.06339%0.389CS..EExtended strand (participates in β ladder)trans-97.3120.5174.7-173.371.5000108.3Q50 I51 W52 V83 R84Q50-L71 HydrophobicContact CB-CD1 4.04Å; Q50-L71 HydrophobicContact CB-CD2 4.39Å; Q50-L71 HydrophobicContact CB-CG 4.36Å; I51-L71 VanDerWaalsContact C-CD1 3.49Å; I51-L71 WeakPolarHBondContact O-CA 3.4Å; W52-L71 HydrophobicContact CB-CD1 4.48Å; W52-L71 HydrophobicContact CD2-CB 3.89Å; W52-L71 HydrophobicContact CD2-CD1 3.72Å; W52-L71 HydrophobicContact CD2-CG 4.39Å; W52-L71 HydrophobicContact CE3-CB 3.79Å; W52-L71 HydrophobicContact CE3-CD1 4.44Å; W52-L71 HydrophobicContact CG-CD1 3.71Å; W52-L71 HydrophobicContact CH2-CB 3.84Å; W52-L71 HydrophobicContact CZ2-CB 3.93Å; W52-L71 HydrophobicContact CZ2-CD1 4.31Å; W52-L71 HydrophobicContact CZ2-CD2 4.31Å; W52-L71 HydrophobicContact CZ2-CG 4.42Å; W52-L71 HydrophobicContact CZ3-CB 3.76Å; L71-V83 HydrophobicContact CB-CG2 4.27Å; L71-V83 HydrophobicContact CD2-CG2 3.95Å; L71-V83 HydrophobicContact CG-CG2 4.04Å; L71-V83 WeakPolarHBondContact O-CG2 3.41Å; L71-V83 PolarHBondContact O-N 2.83Å; L71-R84 HydrophobicContact CB-CB 3.94Å; L71-R84 HydrophobicContact CD2-CB 4.25Å; L71-R84 PolarHBondContact N-O 3.4Å
72F88.7Confident85Confident46 Ų4667 Ų6720%0.20239%0.387CS..EExtended strand (participates in β ladder)trans-102.6136.4174.5-72.7-93.8000109.9Q50 I51 T53 E70 P80 V81 A82Q50-F72 WeakPolarHBondContact CA-O 3.33Å; I51-F72 HydrophobicContact CG2-CB 4.4Å; I51-F72 PolarHBondContact N-O 3.17Å; I51-F72 PolarHBondContact O-N 3.27Å; T53-F72 HydrophobicContact CG2-CD2 3.76Å; T53-F72 HydrophobicContact CG2-CE2 3.57Å; E70-F72 HydrophobicContact CB-CD2 4.28Å; E70-F72 HydrophobicContact CB-CE2 3.65Å; E70-F72 HydrophobicContact CB-CZ 4.36Å; F72-P80 HydrophobicContact CB-CB 4.33Å; F72-P80 HydrophobicContact CD1-CB 3.87Å; F72-P80 HydrophobicContact CG-CB 4.46Å; F72-V81 WeakPolarHBondContact CA-O 3.21Å; F72-A82 HydrophobicContact CD1-CB 4.21Å; F72-A82 HydrophobicContact CE1-CB 3.78Å; F72-A82 HydrophobicContact CZ-CB 4.03Å
73S86Confident85.2Confident17 Ų1769.7 Ų69.712%0.11940%0.403CS..EExtended strand (participates in β ladder)trans-103.6128.2169.6-166.90000108.9V81S73-V81 PolarHBondContact N-O 2.97Å; S73-V81 PolarHBondContact O-N 3.15Å
74V80.6Confident85.4Confident54 Ų5476.6 Ų76.633%0.32742%0.424SS..EExtended strand (participates in β ladder)trans-108.9110.9174.4-173.80000107.9I49 P80I49-V74 PolarHBondContact N-O 3.03Å; I49-V74 PolarHBondContact O-N 2.97Å; V74-P80 HydrophobicContact CG2-CB 4.23Å; V74-P80 HydrophobicContact CG2-CG 4.27Å
75N78.4Confident85.5Confident63 Ų6375.6 Ų75.634%0.33742%0.419SS..  trans-87.8133.9165-57.5-18000106T48 T77 E78T48-N75 WeakPolarHBondContact CG2-OD1 3.45Å; N75-T77 PolarHBondContact O-N 2.64Å; N75-E78 HydrophobicContact CB-CB 4.5Å; N75-E78 PolarHBondContact ND2-OE2 2.83Å; N75-E78 VanDerWaalsContact ND2-OE2 3.1Å; N75-E78 PolarHBondContact O-N 3.43Å
76G66.6Low85.7Confident74 Ų7478.7 Ų78.776%0.76343%0.433SS*.THydrogen-bonded Turntrans-500.5-166.800000119.9
77T67.1Low85.8Confident142 Ų14280 Ų8087%0.87144%0.441SS*.THydrogen-bonded Turntrans-138.8-0.417754.20000115.4N75N75-T77 PolarHBondContact O-N 2.64Å
78E69.9Low85.7Confident114 Ų11477.4 Ų77.453%0.53344%0.437SS..SBendtrans-112.9154.6-173.5-68.5179.2156.700112.7N75N75-E78 HydrophobicContact CB-CB 4.5Å; N75-E78 PolarHBondContact ND2-OE2 2.83Å; N75-E78 VanDerWaalsContact ND2-OE2 3.1Å; N75-E78 PolarHBondContact O-N 3.43Å
79T77.6Confident85.7Confident116 Ų11677 Ų7771%0.71245%0.447SS*.PPolyproline II helixtrans-57.2137.1171.649.10000109.7V81T79-V81 WeakPolarHBondContact O-CG2 3.46Å; T79-V81 PolarHBondContact O-N 2.95Å; T79-V81 VanDerWaalsContact O-N 3.15Å
80P80.7Confident85.5Confident79 Ų7974.5 Ų74.551%0.51344%0.439SS..PPolyproline II helixtrans-51.6122.7178.4-23.330.9000111F72 V74F72-P80 HydrophobicContact CB-CB 4.33Å; F72-P80 HydrophobicContact CD1-CB 3.87Å; F72-P80 HydrophobicContact CG-CB 4.46Å; V74-P80 HydrophobicContact CG2-CB 4.23Å; V74-P80 HydrophobicContact CG2-CG 4.27Å
81V84Confident85.3Confident77 Ų7775.8 Ų75.847%0.46745%0.454SS..EExtended strand (participates in β ladder)trans-102.9128.9178.2-175.70000108.9F72 S73 T79 V83F72-V81 WeakPolarHBondContact CA-O 3.21Å; S73-V81 PolarHBondContact N-O 2.97Å; S73-V81 PolarHBondContact O-N 3.15Å; T79-V81 WeakPolarHBondContact O-CG2 3.46Å; T79-V81 PolarHBondContact O-N 2.95Å; T79-V81 VanDerWaalsContact O-N 3.15Å; V81-V83 PolarHBondContact O-N 3.5Å
82A85.9Confident85Confident54 Ų5481.4 Ų81.445%0.44648%0.478SS..EExtended strand (participates in β ladder)trans-68.6117.5171.300000109F72F72-A82 HydrophobicContact CD1-CB 4.21Å; F72-A82 HydrophobicContact CE1-CB 3.78Å; F72-A82 HydrophobicContact CZ-CB 4.03Å
83V89.8Confident84.7Confident79 Ų7982.4 Ų82.448%0.47949%0.485SS..EExtended strand (participates in β ladder)trans-106.8-22-176.9-69.10000112.8L71 V81L71-V83 HydrophobicContact CB-CG2 4.27Å; L71-V83 HydrophobicContact CD2-CG2 3.95Å; L71-V83 HydrophobicContact CG-CG2 4.04Å; L71-V83 WeakPolarHBondContact O-CG2 3.41Å; L71-V83 PolarHBondContact O-N 2.83Å; V81-V83 PolarHBondContact O-N 3.5Å
84R92.1Very high84.6Confident160 Ų16083.7 Ų83.760%0.60449%0.493SS*.EExtended strand (participates in β ladder)trans-152.2146.4-179.7-165.6178.4179.5-168.9-0.3111.1W52 E70 L71W52-R84 HydrophobicContact CH2-CB 4.36Å; W52-R84 HydrophobicContact CH2-CG 4.19Å; E70-R84 CarbonylContact C-O 3.59Å; E70-R84 WeakPolarHBondContact CA-O 3.47Å; L71-R84 HydrophobicContact CB-CB 3.94Å; L71-R84 HydrophobicContact CD2-CB 4.25Å; L71-R84 PolarHBondContact N-O 3.4Å
85N93.3Very high84.8Confident113 Ų11383.8 Ų83.860%0.60450%0.495SS*.EExtended strand (participates in β ladder)trans-119.7152.6167.759.44.2000110.5E70E70-N85 HydrophobicContact CG-CB 4.42Å
86E95.6Very high85.2Confident68 Ų6882.4 Ų82.432%0.31849%0.489SS..EExtended strand (participates in β ladder)trans-135.8134.7173.6-172.2-178.1179.400108.8W52 W55 F68 R69W52-E86 HydrophobicContact CH2-CB 3.93Å; W52-E86 HydrophobicContact CZ3-CB 4.05Å; W55-E86 HydrophobicContact CH2-CB 4.47Å; W55-E86 HydrophobicContact CH2-CG 4.09Å; F68-E86 CarbonylContact C-O 3.54Å; F68-E86 WeakPolarHBondContact CA-O 3.09Å; F68-E86 WeakPolarHBondContact CB-O 3.49Å; R69-E86 HydrophobicContact CG-CB 4.18Å; R69-E86 IonicContact CZ-OE2 3.17Å; R69-E86 PolarHBondContact N-O 2.68Å; R69-E86 IonicContact NE-OE2 3.26Å; R69-E86 PolarHBondContact NE-OE2 3.39Å; R69-E86 IonicContact NH2-OE1 2.67Å; R69-E86 IonicContact NH2-OE2 2.81Å; R69-E86 PolarHBondContact NH2-OE2 2.03Å; R69-E86 PolarHBondContact O-N 2.06Å
87T95.1Very high86.2Confident92 Ų9281.9 Ų81.956%0.56447%0.468SS*.EExtended strand (participates in β ladder)trans-115.9132.5175.7-50.60000108.6T66 R67T66-T87 HydrophobicContact CG2-CG2 4.45Å; R67-T87 WeakPolarHBondContact O-CA 3.02Å
88A94.1Very high87.2Confident28 Ų2879 Ų7923%0.23145%0.448CS..EExtended strand (participates in β ladder)trans-129.9150.817600000110.4W55 T66 R67W55-A88 HydrophobicContact CH2-CB 3.43Å; W55-A88 VanDerWaalsContact CH2-CB 3.43Å; W55-A88 HydrophobicContact CZ2-CB 4.13Å; W55-A88 HydrophobicContact CZ3-CB 3.7Å; T66-A88 WeakPolarHBondContact CA-O 3.43Å; R67-A88 PolarHBondContact N-O 3.05Å; R67-A88 PolarHBondContact O-N 3.34Å
89S94.3Very high88.3Confident96 Ų9674.3 Ų74.367%0.67143%0.427SS*.EExtended strand (participates in β ladder)trans-68.3141.9172.6-53.60000110.8
90C90.6Very high88.8Confident13 Ų1372.1 Ų72.19%0.08841%0.411CS..PPolyproline II helixtrans-74.5158.2168-72.90000111C58 G65 F92C58-C90 VanDerWaalsContact CA-SG 3.54Å; C58-C90 HydrophobicContact CB-CB 4.04Å; C58-C90 WeakPolarHBondContact CB-SG 3.06Å; C58-C90 WeakPolarHBondContact SG-CB 3.33Å; C58-C90 CovalentContact SG-SG 2.03Å; C58-C90 PolarHBondContact SG-SG 3.28Å; G65-C90 WeakPolarHBondContact O-CB 3.47Å; G65-C90 PolarHBondContact O-N 3.33Å; C90-F92 PolarHBondContact O-N 2.99Å
91P87.9Confident89.3Confident95 Ų9571.7 Ų71.762%0.61740%0.402SS*.PPolyproline II helixtrans-54.6135.6165.8-21.433.1000109.9I93P91-I93 PolarHBondContact O-N 3.11Å
92F86Confident89.5Confident130 Ų13069.6 Ų69.657%0.5739%0.389SS*.PPolyproline II helixtrans-63.3123.4178.5177-101.9000110.3N64 C90 P94N64-F92 WeakPolarHBondContact OD1-CD2 3.4Å; C90-F92 PolarHBondContact O-N 2.99Å; F92-P94 HydrophobicContact CD1-CG 4.37Å; F92-P94 HydrophobicContact CE1-CB 4.12Å; F92-P94 HydrophobicContact CE1-CG 3.84Å; F92-P94 HydrophobicContact CZ-CB 4.45Å
93I83.4Confident89.6Confident67 Ų6773.2 Ų73.234%0.34440%0.401SS..BIsolated β-bridgetrans-114.3117.6172.4-62.7171.7000106.5C62 G63 P91 C95C62-I93 CarbonylContact C-O 3.33Å; C62-I93 HydrophobicContact CB-CG2 4.34Å; G63-I93 WeakPolarHBondContact CA-O 3.45Å; G63-I93 PolarHBondContact N-O 2.97Å; P91-I93 PolarHBondContact O-N 3.11Å; I93-C95 PolarHBondContact O-N 3.48Å
94P83.2Confident89.5Confident44 Ų4473.1 Ų73.129%0.28640%0.397SS..PPolyproline II helixtrans-60.3134.1179.7-14.824.7000111F92 W132F92-P94 HydrophobicContact CD1-CG 4.37Å; F92-P94 HydrophobicContact CE1-CB 4.12Å; F92-P94 HydrophobicContact CE1-CG 3.84Å; F92-P94 HydrophobicContact CZ-CB 4.45Å; P94-W132 HydrophobicContact CB-CG 4.28Å; P94-W132 HydrophobicContact CG-CD2 4.29Å; P94-W132 HydrophobicContact CG-CG 4.13Å
95C85.5Confident89.3Confident56 Ų5670.8 Ų70.838%0.37839%0.392SS..PPolyproline II helixtrans-66.9149.5177.8-750000112.1C62 G63 I93 I97C62-C95 VanDerWaalsContact C-SG 3.55Å; C62-C95 HydrophobicContact CB-CB 3.89Å; C62-C95 WeakPolarHBondContact CB-SG 3.25Å; C62-C95 WeakPolarHBondContact SG-CA 3.44Å; C62-C95 WeakPolarHBondContact SG-CB 3.48Å; C62-C95 CovalentContact SG-SG 2.06Å; C62-C95 PolarHBondContact SG-SG 3.11Å; G63-C95 PolarHBondContact N-SG 2.81Å; G63-C95 VanDerWaalsContact N-SG 3.4Å; I93-C95 PolarHBondContact O-N 3.48Å; C95-I97 PolarHBondContact O-N 2.96Å
96P87.3Confident89.1Confident33 Ų3370.7 Ų70.721%0.21440%0.397CS..PPolyproline II helixtrans-60137.6173.626.7-34.3000109.7I130 V136 V138P96-I130 VanDerWaalsContact CA-O 3.25Å; P96-I130 WeakPolarHBondContact CA-O 3.31Å; P96-V136 HydrophobicContact CG-CB 3.96Å; P96-V136 HydrophobicContact CG-CG1 3.92Å; P96-V136 HydrophobicContact CG-CG2 4.48Å; P96-V138 HydrophobicContact CB-CG1 3.47Å; P96-V138 VanDerWaalsContact CB-CG1 3.47Å
97I87.1Confident88.8Confident64 Ų6474.7 Ų74.733%0.32841%0.41SS..BIsolated β-bridgetrans-122.2128.5179.3-58.8177.6000107.8C95 R127 A129 I130C95-I97 PolarHBondContact O-N 2.96Å; I97-R127 VanDerWaalsContact CG2-CZ 3.43Å; I97-R127 VanDerWaalsContact CG2-NE 3.32Å; I97-A129 WeakPolarHBondContact O-CA 3.41Å; I97-I130 PolarHBondContact N-O 3.27Å; I97-I130 VanDerWaalsContact N-O 3.11Å; I97-I130 PolarHBondContact O-N 2.9Å
98D88.9Confident88.5Confident81 Ų8172.3 Ų72.343%0.43340%0.398SS..  trans-68.3147.8174.2-70.3-34.7000111.6V139D98-V139 HydrophobicContact CB-CB 4.26Å; D98-V139 PolarHBondContact OD1-N 3.06Å
99C91.5Very high88.4Confident16 Ų1677.3 Ų77.311%0.10843%0.425CS..  trans-62.3140.2170.6-178.10000110.7R127 A129 V139 C141C99-R127 VanDerWaalsContact CA-O 3.31Å; C99-R127 WeakPolarHBondContact CA-O 3.44Å; C99-R127 PolarHBondContact SG-O 2.83Å; C99-A129 HydrophobicContact CB-CB 4.08Å; C99-V139 VanDerWaalsContact CB-O 3.23Å; C99-V139 WeakPolarHBondContact CB-O 3.33Å; C99-V139 PolarHBondContact N-O 3.48Å; C99-V139 VanDerWaalsContact N-O 3.16Å; C99-C141 HydrophobicContact CB-CB 4.01Å; C99-C141 WeakPolarHBondContact CB-SG 3.07Å; C99-C141 WeakPolarHBondContact SG-CB 3.36Å; C99-C141 CovalentContact SG-SG 2.01Å; C99-C141 PolarHBondContact SG-SG 3.12Å
100I88.9Confident88.3Confident70 Ų7074.2 Ų74.236%0.35940%0.403SS..EExtended strand (participates in β ladder)trans-117.1129.9170.4-59.6-175.9000108.2I126 R127I100-I126 HydrophobicContact CB-CB 4.39Å; I100-I126 HydrophobicContact CG2-CB 4.12Å; I100-I126 HydrophobicContact CG2-CD1 4.05Å; I100-I126 HydrophobicContact CG2-CG1 4.48Å; I100-I126 PolarHBondContact O-N 3.01Å; I100-R127 HydrophobicContact CB-CB 4.41Å; I100-R127 VanDerWaalsContact CD1-CZ 3.48Å; I100-R127 PolarHBondContact N-O 3.36Å; I100-R127 PolarHBondContact O-N 3.39Å; I100-R127 VanDerWaalsContact O-N 3.11Å
101E90.4Very high88.3Confident69 Ų6978.6 Ų78.632%0.32243%0.426SS..EExtended strand (participates in β ladder)trans-124.7160.7177.757.2-171.7-169.700111.5R123 Q124 C141E101-R123 IonicContact OE1-CZ 3.65Å; E101-R123 VanDerWaalsContact OE1-CZ 3.3Å; E101-R123 IonicContact OE1-NH1 3.08Å; E101-R123 PolarHBondContact OE1-NH1 2.91Å; E101-R123 IonicContact OE1-NH2 3.04Å; E101-R123 WeakPolarHBondContact OE2-CD 3.47Å; E101-R123 IonicContact OE2-CZ 2.68Å; E101-R123 IonicContact OE2-NE 3.72Å; E101-R123 PolarHBondContact OE2-NE 2.86Å; E101-R123 VanDerWaalsContact OE2-NE 3.16Å; E101-R123 IonicContact OE2-NH1 3.77Å; E101-R123 PolarHBondContact OE2-NH1 2.95Å; E101-R123 VanDerWaalsContact OE2-NH1 3.1Å; E101-R123 IonicContact OE2-NH2 2.86Å; E101-R123 PolarHBondContact OE2-NH2 2.82Å; E101-Q124 CarbonylContact C-O 3.25Å; E101-Q124 VanDerWaalsContact CA-O 3.25Å; E101-Q124 WeakPolarHBondContact CA-O 3.38Å; E101-C141 PolarHBondContact OE2-SG 2.82Å; E101-C141 VanDerWaalsContact OE2-SG 3.37Å
102T88.2Confident88.4Confident33 Ų3375.8 Ų75.820%0.20241%0.409CS..PPolyproline II helixtrans-78168172.166.90000111.4R123 Q124 I126T102-R123 WeakPolarHBondContact OG1-CA 3.49Å; T102-Q124 HydrophobicContact CG2-CB 4.02Å; T102-Q124 PolarHBondContact N-O 2.99Å; T102-Q124 PolarHBondContact OG1-N 2.83Å; T102-I126 HydrophobicContact CG2-CD1 3.89Å; T102-I126 HydrophobicContact CG2-CG1 3.84Å
103D89.6Confident88.4Confident131 Ų13173 Ų7370%0.70140%0.403SS*.PPolyproline II helixtrans-58.7162.2161.3-64.2-41.7000111.4F105D103-F105 HydrophobicContact CB-CZ 4.2Å; D103-F105 WeakPolarHBondContact O-CD2 3.42Å; D103-F105 WeakPolarHBondContact O-CE2 3.35Å
104L87.5Confident88.7Confident76 Ų7670.1 Ų70.140%0.39839%0.389SS..PPolyproline II helixtrans-80.2128.8175.4-75.8165.7000110.6L121 R123 V146L104-L121 HydrophobicContact CB-CB 4.15Å; L104-L121 HydrophobicContact CB-CD1 4.05Å; L104-L121 HydrophobicContact CD1-CD1 4.25Å; L104-L121 HydrophobicContact CD2-CB 3.92Å; L104-L121 HydrophobicContact CG-CB 4.5Å; L104-R123 HydrophobicContact CD2-CB 3.92Å; L104-R123 HydrophobicContact CD2-CG 3.99Å; L104-V146 HydrophobicContact CD1-CG2 4.48Å; L104-V146 HydrophobicContact CD2-CB 4.15Å; L104-V146 HydrophobicContact CD2-CG2 3.75Å
105F86.5Confident88.7Confident111 Ų11170.6 Ų70.649%0.48740%0.402SS..EExtended strand (participates in β ladder)trans-116.3151.4177.2-56.2-78000111.4D103 Y107 L121 I122D103-F105 HydrophobicContact CB-CZ 4.2Å; D103-F105 WeakPolarHBondContact O-CD2 3.42Å; D103-F105 WeakPolarHBondContact O-CE2 3.35Å; F105-Y107 PolarHBondContact O-N 3.26Å; F105-L121 CarbonylContact O-C 3.55Å; F105-L121 VanDerWaalsContact O-CA 3.22Å; F105-L121 WeakPolarHBondContact O-CA 3.48Å; F105-I122 PolarHBondContact N-O 2.01Å; F105-I122 PolarHBondContact O-N 3.37Å
106P88.9Confident88.9Confident111 Ų11169.5 Ų69.572%0.72140%0.401SS*.EExtended strand (participates in β ladder)trans-57124.7172.9-2333.8000111.4
107Y89.1Confident89.1Confident152 Ų15268.4 Ų68.460%0.59640%0.395SS*.  trans-108.1-39.3177.2-178.9-110.1000112.1F105 S120 I122F105-Y107 PolarHBondContact O-N 3.26Å; Y107-S120 WeakPolarHBondContact CA-O 3.34Å; Y107-S120 VanDerWaalsContact CB-O 3.29Å; Y107-S120 WeakPolarHBondContact CB-O 3.39Å; Y107-S120 PolarHBondContact N-O 3.44Å; Y107-I122 HydrophobicContact CD2-CB 4.05Å; Y107-I122 HydrophobicContact CD2-CD1 3.98Å; Y107-I122 HydrophobicContact CD2-CG2 3.85Å; Y107-I122 HydrophobicContact CE2-CD1 4.1Å; Y107-I122 HydrophobicContact CG-CB 4.07Å; Y107-I122 HydrophobicContact CG-CG2 4.17Å
108S89.7Confident89.4Confident43 Ų4368.4 Ų68.430%0.30140%0.398SS..SBendtrans-127.3153.717882.90000112S119 S120S108-S119 PolarHBondContact O-OG 2.92Å; S108-S120 PolarHBondContact N-O 3.05Å; S108-S120 VanDerWaalsContact N-O 3.11Å; S108-S120 PolarHBondContact OG-N 3.09Å
109V91.3Very high89.6Confident132 Ų13265.2 Ų65.280%0.838%0.382SS*.  trans-67.4160.6161.4-63.30000110.1
110C91.9Very high89.7Confident32 Ų3265.5 Ų65.522%0.21638%0.384CS..  trans-65134.7172.5-164.50000109.9S112 C150 N151C110-S112 VanDerWaalsContact C-N 3.31Å; C110-S112 PolarHBondContact O-N 2.87Å; C110-S112 PolarHBondContact SG-O 3.16Å; C110-C150 VanDerWaalsContact CA-SG 3.53Å; C110-C150 HydrophobicContact CB-CB 3.84Å; C110-C150 WeakPolarHBondContact CB-SG 3.39Å; C110-C150 WeakPolarHBondContact SG-CB 3.4Å; C110-C150 CovalentContact SG-SG 2.02Å; C110-C150 PolarHBondContact SG-SG 3.41Å; C110-N151 WeakPolarHBondContact CB-ND2 3.28Å; C110-N151 PolarHBondContact SG-ND2 3.13Å
111N91.9Very high89.8Confident104 Ų10463.8 Ų63.856%0.55638%0.375SS*.SBendtrans-72.9-20.7179.864-0.5000114.3G117 T118N111-G117 WeakPolarHBondContact OD1-CA 3.5Å; N111-T118 PolarHBondContact N-O 3.1Å; N111-T118 VanDerWaalsContact N-O 3.16Å; N111-T118 PolarHBondContact ND2-OG1 3.21Å; N111-T118 PolarHBondContact OD1-N 3.34Å; N111-T118 PolarHBondContact OD1-O 2.93Å
112S89.1Confident89.9Confident37 Ų3762.7 Ų62.726%0.25937%0.372SS..  trans-123.7136.5179.8-61.50000110.1C110 C114 G116 N151C110-S112 VanDerWaalsContact C-N 3.31Å; C110-S112 PolarHBondContact O-N 2.87Å; C110-S112 PolarHBondContact SG-O 3.16Å; S112-C114 VanDerWaalsContact C-N 3.33Å; S112-G116 WeakPolarHBondContact CB-O 3.21Å; S112-G116 PolarHBondContact OG-O 2.6Å; S112-N151 WeakPolarHBondContact O-CB 3.44Å; S112-N151 PolarHBondContact O-ND2 3.28Å
113P87.3Confident89.9Confident70 Ų7063.5 Ų63.546%0.45537%0.371SS..SBendtrans-73.5-24.1178.428.8-33.6000113.4N151 Q191P113-N151 WeakPolarHBondContact O-CB 3.48Å; P113-N151 PolarHBondContact O-ND2 2.66Å; P113-Q191 WeakPolarHBondContact CB-O 2.97Å; P113-Q191 HydrophobicContact CG-CB 3.99Å; P113-Q191 VanDerWaalsContact CG-O 3.31Å; P113-Q191 WeakPolarHBondContact CG-O 3.25Å
114C88Confident89.8Confident7 Ų763.8 Ų63.85%0.04737%0.368CS..SBendtrans-160174.3-179.255.60000109.5S112 G116 N151 C155S112-C114 VanDerWaalsContact C-N 3.33Å; C114-G116 PolarHBondContact O-N 2.66Å; C114-N151 CarbonylContact C-O 3.56Å; C114-N151 WeakPolarHBondContact CA-O 3.49Å; C114-C155 HydrophobicContact CB-CB 4Å; C114-C155 WeakPolarHBondContact CB-SG 3.23Å; C114-C155 PolarHBondContact O-SG 3.21Å; C114-C155 WeakPolarHBondContact SG-CA 2.96Å; C114-C155 WeakPolarHBondContact SG-CB 3.1Å; C114-C155 CovalentContact SG-SG 2.03Å; C114-C155 PolarHBondContact SG-SG 3.35Å
115G84.7Confident89.9Confident54 Ų5463.8 Ų63.856%0.55737%0.367SS*.SBendtrans76.77.5173.200000114.8N151 E153 C155G115-N151 PolarHBondContact N-O 3.38Å; G115-N151 VanDerWaalsContact N-O 3.15Å; G115-E153 PolarHBondContact N-O 2.83Å; G115-C155 PolarHBondContact N-SG 3.27Å
116G88.7Confident90Very high34 Ų3464 Ų6435%0.35137%0.373SS..  trans95.9123.1-172.400000112.2S112 C114 N151S112-G116 WeakPolarHBondContact CB-O 3.21Å; S112-G116 PolarHBondContact OG-O 2.6Å; C114-G116 PolarHBondContact O-N 2.66Å; G116-N151 WeakPolarHBondContact CA-O 3.44Å; G116-N151 PolarHBondContact N-O 2.96Å
117G92Very high90Very high9 Ų963.7 Ų63.79%0.09336%0.357CS..EExtended strand (participates in β ladder)trans-136.717717000000111.4N111 S149 C150N111-G117 WeakPolarHBondContact OD1-CA 3.5Å; G117-S149 WeakPolarHBondContact O-CA 3.33Å; G117-C150 PolarHBondContact N-O 2.65Å; G117-C150 PolarHBondContact O-N 3.33Å
118T94.3Very high89.8Confident65 Ų6560.4 Ų60.440%0.39936%0.355SS..EExtended strand (participates in β ladder)trans-116.8139.3171.654.90000110.2N111 I148N111-T118 PolarHBondContact N-O 3.1Å; N111-T118 VanDerWaalsContact N-O 3.16Å; N111-T118 PolarHBondContact ND2-OG1 3.21Å; N111-T118 PolarHBondContact OD1-N 3.34Å; N111-T118 PolarHBondContact OD1-O 2.93Å; T118-I148 WeakPolarHBondContact CA-O 3.07Å
119S92.9Very high89.7Confident13 Ų1359.4 Ų59.49%0.09135%0.348CS..EExtended strand (participates in β ladder)trans-127.5149.9171.1169.30000107.8S108 I148 C150S108-S119 PolarHBondContact O-OG 2.92Å; S119-I148 PolarHBondContact N-O 2.94Å; S119-I148 VanDerWaalsContact O-CG1 3.23Å; S119-I148 WeakPolarHBondContact O-CG1 3.34Å; S119-I148 PolarHBondContact O-N 3.33Å; S119-C150 PolarHBondContact N-SG 2.8Å
120S92.8Very high89.3Confident23 Ų2356 Ų5616%0.16133%0.325CS..EExtended strand (participates in β ladder)trans-105.5135.9178.3-57.20000110Y107 S108 V146Y107-S120 WeakPolarHBondContact CA-O 3.34Å; Y107-S120 VanDerWaalsContact CB-O 3.29Å; Y107-S120 WeakPolarHBondContact CB-O 3.39Å; Y107-S120 PolarHBondContact N-O 3.44Å; S108-S120 PolarHBondContact N-O 3.05Å; S108-S120 VanDerWaalsContact N-O 3.11Å; S108-S120 PolarHBondContact OG-N 3.09Å; S120-V146 CarbonylContact C-O 3.6Å; S120-V146 WeakPolarHBondContact CA-O 3.46Å
121L91.9Very high88.8Confident33 Ų3357.8 Ų57.817%0.17334%0.338CS..EExtended strand (participates in β ladder)trans-103.6149.1163.9-56.9-178000108.9L104 F105 V145 V146 I148L104-L121 HydrophobicContact CB-CB 4.15Å; L104-L121 HydrophobicContact CB-CD1 4.05Å; L104-L121 HydrophobicContact CD1-CD1 4.25Å; L104-L121 HydrophobicContact CD2-CB 3.92Å; L104-L121 HydrophobicContact CG-CB 4.5Å; F105-L121 CarbonylContact O-C 3.55Å; F105-L121 VanDerWaalsContact O-CA 3.22Å; F105-L121 WeakPolarHBondContact O-CA 3.48Å; L121-V145 CarbonylContact O-C 3.56Å; L121-V145 WeakPolarHBondContact O-CA 3.46Å; L121-V146 PolarHBondContact N-O 3.09Å; L121-V146 PolarHBondContact O-N 2.91Å; L121-I148 HydrophobicContact CD1-CD1 4.06Å; L121-I148 HydrophobicContact CD1-CG2 4.02Å; L121-I148 HydrophobicContact CD2-CD1 4.08Å; L121-I148 HydrophobicContact CG-CD1 3.94Å; L121-I148 HydrophobicContact CG-CG1 4.24Å; L121-I148 HydrophobicContact CG-CG2 4.29Å
122I91Very high87.9Confident47 Ų4760 Ų6024%0.24134%0.339CS..EExtended strand (participates in β ladder)trans-123.3144.6175.4-165.1168.6000110.7F105 Y107 T144 V145F105-I122 PolarHBondContact N-O 2.01Å; F105-I122 PolarHBondContact O-N 3.37Å; Y107-I122 HydrophobicContact CD2-CB 4.05Å; Y107-I122 HydrophobicContact CD2-CD1 3.98Å; Y107-I122 HydrophobicContact CD2-CG2 3.85Å; Y107-I122 HydrophobicContact CE2-CD1 4.1Å; Y107-I122 HydrophobicContact CG-CB 4.07Å; Y107-I122 HydrophobicContact CG-CG2 4.17Å; I122-T144 CarbonylContact C-O 3.27Å; I122-T144 VanDerWaalsContact CA-O 3.28Å; I122-T144 WeakPolarHBondContact CA-O 3.06Å; I122-T144 WeakPolarHBondContact CG1-O 3.41Å; I122-V145 HydrophobicContact CD1-CG2 4.33Å; I122-V145 HydrophobicContact CG1-CG2 4.27Å
123R88.9Confident86.9Confident50 Ų5066.1 Ų66.119%0.18937%0.369CS..  trans-130153.7166.961.4-174.5180168.322.8109.8E101 T102 L104 T143 T144E101-R123 IonicContact OE1-CZ 3.65Å; E101-R123 VanDerWaalsContact OE1-CZ 3.3Å; E101-R123 IonicContact OE1-NH1 3.08Å; E101-R123 PolarHBondContact OE1-NH1 2.91Å; E101-R123 IonicContact OE1-NH2 3.04Å; E101-R123 WeakPolarHBondContact OE2-CD 3.47Å; E101-R123 IonicContact OE2-CZ 2.68Å; E101-R123 IonicContact OE2-NE 3.72Å; E101-R123 PolarHBondContact OE2-NE 2.86Å; E101-R123 VanDerWaalsContact OE2-NE 3.16Å; E101-R123 IonicContact OE2-NH1 3.77Å; E101-R123 PolarHBondContact OE2-NH1 2.95Å; E101-R123 VanDerWaalsContact OE2-NH1 3.1Å; E101-R123 IonicContact OE2-NH2 2.86Å; E101-R123 PolarHBondContact OE2-NH2 2.82Å; T102-R123 WeakPolarHBondContact OG1-CA 3.49Å; L104-R123 HydrophobicContact CD2-CB 3.92Å; L104-R123 HydrophobicContact CD2-CG 3.99Å; R123-T143 PolarHBondContact NE-O 2.04Å; R123-T143 PolarHBondContact NH2-O 2.85Å; R123-T144 PolarHBondContact N-O 3.16Å; R123-T144 WeakPolarHBondContact O-CB 3.48Å
124Q88Confident85.7Confident136 Ų13663.8 Ų63.864%0.63635%0.354SS*.  trans-109.3144178.6-65.2-177.3-30.700110.4E101 T102 I126E101-Q124 CarbonylContact C-O 3.25Å; E101-Q124 VanDerWaalsContact CA-O 3.25Å; E101-Q124 WeakPolarHBondContact CA-O 3.38Å; T102-Q124 HydrophobicContact CG2-CB 4.02Å; T102-Q124 PolarHBondContact N-O 2.99Å; T102-Q124 PolarHBondContact OG1-N 2.83Å; Q124-I126 PolarHBondContact O-N 3.43Å
125I89.7Confident84.8Confident76 Ų7667.3 Ų67.339%0.3939%0.392SS..EExtended strand (participates in β ladder)trans-84.9109.5172.3-62172000107.3C141 T144I125-C141 HydrophobicContact CD1-CB 3.99Å; I125-C141 HydrophobicContact CG1-CB 4Å; I125-T144 HydrophobicContact CD1-CG2 4.38Å; I125-T144 HydrophobicContact CG1-CG2 4.45Å
126I87.9Confident84.2Confident116 Ų11668.1 Ų68.160%0.59539%0.386SS*.EExtended strand (participates in β ladder)trans-71.8-38.6176.4-57.9-179.6000109.6I100 T102 Q124I100-I126 HydrophobicContact CB-CB 4.39Å; I100-I126 HydrophobicContact CG2-CB 4.12Å; I100-I126 HydrophobicContact CG2-CD1 4.05Å; I100-I126 HydrophobicContact CG2-CG1 4.48Å; I100-I126 PolarHBondContact O-N 3.01Å; T102-I126 HydrophobicContact CG2-CD1 3.89Å; T102-I126 HydrophobicContact CG2-CG1 3.84Å; Q124-I126 PolarHBondContact O-N 3.43Å
127R87.9Confident83.6Confident104 Ų10472.1 Ų72.139%0.39241%0.408SS..EExtended strand (participates in β ladder)trans-149.7128178.8-172.9176.265.5-153.74.9110.7I97 C99 I100I97-R127 VanDerWaalsContact CG2-CZ 3.43Å; I97-R127 VanDerWaalsContact CG2-NE 3.32Å; C99-R127 VanDerWaalsContact CA-O 3.31Å; C99-R127 WeakPolarHBondContact CA-O 3.44Å; C99-R127 PolarHBondContact SG-O 2.83Å; I100-R127 HydrophobicContact CB-CB 4.41Å; I100-R127 VanDerWaalsContact CD1-CZ 3.48Å; I100-R127 PolarHBondContact N-O 3.36Å; I100-R127 PolarHBondContact O-N 3.39Å; I100-R127 VanDerWaalsContact O-N 3.11Å
128P85.6Confident83.2Confident84 Ų8472.9 Ų72.955%0.54541%0.411SS..  trans-71.3158.4177.531.2-35.6000111.7
129A87.4Confident82.8Confident21 Ų2174.2 Ų74.217%0.17442%0.419CS..  trans-68.9143.3170.900000110.9I97 C99 V138I97-A129 WeakPolarHBondContact O-CA 3.41Å; C99-A129 HydrophobicContact CB-CB 4.08Å; A129-V138 HydrophobicContact CB-CB 4.31Å; A129-V138 HydrophobicContact CB-CG2 4.02Å
130I83.9Confident82.4Confident60 Ų6078.8 Ų78.831%0.30844%0.439SS..BIsolated β-bridgetrans-129.1123.7178.3-56.9178.7000108.8P96 I97 W132P96-I130 VanDerWaalsContact CA-O 3.25Å; P96-I130 WeakPolarHBondContact CA-O 3.31Å; I97-I130 PolarHBondContact N-O 3.27Å; I97-I130 VanDerWaalsContact N-O 3.11Å; I97-I130 PolarHBondContact O-N 2.9Å; I130-W132 VanDerWaalsContact CG2-CD1 3.41Å; I130-W132 HydrophobicContact CG2-CG 4.39Å
131S81.6Confident82.1Confident70 Ų7078.6 Ų78.649%0.4944%0.437SS..  trans-127.2111173.961.50000110.5N133S131-N133 PolarHBondContact O-N 2.8Å
132W72.8Confident81.5Confident150 Ų15083.5 Ų83.557%0.56846%0.464SS*.  trans-95.859.5179.2-67.996.3000112P94 I130 S134P94-W132 HydrophobicContact CB-CG 4.28Å; P94-W132 HydrophobicContact CG-CD2 4.29Å; P94-W132 HydrophobicContact CG-CG 4.13Å; I130-W132 VanDerWaalsContact CG2-CD1 3.41Å; I130-W132 HydrophobicContact CG2-CG 4.39Å; W132-S134 PolarHBondContact O-N 2.04Å
133N67Low81Confident167 Ų16785 Ų8589%0.89348%0.475SS*.SBendtrans56.619179.9-57.2-27.6000115S131 G135S131-N133 PolarHBondContact O-N 2.8Å; N133-G135 PolarHBondContact O-N 3.35Å; N133-G135 VanDerWaalsContact O-N 3.09Å
134S63.6Low80.8Confident20 Ų2085.8 Ų85.814%0.1449%0.485CS..  trans-70.4-3.4-176.656.30000114.1W132 V136W132-S134 PolarHBondContact O-N 2.04Å; S134-V136 PolarHBondContact O-N 2.82Å
135G67.7Low80.9Confident82 Ų8281.9 Ų81.985%0.84547%0.471SS*.SBendtrans66.7-0.5-174.600000114.3N133N133-G135 PolarHBondContact O-N 3.35Å; N133-G135 VanDerWaalsContact O-N 3.09Å
136V72.9Confident80.9Confident70 Ų7080.5 Ų80.542%0.42447%0.466SS..  trans-90.1128-179.91790000109.2P96 S134P96-V136 HydrophobicContact CG-CB 3.96Å; P96-V136 HydrophobicContact CG-CG1 3.92Å; P96-V136 HydrophobicContact CG-CG2 4.48Å; S134-V136 PolarHBondContact O-N 2.82Å
137S76.5Confident81.1Confident118 Ų11882 Ų8283%0.82547%0.47SS*.  trans-65.6134173.7-60.50000110.9
138V82Confident81.4Confident26 Ų2680.2 Ų80.216%0.15847%0.468CS..  trans-111.1149.7174.1-730000110.6P96 A129 Q140P96-V138 HydrophobicContact CB-CG1 3.47Å; P96-V138 VanDerWaalsContact CB-CG1 3.47Å; A129-V138 HydrophobicContact CB-CB 4.31Å; A129-V138 HydrophobicContact CB-CG2 4.02Å; V138-Q140 VanDerWaalsContact CG2-NE2 3.29Å; V138-Q140 PolarHBondContact O-N 2.85Å
139V86.2Confident81.7Confident92 Ų9280.8 Ų80.856%0.55847%0.474SS*.  trans-73116172.3-177.70000109.4D98 C99D98-V139 HydrophobicContact CB-CB 4.26Å; D98-V139 PolarHBondContact OD1-N 3.06Å; C99-V139 VanDerWaalsContact CB-O 3.23Å; C99-V139 WeakPolarHBondContact CB-O 3.33Å; C99-V139 PolarHBondContact N-O 3.48Å; C99-V139 VanDerWaalsContact N-O 3.16Å
140Q85.9Confident82Confident110 Ų11080.8 Ų80.851%0.51447%0.472SS..  trans-91.4135.3177.2-64.7-68.2-22.800110.8V138V138-Q140 VanDerWaalsContact CG2-NE2 3.29Å; V138-Q140 PolarHBondContact O-N 2.85Å
141C86Confident82.2Confident18 Ų1881.4 Ų81.412%0.12248%0.476CS..  trans-91.3111.7168.5-59.20000109.2C99 E101 I125C99-C141 HydrophobicContact CB-CB 4.01Å; C99-C141 WeakPolarHBondContact CB-SG 3.07Å; C99-C141 WeakPolarHBondContact SG-CB 3.36Å; C99-C141 CovalentContact SG-SG 2.01Å; C99-C141 PolarHBondContact SG-SG 3.12Å; E101-C141 PolarHBondContact OE2-SG 2.82Å; E101-C141 VanDerWaalsContact OE2-SG 3.37Å; I125-C141 HydrophobicContact CD1-CB 3.99Å; I125-C141 HydrophobicContact CG1-CB 4Å
142N78.4Confident82.6Confident137 Ų13783 Ų8373%0.73348%0.483SS*.  trans-87.1-51.1-172.5-72.3-4.1000113.6
143T80.7Confident83.1Confident79 Ų7982.4 Ų82.449%0.48549%0.486SS..  trans-123.2128.7-167.1-37.10000111.6R123 V145R123-T143 PolarHBondContact NE-O 2.04Å; R123-T143 PolarHBondContact NH2-O 2.85Å; T143-V145 WeakPolarHBondContact CG2-O 3.21Å
144T84.7Confident83.8Confident65 Ų6577.6 Ų77.640%0.39946%0.464SS..SBendtrans-82.9-30.5174.648.90000112.2I122 R123 I125I122-T144 CarbonylContact C-O 3.27Å; I122-T144 VanDerWaalsContact CA-O 3.28Å; I122-T144 WeakPolarHBondContact CA-O 3.06Å; I122-T144 WeakPolarHBondContact CG1-O 3.41Å; R123-T144 PolarHBondContact N-O 3.16Å; R123-T144 WeakPolarHBondContact O-CB 3.48Å; I125-T144 HydrophobicContact CD1-CG2 4.38Å; I125-T144 HydrophobicContact CG1-CG2 4.45Å
145V89.9Confident84.8Confident55 Ų5577.3 Ų77.333%0.33346%0.462SS..EExtended strand (participates in β ladder)trans-112.1126.2-179.8-175.60000110L121 I122 T143L121-V145 CarbonylContact O-C 3.56Å; L121-V145 WeakPolarHBondContact O-CA 3.46Å; I122-V145 HydrophobicContact CD1-CG2 4.33Å; I122-V145 HydrophobicContact CG1-CG2 4.27Å; T143-V145 WeakPolarHBondContact CG2-O 3.21Å
146V89.8Confident85.5Confident46 Ų4674.5 Ų74.528%0.27943%0.431SS..EExtended strand (participates in β ladder)trans-116.5126.7179.9-1800000108.8L104 S120 L121 I148L104-V146 HydrophobicContact CD1-CG2 4.48Å; L104-V146 HydrophobicContact CD2-CB 4.15Å; L104-V146 HydrophobicContact CD2-CG2 3.75Å; S120-V146 CarbonylContact C-O 3.6Å; S120-V146 WeakPolarHBondContact CA-O 3.46Å; L121-V146 PolarHBondContact N-O 3.09Å; L121-V146 PolarHBondContact O-N 2.91Å; V146-I148 HydrophobicContact CG1-CG2 4.36Å
147E92.6Very high85.9Confident149 Ų14974.9 Ų74.970%0.69643%0.425SS*.EExtended strand (participates in β ladder)trans-87.8132.8173.9-64.5-173.5159.300110.6
148I93.1Very high86.1Confident66 Ų6672.8 Ų72.834%0.33841%0.405SS..EExtended strand (participates in β ladder)trans-125.3151.3177.361162.1000110.1T118 S119 L121 V146T118-I148 WeakPolarHBondContact CA-O 3.07Å; S119-I148 PolarHBondContact N-O 2.94Å; S119-I148 VanDerWaalsContact O-CG1 3.23Å; S119-I148 WeakPolarHBondContact O-CG1 3.34Å; S119-I148 PolarHBondContact O-N 3.33Å; L121-I148 HydrophobicContact CD1-CD1 4.06Å; L121-I148 HydrophobicContact CD1-CG2 4.02Å; L121-I148 HydrophobicContact CD2-CD1 4.08Å; L121-I148 HydrophobicContact CG-CD1 3.94Å; L121-I148 HydrophobicContact CG-CG1 4.24Å; L121-I148 HydrophobicContact CG-CG2 4.29Å; V146-I148 HydrophobicContact CG1-CG2 4.36Å
149S93.8Very high86.2Confident95 Ų9573.9 Ų73.966%0.66441%0.413SS*.EExtended strand (participates in β ladder)trans-77.6142.2170.352.10000110.9G117G117-S149 WeakPolarHBondContact O-CA 3.33Å
150C92.5Very high86Confident21 Ų2173.8 Ų73.814%0.14241%0.407CS..EExtended strand (participates in β ladder)trans-139.9161.3178.451.50000110.6C110 G117 S119 V152C110-C150 VanDerWaalsContact CA-SG 3.53Å; C110-C150 HydrophobicContact CB-CB 3.84Å; C110-C150 WeakPolarHBondContact CB-SG 3.39Å; C110-C150 WeakPolarHBondContact SG-CB 3.4Å; C110-C150 CovalentContact SG-SG 2.02Å; C110-C150 PolarHBondContact SG-SG 3.41Å; G117-C150 PolarHBondContact N-O 2.65Å; G117-C150 PolarHBondContact O-N 3.33Å; S119-C150 PolarHBondContact N-SG 2.8Å; C150-V152 VanDerWaalsContact C-N 3.31Å; C150-V152 PolarHBondContact O-N 3.33Å
151N89.2Confident85.9Confident74 Ų7471.7 Ų71.740%0.39640%0.402SS..  trans49.347174.5-60.8-14.1000114.1C110 S112 P113 C114 G115 G116 E153C110-N151 WeakPolarHBondContact CB-ND2 3.28Å; C110-N151 PolarHBondContact SG-ND2 3.13Å; S112-N151 WeakPolarHBondContact O-CB 3.44Å; S112-N151 PolarHBondContact O-ND2 3.28Å; P113-N151 WeakPolarHBondContact O-CB 3.48Å; P113-N151 PolarHBondContact O-ND2 2.66Å; C114-N151 CarbonylContact C-O 3.56Å; C114-N151 WeakPolarHBondContact CA-O 3.49Å; G115-N151 PolarHBondContact N-O 3.38Å; G115-N151 VanDerWaalsContact N-O 3.15Å; G116-N151 WeakPolarHBondContact CA-O 3.44Å; G116-N151 PolarHBondContact N-O 2.96Å; N151-E153 PolarHBondContact O-N 3.28Å
152V88.5Confident85.8Confident104 Ų10474.9 Ų74.963%0.6342%0.421SS*.  trans-72.2-13.7-176.5-168.50000112.5C150C150-V152 VanDerWaalsContact C-N 3.31Å; C150-V152 PolarHBondContact O-N 3.33Å
153E83.5Confident86.1Confident136 Ų13670.5 Ų70.564%0.63640%0.401SS*.SBendtrans-58.6140.6174.9-65.3-175.7174.600111.1G115 N151G115-E153 PolarHBondContact N-O 2.83Å; N151-E153 PolarHBondContact O-N 3.28Å
154P82.5Confident86.4Confident67 Ų6775.3 Ų75.344%0.43542%0.418SS..PPolyproline II helixtrans-59.7148.4178.625.5-34.2000111.6G194P154-G194 CarbonylContact C-O 3.49Å; P154-G194 PolarHBondContact O-N 3.3Å
155C84.5Confident86.4Confident14 Ų1475.7 Ų75.710%0.09541%0.413CS..EExtended strand (participates in β ladder)trans-78.7146.8170.9-65.30000110.8C114 G115 Y157 L189 T190 L192 G194C114-C155 HydrophobicContact CB-CB 4Å; C114-C155 WeakPolarHBondContact CB-SG 3.23Å; C114-C155 PolarHBondContact O-SG 3.21Å; C114-C155 WeakPolarHBondContact SG-CA 2.96Å; C114-C155 WeakPolarHBondContact SG-CB 3.1Å; C114-C155 CovalentContact SG-SG 2.03Å; C114-C155 PolarHBondContact SG-SG 3.35Å; G115-C155 PolarHBondContact N-SG 3.27Å; C155-Y157 WeakPolarHBondContact O-CD2 3.39Å; C155-L189 HydrophobicContact CB-CD1 3.58Å; C155-L189 HydrophobicContact CB-CG 4.45Å; C155-T190 WeakPolarHBondContact CB-O 3.4Å; C155-L192 CarbonylContact C-O 3.57Å; C155-L192 WeakPolarHBondContact CA-O 3.39Å; C155-G194 CarbonylContact C-O 3.57Å; C155-G194 VanDerWaalsContact C-O 3.27Å
156A82.9Confident86Confident23 Ų2375.2 Ų75.219%0.1941%0.412CS..EExtended strand (participates in β ladder)trans-66.8149.617000000110.5T190 L192A156-T190 WeakPolarHBondContact CB-OG1 3.22Å; A156-T190 WeakPolarHBondContact O-CB 3.31Å; A156-T190 PolarHBondContact O-N 2.75Å; A156-T190 PolarHBondContact O-OG1 3.45Å; A156-L192 HydrophobicContact CB-CB 4.4Å; A156-L192 PolarHBondContact N-O 2.86Å
157Y81.4Confident85.6Confident77 Ų7781.8 Ų81.830%0.30244%0.439SS..EExtended strand (participates in β ladder)trans-111.5137170.4-70.4-102.8000109.6C155 F188 L189 N196C155-Y157 WeakPolarHBondContact O-CD2 3.39Å; Y157-F188 CarbonylContact C-O 3.54Å; Y157-F188 VanDerWaalsContact CA-O 3.26Å; Y157-F188 WeakPolarHBondContact CA-O 3.29Å; Y157-L189 HydrophobicContact CD1-CB 4.47Å; Y157-L189 HydrophobicContact CD1-CD1 4.43Å; Y157-L189 HydrophobicContact CE1-CB 4.22Å; Y157-L189 HydrophobicContact CE1-CD1 3.89Å; Y157-L189 HydrophobicContact CE2-CD1 4.07Å; Y157-N196 WeakPolarHBondContact CD2-O 3.38Å
158D80.3Confident85.1Confident75 Ų7577.5 Ų77.540%0.40142%0.417SS..EExtended strand (participates in β ladder)trans-83.5124.2165.6-177.624.6000108.4Q160 F188 T190D158-Q160 PolarHBondContact OD2-NE2 3.1Å; D158-F188 HydrophobicContact CB-CB 4.46Å; D158-F188 PolarHBondContact N-O 2.77Å; D158-F188 PolarHBondContact O-N 2.95Å; D158-T190 HydrophobicContact CB-CG2 3.88Å
159C83.4Confident84.5Confident48 Ų4876.6 Ų76.632%0.32442%0.417SS..EExtended strand (participates in β ladder)trans-106103.9-173.6-63.80000109.1V185 C199C159-V185 HydrophobicContact CB-CG1 3.85Å; C159-C199 VanDerWaalsContact CA-SG 3.52Å; C159-C199 HydrophobicContact CB-CB 3.97Å; C159-C199 WeakPolarHBondContact CB-SG 3.01Å; C159-C199 VanDerWaalsContact SG-CA 3.59Å; C159-C199 WeakPolarHBondContact SG-CB 3.35Å; C159-C199 CovalentContact SG-SG 2.04Å; C159-C199 PolarHBondContact SG-SG 3.16Å
160Q81.9Confident83.8Confident91 Ų9177.2 Ų77.243%0.42542%0.421SS..EExtended strand (participates in β ladder)trans-112134-179.6-59.7-170.6-8.600111.6D158 T162 V185 V186 F188D158-Q160 PolarHBondContact OD2-NE2 3.1Å; Q160-T162 PolarHBondContact O-N 3.25Å; Q160-V185 WeakPolarHBondContact O-CG1 3.44Å; Q160-V186 PolarHBondContact N-O 2.9Å; Q160-V186 PolarHBondContact O-N 2.85Å; Q160-F188 HydrophobicContact CB-CD2 4.49Å; Q160-F188 HydrophobicContact CB-CE2 4.02Å; Q160-F188 HydrophobicContact CG-CD2 4.21Å; Q160-F188 HydrophobicContact CG-CE2 4.09Å
161P83.8Confident83Confident65 Ų6578.2 Ų78.242%0.42243%0.428SS..EExtended strand (participates in β ladder)trans-69130174.628.7-33.1000110.5
162T84.3Confident82.3Confident85 Ų8579.4 Ų79.452%0.52143%0.431SS..  trans-106.3-21.4177.953.40000113.3Q160 T184 V186Q160-T162 PolarHBondContact O-N 3.25Å; T162-T184 PolarHBondContact N-O 2.81Å; T162-T184 PolarHBondContact OG1-O 2.9Å; T162-V186 HydrophobicContact CG2-CB 3.97Å; T162-V186 HydrophobicContact CG2-CG1 3.54Å; T162-V186 HydrophobicContact CG2-CG2 3.32Å
163S84.3Confident81.2Confident45 Ų4580.4 Ų80.432%0.31544%0.437SS..SBendtrans-108.2158.1176.182.20000111.6T184S163-T184 PolarHBondContact N-O 3.48Å; S163-T184 PolarHBondContact OG-N 3.43Å
164Q86.7Confident80.2Confident180 Ų18077.9 Ų77.984%0.84144%0.44SS*.PPolyproline II helixtrans-64.3161.1158.1-63.9-173.7-4.500109.7
165W85.2Confident79.1Confident74 Ų7478 Ų7828%0.2845%0.454SS..PPolyproline II helixtrans-59.7138.8171.1-73.8105.6000111.4R181 R183 D202 E204W165-R181 HydrophobicContact CD2-CG 4.34Å; W165-R181 HydrophobicContact CE3-CB 4.36Å; W165-R181 HydrophobicContact CE3-CG 3.67Å; W165-R181 HydrophobicContact CZ3-CG 4.1Å; W165-R183 HydrophobicContact CD2-CB 4.15Å; W165-R183 HydrophobicContact CD2-CG 4.11Å; W165-R183 HydrophobicContact CE3-CB 3.92Å; W165-R183 HydrophobicContact CE3-CG 3.94Å; W165-R183 HydrophobicContact CH2-CG 4.03Å; W165-R183 HydrophobicContact CZ2-CG 4.18Å; W165-R183 HydrophobicContact CZ3-CB 4.3Å; W165-R183 HydrophobicContact CZ3-CG 3.91Å; W165-D202 WeakPolarHBondContact CH2-OD1 3.47Å; W165-D202 WeakPolarHBondContact CZ3-O 3.46Å; W165-E204 HydrophobicContact CH2-CB 3.97Å; W165-E204 HydrophobicContact CZ3-CB 4.05Å
166S82.3Confident78.2Confident45 Ų4582 Ų8232%0.31548%0.478SS..PPolyproline II helixtrans-64.9164.8167.965.90000111.4N182S166-N182 WeakPolarHBondContact CB-O 3.14Å; S166-N182 WeakPolarHBondContact CB-OD1 3.49Å; S166-N182 PolarHBondContact N-O 2.8Å; S166-N182 PolarHBondContact OG-N 2.89Å; S166-N182 PolarHBondContact OG-O 3.22Å; S166-N182 PolarHBondContact OG-OD1 2.8Å
167Q81.3Confident77.7Confident183 Ų18383.9 Ų83.986%0.85548%0.484SS*.PPolyproline II helixtrans-63.9147.4168.7-64.5-167.4-5.600109.8S169Q167-S169 PolarHBondContact O-N 3.11Å
168W81.1Confident77.6Confident59 Ų5981 Ų8122%0.22348%0.475CS..PPolyproline II helixtrans-59.4137.3174.4-70.399.4000110.7Q179 R181 E204 R206W168-Q179 HydrophobicContact CB-CB 4.33Å; W168-Q179 HydrophobicContact CD2-CB 4.43Å; W168-Q179 HydrophobicContact CE3-CB 3.73Å; W168-Q179 HydrophobicContact CZ3-CB 4.45Å; W168-Q179 WeakPolarHBondContact CZ3-O 3.5Å; W168-R181 HydrophobicContact CD2-CB 4.02Å; W168-R181 HydrophobicContact CD2-CG 4Å; W168-R181 VanDerWaalsContact CE2-CD 3.44Å; W168-R181 HydrophobicContact CE3-CB 3.84Å; W168-R181 HydrophobicContact CE3-CG 3.82Å; W168-R181 HydrophobicContact CH2-CG 3.68Å; W168-R181 VanDerWaalsContact CZ2-CD 3.42Å; W168-R181 HydrophobicContact CZ2-CG 3.84Å; W168-R181 VanDerWaalsContact CZ2-CZ 3.48Å; W168-R181 HydrophobicContact CZ3-CB 4.15Å; W168-R181 HydrophobicContact CZ3-CG 3.65Å; W168-E204 HydrophobicContact CH2-CB 4.17Å; W168-E204 HydrophobicContact CH2-CG 3.91Å; W168-E204 WeakPolarHBondContact CZ3-O 3.48Å; W168-R206 VanDerWaalsContact CD1-CZ 3.48Å; W168-R206 VanDerWaalsContact CD1-NH2 3.3Å; W168-R206 HydrophobicContact CD2-CG 4.36Å; W168-R206 VanDerWaalsContact CE2-CZ 3.45Å; W168-R206 HydrophobicContact CE3-CG 3.89Å; W168-R206 HydrophobicContact CH2-CB 3.87Å; W168-R206 HydrophobicContact CH2-CG 3.66Å; W168-R206 HydrophobicContact CZ2-CG 4.16Å; W168-R206 HydrophobicContact CZ3-CB 4.03Å; W168-R206 HydrophobicContact CZ3-CG 3.52Å
169S80.9Confident77.6Confident48 Ų4879 Ų7934%0.33646%0.463SS..PPolyproline II helixtrans-58.1162.6171.272.40000111.2Q167 Q179 K180Q167-S169 PolarHBondContact O-N 3.11Å; S169-Q179 VanDerWaalsContact O-CG 3.24Å; S169-Q179 WeakPolarHBondContact O-CG 3.49Å; S169-Q179 PolarHBondContact O-NE2 3.07Å; S169-Q179 WeakPolarHBondContact OG-CA 3.45Å; S169-K180 WeakPolarHBondContact CB-O 3.34Å; S169-K180 PolarHBondContact N-O 2.99Å; S169-K180 PolarHBondContact OG-N 2.94Å; S169-K180 PolarHBondContact OG-O 3.46Å
170S79.1Confident77.7Confident107 Ų10781.6 Ų81.675%0.74847%0.469SS*.PPolyproline II helixtrans-55.9152163.448.60000110.3E172S170-E172 PolarHBondContact O-N 3.31Å
171C76.5Confident77.9Confident43 Ų4380.1 Ų80.129%0.29146%0.459SS..PPolyproline II helixtrans-68124.3177.7-168.70000109.4T173 Q179 C208C171-T173 PolarHBondContact O-N 3.42Å; C171-Q179 HydrophobicContact CB-CG 4.35Å; C171-C208 WeakPolarHBondContact CA-SG 3.41Å; C171-C208 HydrophobicContact CB-CB 3.87Å; C171-C208 WeakPolarHBondContact CB-SG 3.23Å; C171-C208 WeakPolarHBondContact SG-CB 2.97Å; C171-C208 CovalentContact SG-SG 2.03Å; C171-C208 PolarHBondContact SG-SG 2.9Å
172E74.4Confident78.2Confident98 Ų9881.5 Ų81.546%0.45846%0.463SS..  trans-76.1103179.3-170.1166.1-163.300110.1S170 A174 L177 T178S170-E172 PolarHBondContact O-N 3.31Å; E172-A174 PolarHBondContact O-N 3.12Å; E172-L177 VanDerWaalsContact O-CA 3.28Å; E172-L177 WeakPolarHBondContact O-CA 3.33Å; E172-L177 PolarHBondContact O-N 3.38Å; E172-T178 PolarHBondContact N-O 3.47Å; E172-T178 VanDerWaalsContact N-O 3.09Å
173T64Low78.3Confident125 Ų12581 Ų8177%0.76745%0.452SS*.THydrogen-bonded Turntrans-70.9-17.1-176.1-37.10000113.4C171 G175C171-T173 PolarHBondContact O-N 3.42Å; T173-G175 PolarHBondContact O-N 2.85Å
174A63.1Low78.3Confident83 Ų8383 Ų8369%0.68646%0.462SS*.THydrogen-bonded Turntrans-87.587.4-179.600000110.8E172E172-A174 PolarHBondContact O-N 3.12Å
175G60.5Low78.2Confident71 Ų7176 Ų7673%0.73243%0.431SS*.THydrogen-bonded Turntrans106.2-91.416900000113.9T173T173-G175 PolarHBondContact O-N 2.85Å
176T65.5Low78.1Confident97 Ų9775 Ų7560%0.59543%0.433SS*.THydrogen-bonded Turntrans-88.6-4.6-164.149.90000115.6T178T176-T178 PolarHBondContact O-N 3.4Å; T176-T178 PolarHBondContact OG1-OG1 3.24Å
177L71.2Confident78Confident62 Ų6275.7 Ų75.733%0.32544%0.438SS..  trans48.160.5-176.6-66.3170.8000111.5E172 E207 C208E172-L177 VanDerWaalsContact O-CA 3.28Å; E172-L177 WeakPolarHBondContact O-CA 3.33Å; E172-L177 PolarHBondContact O-N 3.38Å; L177-E207 CarbonylContact O-C 3.56Å; L177-E207 WeakPolarHBondContact O-CA 3.28Å; L177-C208 PolarHBondContact O-N 3.21Å; L177-C208 PolarHBondContact O-SG 2.93Å
178T79.5Confident77.9Confident17 Ų1771.9 Ų71.910%0.10442%0.419CS..EExtended strand (participates in β ladder)trans-114146.9-179460000112.3E172 T176 V205 R206 E207 C208E172-T178 PolarHBondContact N-O 3.47Å; E172-T178 VanDerWaalsContact N-O 3.09Å; T176-T178 PolarHBondContact O-N 3.4Å; T176-T178 PolarHBondContact OG1-OG1 3.24Å; T178-V205 HydrophobicContact CG2-CG1 3.94Å; T178-R206 CarbonylContact C-O 3.58Å; T178-R206 VanDerWaalsContact CA-O 3.27Å; T178-R206 WeakPolarHBondContact CA-O 3.06Å; T178-E207 HydrophobicContact CG2-CG 4.41Å; T178-C208 VanDerWaalsContact C-SG 3.52Å
179Q80.5Confident77.7Confident34 Ų3474.5 Ų74.516%0.15944%0.437CS..EExtended strand (participates in β ladder)trans-110.9144.5164.4-67.1179.7-29.100109.1W168 S169 C171 V205 R206 C208W168-Q179 HydrophobicContact CB-CB 4.33Å; W168-Q179 HydrophobicContact CD2-CB 4.43Å; W168-Q179 HydrophobicContact CE3-CB 3.73Å; W168-Q179 HydrophobicContact CZ3-CB 4.45Å; W168-Q179 WeakPolarHBondContact CZ3-O 3.5Å; S169-Q179 VanDerWaalsContact O-CG 3.24Å; S169-Q179 WeakPolarHBondContact O-CG 3.49Å; S169-Q179 PolarHBondContact O-NE2 3.07Å; S169-Q179 WeakPolarHBondContact OG-CA 3.45Å; C171-Q179 HydrophobicContact CB-CG 4.35Å; Q179-V205 WeakPolarHBondContact O-CA 3.23Å; Q179-R206 HydrophobicContact CB-CG 4.1Å; Q179-R206 PolarHBondContact N-O 3.34Å; Q179-R206 PolarHBondContact O-N 3.48Å; Q179-R206 VanDerWaalsContact OE1-CZ 3.27Å; Q179-C208 HydrophobicContact CG-CB 3.92Å
180K86.7Confident77.6Confident102 Ų10273.9 Ų73.944%0.44343%0.431SS..EExtended strand (participates in β ladder)trans-118.1144.4175.6-57.4-176.5-178.1166.40109.1S169 V203 E204 V205S169-K180 WeakPolarHBondContact CB-O 3.34Å; S169-K180 PolarHBondContact N-O 2.99Å; S169-K180 PolarHBondContact OG-N 2.94Å; S169-K180 PolarHBondContact OG-O 3.46Å; K180-V203 HydrophobicContact CB-CG1 4.33Å; K180-E204 WeakPolarHBondContact CA-O 3.48Å; K180-V205 HydrophobicContact CD-CG2 4.49Å; K180-V205 HydrophobicContact CG-CG1 4.31Å; K180-V205 HydrophobicContact CG-CG2 4.11Å
181R85.7Confident77.5Confident59 Ų5976.5 Ų76.522%0.22343%0.431CS..EExtended strand (participates in β ladder)trans-132.1152.7162.765175.8179.9-172.9-4.7108.3W165 W168 V203 E204W165-R181 HydrophobicContact CD2-CG 4.34Å; W165-R181 HydrophobicContact CE3-CB 4.36Å; W165-R181 HydrophobicContact CE3-CG 3.67Å; W165-R181 HydrophobicContact CZ3-CG 4.1Å; W168-R181 HydrophobicContact CD2-CB 4.02Å; W168-R181 HydrophobicContact CD2-CG 4Å; W168-R181 VanDerWaalsContact CE2-CD 3.44Å; W168-R181 HydrophobicContact CE3-CB 3.84Å; W168-R181 HydrophobicContact CE3-CG 3.82Å; W168-R181 HydrophobicContact CH2-CG 3.68Å; W168-R181 VanDerWaalsContact CZ2-CD 3.42Å; W168-R181 HydrophobicContact CZ2-CG 3.84Å; W168-R181 VanDerWaalsContact CZ2-CZ 3.48Å; W168-R181 HydrophobicContact CZ3-CB 4.15Å; W168-R181 HydrophobicContact CZ3-CG 3.65Å; R181-V203 WeakPolarHBondContact O-CA 2.98Å; R181-E204 HydrophobicContact CG-CB 3.95Å; R181-E204 IonicContact CZ-OE2 2.63Å; R181-E204 PolarHBondContact N-O 2.85Å; R181-E204 IonicContact NE-OE2 3.78Å; R181-E204 PolarHBondContact NE-OE2 3.41Å; R181-E204 IonicContact NH2-OE1 3.08Å; R181-E204 PolarHBondContact NH2-OE1 3.34Å; R181-E204 IonicContact NH2-OE2 2.77Å; R181-E204 PolarHBondContact NH2-OE2 2.89Å; R181-E204 PolarHBondContact O-N 3.05Å
182N88.9Confident77.5Confident95 Ų9580.1 Ų80.151%0.50845%0.447SS..EExtended strand (participates in β ladder)trans-132.2158.1-178.957.8-0.5000110.1S166 D202 V203S166-N182 WeakPolarHBondContact CB-O 3.14Å; S166-N182 WeakPolarHBondContact CB-OD1 3.49Å; S166-N182 PolarHBondContact N-O 2.8Å; S166-N182 PolarHBondContact OG-N 2.89Å; S166-N182 PolarHBondContact OG-O 3.22Å; S166-N182 PolarHBondContact OG-OD1 2.8Å; N182-D202 WeakPolarHBondContact CA-O 3.42Å; N182-V203 HydrophobicContact CB-CG2 4.25Å
183R86.7Confident77.4Confident74 Ų7479.2 Ų79.228%0.27945%0.45SS..EExtended strand (participates in β ladder)trans-135.6154.816764179.9176.1-177.7-1.1109.8W165 D202W165-R183 HydrophobicContact CD2-CB 4.15Å; W165-R183 HydrophobicContact CD2-CG 4.11Å; W165-R183 HydrophobicContact CE3-CB 3.92Å; W165-R183 HydrophobicContact CE3-CG 3.94Å; W165-R183 HydrophobicContact CH2-CG 4.03Å; W165-R183 HydrophobicContact CZ2-CG 4.18Å; W165-R183 HydrophobicContact CZ3-CB 4.3Å; W165-R183 HydrophobicContact CZ3-CG 3.91Å; R183-D202 HydrophobicContact CG-CB 4.01Å; R183-D202 IonicContact CZ-OD2 2.68Å; R183-D202 PolarHBondContact N-O 3.48Å; R183-D202 VanDerWaalsContact N-O 3.15Å; R183-D202 IonicContact NE-OD2 3.33Å; R183-D202 PolarHBondContact NE-OD2 2.9Å; R183-D202 IonicContact NH2-OD2 2.65Å; R183-D202 PolarHBondContact NH2-OD2 3.46Å
184T84.4Confident77.9Confident86 Ų8674.3 Ų74.353%0.52842%0.424SS..  trans-77.1130.7176.8-46.20000109.3T162 S163T162-T184 PolarHBondContact N-O 2.81Å; T162-T184 PolarHBondContact OG1-O 2.9Å; S163-T184 PolarHBondContact N-O 3.48Å; S163-T184 PolarHBondContact OG-N 3.43Å
185V84.9Confident78.1Confident34 Ų3474.5 Ų74.521%0.20643%0.426CS..EExtended strand (participates in β ladder)trans-116.4138173.8-173.10000107.7C159 Q160 C199 D202C159-V185 HydrophobicContact CB-CG1 3.85Å; Q160-V185 WeakPolarHBondContact O-CG1 3.44Å; V185-C199 HydrophobicContact CG1-CB 4.27Å; V185-D202 HydrophobicContact CG2-CB 3.43Å; V185-D202 VanDerWaalsContact CG2-CB 3.43Å
186V82.9Confident78.2Confident53 Ų5375.6 Ų75.632%0.32142%0.415SS..EExtended strand (participates in β ladder)trans-106.9148.5168.8-60.10000109.2Q160 T162 F188Q160-V186 PolarHBondContact N-O 2.9Å; Q160-V186 PolarHBondContact O-N 2.85Å; T162-V186 HydrophobicContact CG2-CB 3.97Å; T162-V186 HydrophobicContact CG2-CG1 3.54Å; T162-V186 HydrophobicContact CG2-CG2 3.32Å; V186-F188 HydrophobicContact CG2-CD2 4.37Å; V186-F188 HydrophobicContact CG2-CE1 4.39Å; V186-F188 HydrophobicContact CG2-CE2 3.62Å; V186-F188 HydrophobicContact CG2-CZ 3.62Å
187S80.2Confident78.2Confident59 Ų5974.2 Ų74.241%0.41341%0.413SS..EExtended strand (participates in β ladder)trans-101.2130.1178.265.70000109.4C199S187-C199 WeakPolarHBondContact CB-SG 3.07Å
188F80Confident78.1Confident104 Ų10476.5 Ų76.546%0.45643%0.43SS..EExtended strand (participates in β ladder)trans-107.9125169.7-60.4-77000108.7Y157 D158 Q160 V186 T190Y157-F188 CarbonylContact C-O 3.54Å; Y157-F188 VanDerWaalsContact CA-O 3.26Å; Y157-F188 WeakPolarHBondContact CA-O 3.29Å; D158-F188 HydrophobicContact CB-CB 4.46Å; D158-F188 PolarHBondContact N-O 2.77Å; D158-F188 PolarHBondContact O-N 2.95Å; Q160-F188 HydrophobicContact CB-CD2 4.49Å; Q160-F188 HydrophobicContact CB-CE2 4.02Å; Q160-F188 HydrophobicContact CG-CD2 4.21Å; Q160-F188 HydrophobicContact CG-CE2 4.09Å; V186-F188 HydrophobicContact CG2-CD2 4.37Å; V186-F188 HydrophobicContact CG2-CE1 4.39Å; V186-F188 HydrophobicContact CG2-CE2 3.62Å; V186-F188 HydrophobicContact CG2-CZ 3.62Å; F188-T190 PolarHBondContact O-N 2.84Å
189L77.1Confident78Confident114 Ų11476.8 Ų76.860%0.59743%0.432SS*.EExtended strand (participates in β ladder)trans-64.1127175.8-174.670.3000109.6C155 Y157C155-L189 HydrophobicContact CB-CD1 3.58Å; C155-L189 HydrophobicContact CB-CG 4.45Å; Y157-L189 HydrophobicContact CD1-CB 4.47Å; Y157-L189 HydrophobicContact CD1-CD1 4.43Å; Y157-L189 HydrophobicContact CE1-CB 4.22Å; Y157-L189 HydrophobicContact CE1-CD1 3.89Å; Y157-L189 HydrophobicContact CE2-CD1 4.07Å
190T77.5Confident77.9Confident34 Ų3479.7 Ų79.721%0.20945%0.454CS..EExtended strand (participates in β ladder)trans-101.3165.5174.977.10000111.1C155 A156 D158 F188 L192C155-T190 WeakPolarHBondContact CB-O 3.4Å; A156-T190 WeakPolarHBondContact CB-OG1 3.22Å; A156-T190 WeakPolarHBondContact O-CB 3.31Å; A156-T190 PolarHBondContact O-N 2.75Å; A156-T190 PolarHBondContact O-OG1 3.45Å; D158-T190 HydrophobicContact CB-CG2 3.88Å; F188-T190 PolarHBondContact O-N 2.84Å; T190-L192 PolarHBondContact O-N 3.02Å; T190-L192 PolarHBondContact OG1-N 2.03Å
191Q76.7Confident77.7Confident163 Ų16382 Ų8276%0.76247%0.472SS*.EExtended strand (participates in β ladder)trans-87.612.8174-65.8-176-1.200113P113P113-Q191 WeakPolarHBondContact CB-O 2.97Å; P113-Q191 HydrophobicContact CG-CB 3.99Å; P113-Q191 VanDerWaalsContact CG-O 3.31Å; P113-Q191 WeakPolarHBondContact CG-O 3.25Å
192L77Confident77.7Confident118 Ų11881.5 Ų81.562%0.61847%0.473SS*.EExtended strand (participates in β ladder)trans-102.7144.9-177.6-66169.7000110.3C155 A156 T190C155-L192 CarbonylContact C-O 3.57Å; C155-L192 WeakPolarHBondContact CA-O 3.39Å; A156-L192 HydrophobicContact CB-CB 4.4Å; A156-L192 PolarHBondContact N-O 2.86Å; T190-L192 PolarHBondContact O-N 3.02Å; T190-L192 PolarHBondContact OG1-N 2.03Å
193P73.4Confident77.7Confident79 Ų7980.2 Ų80.251%0.51347%0.468SS..EExtended strand (participates in β ladder)trans-61.5137169.8-17.830000110.9
194G74.1Confident77.7Confident23 Ų2380.2 Ų80.224%0.23747%0.472CS..  trans-178145.7173.300000114.4P154 C155 N196P154-G194 CarbonylContact C-O 3.49Å; P154-G194 PolarHBondContact O-N 3.3Å; C155-G194 CarbonylContact C-O 3.57Å; C155-G194 VanDerWaalsContact C-O 3.27Å; G194-N196 VanDerWaalsContact C-N 3.31Å; G194-N196 PolarHBondContact O-N 3.3Å
195A66.9Low77.8Confident86 Ų8679.9 Ų79.971%0.71147%0.47SS*.SBendtrans-79.6-2.3-167.700000115.6A197A195-A197 PolarHBondContact O-N 2.97Å
196N62.5Low77.6Confident94 Ų9483.5 Ų83.550%0.50348%0.479SS..  trans-84.683.9-172.6-713.1000110.4Y157 G194 T198Y157-N196 WeakPolarHBondContact CD2-O 3.38Å; G194-N196 VanDerWaalsContact C-N 3.31Å; G194-N196 PolarHBondContact O-N 3.3Å; N196-T198 PolarHBondContact O-N 3.35Å; N196-T198 VanDerWaalsContact O-N 3.1Å
197A64.4Low77.3Confident68 Ų6885.8 Ų85.856%0.56249%0.487SS*.SBendtrans-56.9-24.8175.900000113.2A195A195-A197 PolarHBondContact O-N 2.97Å
198T70.9Confident76.9Confident110 Ų11084 Ų8468%0.67547%0.474SS*.SBendtrans-144.5148176.450.80000110.5N196N196-T198 PolarHBondContact O-N 3.35Å; N196-T198 VanDerWaalsContact O-N 3.1Å
199C75.8Confident75.9Confident23 Ų2382.6 Ų82.616%0.15547%0.471CS..PPolyproline II helixtrans-67.1133.3168.6-68.90000109.1C159 V185 S187C159-C199 VanDerWaalsContact CA-SG 3.52Å; C159-C199 HydrophobicContact CB-CB 3.97Å; C159-C199 WeakPolarHBondContact CB-SG 3.01Å; C159-C199 VanDerWaalsContact SG-CA 3.59Å; C159-C199 WeakPolarHBondContact SG-CB 3.35Å; C159-C199 CovalentContact SG-SG 2.04Å; C159-C199 PolarHBondContact SG-SG 3.16Å; V185-C199 HydrophobicContact CG1-CB 4.27Å; S187-C199 WeakPolarHBondContact CB-SG 3.07Å
200P79.7Confident74.6Confident96 Ų9684 Ų8462%0.62348%0.479SS*.PPolyproline II helixtrans-63.7149.717226.9-32.6000110.3D202P200-D202 PolarHBondContact O-N 2.8Å
201D81.9Confident73Confident151 Ų15187.6 Ų87.681%0.80750%0.5SS*.PPolyproline II helixtrans-59.5126.1172.2-68.6-44.4000109.6V203D201-V203 HydrophobicContact CB-CG2 3.96Å; D201-V203 PolarHBondContact O-N 2.87Å; D201-V203 VanDerWaalsContact O-N 3.1Å
202D86.4Confident71.5Confident48 Ų4883.3 Ų83.326%0.25748%0.482SS..EExtended strand (participates in β ladder)trans-8592.9179.9-161.4-4.3000109.7W165 N182 R183 V185 P200W165-D202 WeakPolarHBondContact CH2-OD1 3.47Å; W165-D202 WeakPolarHBondContact CZ3-O 3.46Å; N182-D202 WeakPolarHBondContact CA-O 3.42Å; R183-D202 HydrophobicContact CG-CB 4.01Å; R183-D202 IonicContact CZ-OD2 2.68Å; R183-D202 PolarHBondContact N-O 3.48Å; R183-D202 VanDerWaalsContact N-O 3.15Å; R183-D202 IonicContact NE-OD2 3.33Å; R183-D202 PolarHBondContact NE-OD2 2.9Å; R183-D202 IonicContact NH2-OD2 2.65Å; R183-D202 PolarHBondContact NH2-OD2 3.46Å; V185-D202 HydrophobicContact CG2-CB 3.43Å; V185-D202 VanDerWaalsContact CG2-CB 3.43Å; P200-D202 PolarHBondContact O-N 2.8Å
203V88.1Confident70.4Confident67 Ų6784.1 Ų84.141%0.40649%0.494SS..EExtended strand (participates in β ladder)trans-119.2124.4-175.9-176.10000109.1K180 R181 N182 D201 V205K180-V203 HydrophobicContact CB-CG1 4.33Å; R181-V203 WeakPolarHBondContact O-CA 2.98Å; N182-V203 HydrophobicContact CB-CG2 4.25Å; D201-V203 HydrophobicContact CB-CG2 3.96Å; D201-V203 PolarHBondContact O-N 2.87Å; D201-V203 VanDerWaalsContact O-N 3.1Å; V203-V205 HydrophobicContact CG1-CG2 4.26Å
204E87.5Confident69.2Low74 Ų7487.7 Ų87.735%0.34651%0.508SS..EExtended strand (participates in β ladder)trans-102.6133.8170.9-166-177.4159.300109.4W165 W168 K180 R181W165-E204 HydrophobicContact CH2-CB 3.97Å; W165-E204 HydrophobicContact CZ3-CB 4.05Å; W168-E204 HydrophobicContact CH2-CB 4.17Å; W168-E204 HydrophobicContact CH2-CG 3.91Å; W168-E204 WeakPolarHBondContact CZ3-O 3.48Å; K180-E204 WeakPolarHBondContact CA-O 3.48Å; R181-E204 HydrophobicContact CG-CB 3.95Å; R181-E204 IonicContact CZ-OE2 2.63Å; R181-E204 PolarHBondContact N-O 2.85Å; R181-E204 IonicContact NE-OE2 3.78Å; R181-E204 PolarHBondContact NE-OE2 3.41Å; R181-E204 IonicContact NH2-OE1 3.08Å; R181-E204 PolarHBondContact NH2-OE1 3.34Å; R181-E204 IonicContact NH2-OE2 2.77Å; R181-E204 PolarHBondContact NH2-OE2 2.89Å; R181-E204 PolarHBondContact O-N 3.05Å
205V85.6Confident68Low80 Ų8088.4 Ų88.449%0.48552%0.516SS..EExtended strand (participates in β ladder)trans-118130.1179.1-171.40000108.3T178 Q179 K180 V203T178-V205 HydrophobicContact CG2-CG1 3.94Å; Q179-V205 WeakPolarHBondContact O-CA 3.23Å; K180-V205 HydrophobicContact CD-CG2 4.49Å; K180-V205 HydrophobicContact CG-CG1 4.31Å; K180-V205 HydrophobicContact CG-CG2 4.11Å; V203-V205 HydrophobicContact CG1-CG2 4.26Å
206R81.3Confident67.4Low109 Ų10991.7 Ų91.741%0.41153%0.527SS..EExtended strand (participates in β ladder)trans-127.5150.5171.874.2179.1180-177.61.6110.8W168 T178 Q179W168-R206 VanDerWaalsContact CD1-CZ 3.48Å; W168-R206 VanDerWaalsContact CD1-NH2 3.3Å; W168-R206 HydrophobicContact CD2-CG 4.36Å; W168-R206 VanDerWaalsContact CE2-CZ 3.45Å; W168-R206 HydrophobicContact CE3-CG 3.89Å; W168-R206 HydrophobicContact CH2-CB 3.87Å; W168-R206 HydrophobicContact CH2-CG 3.66Å; W168-R206 HydrophobicContact CZ2-CG 4.16Å; W168-R206 HydrophobicContact CZ3-CB 4.03Å; W168-R206 HydrophobicContact CZ3-CG 3.52Å; T178-R206 CarbonylContact C-O 3.58Å; T178-R206 VanDerWaalsContact CA-O 3.27Å; T178-R206 WeakPolarHBondContact CA-O 3.06Å; Q179-R206 HydrophobicContact CB-CG 4.1Å; Q179-R206 PolarHBondContact N-O 3.34Å; Q179-R206 PolarHBondContact O-N 3.48Å; Q179-R206 VanDerWaalsContact OE1-CZ 3.27Å
207E76Confident67.1Low102 Ų10289.4 Ų89.448%0.47753%0.526SS..EExtended strand (participates in β ladder)trans-76.3125.9169.3-62.7179.417800109.3L177 T178 L209 G255L177-E207 CarbonylContact O-C 3.56Å; L177-E207 WeakPolarHBondContact O-CA 3.28Å; T178-E207 HydrophobicContact CG2-CG 4.41Å; E207-L209 HydrophobicContact CB-CB 4.38Å; E207-L209 PolarHBondContact O-N 3.44Å; E207-G255 PolarHBondContact OE2-N 3.46Å
208C71.5Confident67.4Low22 Ų2294.9 Ų94.915%0.14954%0.537CS..  trans-88.957.2167.735.60000108.9C171 L177 T178 Q179 N210C171-C208 WeakPolarHBondContact CA-SG 3.41Å; C171-C208 HydrophobicContact CB-CB 3.87Å; C171-C208 WeakPolarHBondContact CB-SG 3.23Å; C171-C208 WeakPolarHBondContact SG-CB 2.97Å; C171-C208 CovalentContact SG-SG 2.03Å; C171-C208 PolarHBondContact SG-SG 2.9Å; L177-C208 PolarHBondContact O-N 3.21Å; L177-C208 PolarHBondContact O-SG 2.93Å; T178-C208 VanDerWaalsContact C-SG 3.52Å; Q179-C208 HydrophobicContact CG-CB 3.92Å; C208-N210 PolarHBondContact O-N 3.25Å
209L60.8Low67.3Low73 Ų7391.9 Ų91.938%0.38252%0.52SS..  trans-78.477.7-177.9-143.5138.2000110.2E207 V211 P254E207-L209 HydrophobicContact CB-CB 4.38Å; E207-L209 PolarHBondContact O-N 3.44Å; L209-V211 PolarHBondContact O-N 3.37Å; L209-P254 HydrophobicContact CD1-CB 3.75Å
210N48.7Very low67.3Low144 Ų14496.1 Ų96.177%0.7754%0.536SS*.  trans-7998.5151.6-79.4-24.1000107.4C208C208-N210 PolarHBondContact O-N 3.25Å
211V43.6Very low67.6Low109 Ų10994.8 Ų94.866%0.66152%0.523SS*.  trans60.8110.5150.6-168.60000116L209L209-V211 PolarHBondContact O-N 3.37Å
212M45.1Very low67.9Low74 Ų7488.6 Ų88.637%0.36549%0.491SS..  trans-44.2146163.9-72.6-164.2-86.400111.6N214 G215 G217M212-N214 CarbonylContact O-C 3.56Å; M212-N214 PolarHBondContact O-N 2.7Å; M212-G215 PolarHBondContact O-N 3.08Å; M212-G217 WeakPolarHBondContact CE-O 3.38Å
213P54.7Low68Low134 Ų13492.5 Ų92.587%0.8751%0.506SS*.SBendtrans-62.2-7-17721.5-30.9000115.2
214N47.3Very low68.2Low154 Ų15491.3 Ų91.382%0.82449%0.494SS*.SBendtrans-134.281.8162.5-86.5-31000108.7M212M212-N214 CarbonylContact O-C 3.56Å; M212-N214 PolarHBondContact O-N 2.7Å
215G48.7Very low68.4Low38 Ų3891 Ų9139%0.39250%0.496SS..  trans-57.6133.2-176.400000112.7M212M212-G215 PolarHBondContact O-N 3.08Å
216T54.2Low68.8Low155 Ų15596 Ų9695%0.95151%0.513SS*.  trans148.94.9154.948.30000114
217G57.7Low69.4Low47 Ų4794.2 Ų94.249%0.48551%0.507SS..PPolyproline II helixtrans-99.3136.1172.500000113.8M212M212-G217 WeakPolarHBondContact CE-O 3.38Å
218K70.8Confident70.3Confident183 Ų18393.7 Ų93.780%0.79650%0.504SS*.PPolyproline II helixtrans-58.5140.8163.5-175.8-179.6179-177.80109.3K220K218-K220 PolarHBondContact O-N 3.39Å
219P68.1Low71.4Confident47 Ų47101.5 Ų101.531%0.30554%0.539SS..PPolyproline II helixtrans-51.1131174-25.233000110.7
220K76.7Confident73Confident112 Ų112101.2 Ų101.249%0.48753%0.533SS..PPolyproline II helixtrans-85.9123.3176.9-62.8173.6-179.51710109.2K218 D253K218-K220 PolarHBondContact O-N 3.39Å; K220-D253 VanDerWaalsContact CB-OD2 3.23Å; K220-D253 WeakPolarHBondContact CB-OD2 3.44Å; K220-D253 WeakPolarHBondContact CG-OD2 3.43Å; K220-D253 PolarHBondContact N-OD2 3.02Å; K220-D253 PolarHBondContact O-N 3.15Å
221D85.8Confident75Confident68 Ų6896.8 Ų96.836%0.36451%0.51SS..PPolyproline II helixtrans-64.3160.9173.9-63.5-20.2000111.4K223 G256 K257D221-K223 PolarHBondContact O-N 2.76Å; D221-G256 WeakPolarHBondContact OD1-CA 3.4Å; D221-K257 HydrophobicContact CB-CB 4.04Å; D221-K257 PolarHBondContact OD1-N 3.31Å
222C87.4Confident77.2Confident20 Ų2096.2 Ų96.214%0.13551%0.509CS..PPolyproline II helixtrans-53.3137.7170.7176.30000111.7R250 P252 K257 C259C222-R250 WeakPolarHBondContact CA-O 3.3Å; C222-P252 HydrophobicContact CB-CB 4.37Å; C222-K257 WeakPolarHBondContact CB-O 3.37Å; C222-K257 PolarHBondContact N-O 2.91Å; C222-C259 HydrophobicContact CB-CB 3.88Å; C222-C259 WeakPolarHBondContact CB-SG 3.11Å; C222-C259 WeakPolarHBondContact SG-CA 3.2Å; C222-C259 WeakPolarHBondContact SG-CB 3.21Å; C222-C259 CovalentContact SG-SG 2.01Å; C222-C259 PolarHBondContact SG-SG 2.9Å
223K89.1Confident79.3Confident131 Ų13195.8 Ų95.857%0.5751%0.513SS*.EExtended strand (participates in β ladder)trans-121132.6175.3-170.4-177.6176.5-173.90110.2D221 S249 R250D221-K223 PolarHBondContact O-N 2.76Å; K223-S249 WeakPolarHBondContact O-CA 3.4Å; K223-S249 WeakPolarHBondContact O-CB 3.36Å; K223-S249 PolarHBondContact O-N 2.91Å; K223-R250 HydrophobicContact CB-CB 3.98Å; K223-R250 PolarHBondContact N-O 3.43Å; K223-R250 PolarHBondContact O-N 3.35Å
224Y92Very high80.7Confident41 Ų4194.9 Ų94.916%0.16150%0.497CS..EExtended strand (participates in β ladder)trans-88.6152.6173.6-56.5-86.6000111.7R246 E260 L263 L264Y224-R246 HydrophobicContact CD1-CG 4.39Å; Y224-E260 WeakPolarHBondContact OH-CA 3.07Å; Y224-E260 PolarHBondContact OH-N 3.19Å; Y224-E260 PolarHBondContact OH-O 2.02Å; Y224-L263 HydrophobicContact CE1-CB 4.05Å; Y224-L263 HydrophobicContact CE2-CB 4.26Å; Y224-L263 HydrophobicContact CE2-CD1 4.02Å; Y224-L263 WeakPolarHBondContact OH-CB 3.43Å; Y224-L264 HydrophobicContact CD1-CD2 3.83Å; Y224-L264 HydrophobicContact CE1-CD2 3.73Å; Y224-L264 HydrophobicContact CE1-CG 4.3Å
225D92.3Very high82.3Confident69 Ų6990.1 Ų90.137%0.36948%0.484SS..PPolyproline II helixtrans-70.8173.2168.3-78.2-40.8000111.3K247 S249D225-K247 PolarHBondContact N-O 2.91Å; D225-S249 WeakPolarHBondContact OD1-CA 3.4Å; D225-S249 WeakPolarHBondContact OD1-CB 3.34Å; D225-S249 PolarHBondContact OD1-OG 3.43Å
226Q93.6Very high83.5Confident183 Ų18391 Ų9186%0.85548%0.483SS*.PPolyproline II helixtrans-60.3151.3166.9-67.2-171-12.500110.4
227W94.4Very high84.5Confident72 Ų7285.3 Ų85.327%0.27345%0.449SS..PPolyproline II helixtrans-65.8136.5173.6-74.9104.5000111R244 S245 R246 L263 Q266W227-R244 HydrophobicContact CD2-CG 4.07Å; W227-R244 HydrophobicContact CE3-CB 4.08Å; W227-R244 HydrophobicContact CE3-CG 3.49Å; W227-R244 VanDerWaalsContact CE3-CG 3.49Å; W227-R244 HydrophobicContact CZ3-CG 3.88Å; W227-R244 WeakPolarHBondContact CZ3-O 3.47Å; W227-S245 VanDerWaalsContact CE3-C 3.47Å; W227-R246 HydrophobicContact CD2-CB 4.11Å; W227-R246 HydrophobicContact CD2-CG 4.1Å; W227-R246 HydrophobicContact CE3-CB 3.81Å; W227-R246 HydrophobicContact CE3-CG 3.87Å; W227-R246 HydrophobicContact CH2-CG 4Å; W227-R246 HydrophobicContact CZ2-CG 4.21Å; W227-R246 HydrophobicContact CZ3-CB 4.18Å; W227-R246 HydrophobicContact CZ3-CG 3.82Å; W227-L263 WeakPolarHBondContact CH2-O 3.45Å; W227-Q266 HydrophobicContact CH2-CB 3.83Å; W227-Q266 HydrophobicContact CZ2-CB 4.36Å; W227-Q266 HydrophobicContact CZ3-CB 4.19Å
228E94.2Very high85Confident91 Ų9191 Ų9143%0.42546%0.457SS..PPolyproline II helixtrans-62.9160.9165.5-66.6173.4166.600110.1S245E228-S245 VanDerWaalsContact CB-O 3.3Å; E228-S245 WeakPolarHBondContact CB-O 3.47Å; E228-S245 WeakPolarHBondContact CG-O 3.02Å; E228-S245 PolarHBondContact N-O 3.21Å; E228-S245 PolarHBondContact OE2-OG 2.82Å
229Q94.4Very high85.2Confident187 Ų18788.2 Ų88.287%0.87445%0.445SS*.PPolyproline II helixtrans-59.6145.6175.7-64.6-173.324.100110.3T231Q229-T231 PolarHBondContact O-N 3.16Å
230W93.4Very high85.8Confident67 Ų6787.4 Ų87.425%0.25444%0.438SS..PPolyproline II helixtrans-61.6137.5173.2-74.1105000110.6R242 Y243 R244 Q266 E268W230-R242 HydrophobicContact CD2-CG 4.09Å; W230-R242 HydrophobicContact CE3-CB 3.98Å; W230-R242 HydrophobicContact CE3-CG 3.54Å; W230-R242 HydrophobicContact CZ3-CG 3.94Å; W230-R242 WeakPolarHBondContact CZ3-O 3.21Å; W230-Y243 WeakPolarHBondContact CA-O 3.46Å; W230-R244 HydrophobicContact CD2-CB 3.96Å; W230-R244 HydrophobicContact CD2-CG 3.95Å; W230-R244 VanDerWaalsContact CE2-CD 3.4Å; W230-R244 HydrophobicContact CE3-CB 3.79Å; W230-R244 HydrophobicContact CE3-CG 3.79Å; W230-R244 HydrophobicContact CH2-CG 3.63Å; W230-R244 HydrophobicContact CZ2-CG 3.8Å; W230-R244 VanDerWaalsContact CZ2-CZ 3.49Å; W230-R244 HydrophobicContact CZ3-CB 4.1Å; W230-R244 HydrophobicContact CZ3-CG 3.62Å; W230-Q266 HydrophobicContact CH2-CB 4.4Å; W230-Q266 HydrophobicContact CH2-CG 4.24Å; W230-E268 HydrophobicContact CH2-CB 3.76Å; W230-E268 HydrophobicContact CZ2-CB 4.34Å; W230-E268 HydrophobicContact CZ3-CB 4.1Å
231T92.4Very high86.4Confident50 Ų5083.9 Ų83.931%0.30742%0.424SS..PPolyproline II helixtrans-60.2156.3168.563.30000110.7Q229 R242 Y243Q229-T231 PolarHBondContact O-N 3.16Å; T231-R242 WeakPolarHBondContact O-CB 3.49Å; T231-Y243 PolarHBondContact N-O 2.8Å; T231-Y243 PolarHBondContact OG1-N 2.93Å; T231-Y243 PolarHBondContact OG1-O 3.36Å
232P89.6Confident86.7Confident98 Ų9883.9 Ų83.964%0.63642%0.419SS*.PPolyproline II helixtrans-55.8153.1164.625-33.8000110.4Q234P232-Q234 PolarHBondContact O-N 3.06Å
233C87.7Confident87Confident65 Ų6587.2 Ų87.244%0.43943%0.429SS..PPolyproline II helixtrans-65.5127.3177.8-64.50000110.4L240 L241 C270C233-L240 HydrophobicContact CB-CB 4.3Å; C233-L240 HydrophobicContact CB-CD2 4.41Å; C233-L241 WeakPolarHBondContact CA-O 3.48Å; C233-C270 HydrophobicContact CB-CB 3.96Å; C233-C270 WeakPolarHBondContact CB-SG 2.99Å; C233-C270 WeakPolarHBondContact SG-CB 3.01Å; C233-C270 CovalentContact SG-SG 2.03Å; C233-C270 PolarHBondContact SG-SG 3.42Å
234Q85.6Confident87.2Confident114 Ų11483.8 Ų83.853%0.53341%0.413SS..BIsolated β-bridgetrans-128.4152.2-178.5-65.2176.229.700110.4P232 L241P232-Q234 PolarHBondContact O-N 3.06Å; Q234-L241 PolarHBondContact N-O 2.73Å; Q234-L241 PolarHBondContact O-N 3.11Å
235G80.7Confident87.3Confident54 Ų5484.2 Ų84.256%0.55742%0.422SS*.SBendtrans111.8-174.5177.400000114L240G235-L240 WeakPolarHBondContact O-CD2 3.31Å
236P73.8Confident87.3Confident58 Ų5883.1 Ų83.138%0.37741%0.412SS..  trans-71.7149.2-179.930.9-34.5000110.8Y238 K239 L240P236-Y238 HydrophobicContact CB-CD1 3.77Å; P236-Y238 HydrophobicContact CB-CE1 3.33Å; P236-Y238 HydrophobicContact CB-CE2 4.29Å; P236-Y238 HydrophobicContact CB-CG 4.42Å; P236-Y238 HydrophobicContact CG-CD1 4.22Å; P236-Y238 HydrophobicContact CG-CD2 4.24Å; P236-Y238 HydrophobicContact CG-CE1 3.67Å; P236-Y238 HydrophobicContact CG-CE2 3.69Å; P236-Y238 HydrophobicContact CG-CG 4.47Å; P236-Y238 PolarHBondContact O-N 3.43Å; P236-K239 CarbonylContact O-C 3.5Å; P236-K239 VanDerWaalsContact O-C 3.25Å; P236-K239 PolarHBondContact O-N 3.48Å; P236-L240 PolarHBondContact O-N 2.91Å
237C74.6Confident87.1Confident34 Ų3481 Ų8123%0.2340%0.401CS..THydrogen-bonded Turntrans-51.1-27.6-177.8-87.60000115.8K239 C274C237-K239 VanDerWaalsContact C-N 3.33Å; C237-C274 HydrophobicContact CB-CB 3.68Å; C237-C274 WeakPolarHBondContact CB-SG 3.43Å; C237-C274 WeakPolarHBondContact SG-CB 3.06Å; C237-C274 CovalentContact SG-SG 2.05Å; C237-C274 PolarHBondContact SG-SG 3.17Å
238Y67.9Low86.9Confident168 Ų16880 Ų8066%0.65940%0.402SS*.THydrogen-bonded Turntrans-80.6-11.7179.859.4-99.4000113.7P236P236-Y238 HydrophobicContact CB-CD1 3.77Å; P236-Y238 HydrophobicContact CB-CE1 3.33Å; P236-Y238 HydrophobicContact CB-CE2 4.29Å; P236-Y238 HydrophobicContact CB-CG 4.42Å; P236-Y238 HydrophobicContact CG-CD1 4.22Å; P236-Y238 HydrophobicContact CG-CD2 4.24Å; P236-Y238 HydrophobicContact CG-CE1 3.67Å; P236-Y238 HydrophobicContact CG-CE2 3.69Å; P236-Y238 HydrophobicContact CG-CG 4.47Å; P236-Y238 PolarHBondContact O-N 3.43Å
239K75.8Confident86.6Confident123 Ų12378.7 Ų78.754%0.53540%0.403SS..SBendtrans-15661.1-178.7-164.9179.2-177.4179.20110.4P236 C237 L241P236-K239 CarbonylContact O-C 3.5Å; P236-K239 VanDerWaalsContact O-C 3.25Å; P236-K239 PolarHBondContact O-N 3.48Å; C237-K239 VanDerWaalsContact C-N 3.33Å; K239-L241 PolarHBondContact O-N 2.95Å
240L81.5Confident86.1Confident31 Ų3174.8 Ų74.816%0.16238%0.38CS..  trans-68.8128.1172.2-74.8168.4000109.3C233 G235 P236 V269 C270C233-L240 HydrophobicContact CB-CB 4.3Å; C233-L240 HydrophobicContact CB-CD2 4.41Å; G235-L240 WeakPolarHBondContact O-CD2 3.31Å; P236-L240 PolarHBondContact O-N 2.91Å; L240-V269 CarbonylContact O-C 3.57Å; L240-V269 WeakPolarHBondContact O-CA 3.49Å; L240-C270 HydrophobicContact CB-CB 3.84Å; L240-C270 PolarHBondContact O-N 2.87Å
241L88.9Confident85.5Confident37 Ų3777.8 Ų77.819%0.19440%0.401CS..EExtended strand (participates in β ladder)trans-117.3147.7179.3-68.6171.8000110.3C233 Q234 K239 Y243 E268 V269C233-L241 WeakPolarHBondContact CA-O 3.48Å; Q234-L241 PolarHBondContact N-O 2.73Å; Q234-L241 PolarHBondContact O-N 3.11Å; K239-L241 PolarHBondContact O-N 2.95Å; L241-Y243 HydrophobicContact CB-CE2 4.2Å; L241-E268 WeakPolarHBondContact CA-O 3.42Å; L241-V269 HydrophobicContact CD2-CG2 4.02Å
242R91.8Very high84.7Confident68 Ų6877.2 Ų77.226%0.25740%0.398SS..EExtended strand (participates in β ladder)trans-125.7152.7165.459.4178-171-173.3-1.3109.7W230 T231 S267 E268W230-R242 HydrophobicContact CD2-CG 4.09Å; W230-R242 HydrophobicContact CE3-CB 3.98Å; W230-R242 HydrophobicContact CE3-CG 3.54Å; W230-R242 HydrophobicContact CZ3-CG 3.94Å; W230-R242 WeakPolarHBondContact CZ3-O 3.21Å; T231-R242 WeakPolarHBondContact O-CB 3.49Å; R242-S267 WeakPolarHBondContact O-CA 3.35Å; R242-E268 HydrophobicContact CG-CB 4.18Å; R242-E268 IonicContact CZ-OE2 2.81Å; R242-E268 VanDerWaalsContact CZ-OE2 3.26Å; R242-E268 PolarHBondContact N-O 2.93Å; R242-E268 IonicContact NE-OE2 3.16Å; R242-E268 PolarHBondContact NE-OE2 2.84Å; R242-E268 IonicContact NH2-OE1 3.1Å; R242-E268 IonicContact NH2-OE2 2.95Å; R242-E268 PolarHBondContact NH2-OE2 3.17Å; R242-E268 PolarHBondContact O-N 3.25Å
243Y92.8Very high83.9Confident90 Ų9074.4 Ų74.435%0.35338%0.377SS..EExtended strand (participates in β ladder)trans-125.9151.7-177-53.1-87.1000110.4W230 T231 L241 Q266W230-Y243 WeakPolarHBondContact CA-O 3.46Å; T231-Y243 PolarHBondContact N-O 2.8Å; T231-Y243 PolarHBondContact OG1-N 2.93Å; T231-Y243 PolarHBondContact OG1-O 3.36Å; L241-Y243 HydrophobicContact CB-CE2 4.2Å; Y243-Q266 WeakPolarHBondContact CA-O 3.5Å
244R94.1Very high82.7Confident60 Ų6075.6 Ų75.623%0.22638%0.384CS..EExtended strand (participates in β ladder)trans-141.7149.8165.661.7175.9-179.7-171.90.3109.8W227 W230 Q265 Q266W227-R244 HydrophobicContact CD2-CG 4.07Å; W227-R244 HydrophobicContact CE3-CB 4.08Å; W227-R244 HydrophobicContact CE3-CG 3.49Å; W227-R244 VanDerWaalsContact CE3-CG 3.49Å; W227-R244 HydrophobicContact CZ3-CG 3.88Å; W227-R244 WeakPolarHBondContact CZ3-O 3.47Å; W230-R244 HydrophobicContact CD2-CB 3.96Å; W230-R244 HydrophobicContact CD2-CG 3.95Å; W230-R244 VanDerWaalsContact CE2-CD 3.4Å; W230-R244 HydrophobicContact CE3-CB 3.79Å; W230-R244 HydrophobicContact CE3-CG 3.79Å; W230-R244 HydrophobicContact CH2-CG 3.63Å; W230-R244 HydrophobicContact CZ2-CG 3.8Å; W230-R244 VanDerWaalsContact CZ2-CZ 3.49Å; W230-R244 HydrophobicContact CZ3-CB 4.1Å; W230-R244 HydrophobicContact CZ3-CG 3.62Å; R244-Q265 WeakPolarHBondContact O-CA 3.49Å; R244-Q266 HydrophobicContact CG-CB 4.13Å; R244-Q266 VanDerWaalsContact CZ-OE1 3.26Å; R244-Q266 PolarHBondContact N-O 3.01Å; R244-Q266 PolarHBondContact O-N 2.81Å
245S93.5Very high81.9Confident49 Ų4972.6 Ų72.634%0.34338%0.384SS..EExtended strand (participates in β ladder)trans-122.4157.2176.627.30000110.5W227 E228 L264W227-S245 VanDerWaalsContact CE3-C 3.47Å; E228-S245 VanDerWaalsContact CB-O 3.3Å; E228-S245 WeakPolarHBondContact CB-O 3.47Å; E228-S245 WeakPolarHBondContact CG-O 3.02Å; E228-S245 PolarHBondContact N-O 3.21Å; E228-S245 PolarHBondContact OE2-OG 2.82Å; S245-L264 CarbonylContact C-O 3.51Å; S245-L264 WeakPolarHBondContact CA-O 3.5Å
246R93.1Very high81.7Confident46 Ų4670.5 Ų70.517%0.17436%0.363CS..  trans-141.2154.3166.565.6-176.5176.2172.8-4109.4Y224 W227 L263 L264Y224-R246 HydrophobicContact CD1-CG 4.39Å; W227-R246 HydrophobicContact CD2-CB 4.11Å; W227-R246 HydrophobicContact CD2-CG 4.1Å; W227-R246 HydrophobicContact CE3-CB 3.81Å; W227-R246 HydrophobicContact CE3-CG 3.87Å; W227-R246 HydrophobicContact CH2-CG 4Å; W227-R246 HydrophobicContact CZ2-CG 4.21Å; W227-R246 HydrophobicContact CZ3-CB 4.18Å; W227-R246 HydrophobicContact CZ3-CG 3.82Å; R246-L263 PolarHBondContact NE-O 3.34Å; R246-L263 PolarHBondContact NH2-O 3.48Å; R246-L264 PolarHBondContact N-O 3.01Å; R246-L264 WeakPolarHBondContact O-CD2 3.05Å
247K89.5Confident81.9Confident140 Ų14075 Ų7561%0.60938%0.376SS*.  trans-99.5169178.5-63.4177.9-172.8173.80110.4D225D225-K247 PolarHBondContact N-O 2.91Å
248V90.6Very high82.3Confident50 Ų5079.9 Ų79.930%0.30340%0.4SS..EExtended strand (participates in β ladder)trans-81117172.1177.70000108.2R250 L251 C259 L264V248-R250 VanDerWaalsContact CG1-O 3.28Å; V248-R250 WeakPolarHBondContact CG1-O 3.39Å; V248-L251 HydrophobicContact CG1-CD2 4.18Å; V248-C259 VanDerWaalsContact CG1-SG 3.58Å; V248-C259 HydrophobicContact CG2-CB 4.18Å; V248-L264 HydrophobicContact CG2-CD2 3.85Å
249S87Confident83.2Confident64 Ų6473.7 Ų73.745%0.44838%0.381SS..EExtended strand (participates in β ladder)trans-75.7-36.2176.9-1590000111.6K223 D225K223-S249 WeakPolarHBondContact O-CA 3.4Å; K223-S249 WeakPolarHBondContact O-CB 3.36Å; K223-S249 PolarHBondContact O-N 2.91Å; D225-S249 WeakPolarHBondContact OD1-CA 3.4Å; D225-S249 WeakPolarHBondContact OD1-CB 3.34Å; D225-S249 PolarHBondContact OD1-OG 3.43Å
250R82.9Confident83.8Confident105 Ų10573.1 Ų73.140%0.39638%0.38SS..EExtended strand (participates in β ladder)trans-145.8126.5-179.8-172.6-150.5-91.2-84.2-18.3109.9C222 K223 V248 D253C222-R250 WeakPolarHBondContact CA-O 3.3Å; K223-R250 HydrophobicContact CB-CB 3.98Å; K223-R250 PolarHBondContact N-O 3.43Å; K223-R250 PolarHBondContact O-N 3.35Å; V248-R250 VanDerWaalsContact CG1-O 3.28Å; V248-R250 WeakPolarHBondContact CG1-O 3.39Å; R250-D253 IonicContact NH1-OD1 3.88Å
251L82.6Confident84Confident130 Ų13075.4 Ų75.468%0.68140%0.403SS*.PPolyproline II helixtrans-66.8148.3167.3-65.5171.8000110.7V248V248-L251 HydrophobicContact CG1-CD2 4.18Å
252P74.8Confident83.8Confident37 Ų3777.2 Ų77.224%0.2442%0.419CS..PPolyproline II helixtrans-62.9143.7178.729.9-37.4000111.1C222 K257C222-P252 HydrophobicContact CB-CB 4.37Å; P252-K257 WeakPolarHBondContact CB-O 3.17Å
253D72.6Confident83.6Confident40 Ų4077.2 Ų77.221%0.21442%0.424CS..PPolyproline II helixtrans-67.7154.3164.2-61.7-17.5000108.7K220 R250 G255 G256K220-D253 VanDerWaalsContact CB-OD2 3.23Å; K220-D253 WeakPolarHBondContact CB-OD2 3.44Å; K220-D253 WeakPolarHBondContact CG-OD2 3.43Å; K220-D253 PolarHBondContact N-OD2 3.02Å; K220-D253 PolarHBondContact O-N 3.15Å; R250-D253 IonicContact NH1-OD1 3.88Å; D253-G255 PolarHBondContact O-N 2.83Å; D253-G256 WeakPolarHBondContact O-CA 2.97Å; D253-G256 PolarHBondContact O-N 2.76Å
254P63.7Low83.4Confident89 Ų8975.6 Ų75.658%0.57842%0.421SS*.THydrogen-bonded Turntrans-51.3125.6169.9-26.735.8000111.2L209L209-P254 HydrophobicContact CD1-CB 3.75Å
255G67.4Low83.2Confident51 Ų5178.8 Ų78.853%0.52644%0.438SS..THydrogen-bonded Turntrans84.1-2.7-171.800000116.7E207 D253E207-G255 PolarHBondContact OE2-N 3.46Å; D253-G255 PolarHBondContact O-N 2.83Å
256G76Confident83.1Confident11 Ų1180.4 Ų80.411%0.11344%0.441CS..SBendtrans-84.2166.9170.900000112.9D221 D253 N258D221-G256 WeakPolarHBondContact OD1-CA 3.4Å; D253-G256 WeakPolarHBondContact O-CA 2.97Å; D253-G256 PolarHBondContact O-N 2.76Å; G256-N258 PolarHBondContact O-N 2.03Å
257K78.5Confident82.9Confident153 Ų15381.7 Ų81.767%0.66546%0.457SS*.PPolyproline II helixtrans-70.4127.6175.6-65.7179.6-179.2179.60111.8D221 C222 P252D221-K257 HydrophobicContact CB-CB 4.04Å; D221-K257 PolarHBondContact OD1-N 3.31Å; C222-K257 WeakPolarHBondContact CB-O 3.37Å; C222-K257 PolarHBondContact N-O 2.91Å; P252-K257 WeakPolarHBondContact CB-O 3.17Å
258N84.4Confident82.8Confident135 Ų13578.9 Ų78.972%0.72245%0.446SS*.PPolyproline II helixtrans-62.6153.5175.9-70.633.8000112.6G256 E260G256-N258 PolarHBondContact O-N 2.03Å; N258-E260 PolarHBondContact O-N 3.47Å
259C86.4Confident82.5Confident38 Ų3880.7 Ų80.726%0.25746%0.457SS..PPolyproline II helixtrans-68.3123.7173-49.30000110C222 V248C222-C259 HydrophobicContact CB-CB 3.88Å; C222-C259 WeakPolarHBondContact CB-SG 3.11Å; C222-C259 WeakPolarHBondContact SG-CA 3.2Å; C222-C259 WeakPolarHBondContact SG-CB 3.21Å; C222-C259 CovalentContact SG-SG 2.01Å; C222-C259 PolarHBondContact SG-SG 2.9Å; V248-C259 VanDerWaalsContact CG1-SG 3.58Å; V248-C259 HydrophobicContact CG2-CB 4.18Å
260E88.4Confident82.4Confident112 Ų11278.1 Ų78.152%0.52344%0.438SS..PPolyproline II helixtrans-77.1127.5170.9-159.5-177.9162.700110.3Y224 N258 S262 L263Y224-E260 WeakPolarHBondContact OH-CA 3.07Å; Y224-E260 PolarHBondContact OH-N 3.19Å; Y224-E260 PolarHBondContact OH-O 2.02Å; N258-E260 PolarHBondContact O-N 3.47Å; E260-S262 VanDerWaalsContact C-N 3.33Å; E260-S262 VanDerWaalsContact CG-OG 3.23Å; E260-S262 WeakPolarHBondContact CG-OG 3.42Å; E260-S262 PolarHBondContact OE1-OG 3.34Å; E260-L263 HydrophobicContact CB-CB 4.41Å; E260-L263 HydrophobicContact CB-CD1 4.07Å; E260-L263 HydrophobicContact CB-CG 4.13Å; E260-L263 PolarHBondContact O-N 3.3Å
261A84.9Confident82.1Confident79 Ų7979 Ų7965%0.65346%0.457SS*.G310 helixtrans-68.4-32.3-179.500000112.6L263 L264A261-L263 PolarHBondContact O-N 3.39Å; A261-L263 VanDerWaalsContact O-N 3.12Å; A261-L264 WeakPolarHBondContact O-CB 3.39Å; A261-L264 PolarHBondContact O-N 2.05Å; A261-L264 VanDerWaalsContact O-N 3.13Å
262S85.3Confident81.7Confident74 Ų7475 Ų7552%0.51744%0.44SS..G310 helixtrans-59.4-23.9177.968.80000112.9E260E260-S262 VanDerWaalsContact C-N 3.33Å; E260-S262 VanDerWaalsContact CG-OG 3.23Å; E260-S262 WeakPolarHBondContact CG-OG 3.42Å; E260-S262 PolarHBondContact OE1-OG 3.34Å
263L86.3Confident81.7Confident68 Ų6878.2 Ų78.236%0.35646%0.456SS..G310 helixtrans-91.31-176.8-71.8-173.8000113.6Y224 W227 R246 E260 A261Y224-L263 HydrophobicContact CE1-CB 4.05Å; Y224-L263 HydrophobicContact CE2-CB 4.26Å; Y224-L263 HydrophobicContact CE2-CD1 4.02Å; Y224-L263 WeakPolarHBondContact OH-CB 3.43Å; W227-L263 WeakPolarHBondContact CH2-O 3.45Å; R246-L263 PolarHBondContact NE-O 3.34Å; R246-L263 PolarHBondContact NH2-O 3.48Å; E260-L263 HydrophobicContact CB-CB 4.41Å; E260-L263 HydrophobicContact CB-CD1 4.07Å; E260-L263 HydrophobicContact CB-CG 4.13Å; E260-L263 PolarHBondContact O-N 3.3Å; A261-L263 PolarHBondContact O-N 3.39Å; A261-L263 VanDerWaalsContact O-N 3.12Å
264L88.6Confident82Confident56 Ų5677.5 Ų77.529%0.29345%0.454SS..SBendtrans-85.1-21178.2-66.6172.5000113.2Y224 S245 R246 V248 A261Y224-L264 HydrophobicContact CD1-CD2 3.83Å; Y224-L264 HydrophobicContact CE1-CD2 3.73Å; Y224-L264 HydrophobicContact CE1-CG 4.3Å; S245-L264 CarbonylContact C-O 3.51Å; S245-L264 WeakPolarHBondContact CA-O 3.5Å; R246-L264 PolarHBondContact N-O 3.01Å; R246-L264 WeakPolarHBondContact O-CD2 3.05Å; V248-L264 HydrophobicContact CG2-CD2 3.85Å; A261-L264 WeakPolarHBondContact O-CB 3.39Å; A261-L264 PolarHBondContact O-N 2.05Å; A261-L264 VanDerWaalsContact O-N 3.13Å
265Q90.5Very high82.9Confident127 Ų12775.5 Ų75.559%0.59344%0.436SS*.EExtended strand (participates in β ladder)trans-139.4142.7-178.9-168.5177.3700110.4R244R244-Q265 WeakPolarHBondContact O-CA 3.49Å
266Q90.8Very high83.7Confident84 Ų8476.3 Ų76.339%0.39343%0.426SS..EExtended strand (participates in β ladder)trans-135.8147176.2-168.2176.619.200110.6W227 W230 Y243 R244W227-Q266 HydrophobicContact CH2-CB 3.83Å; W227-Q266 HydrophobicContact CZ2-CB 4.36Å; W227-Q266 HydrophobicContact CZ3-CB 4.19Å; W230-Q266 HydrophobicContact CH2-CB 4.4Å; W230-Q266 HydrophobicContact CH2-CG 4.24Å; Y243-Q266 WeakPolarHBondContact CA-O 3.5Å; R244-Q266 HydrophobicContact CG-CB 4.13Å; R244-Q266 VanDerWaalsContact CZ-OE1 3.26Å; R244-Q266 PolarHBondContact N-O 3.01Å; R244-Q266 PolarHBondContact O-N 2.81Å
267S89.9Confident84.2Confident73 Ų7380.7 Ų80.751%0.5144%0.444SS..EExtended strand (participates in β ladder)trans-121.3151.4173.260.20000111.1R242R242-S267 WeakPolarHBondContact O-CA 3.35Å
268E88.2Confident84.6Confident81 Ų8179.8 Ų79.838%0.37944%0.44SS..EExtended strand (participates in β ladder)trans-143.9146.5176.2-168-176.5-177.400110.4W230 L241 R242W230-E268 HydrophobicContact CH2-CB 3.76Å; W230-E268 HydrophobicContact CZ2-CB 4.34Å; W230-E268 HydrophobicContact CZ3-CB 4.1Å; L241-E268 WeakPolarHBondContact CA-O 3.42Å; R242-E268 HydrophobicContact CG-CB 4.18Å; R242-E268 IonicContact CZ-OE2 2.81Å; R242-E268 VanDerWaalsContact CZ-OE2 3.26Å; R242-E268 PolarHBondContact N-O 2.93Å; R242-E268 IonicContact NE-OE2 3.16Å; R242-E268 PolarHBondContact NE-OE2 2.84Å; R242-E268 IonicContact NH2-OE1 3.1Å; R242-E268 IonicContact NH2-OE2 2.95Å; R242-E268 PolarHBondContact NH2-OE2 3.17Å; R242-E268 PolarHBondContact O-N 3.25Å
269V84.5Confident84.8Confident88 Ų8874.1 Ų74.153%0.53341%0.409SS..EExtended strand (participates in β ladder)trans-78.3127.2172.6-176.10000109.1L240 L241L240-V269 CarbonylContact O-C 3.57Å; L240-V269 WeakPolarHBondContact O-CA 3.49Å; L241-V269 HydrophobicContact CD2-CG2 4.02Å
270C83.8Confident85Confident9 Ų974.5 Ų74.56%0.06141%0.409CS..  trans-71.2134.1178-660000111.2C233 L240 S272C233-C270 HydrophobicContact CB-CB 3.96Å; C233-C270 WeakPolarHBondContact CB-SG 2.99Å; C233-C270 WeakPolarHBondContact SG-CB 3.01Å; C233-C270 CovalentContact SG-SG 2.03Å; C233-C270 PolarHBondContact SG-SG 3.42Å; L240-C270 HydrophobicContact CB-CB 3.84Å; L240-C270 PolarHBondContact O-N 2.87Å; C270-S272 PolarHBondContact O-N 3.46Å
271P76.7Confident85.1Confident123 Ų12371.3 Ų71.380%0.79940%0.402SS*.  trans-66.9105167.925.7-29.6000108.3
272S74.5Confident85.4Confident46 Ų4671 Ų7132%0.32239%0.386SS..  trans-132.5135.7174.975.80000110.4C270 C274C270-S272 PolarHBondContact O-N 3.46Å; S272-C274 VanDerWaalsContact C-N 3.27Å
273N74Confident85.8Confident105 Ų10568 Ų6856%0.56137%0.365SS*.SBendtrans-82.9-4.117266.5-23.6000112.3F275 Q276 E277N273-F275 PolarHBondContact O-N 2.81Å; N273-F275 VanDerWaalsContact O-N 3.11Å; N273-Q276 WeakPolarHBondContact O-CA 3.42Å; N273-Q276 WeakPolarHBondContact O-CB 2.96Å; N273-Q276 PolarHBondContact O-N 3.32Å; N273-E277 PolarHBondContact ND2-OE1 2.91Å; N273-E277 WeakPolarHBondContact O-CG 3.26Å; N273-E277 PolarHBondContact O-N 3.3Å
274C79.4Confident86Confident25 Ų2568.1 Ų68.117%0.16938%0.376CS..Hα-helixtrans-53.1-37.9-178.3-176.70000112.2C237 S272 E277 K278C237-C274 HydrophobicContact CB-CB 3.68Å; C237-C274 WeakPolarHBondContact CB-SG 3.43Å; C237-C274 WeakPolarHBondContact SG-CB 3.06Å; C237-C274 CovalentContact SG-SG 2.05Å; C237-C274 PolarHBondContact SG-SG 3.17Å; S272-C274 VanDerWaalsContact C-N 3.27Å; C274-E277 PolarHBondContact O-N 2.93Å; C274-K278 PolarHBondContact O-N 3.35Å
275F81.6Confident86.2Confident48 Ų4873.1 Ų73.121%0.21140%0.397CS..Hα-helixtrans-61.5-48.4176.6-177.5-112.9000112N273 E277 K278 L279 V295 V313N273-F275 PolarHBondContact O-N 2.81Å; N273-F275 VanDerWaalsContact O-N 3.11Å; F275-E277 VanDerWaalsContact C-N 3.35Å; F275-E277 PolarHBondContact O-N 2.77Å; F275-K278 PolarHBondContact O-N 3.4Å; F275-L279 HydrophobicContact CD1-CD1 4.19Å; F275-L279 HydrophobicContact CE1-CD1 3.63Å; F275-L279 HydrophobicContact CE2-CD1 4.27Å; F275-L279 HydrophobicContact CZ-CD1 3.67Å; F275-L279 HydrophobicContact CZ-CG 4.38Å; F275-L279 WeakPolarHBondContact O-CG 3.49Å; F275-L279 PolarHBondContact O-N 2.9Å; F275-V295 HydrophobicContact CE2-CG1 3.48Å; F275-V295 VanDerWaalsContact CE2-CG1 3.48Å; F275-V295 HydrophobicContact CZ-CB 4.3Å; F275-V295 HydrophobicContact CZ-CG1 3.45Å; F275-V295 VanDerWaalsContact CZ-CG1 3.45Å; F275-V295 HydrophobicContact CZ-CG2 3.81Å; F275-V313 HydrophobicContact CE1-CG1 4.15Å; F275-V313 HydrophobicContact CE1-CG2 3.97Å
276Q84.5Confident86.3Confident68 Ų6876.6 Ų76.632%0.31841%0.405SS..Hα-helixtrans-64.2-39.2177.8-17163.648.800111.8N273 L279 N280 A311N273-Q276 WeakPolarHBondContact O-CA 3.42Å; N273-Q276 WeakPolarHBondContact O-CB 2.96Å; N273-Q276 PolarHBondContact O-N 3.32Å; Q276-L279 PolarHBondContact O-N 2.85Å; Q276-N280 PolarHBondContact NE2-OD1 2.67Å; Q276-N280 WeakPolarHBondContact O-CB 3.46Å; Q276-N280 PolarHBondContact O-N 3.1Å; Q276-N280 PolarHBondContact O-ND2 2.9Å; Q276-N280 PolarHBondContact O-OD1 2.03Å; Q276-A311 PolarHBondContact NE2-O 2.63Å
277E86.4Confident86.1Confident103 Ų10373.5 Ų73.548%0.48140%0.396SS..Hα-helixtrans-62.6-44.4177.5-71.6176.117100112.4N273 C274 F275 L279 N280 A281N273-E277 PolarHBondContact ND2-OE1 2.91Å; N273-E277 WeakPolarHBondContact O-CG 3.26Å; N273-E277 PolarHBondContact O-N 3.3Å; C274-E277 PolarHBondContact O-N 2.93Å; F275-E277 VanDerWaalsContact C-N 3.35Å; F275-E277 PolarHBondContact O-N 2.77Å; E277-L279 VanDerWaalsContact C-N 3.33Å; E277-L279 PolarHBondContact O-N 2.67Å; E277-N280 PolarHBondContact O-N 2.87Å; E277-A281 WeakPolarHBondContact O-CB 3.37Å; E277-A281 PolarHBondContact O-N 3Å
278K86.9Confident86.2Confident134 Ų13476.3 Ų76.358%0.58340%0.401SS*.Hα-helixtrans-62.7-39.4176.9-76.9-173.4178.3-172.20112.4C274 F275 A281 F282C274-K278 PolarHBondContact O-N 3.35Å; F275-K278 PolarHBondContact O-N 3.4Å; K278-A281 PolarHBondContact O-N 3.48Å; K278-F282 PolarHBondContact O-N 3.04Å
279L89.1Confident86.4Confident15 Ų1577.2 Ų77.28%0.07941%0.411CS..Hα-helixtrans-70-41.1177.1-64-179000112F275 Q276 E277 A281 F282 C283 F303 A311 V313F275-L279 HydrophobicContact CD1-CD1 4.19Å; F275-L279 HydrophobicContact CE1-CD1 3.63Å; F275-L279 HydrophobicContact CE2-CD1 4.27Å; F275-L279 HydrophobicContact CZ-CD1 3.67Å; F275-L279 HydrophobicContact CZ-CG 4.38Å; F275-L279 WeakPolarHBondContact O-CG 3.49Å; F275-L279 PolarHBondContact O-N 2.9Å; Q276-L279 PolarHBondContact O-N 2.85Å; E277-L279 VanDerWaalsContact C-N 3.33Å; E277-L279 PolarHBondContact O-N 2.67Å; L279-A281 VanDerWaalsContact C-N 3.33Å; L279-A281 PolarHBondContact O-N 2.89Å; L279-F282 WeakPolarHBondContact O-CB 3.01Å; L279-F282 PolarHBondContact O-N 3.01Å; L279-C283 PolarHBondContact O-N 3.01Å; L279-F303 HydrophobicContact CD1-CB 4.3Å; L279-F303 HydrophobicContact CD1-CD1 4.25Å; L279-F303 HydrophobicContact CD1-CG 4.15Å; L279-F303 HydrophobicContact CD2-CD1 3.71Å; L279-F303 HydrophobicContact CD2-CD2 4.33Å; L279-F303 HydrophobicContact CD2-CE1 3.49Å; L279-F303 VanDerWaalsContact CD2-CE1 3.49Å; L279-F303 HydrophobicContact CD2-CE2 4.13Å; L279-F303 HydrophobicContact CD2-CG 4.13Å; L279-F303 HydrophobicContact CD2-CZ 3.7Å; L279-A311 HydrophobicContact CB-CB 3.48Å; L279-A311 VanDerWaalsContact CB-CB 3.48Å; L279-A311 HydrophobicContact CD1-CB 4.48Å; L279-V313 HydrophobicContact CD1-CG2 3.42Å; L279-V313 VanDerWaalsContact CD1-CG2 3.42Å
280N90.2Very high86.6Confident46 Ų4675.3 Ų75.325%0.24641%0.41CS..Hα-helixtrans-60-44.1173.3-67.8-12.8000110.9Q276 E277 F282 C283 A284 G309 A311Q276-N280 PolarHBondContact NE2-OD1 2.67Å; Q276-N280 WeakPolarHBondContact O-CB 3.46Å; Q276-N280 PolarHBondContact O-N 3.1Å; Q276-N280 PolarHBondContact O-ND2 2.9Å; Q276-N280 PolarHBondContact O-OD1 2.03Å; E277-N280 PolarHBondContact O-N 2.87Å; N280-F282 VanDerWaalsContact C-N 3.33Å; N280-F282 PolarHBondContact O-N 2.88Å; N280-C283 PolarHBondContact O-N 2.04Å; N280-A284 WeakPolarHBondContact O-CB 3.06Å; N280-A284 PolarHBondContact O-N 3.46Å; N280-G309 CarbonylContact C-O 3.54Å; N280-G309 WeakPolarHBondContact CA-O 3Å; N280-A311 PolarHBondContact OD1-N 3.04Å
281A90.3Very high86.9Confident46 Ų4678.8 Ų78.838%0.3843%0.425SS..Hα-helixtrans-59.9-41.817600000112.2E277 K278 L279 A284 Q285E277-A281 WeakPolarHBondContact O-CB 3.37Å; E277-A281 PolarHBondContact O-N 3Å; K278-A281 PolarHBondContact O-N 3.48Å; L279-A281 VanDerWaalsContact C-N 3.33Å; L279-A281 PolarHBondContact O-N 2.89Å; A281-A284 PolarHBondContact O-N 2.96Å; A281-Q285 WeakPolarHBondContact O-CB 3.05Å; A281-Q285 WeakPolarHBondContact O-CG 3.37Å; A281-Q285 PolarHBondContact O-N 3.18Å; A281-Q285 VanDerWaalsContact O-N 3.12Å
282F91.7Very high87.7Confident72 Ų7275.5 Ų75.532%0.31640%0.4SS..Hα-helixtrans-61.5-48.1173.4176.2-91.1000111.8K278 L279 N280 A284 Q285 R286 G287 Y293 F303K278-F282 PolarHBondContact O-N 3.04Å; L279-F282 WeakPolarHBondContact O-CB 3.01Å; L279-F282 PolarHBondContact O-N 3.01Å; N280-F282 VanDerWaalsContact C-N 3.33Å; N280-F282 PolarHBondContact O-N 2.88Å; F282-A284 VanDerWaalsContact C-N 3.3Å; F282-A284 PolarHBondContact O-N 3.07Å; F282-Q285 PolarHBondContact O-N 2.95Å; F282-R286 HydrophobicContact CD2-CB 4.23Å; F282-R286 HydrophobicContact CE2-CB 4.05Å; F282-R286 PolarHBondContact O-N 3.48Å; F282-G287 PolarHBondContact O-N 2.9Å; F282-Y293 AromaticContact CE1-CD1 3.98Å; F282-Y293 HydrophobicContact CE1-CD1 3.98Å; F282-Y293 AromaticContact CE1-CD2 3.8Å; F282-Y293 HydrophobicContact CE1-CD2 3.8Å; F282-Y293 HydrophobicContact CE1-CE1 4.08Å; F282-Y293 AromaticContact CE1-CE2 3.88Å; F282-Y293 HydrophobicContact CE1-CE2 3.88Å; F282-Y293 AromaticContact CE1-CG 3.83Å; F282-Y293 HydrophobicContact CE1-CG 3.83Å; F282-Y293 HydrophobicContact CZ-CD1 4.05Å; F282-Y293 HydrophobicContact CZ-CE1 4.09Å; F282-Y293 HydrophobicContact CZ-CG 4.34Å; F282-F303 AromaticContact CD1-CE2 3.72Å; F282-F303 HydrophobicContact CD1-CE2 3.72Å; F282-F303 AromaticContact CD1-CZ 3.67Å; F282-F303 HydrophobicContact CD1-CZ 3.67Å; F282-F303 HydrophobicContact CE1-CE2 4.12Å; F282-F303 AromaticContact CE1-CZ 3.93Å; F282-F303 HydrophobicContact CE1-CZ 3.93Å; F282-F303 HydrophobicContact CG-CZ 4.41Å
283C92.9Very high88.5Confident11 Ų1175 Ų757%0.07439%0.392CS..Hα-helixtrans-65.4-30.1178.7-69.90000113.6L279 N280 C305L279-C283 PolarHBondContact O-N 3.01Å; N280-C283 PolarHBondContact O-N 2.04Å; C283-C305 WeakPolarHBondContact CA-SG 3.41Å; C283-C305 HydrophobicContact CB-CB 3.69Å; C283-C305 WeakPolarHBondContact CB-SG 3.36Å; C283-C305 WeakPolarHBondContact SG-CA 3.45Å; C283-C305 WeakPolarHBondContact SG-CB 3.28Å; C283-C305 CovalentContact SG-SG 2.04Å; C283-C305 PolarHBondContact SG-SG 2.86Å
284A91.9Very high89.2Confident71 Ų7171.7 Ų71.759%0.58738%0.379SS*.Hα-helixtrans-75.2-31.717700000113N280 A281 F282N280-A284 WeakPolarHBondContact O-CB 3.06Å; N280-A284 PolarHBondContact O-N 3.46Å; A281-A284 PolarHBondContact O-N 2.96Å; F282-A284 VanDerWaalsContact C-N 3.3Å; F282-A284 PolarHBondContact O-N 3.07Å
285Q91.9Very high89.5Confident160 Ų16072.7 Ų72.775%0.74838%0.384SS*.Hα-helixtrans-103.8-41.6-173.3-66.5-175.6-6.700114.5A281 F282A281-Q285 WeakPolarHBondContact O-CB 3.05Å; A281-Q285 WeakPolarHBondContact O-CG 3.37Å; A281-Q285 PolarHBondContact O-N 3.18Å; A281-Q285 VanDerWaalsContact O-N 3.12Å; F282-Q285 PolarHBondContact O-N 2.95Å
286R92Very high89.6Confident201 Ų20172.2 Ų72.276%0.75839%0.393SS*.THydrogen-bonded Turntrans-128-20.3-168.4-65.1-174.7179.2-175.7-1.2114.2F282F282-R286 HydrophobicContact CD2-CB 4.23Å; F282-R286 HydrophobicContact CE2-CB 4.05Å; F282-R286 PolarHBondContact O-N 3.48Å
287G87.8Confident89.4Confident19 Ų1976.4 Ų76.420%0.19641%0.412CS..PPolyproline II helixtrans-78.1145.8-177.200000113.4F282F282-G287 PolarHBondContact O-N 2.9Å
288Q92.4Very high89.3Confident131 Ų13172.4 Ų72.461%0.61240%0.396SS*.PPolyproline II helixtrans-94.6134.3171.1-63.9-176.8-12.600109.8G290 Q291 Y293 C305Q288-G290 PolarHBondContact O-N 3.13Å; Q288-Q291 HydrophobicContact CB-CB 4.09Å; Q288-Q291 PolarHBondContact O-N 3.38Å; Q288-Q291 VanDerWaalsContact O-N 3.16Å; Q288-Q291 VanDerWaalsContact OE1-OE1 3.12Å; Q288-Y293 PolarHBondContact N-OH 2.94Å; Q288-C305 WeakPolarHBondContact O-CB 3Å
289V91.4Very high89.2Confident100 Ų10067.5 Ų67.561%0.60638%0.377SS*.THydrogen-bonded Turntrans-62.4128.4178.3177.60000109.9Q291 C305 P307V289-Q291 VanDerWaalsContact C-N 3.33Å; V289-C305 WeakPolarHBondContact CA-O 3.4Å; V289-P307 HydrophobicContact CG1-CG 3.78Å
290G89.1Confident89.2Confident48 Ų4869.4 Ų69.450%0.49539%0.385SS..THydrogen-bonded Turntrans88.6-11.3-178.800000115Q288 C305Q288-G290 PolarHBondContact O-N 3.13Å; G290-C305 PolarHBondContact N-O 3.12Å
291Q91.1Very high89.2Confident83 Ų8371.1 Ų71.139%0.38839%0.39SS..  trans-83.1142.3177-168.2174.211.800111.4Q288 V289 Y293 I304 C305Q288-Q291 HydrophobicContact CB-CB 4.09Å; Q288-Q291 PolarHBondContact O-N 3.38Å; Q288-Q291 VanDerWaalsContact O-N 3.16Å; Q288-Q291 VanDerWaalsContact OE1-OE1 3.12Å; V289-Q291 VanDerWaalsContact C-N 3.33Å; Q291-Y293 HydrophobicContact CB-CE2 3.88Å; Q291-Y293 HydrophobicContact CG-CE1 4.06Å; Q291-Y293 HydrophobicContact CG-CE2 4.18Å; Q291-Y293 WeakPolarHBondContact O-CE2 3.45Å; Q291-Y293 PolarHBondContact OE1-OH 2.61Å; Q291-I304 WeakPolarHBondContact O-CA 3.4Å; Q291-C305 PolarHBondContact O-N 2.76Å
292I91.9Very high89.2Confident53 Ų5371.6 Ų71.627%0.27238%0.383SS..EExtended strand (participates in β ladder)trans-97.5132.5178.9-48.7176.5000109.6Y302 F303 I304 F322I292-Y302 HydrophobicContact CG2-CD2 3.4Å; I292-Y302 HydrophobicContact CG2-CE2 4.11Å; I292-Y302 HydrophobicContact CG2-CG 4.14Å; I292-F303 WeakPolarHBondContact CA-O 3.33Å; I292-I304 HydrophobicContact CG1-CD1 4.42Å; I292-F322 HydrophobicContact CB-CZ 4.09Å; I292-F322 HydrophobicContact CG2-CE1 4.38Å; I292-F322 HydrophobicContact CG2-CE2 3.61Å; I292-F322 HydrophobicContact CG2-CZ 3.41Å; I292-F322 VanDerWaalsContact CG2-CZ 3.41Å
293Y91.2Very high89.3Confident37 Ų3768.4 Ų68.415%0.14537%0.369CS..EExtended strand (participates in β ladder)trans-124.5146.1-178.5-59.6-78.8000111.4F282 Q288 Q291 Y302 F303 C305F282-Y293 AromaticContact CE1-CD1 3.98Å; F282-Y293 HydrophobicContact CE1-CD1 3.98Å; F282-Y293 AromaticContact CE1-CD2 3.8Å; F282-Y293 HydrophobicContact CE1-CD2 3.8Å; F282-Y293 HydrophobicContact CE1-CE1 4.08Å; F282-Y293 AromaticContact CE1-CE2 3.88Å; F282-Y293 HydrophobicContact CE1-CE2 3.88Å; F282-Y293 AromaticContact CE1-CG 3.83Å; F282-Y293 HydrophobicContact CE1-CG 3.83Å; F282-Y293 HydrophobicContact CZ-CD1 4.05Å; F282-Y293 HydrophobicContact CZ-CE1 4.09Å; F282-Y293 HydrophobicContact CZ-CG 4.34Å; Q288-Y293 PolarHBondContact N-OH 2.94Å; Q291-Y293 HydrophobicContact CB-CE2 3.88Å; Q291-Y293 HydrophobicContact CG-CE1 4.06Å; Q291-Y293 HydrophobicContact CG-CE2 4.18Å; Q291-Y293 WeakPolarHBondContact O-CE2 3.45Å; Q291-Y293 PolarHBondContact OE1-OH 2.61Å; Y293-Y302 CarbonylContact O-C 3.54Å; Y293-Y302 VanDerWaalsContact O-CA 3.31Å; Y293-Y302 WeakPolarHBondContact O-CA 3.37Å; Y293-Y302 WeakPolarHBondContact O-CB 3.45Å; Y293-F303 VanDerWaalsContact CB-CZ 3.47Å; Y293-F303 AromaticContact CD2-CE2 3.94Å; Y293-F303 HydrophobicContact CD2-CE2 3.94Å; Y293-F303 HydrophobicContact CD2-CZ 4.19Å; Y293-F303 HydrophobicContact CG-CE2 4.31Å; Y293-F303 HydrophobicContact CG-CZ 4.1Å; Y293-F303 PolarHBondContact N-O 3.06Å; Y293-F303 WeakPolarHBondContact O-CD1 3.34Å; Y293-F303 PolarHBondContact O-N 2.91Å; Y293-C305 HydrophobicContact CE2-CB 4.38Å
294A89.6Confident89.4Confident35 Ų3570.3 Ų70.329%0.28938%0.378SS..EExtended strand (participates in β ladder)trans-75.3139.4170.900000110.3G296 F322 A324A294-G296 PolarHBondContact O-N 3.1Å; A294-F322 HydrophobicContact CB-CD1 3.69Å; A294-F322 HydrophobicContact CB-CE1 4.03Å; A294-A324 HydrophobicContact CB-CB 4.38Å
295V86.5Confident89.5Confident45 Ų4567 Ų6727%0.27335%0.35SS..SBendtrans-68.4-27173.4170.30000111.9F275 T299 K301 F303F275-V295 HydrophobicContact CE2-CG1 3.48Å; F275-V295 VanDerWaalsContact CE2-CG1 3.48Å; F275-V295 HydrophobicContact CZ-CB 4.3Å; F275-V295 HydrophobicContact CZ-CG1 3.45Å; F275-V295 VanDerWaalsContact CZ-CG1 3.45Å; F275-V295 HydrophobicContact CZ-CG2 3.81Å; V295-T299 HydrophobicContact CB-CG2 4.21Å; V295-K301 HydrophobicContact CB-CB 4.31Å; V295-K301 WeakPolarHBondContact CB-O 3.44Å; V295-K301 HydrophobicContact CG2-CB 3.91Å; V295-K301 VanDerWaalsContact CG2-O 3.3Å; V295-K301 WeakPolarHBondContact CG2-O 3.49Å; V295-K301 PolarHBondContact N-O 3.28Å; V295-F303 HydrophobicContact CG2-CD1 3.81Å; V295-F303 HydrophobicContact CG2-CE1 4.44Å
296G83Confident89.6Confident39 Ų3962.9 Ų62.940%0.40233%0.333SS..SBendtrans-170-174.2-179.200000112A294 T299A294-G296 PolarHBondContact O-N 3.1Å; G296-T299 WeakPolarHBondContact O-CG2 3.45Å
297Q80.9Confident89.5Confident155 Ų15558 Ų5872%0.72433%0.328SS*.THydrogen-bonded Turntrans-71.3132.8172.4-66-173.4-25.300109.6T299Q297-T299 PolarHBondContact O-N 2.68Å
298C83.5Confident89.6Confident20 Ų2060.9 Ų60.914%0.13536%0.357CS..THydrogen-bonded Turntrans46.862.4177.8-161.80000114.1F321 C338C298-F321 WeakPolarHBondContact O-CD1 3.4Å; C298-F321 WeakPolarHBondContact O-CE1 3.3Å; C298-C338 WeakPolarHBondContact CA-SG 3.23Å; C298-C338 HydrophobicContact CB-CB 3.97Å; C298-C338 WeakPolarHBondContact CB-SG 3.37Å; C298-C338 VanDerWaalsContact SG-CA 3.55Å; C298-C338 WeakPolarHBondContact SG-CB 3.02Å; C298-C338 CovalentContact SG-SG 2.03Å; C298-C338 PolarHBondContact SG-SG 2.96Å
299T85.7Confident89.4Confident31 Ų3155.4 Ų55.419%0.1934%0.335CS..  trans-117.7151.8-178.6-177.90000111.7V295 G296 Q297 K301 F322V295-T299 HydrophobicContact CB-CG2 4.21Å; G296-T299 WeakPolarHBondContact O-CG2 3.45Å; Q297-T299 PolarHBondContact O-N 2.68Å; T299-K301 VanDerWaalsContact C-N 3.27Å; T299-K301 WeakPolarHBondContact CG2-O 3.45Å; T299-K301 PolarHBondContact OG1-N 2.89Å; T299-K301 VanDerWaalsContact OG1-N 3.08Å; T299-F322 PolarHBondContact O-N 2.65Å
300Q89Confident89.4Confident54 Ų5457 Ų5725%0.25233%0.334SS..SBendtrans-78.4-16.1168.8-53.8-165.1-84.800111.8E315 C316 P317 W320 F321Q300-E315 HydrophobicContact CB-CG 4.19Å; Q300-E315 CarbonylContact O-C 3.54Å; Q300-E315 WeakPolarHBondContact O-CA 3.33Å; Q300-C316 HydrophobicContact CB-CB 4.37Å; Q300-C316 WeakPolarHBondContact O-CB 3.4Å; Q300-C316 PolarHBondContact O-N 3.48Å; Q300-C316 PolarHBondContact O-SG 3.3Å; Q300-P317 PolarHBondContact NE2-O 2.87Å; Q300-W320 VanDerWaalsContact CG-O 3.28Å; Q300-W320 WeakPolarHBondContact CG-O 3.44Å; Q300-W320 PolarHBondContact NE2-O 3.01Å; Q300-F321 HydrophobicContact CG-CD1 3.97Å; Q300-F321 HydrophobicContact CG-CD2 4.46Å; Q300-F321 HydrophobicContact CG-CE1 3.87Å; Q300-F321 HydrophobicContact CG-CE2 4.37Å; Q300-F321 HydrophobicContact CG-CG 4.28Å; Q300-F321 HydrophobicContact CG-CZ 4.08Å
301K89.5Confident89.5Confident82 Ų8255 Ų5536%0.35731%0.313SS..EExtended strand (participates in β ladder)trans-99132.3-175-64.8-175.5177.9-176.80112.1V295 T299 V313 S314 E315V295-K301 HydrophobicContact CB-CB 4.31Å; V295-K301 WeakPolarHBondContact CB-O 3.44Å; V295-K301 HydrophobicContact CG2-CB 3.91Å; V295-K301 VanDerWaalsContact CG2-O 3.3Å; V295-K301 WeakPolarHBondContact CG2-O 3.49Å; V295-K301 PolarHBondContact N-O 3.28Å; T299-K301 VanDerWaalsContact C-N 3.27Å; T299-K301 WeakPolarHBondContact CG2-O 3.45Å; T299-K301 PolarHBondContact OG1-N 2.89Å; T299-K301 VanDerWaalsContact OG1-N 3.08Å; K301-V313 HydrophobicContact CB-CG1 4.5Å; K301-S314 WeakPolarHBondContact CA-O 3.44Å; K301-E315 WeakPolarHBondContact CE-OE1 3.45Å; K301-E315 WeakPolarHBondContact CE-OE2 3.44Å; K301-E315 HydrophobicContact CG-CB 4.25Å; K301-E315 HydrophobicContact CG-CG 4.03Å; K301-E315 IonicContact NZ-OE2 3.3Å
302Y91.5Very high89.6Confident56 Ų5653.5 Ų53.522%0.2231%0.312CS..EExtended strand (participates in β ladder)trans-132165.7174.162.8-88.7000109.6I292 Y293 V313 S314 F322I292-Y302 HydrophobicContact CG2-CD2 3.4Å; I292-Y302 HydrophobicContact CG2-CE2 4.11Å; I292-Y302 HydrophobicContact CG2-CG 4.14Å; Y293-Y302 CarbonylContact O-C 3.54Å; Y293-Y302 VanDerWaalsContact O-CA 3.31Å; Y293-Y302 WeakPolarHBondContact O-CA 3.37Å; Y293-Y302 WeakPolarHBondContact O-CB 3.45Å; Y302-V313 WeakPolarHBondContact O-CA 3.41Å; Y302-S314 VanDerWaalsContact CZ-CB 3.48Å; Y302-S314 PolarHBondContact N-O 2.87Å; Y302-S314 PolarHBondContact O-N 2.64Å; Y302-F322 HydrophobicContact CD1-CB 4.15Å; Y302-F322 AromaticContact CD1-CD2 3.56Å; Y302-F322 HydrophobicContact CD1-CD2 3.56Å; Y302-F322 HydrophobicContact CD1-CE2 4.26Å; Y302-F322 HydrophobicContact CD1-CG 4.06Å; Y302-F322 HydrophobicContact CD2-CD2 4.23Å; Y302-F322 HydrophobicContact CD2-CE2 4.11Å; Y302-F322 HydrophobicContact CE1-CD2 4.3Å; Y302-F322 HydrophobicContact CG-CB 4.48Å; Y302-F322 AromaticContact CG-CD2 3.51Å; Y302-F322 HydrophobicContact CG-CD2 3.51Å; Y302-F322 AromaticContact CG-CE2 3.82Å; Y302-F322 HydrophobicContact CG-CE2 3.82Å; Y302-F322 AromaticContact CG-CG 3.99Å; Y302-F322 HydrophobicContact CG-CG 3.99Å
303F93.1Very high89.5Confident6 Ų653.2 Ų53.23%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-143.6150.5178.667.7-79.9000111.4L279 F282 I292 Y293 V295 A311 S312 V313L279-F303 HydrophobicContact CD1-CB 4.3Å; L279-F303 HydrophobicContact CD1-CD1 4.25Å; L279-F303 HydrophobicContact CD1-CG 4.15Å; L279-F303 HydrophobicContact CD2-CD1 3.71Å; L279-F303 HydrophobicContact CD2-CD2 4.33Å; L279-F303 HydrophobicContact CD2-CE1 3.49Å; L279-F303 VanDerWaalsContact CD2-CE1 3.49Å; L279-F303 HydrophobicContact CD2-CE2 4.13Å; L279-F303 HydrophobicContact CD2-CG 4.13Å; L279-F303 HydrophobicContact CD2-CZ 3.7Å; F282-F303 AromaticContact CD1-CE2 3.72Å; F282-F303 HydrophobicContact CD1-CE2 3.72Å; F282-F303 AromaticContact CD1-CZ 3.67Å; F282-F303 HydrophobicContact CD1-CZ 3.67Å; F282-F303 HydrophobicContact CE1-CE2 4.12Å; F282-F303 AromaticContact CE1-CZ 3.93Å; F282-F303 HydrophobicContact CE1-CZ 3.93Å; F282-F303 HydrophobicContact CG-CZ 4.41Å; I292-F303 WeakPolarHBondContact CA-O 3.33Å; Y293-F303 VanDerWaalsContact CB-CZ 3.47Å; Y293-F303 AromaticContact CD2-CE2 3.94Å; Y293-F303 HydrophobicContact CD2-CE2 3.94Å; Y293-F303 HydrophobicContact CD2-CZ 4.19Å; Y293-F303 HydrophobicContact CG-CE2 4.31Å; Y293-F303 HydrophobicContact CG-CZ 4.1Å; Y293-F303 PolarHBondContact N-O 3.06Å; Y293-F303 WeakPolarHBondContact O-CD1 3.34Å; Y293-F303 PolarHBondContact O-N 2.91Å; V295-F303 HydrophobicContact CG2-CD1 3.81Å; V295-F303 HydrophobicContact CG2-CE1 4.44Å; F303-A311 HydrophobicContact CD2-CB 3.8Å; F303-A311 HydrophobicContact CE2-CB 4.5Å; F303-A311 HydrophobicContact CG-CB 4.48Å; F303-S312 CarbonylContact C-O 3.51Å; F303-S312 WeakPolarHBondContact CA-O 3.5Å; F303-S312 WeakPolarHBondContact CB-O 3.48Å; F303-V313 HydrophobicContact CB-CG2 4.26Å
304I93.7Very high89.6Confident51 Ų5153.6 Ų53.626%0.26232%0.32SS..EExtended strand (participates in β ladder)trans-109.3137.7173.8-173.6167.3000109.4Q291 I292 L306 A311 S312Q291-I304 WeakPolarHBondContact O-CA 3.4Å; I292-I304 HydrophobicContact CG1-CD1 4.42Å; I304-L306 HydrophobicContact CG2-CD2 4.31Å; I304-A311 WeakPolarHBondContact O-CA 3.48Å; I304-S312 PolarHBondContact N-O 2.98Å; I304-S312 PolarHBondContact O-N 2.77Å
305C94.7Very high89.6Confident1 Ų157.2 Ų57.21%0.00733%0.331CS..EExtended strand (participates in β ladder)trans-82.8123.2173.6-68.10000110.4C283 Q288 V289 G290 Q291 Y293C283-C305 WeakPolarHBondContact CA-SG 3.41Å; C283-C305 HydrophobicContact CB-CB 3.69Å; C283-C305 WeakPolarHBondContact CB-SG 3.36Å; C283-C305 WeakPolarHBondContact SG-CA 3.45Å; C283-C305 WeakPolarHBondContact SG-CB 3.28Å; C283-C305 CovalentContact SG-SG 2.04Å; C283-C305 PolarHBondContact SG-SG 2.86Å; Q288-C305 WeakPolarHBondContact O-CB 3Å; V289-C305 WeakPolarHBondContact CA-O 3.4Å; G290-C305 PolarHBondContact N-O 3.12Å; Q291-C305 PolarHBondContact O-N 2.76Å; Y293-C305 HydrophobicContact CE2-CB 4.38Å
306L93.4Very high89.9Confident73 Ų7355.3 Ų55.338%0.38232%0.32SS..EExtended strand (participates in β ladder)trans-96.9158.5178.2-61.2178000110.7I304 G308 G309 K310I304-L306 HydrophobicContact CG2-CD2 4.31Å; L306-G308 PolarHBondContact O-N 3.33Å; L306-G309 PolarHBondContact O-N 3.37Å; L306-K310 WeakPolarHBondContact CB-O 3.38Å; L306-K310 PolarHBondContact N-O 2.81Å
307P90.1Very high90.1Very high100 Ų10057.2 Ų57.265%0.64933%0.325SS*.THydrogen-bonded Turntrans-51.3137.7170.9-22.531000111.7V289V289-P307 HydrophobicContact CG1-CG 3.78Å
308G89.6Confident90.2Very high78 Ų7854.4 Ų54.480%0.80432%0.323SS*.THydrogen-bonded Turntrans88.615.5-178.100000115.4L306 K310L306-G308 PolarHBondContact O-N 3.33Å; G308-K310 PolarHBondContact O-N 2.9Å
309G88.6Confident90.1Very high16 Ų1662.3 Ų62.317%0.16535%0.351CS..THydrogen-bonded Turntrans73.324.5173.800000114.1N280 L306N280-G309 CarbonylContact C-O 3.54Å; N280-G309 WeakPolarHBondContact CA-O 3Å; L306-G309 PolarHBondContact O-N 3.37Å
310K91.6Very high90.2Very high134 Ų13466.1 Ų66.158%0.58336%0.362SS*.EExtended strand (participates in β ladder)trans-99.6141.8177.3-64.7-177.5-178.7178.70110.3L306 G308L306-K310 WeakPolarHBondContact CB-O 3.38Å; L306-K310 PolarHBondContact N-O 2.81Å; G308-K310 PolarHBondContact O-N 2.9Å
311A91.5Very high90.3Very high7 Ų765.1 Ų65.16%0.05836%0.357CS..EExtended strand (participates in β ladder)trans-100139.3172.500000110.6Q276 L279 N280 F303 I304Q276-A311 PolarHBondContact NE2-O 2.63Å; L279-A311 HydrophobicContact CB-CB 3.48Å; L279-A311 VanDerWaalsContact CB-CB 3.48Å; L279-A311 HydrophobicContact CD1-CB 4.48Å; N280-A311 PolarHBondContact OD1-N 3.04Å; F303-A311 HydrophobicContact CD2-CB 3.8Å; F303-A311 HydrophobicContact CE2-CB 4.5Å; F303-A311 HydrophobicContact CG-CB 4.48Å; I304-A311 WeakPolarHBondContact O-CA 3.48Å
312S93Very high90.4Very high51 Ų5161.7 Ų61.736%0.35734%0.342SS..EExtended strand (participates in β ladder)trans-110.4119.9166.4-177.60000109.1F303 I304F303-S312 CarbonylContact C-O 3.51Å; F303-S312 WeakPolarHBondContact CA-O 3.5Å; F303-S312 WeakPolarHBondContact CB-O 3.48Å; I304-S312 PolarHBondContact N-O 2.98Å; I304-S312 PolarHBondContact O-N 2.77Å
313V91Very high90.3Very high47 Ų4759.2 Ų59.229%0.28533%0.333SS..EExtended strand (participates in β ladder)trans-89.5137.5-177.5-172.80000109.9F275 L279 K301 Y302 F303F275-V313 HydrophobicContact CE1-CG1 4.15Å; F275-V313 HydrophobicContact CE1-CG2 3.97Å; L279-V313 HydrophobicContact CD1-CG2 3.42Å; L279-V313 VanDerWaalsContact CD1-CG2 3.42Å; K301-V313 HydrophobicContact CB-CG1 4.5Å; Y302-V313 WeakPolarHBondContact O-CA 3.41Å; F303-V313 HydrophobicContact CB-CG2 4.26Å
314S91.6Very high90Very high44 Ų4462.1 Ų62.131%0.30836%0.358SS..EExtended strand (participates in β ladder)trans-132.4155.5174.5-61.20000109.6K301 Y302K301-S314 WeakPolarHBondContact CA-O 3.44Å; Y302-S314 VanDerWaalsContact CZ-CB 3.48Å; Y302-S314 PolarHBondContact N-O 2.87Å; Y302-S314 PolarHBondContact O-N 2.64Å
315E91.2Very high89.7Confident111 Ų11164.3 Ų64.352%0.51938%0.377SS..EExtended strand (participates in β ladder)trans-122.2134.6-178.8-171154.5-150.700109.1Q300 K301Q300-E315 HydrophobicContact CB-CG 4.19Å; Q300-E315 CarbonylContact O-C 3.54Å; Q300-E315 WeakPolarHBondContact O-CA 3.33Å; K301-E315 WeakPolarHBondContact CE-OE1 3.45Å; K301-E315 WeakPolarHBondContact CE-OE2 3.44Å; K301-E315 HydrophobicContact CG-CB 4.25Å; K301-E315 HydrophobicContact CG-CG 4.03Å; K301-E315 IonicContact NZ-OE2 3.3Å
316C91.4Very high89.4Confident6 Ų667.6 Ų67.64%0.04140%0.398CS..PPolyproline II helixtrans-64.3151.3172.2-69.80000109.8Q300 W320 C329Q300-C316 HydrophobicContact CB-CB 4.37Å; Q300-C316 WeakPolarHBondContact O-CB 3.4Å; Q300-C316 PolarHBondContact O-N 3.48Å; Q300-C316 PolarHBondContact O-SG 3.3Å; C316-W320 HydrophobicContact CB-CB 4.11Å; C316-W320 VanDerWaalsContact CB-O 3.23Å; C316-W320 WeakPolarHBondContact CB-O 3.34Å; C316-C329 VanDerWaalsContact CA-SG 3.51Å; C316-C329 HydrophobicContact CB-CB 3.81Å; C316-C329 WeakPolarHBondContact CB-SG 3.42Å; C316-C329 WeakPolarHBondContact SG-CB 3.23Å; C316-C329 CovalentContact SG-SG 2.04Å; C316-C329 PolarHBondContact SG-SG 2.7Å
317P88.3Confident89.2Confident79 Ų7967 Ų6751%0.51340%0.399SS..PPolyproline II helixtrans-57.4160.3173.523.1-31.4000111.7Q300 Y319 W320Q300-P317 PolarHBondContact NE2-O 2.87Å; P317-Y319 PolarHBondContact O-N 3.15Å; P317-W320 HydrophobicContact CG-CB 4.07Å; P317-W320 HydrophobicContact CG-CD2 4.4Å; P317-W320 HydrophobicContact CG-CG 4.05Å; P317-W320 WeakPolarHBondContact O-CB 3.42Å; P317-W320 PolarHBondContact O-N 2.84Å
318S83.1Confident89.2Confident95 Ų9566.9 Ų66.966%0.66439%0.393SS*.THydrogen-bonded Turntrans-48.4132.1-178.1-52.50000112W320S318-W320 PolarHBondContact O-N 2.81Å
319Y80.6Confident89.3Confident187 Ų18763.7 Ų63.773%0.73336%0.359SS*.THydrogen-bonded Turntrans69.22.8-177.3-47.9-79.3000116.8P317P317-Y319 PolarHBondContact O-N 3.15Å
320W88.7Confident89.3Confident111 Ų11167 Ų6742%0.4237%0.366SS..EExtended strand (participates in β ladder)trans-103.6144.1173.4-69.150.5000110.4Q300 C316 P317 S318 C329 P331Q300-W320 VanDerWaalsContact CG-O 3.28Å; Q300-W320 WeakPolarHBondContact CG-O 3.44Å; Q300-W320 PolarHBondContact NE2-O 3.01Å; C316-W320 HydrophobicContact CB-CB 4.11Å; C316-W320 VanDerWaalsContact CB-O 3.23Å; C316-W320 WeakPolarHBondContact CB-O 3.34Å; P317-W320 HydrophobicContact CG-CB 4.07Å; P317-W320 HydrophobicContact CG-CD2 4.4Å; P317-W320 HydrophobicContact CG-CG 4.05Å; P317-W320 WeakPolarHBondContact O-CB 3.42Å; P317-W320 PolarHBondContact O-N 2.84Å; S318-W320 PolarHBondContact O-N 2.81Å; W320-C329 HydrophobicContact CB-CB 4.29Å; W320-C329 VanDerWaalsContact CE3-C 3.46Å; W320-C329 HydrophobicContact CE3-CB 4Å; W320-C329 WeakPolarHBondContact CZ3-O 3.5Å; W320-P331 HydrophobicContact CD2-CG 4.27Å; W320-P331 HydrophobicContact CH2-CG 4.38Å; W320-P331 HydrophobicContact CZ2-CG 3.99Å
321F90.1Very high89.1Confident33 Ų3361.3 Ų61.315%0.14534%0.343CS..EExtended strand (participates in β ladder)trans-122.1150.5-177.5-73.7-101.1000109.6C298 Q300 D323 C329 R330 V332 I335 L342C298-F321 WeakPolarHBondContact O-CD1 3.4Å; C298-F321 WeakPolarHBondContact O-CE1 3.3Å; Q300-F321 HydrophobicContact CG-CD1 3.97Å; Q300-F321 HydrophobicContact CG-CD2 4.46Å; Q300-F321 HydrophobicContact CG-CE1 3.87Å; Q300-F321 HydrophobicContact CG-CE2 4.37Å; Q300-F321 HydrophobicContact CG-CG 4.28Å; Q300-F321 HydrophobicContact CG-CZ 4.08Å; F321-D323 PolarHBondContact O-N 3.01Å; F321-C329 CarbonylContact O-C 3.34Å; F321-C329 WeakPolarHBondContact O-CA 3.45Å; F321-R330 PolarHBondContact N-O 3Å; F321-R330 PolarHBondContact O-N 3.31Å; F321-R330 VanDerWaalsContact O-O 3.14Å; F321-V332 HydrophobicContact CD2-CB 3.66Å; F321-V332 HydrophobicContact CD2-CG2 3.68Å; F321-V332 HydrophobicContact CE2-CB 3.93Å; F321-V332 HydrophobicContact CE2-CG2 3.83Å; F321-V332 HydrophobicContact CG-CB 4.46Å; F321-V332 HydrophobicContact CG-CG2 4.14Å; F321-V332 HydrophobicContact CZ-CG2 4.39Å; F321-I335 HydrophobicContact CB-CD1 3.59Å; F321-I335 WeakPolarHBondContact O-CD1 3.49Å; F321-L342 HydrophobicContact CZ-CD1 4.45Å
322F91Very high88.7Confident9 Ų961.9 Ų61.94%0.03935%0.346CS..EExtended strand (participates in β ladder)trans-79.7121.6-179.2-177.4-100.8000110.9I292 A294 T299 Y302 A324I292-F322 HydrophobicContact CB-CZ 4.09Å; I292-F322 HydrophobicContact CG2-CE1 4.38Å; I292-F322 HydrophobicContact CG2-CE2 3.61Å; I292-F322 HydrophobicContact CG2-CZ 3.41Å; I292-F322 VanDerWaalsContact CG2-CZ 3.41Å; A294-F322 HydrophobicContact CB-CD1 3.69Å; A294-F322 HydrophobicContact CB-CE1 4.03Å; T299-F322 PolarHBondContact O-N 2.65Å; Y302-F322 HydrophobicContact CD1-CB 4.15Å; Y302-F322 AromaticContact CD1-CD2 3.56Å; Y302-F322 HydrophobicContact CD1-CD2 3.56Å; Y302-F322 HydrophobicContact CD1-CE2 4.26Å; Y302-F322 HydrophobicContact CD1-CG 4.06Å; Y302-F322 HydrophobicContact CD2-CD2 4.23Å; Y302-F322 HydrophobicContact CD2-CE2 4.11Å; Y302-F322 HydrophobicContact CE1-CD2 4.3Å; Y302-F322 HydrophobicContact CG-CB 4.48Å; Y302-F322 AromaticContact CG-CD2 3.51Å; Y302-F322 HydrophobicContact CG-CD2 3.51Å; Y302-F322 AromaticContact CG-CE2 3.82Å; Y302-F322 HydrophobicContact CG-CE2 3.82Å; Y302-F322 AromaticContact CG-CG 3.99Å; Y302-F322 HydrophobicContact CG-CG 3.99Å; F322-A324 HydrophobicContact CE1-CB 4.29Å
323D90.2Very high88.1Confident5 Ų567.9 Ų67.93%0.02736%0.362CS..EExtended strand (participates in β ladder)trans-94.7105.5175179.85.1000109.8F321 S325 T326 S327 N328 R330 I335F321-D323 PolarHBondContact O-N 3.01Å; D323-S325 PolarHBondContact O-N 2.01Å; D323-S325 WeakPolarHBondContact OD1-CB 2.99Å; D323-S325 PolarHBondContact OD1-N 2.99Å; D323-S325 PolarHBondContact OD1-OG 2.79Å; D323-S325 PolarHBondContact OD2-OG 3.48Å; D323-S325 VanDerWaalsContact OD2-OG 3.1Å; D323-T326 WeakPolarHBondContact CB-OG1 3.48Å; D323-T326 VanDerWaalsContact CG-OG1 3.25Å; D323-T326 PolarHBondContact O-N 2.93Å; D323-T326 PolarHBondContact OD2-OG1 2.97Å; D323-S327 WeakPolarHBondContact O-CA 3.46Å; D323-S327 PolarHBondContact O-N 3.03Å; D323-N328 WeakPolarHBondContact CB-O 3.39Å; D323-N328 PolarHBondContact N-O 3.46Å; D323-N328 PolarHBondContact O-N 2.85Å; D323-R330 HydrophobicContact CB-CG 4.46Å; D323-R330 IonicContact OD2-NH1 3.18Å; D323-I335 HydrophobicContact CB-CD1 3.98Å; D323-I335 HydrophobicContact CB-CG1 4.04Å; D323-I335 HydrophobicContact CB-CG2 4.42Å
324A87.3Confident87.6Confident67 Ų6768.9 Ų68.955%0.55436%0.364SS*.THydrogen-bonded Turntrans-62.8-22.7178.400000113.3A294 F322A294-A324 HydrophobicContact CB-CB 4.38Å; F322-A324 HydrophobicContact CE1-CB 4.29Å
325S86.9Confident87.2Confident96 Ų9666.9 Ų66.967%0.67135%0.35SS*.THydrogen-bonded Turntrans-74.4-33.6179.372.40000112.6D323D323-S325 PolarHBondContact O-N 2.01Å; D323-S325 WeakPolarHBondContact OD1-CB 2.99Å; D323-S325 PolarHBondContact OD1-N 2.99Å; D323-S325 PolarHBondContact OD1-OG 2.79Å; D323-S325 PolarHBondContact OD2-OG 3.48Å; D323-S325 VanDerWaalsContact OD2-OG 3.1Å
326T88Confident86.6Confident71 Ų7166.4 Ų66.444%0.43636%0.356SS..THydrogen-bonded Turntrans-107.3-2179.457.20000113.3D323 N328D323-T326 WeakPolarHBondContact CB-OG1 3.48Å; D323-T326 VanDerWaalsContact CG-OG1 3.25Å; D323-T326 PolarHBondContact O-N 2.93Å; D323-T326 PolarHBondContact OD2-OG1 2.97Å; T326-N328 PolarHBondContact O-N 2.67Å
327S88.6Confident85.8Confident59 Ų5969.6 Ų69.641%0.41338%0.379SS..THydrogen-bonded Turntrans50.334.8-172.6-62.40000113.2D323D323-S327 WeakPolarHBondContact O-CA 3.46Å; D323-S327 PolarHBondContact O-N 3.03Å
328N91.2Very high85.3Confident98 Ų9866 Ų6652%0.52436%0.356SS..EExtended strand (participates in β ladder)trans-137.2154.2-174-162.51.6000111.3D323 T326D323-N328 WeakPolarHBondContact CB-O 3.39Å; D323-N328 PolarHBondContact N-O 3.46Å; D323-N328 PolarHBondContact O-N 2.85Å; T326-N328 PolarHBondContact O-N 2.67Å
329C91.7Very high84.6Confident12 Ų1266.3 Ų66.38%0.08136%0.358CS..EExtended strand (participates in β ladder)trans-74.4133.3170-63.50000109C316 W320 F321C316-C329 VanDerWaalsContact CA-SG 3.51Å; C316-C329 HydrophobicContact CB-CB 3.81Å; C316-C329 WeakPolarHBondContact CB-SG 3.42Å; C316-C329 WeakPolarHBondContact SG-CB 3.23Å; C316-C329 CovalentContact SG-SG 2.04Å; C316-C329 PolarHBondContact SG-SG 2.7Å; W320-C329 HydrophobicContact CB-CB 4.29Å; W320-C329 VanDerWaalsContact CE3-C 3.46Å; W320-C329 HydrophobicContact CE3-CB 4Å; W320-C329 WeakPolarHBondContact CZ3-O 3.5Å; F321-C329 CarbonylContact O-C 3.34Å; F321-C329 WeakPolarHBondContact O-CA 3.45Å
330R89.2Confident83.7Confident84 Ų8460.2 Ų60.232%0.31735%0.352SS..EExtended strand (participates in β ladder)trans-139.1157.1175.1-63.7-177.171.7-1773.1110.9F321 D323 M334 I335F321-R330 PolarHBondContact N-O 3Å; F321-R330 PolarHBondContact O-N 3.31Å; F321-R330 VanDerWaalsContact O-O 3.14Å; D323-R330 HydrophobicContact CB-CG 4.46Å; D323-R330 IonicContact OD2-NH1 3.18Å; R330-M334 HydrophobicContact CB-CB 4.47Å; R330-M334 PolarHBondContact NH2-SD 3.45Å; R330-I335 HydrophobicContact CB-CD1 4.32Å; R330-I335 HydrophobicContact CB-CG1 4.15Å
331P85.8Confident82Confident15 Ų1560.4 Ų60.410%0.09736%0.357CS..EExtended strand (participates in β ladder)trans-58.2144.9169.7-26.437.7000111.6W320 Y333 M334W320-P331 HydrophobicContact CD2-CG 4.27Å; W320-P331 HydrophobicContact CH2-CG 4.38Å; W320-P331 HydrophobicContact CZ2-CG 3.99Å; P331-Y333 VanDerWaalsContact C-N 3.26Å; P331-Y333 HydrophobicContact CB-CD1 3.87Å; P331-Y333 HydrophobicContact CB-CE1 3.27Å; P331-Y333 HydrophobicContact CB-CE2 4.21Å; P331-Y333 VanDerWaalsContact CB-CZ 3.47Å; P331-Y333 HydrophobicContact CG-CE1 4.27Å; P331-Y333 PolarHBondContact O-N 2.92Å; P331-Y333 VanDerWaalsContact O-N 3.13Å; P331-M334 HydrophobicContact CB-CE 4.04Å; P331-M334 HydrophobicContact CG-CE 3.58Å; P331-M334 WeakPolarHBondContact O-CB 3.27Å; P331-M334 PolarHBondContact O-N 3.23Å
332V83.1Confident80.1Confident19 Ų1960.2 Ų60.212%0.11536%0.358CS..G310 helixtrans-58.6-33.3-167.475.80000114.9F321 M334 I335 C338 L342 L346F321-V332 HydrophobicContact CD2-CB 3.66Å; F321-V332 HydrophobicContact CD2-CG2 3.68Å; F321-V332 HydrophobicContact CE2-CB 3.93Å; F321-V332 HydrophobicContact CE2-CG2 3.83Å; F321-V332 HydrophobicContact CG-CB 4.46Å; F321-V332 HydrophobicContact CG-CG2 4.14Å; F321-V332 HydrophobicContact CZ-CG2 4.39Å; V332-M334 PolarHBondContact O-N 2.84Å; V332-I335 PolarHBondContact O-N 3.46Å; V332-C338 HydrophobicContact CG2-CB 3.74Å; V332-L342 HydrophobicContact CB-CD1 4.39Å; V332-L342 HydrophobicContact CG2-CD1 3.15Å; V332-L346 HydrophobicContact CG1-CD1 4.46Å; V332-L346 HydrophobicContact CG1-CD2 4.38Å
333Y80.3Confident77.8Confident177 Ų17768.2 Ų68.269%0.69440%0.395SS*.G310 helixtrans-71.2-12179.257.6-98.3000113.7P331P331-Y333 VanDerWaalsContact C-N 3.26Å; P331-Y333 HydrophobicContact CB-CD1 3.87Å; P331-Y333 HydrophobicContact CB-CE1 3.27Å; P331-Y333 HydrophobicContact CB-CE2 4.21Å; P331-Y333 VanDerWaalsContact CB-CZ 3.47Å; P331-Y333 HydrophobicContact CG-CE1 4.27Å; P331-Y333 PolarHBondContact O-N 2.92Å; P331-Y333 VanDerWaalsContact O-N 3.13Å
334M81.7Confident75.6Confident69 Ų6970.7 Ų70.734%0.3442%0.422SS..G310 helixtrans-94.6-6.7177.3-58.1-171.9-152.700113.6R330 P331 V332 P336R330-M334 HydrophobicContact CB-CB 4.47Å; R330-M334 PolarHBondContact NH2-SD 3.45Å; P331-M334 HydrophobicContact CB-CE 4.04Å; P331-M334 HydrophobicContact CG-CE 3.58Å; P331-M334 WeakPolarHBondContact O-CB 3.27Å; P331-M334 PolarHBondContact O-N 3.23Å; V332-M334 PolarHBondContact O-N 2.84Å; M334-P336 WeakPolarHBondContact O-CD 3.11Å
335I82.6Confident73.4Confident1 Ų174.9 Ų74.91%0.00543%0.43CS..  trans-103.1109.2-174.1-53.6-179.1000108.5F321 D323 R330 V332 S337 C338F321-I335 HydrophobicContact CB-CD1 3.59Å; F321-I335 WeakPolarHBondContact O-CD1 3.49Å; D323-I335 HydrophobicContact CB-CD1 3.98Å; D323-I335 HydrophobicContact CB-CG1 4.04Å; D323-I335 HydrophobicContact CB-CG2 4.42Å; R330-I335 HydrophobicContact CB-CD1 4.32Å; R330-I335 HydrophobicContact CB-CG1 4.15Å; V332-I335 PolarHBondContact O-N 3.46Å; I335-S337 WeakPolarHBondContact CG2-OG 3.28Å; I335-S337 PolarHBondContact O-N 3.23Å; I335-S337 VanDerWaalsContact O-N 3.12Å; I335-C338 HydrophobicContact CB-CB 4.18Å; I335-C338 WeakPolarHBondContact O-CB 3.24Å; I335-C338 PolarHBondContact O-N 3.07Å
336P79.3Confident71.2Confident101 Ų10175.7 Ų75.766%0.65643%0.426SS*.G310 helixtrans-57.2-33.5-174.4-27.335.3000114.2M334 C338 S339M334-P336 WeakPolarHBondContact O-CD 3.11Å; P336-C338 VanDerWaalsContact C-N 3.27Å; P336-C338 PolarHBondContact O-N 2.78Å; P336-S339 VanDerWaalsContact C-OG 3.26Å; P336-S339 WeakPolarHBondContact CA-OG 3.46Å; P336-S339 PolarHBondContact O-N 3.27Å; P336-S339 PolarHBondContact O-OG 3.09Å
337S74.4Confident68.7Low74 Ų7480.9 Ų80.952%0.51744%0.443SS..G310 helixtrans-72.1-15178.147.40000114.3I335I335-S337 WeakPolarHBondContact CG2-OG 3.28Å; I335-S337 PolarHBondContact O-N 3.23Å; I335-S337 VanDerWaalsContact O-N 3.12Å
338C77.7Confident66Low4 Ų484.6 Ų84.63%0.02745%0.453CS..G310 helixtrans-87.5-18.1176.1-74.10000113.7C298 V332 I335 P336 G340 Q341C298-C338 WeakPolarHBondContact CA-SG 3.23Å; C298-C338 HydrophobicContact CB-CB 3.97Å; C298-C338 WeakPolarHBondContact CB-SG 3.37Å; C298-C338 VanDerWaalsContact SG-CA 3.55Å; C298-C338 WeakPolarHBondContact SG-CB 3.02Å; C298-C338 CovalentContact SG-SG 2.03Å; C298-C338 PolarHBondContact SG-SG 2.96Å; V332-C338 HydrophobicContact CG2-CB 3.74Å; I335-C338 HydrophobicContact CB-CB 4.18Å; I335-C338 WeakPolarHBondContact O-CB 3.24Å; I335-C338 PolarHBondContact O-N 3.07Å; P336-C338 VanDerWaalsContact C-N 3.27Å; P336-C338 PolarHBondContact O-N 2.78Å; C338-G340 PolarHBondContact O-N 3.49Å; C338-Q341 PolarHBondContact O-N 2.8Å
339S67.7Low63.3Low100 Ų10088.3 Ų88.370%0.69947%0.467SS*.THydrogen-bonded Turntrans-62.4-1.4-166.9-28.30000116.7P336P336-S339 VanDerWaalsContact C-OG 3.26Å; P336-S339 WeakPolarHBondContact CA-OG 3.46Å; P336-S339 PolarHBondContact O-N 3.27Å; P336-S339 PolarHBondContact O-OG 3.09Å
340G61.6Low60.6Low59 Ų5996.4 Ų96.461%0.60850%0.504SS*.THydrogen-bonded Turntrans-134.8-8.8-179.300000115.6C338C338-G340 PolarHBondContact O-N 3.49Å
341Q54.4Low57.9Low115 Ų11597.3 Ų97.354%0.53752%0.515SS..THydrogen-bonded Turntrans-93.8-15.9-177.4-79.5-172-66.400114C338C338-Q341 PolarHBondContact O-N 2.8Å
342L49.9Very low55.4Low30 Ų3099.3 Ų99.316%0.15753%0.533CS..  trans-105.728.6-172-69.3164000114.3F321 V332 G344 H345 L346F321-L342 HydrophobicContact CZ-CD1 4.45Å; V332-L342 HydrophobicContact CB-CD1 4.39Å; V332-L342 HydrophobicContact CG2-CD1 3.15Å; L342-G344 PolarHBondContact O-N 3.22Å; L342-H345 HydrophobicContact CD2-CB 3.8Å; L342-H345 PolarHBondContact O-N 3.48Å; L342-L346 HydrophobicContact CB-CD1 3.94Å
343Q42.4Very low53Low177 Ų177106 Ų10683%0.82756%0.563SS**THydrogen-bonded Turntrans-58.7-11.1166.8-79.3-169.8-47.900113.3
344G44.4Very low50.6Low57 Ų57106.5 Ų106.559%0.58857%0.569SS**THydrogen-bonded Turntrans-108.5-8.9177.400000117.4L342L342-G344 PolarHBondContact O-N 3.22Å
345H41Very low48.2Very low155 Ų155108.3 Ų108.372%0.71859%0.585SS**THydrogen-bonded Turntrans-123.3-3.9-174.5-71.7-45.4000114.9L342 F347L342-H345 HydrophobicContact CD2-CB 3.8Å; L342-H345 PolarHBondContact O-N 3.48Å; H345-F347 VanDerWaalsContact C-N 3.3Å
346L39Very low45.8Very low112 Ų112113.1 Ų113.159%0.58662%0.617SS**SBendtrans-87.33.4172.3-83.1150.7000113.7V332 L342V332-L346 HydrophobicContact CG1-CD1 4.46Å; V332-L346 HydrophobicContact CG1-CD2 4.38Å; L342-L346 HydrophobicContact CB-CD1 3.94Å
347F35.9Very low43.5Very low180 Ų180115.4 Ų115.479%0.78962%0.622SS**  trans-11356.8169.8-66.4-77.1000112H345H345-F347 VanDerWaalsContact C-N 3.3Å
348H33.3Very low41.5Very low137 Ų137122 Ų12263%0.63464%0.637SS**  trans-133.860.9151.9-97.5-76.7000108.4Q350 D351H348-Q350 VanDerWaalsContact C-N 3.26Å; H348-D351 IonicContact CE1-OD2 3.69Å; H348-D351 PolarHBondContact CE1-OD2 3.35Å; H348-D351 IonicContact ND1-OD2 2.66Å; H348-D351 PolarHBondContact ND1-OD2 3.24Å
349H34.5Very low39.5Very low176 Ų176130.1 Ų130.182%0.81567%0.674SS**  trans-89.610.9167.8-130.4-64.9000112.5
350Q34.8Very low37.7Very low182 Ų182133 Ų13385%0.8568%0.679SS**SBendtrans-111.3-4.3178.7-71.7-172.9-9.800115.4H348H348-Q350 VanDerWaalsContact C-N 3.26Å
351D33Very low36.1Very low103 Ų103142.1 Ų142.155%0.55170%0.695SS**  trans-112.65.7177-65.8-50.7000115.1H348 H353H348-D351 IonicContact CE1-OD2 3.69Å; H348-D351 PolarHBondContact CE1-OD2 3.35Å; H348-D351 IonicContact ND1-OD2 2.66Å; H348-D351 PolarHBondContact ND1-OD2 3.24Å; D351-H353 PolarHBondContact O-N 3.33Å
352A33.2Very low35Very low58 Ų58143.8 Ų143.848%0.47970%0.703SS.*  trans-75.771.6162.800000108.9F354A352-F354 PolarHBondContact O-N 3.18Å
353H32.3Very low34.8Very low159 Ų159156.9 Ų156.974%0.73675%0.752SS**  trans-56.291.6159.3-77.270000107D351 P355D351-H353 PolarHBondContact O-N 3.33Å; H353-P355 WeakPolarHBondContact O-CD 3.07Å; H353-P355 VanDerWaalsContact O-N 3.13Å
354F29.6Very low34.4Very low188 Ų188155.9 Ų155.983%0.82575%0.748SS**  trans-56115.2159.7-83.7-90000106.3A352A352-F354 PolarHBondContact O-N 3.18Å
355P30.3Very low33.9Very low106 Ų106161.1 Ų161.169%0.68876%0.757SS**  trans-62.9132173.225.6-30.1000107.3H353 I357H353-P355 WeakPolarHBondContact O-CD 3.07Å; H353-P355 VanDerWaalsContact O-N 3.13Å; P355-I357 PolarHBondContact O-N 3.33Å; P355-I357 VanDerWaalsContact O-N 3.17Å
356P32.9Very low33.5Very low102 Ų102161.4 Ų161.466%0.66276%0.759SS**  trans-61.1124.3-178.323.9-31.5000108.6Y358P356-Y358 PolarHBondContact O-N 2.03Å
357I31.8Very low33.2Very low149 Ų149164.3 Ų164.376%0.76477%0.769SS**  trans-60.9102.6169.6-63.4171.2000106P355 H359P355-I357 PolarHBondContact O-N 3.33Å; P355-I357 VanDerWaalsContact O-N 3.17Å; I357-H359 VanDerWaalsContact C-N 3.35Å; I357-H359 PolarHBondContact O-N 2.87Å
358Y32Very low33Very low212 Ų212163.3 Ų163.383%0.83177%0.768SS**  trans-58.4100.2166.4-80.3-90.3000107.6P356 M360P356-Y358 PolarHBondContact O-N 2.03Å; Y358-M360 PolarHBondContact O-N 3.37Å
359H34.9Very low33Very low175 Ų175165.1 Ų165.181%0.8178%0.777SS**  trans-62.8106.8161.7-99-85.1000107.4I357 R361I357-H359 VanDerWaalsContact C-N 3.35Å; I357-H359 PolarHBondContact O-N 2.87Å; H359-R361 PolarHBondContact O-N 3.18Å
360M31Very low32.9Very low162 Ų162164.3 Ų164.380%0.79877%0.774SS**  trans-52.9128173.1-67.4-177.5-164.700109.8Y358 Q362Y358-M360 PolarHBondContact O-N 3.37Å; M360-Q362 PolarHBondContact O-N 2.88Å
361R27.8Very low32.7Very low249 Ų249162.9 Ų162.994%0.9477%0.768SS**  trans-62.9119.4154.4-70.5-177.4-171.1-173.82107.7H359H359-R361 PolarHBondContact O-N 3.18Å
362Q31Very low32.7Very low151 Ų151167.9 Ų167.971%0.70679%0.786SS**  trans-130135.7156.5-78.8-176.4-1800107.2M360M360-Q362 PolarHBondContact O-N 2.88Å
363Y45.8Very low32.7Very low304 Ų304177.9 Ų177.9100%1.19281%0.814SS**  trans840-169.3-54.6-72.3000115.8

Retrieved 363 of 363 residues in 140.8 ms (Link to these results)