Q9ART8_ORYSJ Loading...

RING-type E3 ubiquitin transferase

E3 ubiquitin-protein ligase that mediates ubiquitination and subsequent proteasomal degradation of target proteins. E3 ubiquitin ligases accept ubiquitin from an E2 ubiquitin-conjugating enzyme in the form of a thioester and then directly transfers the ubiquitin to targeted substrates. It probably triggers the ubiquitin-mediated degradation of different substrates.

AlphaFold DB , UniProt , Accession Q9ART8, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 337 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
1M36.5Very low35.2Very low241 Ų241164.7 Ų164.7100%1.18790%0.895SS**  0141.30-78.2165152.700107.5
2Q38.3Very low35Very low194 Ų194159.7 Ų159.791%0.90789%0.892SS**  trans-62.7132.4-147.6-62.2160.611.800114.8
3H39.5Very low35Very low195 Ų195152.6 Ų152.690%0.90387%0.867SS**  trans-113.3112.2154.4-90.9-86.1000107.3
4G34.6Very low34.6Very low78 Ų78148.8 Ų148.880%0.80486%0.863SS**  trans-87.7128.4173.100000110.1
5E35.8Very low34.5Very low199 Ų199147.3 Ų147.393%0.9384%0.838SS**  trans-93112.9178.9-145.7152.410300108.6
6Q37.3Very low34.3Very low197 Ų197144.6 Ų144.692%0.92183%0.825SS**  trans-86.6116.4173.3-75.8-173.522.800109.9
7S33.6Very low34.3Very low122 Ų122141.5 Ų141.585%0.85381%0.809SS**  trans-76.5119.8167.4173.40000110.2
8G31.6Very low34.3Very low69 Ų69136.7 Ų136.771%0.71179%0.785SS**  trans-108.610817300000111.3K10G8-K10 PolarHBondContact O-N 3.22Å
9A33.6Very low34.1Very low98 Ų98136.5 Ų136.581%0.8179%0.79SS**  trans-67.3120.2172.500000111.1
10K35.1Very low34.2Very low211 Ų211136.5 Ų136.592%0.91779%0.787SS**  trans-83.9109.8171.2-74.6-179.7175.5177.10109.7G8G8-K10 PolarHBondContact O-N 3.22Å
11K31.4Very low34.3Very low208 Ų208131.2 Ų131.290%0.90476%0.762SS**PPolyproline II helixtrans-65.9130.9168.9-76-179.6173.4179.70110.1
12A33.4Very low34.3Very low104 Ų104125.6 Ų125.686%0.8673%0.732SS**PPolyproline II helixtrans-72.7133.7172.700000110.7
13A34Very low34.1Very low68 Ų68118.7 Ų118.756%0.56270%0.703SS**PPolyproline II helixtrans-80.9131.1176.300000110.3W15A13-W15 PolarHBondContact O-NE1 3.03Å
14A30.5Very low33.9Very low99 Ų99116.8 Ų116.882%0.81869%0.693SS**PPolyproline II helixtrans-78.3139.3173.100000110.5
15W32.7Very low34Very low126 Ų126119.7 Ų119.748%0.47768%0.679SS.*  trans-105.3129.1-178.2-56.592.3000110.7A13 V23 R25 L146A13-W15 PolarHBondContact O-NE1 3.03Å; W15-V23 HydrophobicContact CE3-CG1 3.6Å; W15-V23 HydrophobicContact CZ3-CG1 3.94Å; W15-R25 HydrophobicContact CE3-CB 4.5Å; W15-R25 HydrophobicContact CE3-CG 4.46Å; W15-R25 HydrophobicContact CH2-CB 4.17Å; W15-R25 VanDerWaalsContact CH2-CD 3.44Å; W15-R25 HydrophobicContact CH2-CG 3.5Å; W15-R25 HydrophobicContact CZ3-CB 3.6Å; W15-R25 HydrophobicContact CZ3-CG 3.44Å; W15-R25 VanDerWaalsContact CZ3-CG 3.44Å; W15-L146 HydrophobicContact CH2-CD1 4.44Å; W15-L146 HydrophobicContact CZ3-CD1 4.27Å
16V31.2Very low34Very low104 Ų104118.6 Ų118.663%0.6367%0.674SS**EExtended strand (participates in β ladder)trans-110.1115.5172.2-178.20000108.3
17V34.6Very low33.8Very low92 Ų92115.5 Ų115.556%0.55866%0.661SS**EExtended strand (participates in β ladder)trans-90.9116.5171.3-176.30000107.9V23V17-V23 HydrophobicContact CG2-CG2 4.35Å
18S33.6Very low33.7Very low55 Ų55114.9 Ų114.939%0.38566%0.664SS.*  trans-80.3154.4174.6-72.10000111N20 G21 Q22S18-N20 PolarHBondContact O-N 3.47Å; S18-G21 PolarHBondContact O-N 3.49Å; S18-Q22 PolarHBondContact N-O 2.86Å
19P30.8Very low33.7Very low134 Ų134117.8 Ų117.887%0.8767%0.667SS**THydrogen-bonded Turntrans-58.5-8.9-176.218.2-30.2000115.9
20N36.5Very low33.6Very low136 Ų136122.6 Ų122.673%0.72767%0.673SS**THydrogen-bonded Turntrans-95.616172.6-68.7-4.5000113.8S18 Q22S18-N20 PolarHBondContact O-N 3.47Å; N20-Q22 VanDerWaalsContact C-N 3.27Å; N20-Q22 PolarHBondContact O-N 2.83Å
21G35.7Very low33.3Very low25 Ų25117.3 Ų117.326%0.25867%0.668SS.*SBendtrans7118.2177.900000114.6S18 Q162S18-G21 PolarHBondContact O-N 3.49Å; G21-Q162 PolarHBondContact O-NE2 2.85Å
22Q36.9Very low33.6Very low123 Ų123112.5 Ų112.558%0.57567%0.667SS**  trans-85.6121.6173.2-69.6-167.8-86.300110.4S18 N20S18-Q22 PolarHBondContact N-O 2.86Å; N20-Q22 VanDerWaalsContact C-N 3.27Å; N20-Q22 PolarHBondContact O-N 2.83Å
23V34.2Very low33.4Very low49 Ų49118 Ų11830%0.29767%0.666SS.*EExtended strand (participates in β ladder)trans-92.4106.6165.8-176.20000107.3W15 V17 L146W15-V23 HydrophobicContact CE3-CG1 3.6Å; W15-V23 HydrophobicContact CZ3-CG1 3.94Å; V17-V23 HydrophobicContact CG2-CG2 4.35Å; V23-L146 HydrophobicContact CG1-CD1 4.23Å
24K35.4Very low33.5Very low156 Ų156118.6 Ų118.668%0.67868%0.678SS**EExtended strand (participates in β ladder)trans-90113.3175.8-168178.6179.5-172.50109
25R35.9Very low33.5Very low139 Ų139121.4 Ų121.453%0.52567%0.674SS.*  trans-90.4114.2167.8-160.2175.2-179178.8-5.7108.4W15 M27W15-R25 HydrophobicContact CE3-CB 4.5Å; W15-R25 HydrophobicContact CE3-CG 4.46Å; W15-R25 HydrophobicContact CH2-CB 4.17Å; W15-R25 VanDerWaalsContact CH2-CD 3.44Å; W15-R25 HydrophobicContact CH2-CG 3.5Å; W15-R25 HydrophobicContact CZ3-CB 3.6Å; W15-R25 HydrophobicContact CZ3-CG 3.44Å; W15-R25 VanDerWaalsContact CZ3-CG 3.44Å; R25-M27 HydrophobicContact CG-CG 4.29Å; R25-M27 PolarHBondContact O-N 3.08Å
26E35.3Very low33.7Very low175 Ų175118.9 Ų118.982%0.81869%0.687SS**  trans-72.7114.2165.8-75.6-171.1127.700108.6
27M33.4Very low33.9Very low133 Ų133119 Ų11966%0.65570%0.699SS**  trans-111.4122.5171.1-78.9-175.9141.800109.2R25R25-M27 HydrophobicContact CG-CG 4.29Å; R25-M27 PolarHBondContact O-N 3.08Å
28A31.4Very low34Very low109 Ų109119.1 Ų119.190%0.90171%0.71SS**  trans-68.6131.7166.500000109.5
29V31.8Very low34.3Very low129 Ų129121.5 Ų121.578%0.78273%0.733SS**  trans-93.2126.2-177.4172.70000110
30E31.4Very low34.6Very low200 Ų200119.4 Ų119.494%0.93573%0.727SS**  trans-116130.3152.9-77-145.7117.800109.2
31A30.4Very low34.6Very low99 Ų99118.2 Ų118.282%0.81874%0.736SS**  trans-100.4134.9-177.600000110.7
32A36.3Very low34.6Very low107 Ų107121 Ų12188%0.88477%0.765SS**  trans-126.6132.9164.700000110.1
33R30.4Very low34.4Very low221 Ų221120.5 Ų120.583%0.83478%0.781SS**  trans-100.4144-169.5-179.9-176.9171-169.3-0.7110.1E35R33-E35 IonicContact CZ-OE2 2.83Å; R33-E35 VanDerWaalsContact CZ-OE2 3.29Å; R33-E35 IonicContact NE-OE2 3.99Å; R33-E35 PolarHBondContact NE-OE2 3.27Å; R33-E35 IonicContact NH2-OE2 3.87Å; R33-E35 PolarHBondContact NH2-OE2 3.33Å
34G35.2Very low34.4Very low79 Ų79122 Ų12281%0.81481%0.806SS**  trans-166.2119.5169.100000112.7
35E31.6Very low34.3Very low159 Ų159123.5 Ų123.574%0.74382%0.816SS**  trans-101.8158.3-174-71.5161.878.700112.5R33R33-E35 IonicContact CZ-OE2 2.83Å; R33-E35 VanDerWaalsContact CZ-OE2 3.29Å; R33-E35 IonicContact NE-OE2 3.99Å; R33-E35 PolarHBondContact NE-OE2 3.27Å; R33-E35 IonicContact NH2-OE2 3.87Å; R33-E35 PolarHBondContact NH2-OE2 3.33Å
36G35Very low34.4Very low72 Ų72126.4 Ų126.474%0.74284%0.836SS**  trans149.198.2161.200000113.8
37A37.3Very low34.2Very low107 Ų107127.4 Ų127.488%0.88484%0.84SS**  83.9145.190.100000113.9
38A35.9Very low34.3Very low95 Ų95130.4 Ų130.479%0.78585%0.853SS**  cis-175.7159.5-24.400000107.3
39A39.3Very low34.4Very low104 Ų104134.3 Ų134.386%0.8685%0.852SS**  trans74.9151.3159.200000119.9
40A38.5Very low34.3Very low90 Ų90134.7 Ų134.774%0.74485%0.854SS**  cis-170.9128.8-21.300000105.8
41A35.8Very low34.5Very low112 Ų112134.5 Ų134.593%0.92685%0.854SS**  68.5126.9111.900000118.8
42G34.7Very low34.7Very low84 Ų84134.2 Ų134.287%0.86685%0.851SS**  trans170.3102.4165.100000112.8
43A33.3Very low34.5Very low111 Ų111133.1 Ų133.192%0.91785%0.851SS**  trans-89.3156.5-179.200000112.8
44G35.5Very low34.7Very low80 Ų80125.9 Ų125.983%0.82585%0.845SS**  trans-170.6103.8167.300000109.2
45E31.9Very low34.8Very low189 Ų189131.8 Ų131.888%0.88385%0.853SS**  trans-94.4132.5174.4-65.7171.1150.900108.6
46E38Very low35Very low200 Ų200131.6 Ų131.694%0.93586%0.856SS**  trans-136.3120.8157.8-69.9-173.4157.600108
47E32Very low35.1Very low195 Ų195133.3 Ų133.391%0.91186%0.863SS**  trans-86.2135.6174.9-62176.8139.600109.3
48E34.8Very low34.9Very low197 Ų197132.7 Ų132.792%0.92186%0.858SS**  trans-138.9145.2156.3-154.7-178135.800111
49E33.4Very low35Very low191 Ų191132.6 Ų132.689%0.89386%0.857SS**  trans-74.5166.2-160.3-73.8179.111700117
50V29.6Very low34.8Very low136 Ų136135.2 Ų135.282%0.82486%0.862SS**  trans-61.7139.2-178.9177.10000114.2
51Q35.2Very low34.5Very low197 Ų197134.1 Ų134.192%0.92186%0.859SS**  trans-143.3133.8139.5-157.2156.513.300113.1
52A35.1Very low34.6Very low92 Ų92136.7 Ų136.776%0.7686%0.858SS**  trans-82.2157-168.300000114.6
53G33Very low34.6Very low85 Ų85136 Ų13688%0.87685%0.851SS**  trans103.982.913800000116.7
54G34.8Very low35.1Very low69 Ų69140.5 Ų140.571%0.71185%0.85SS**  trans-163.2100.6163.300000111.2I56G54-I56 PolarHBondContact O-N 3.47Å
55M35.4Very low36.2Very low202 Ų202146 Ų146100%0.99585%0.854SS**  trans-69.1106.4167.2-86.3-177.1-90.700108.6
56I37.1Very low37.9Very low156 Ų156139.8 Ų139.880%0.884%0.841SS**  trans-114.6126.416253.2171.4000108.3G54 A58G54-I56 PolarHBondContact O-N 3.47Å; I56-A58 PolarHBondContact O-N 3.28Å; I56-A58 VanDerWaalsContact O-N 3.14Å
57A35.7Very low40.1Very low108 Ų108136.9 Ų136.989%0.89384%0.836SS**  trans-62.2112.717300000108.5A59A57-A59 PolarHBondContact O-N 2.87Å; A57-A59 VanDerWaalsContact O-N 3.1Å
58A34.3Very low42.7Very low94 Ų94133.9 Ų133.978%0.77782%0.822SS**  trans-71.2106175.200000109I56 V60I56-A58 PolarHBondContact O-N 3.28Å; I56-A58 VanDerWaalsContact O-N 3.14Å; A58-V60 PolarHBondContact O-N 3.13Å
59A37.2Very low45.2Very low93 Ų93130.9 Ų130.977%0.76981%0.811SS**  trans-57.9117.3156.700000107.7A57 G61A57-A59 PolarHBondContact O-N 2.87Å; A57-A59 VanDerWaalsContact O-N 3.1Å; A59-G61 VanDerWaalsContact C-N 3.33Å; A59-G61 PolarHBondContact O-N 2.78Å
60V35.4Very low47.8Very low159 Ų159127.6 Ų127.696%0.96481%0.809SS**  trans-73.493.5170.2-104.20000107.5A58A58-V60 PolarHBondContact O-N 3.13Å
61G32.5Very low50.7Low66 Ų66125.5 Ų125.568%0.6880%0.796SS**  trans-173.183.5174.400000109.1A59A59-G61 VanDerWaalsContact C-N 3.33Å; A59-G61 PolarHBondContact O-N 2.78Å
62D38.7Very low53.4Low167 Ų167128.1 Ų128.189%0.89380%0.798SS**  -167.5142.3126.9-131.8-21.1000110.6F64D62-F64 PolarHBondContact O-N 2.77Å
63G33.7Very low56Low70 Ų70127.2 Ų127.272%0.72278%0.78SS**  trans-73.9115.1-169.100000113.4
64F44.2Very low58.7Low204 Ų204128.5 Ų128.590%0.89577%0.766SS**  trans-82.2113.4137.2-82.6-93.8000106.2D62 G66D62-F64 PolarHBondContact O-N 2.77Å; F64-G66 PolarHBondContact O-N 2.87Å
65E57.3Low61.1Low197 Ų197128.8 Ų128.892%0.92175%0.751SS**  trans-6291.6165.6-150.9176.7139.200106.3V67E65-V67 PolarHBondContact O-N 2.82Å
66G68.4Low63.6Low58 Ų58122 Ų12260%0.59873%0.728SS**  trans-60.7127.5-170.100000109.9F64 E68F64-G66 PolarHBondContact O-N 2.87Å; G66-E68 PolarHBondContact O-N 2.87Å
67V84Confident66.2Low139 Ų139119 Ų11984%0.84272%0.716SS**  trans-68.5105.7171.6-179.60000107.8E65E65-V67 PolarHBondContact O-N 2.82Å
68E86.1Confident68.9Low131 Ų131114.7 Ų114.761%0.61268%0.678SS**  trans-81.6138.9174.2-66.6-169160.200110.2G66 K139G66-E68 PolarHBondContact O-N 2.87Å; E68-K139 IonicContact OE1-NZ 3.12Å; E68-K139 PolarHBondContact OE1-NZ 2.93Å
69I87.8Confident71.7Confident135 Ų135112.3 Ų112.369%0.69265%0.651SS**  trans-115.2141.8173.160.6168.9000110.1V71I69-V71 HydrophobicContact CD1-CG1 3.83Å; I69-V71 HydrophobicContact CG1-CG1 4.14Å
70S89.1Confident74.5Confident121 Ų121107.9 Ų107.985%0.84661%0.614SS**  trans-89.8120171.5-71.10000110.1
71V90.2Very high77.2Confident92 Ų92103.8 Ų103.856%0.55859%0.591SS**  trans-121.8147.7178.1-64.90000110.6I69 I73I69-V71 HydrophobicContact CD1-CG1 3.83Å; I69-V71 HydrophobicContact CG1-CG1 4.14Å; V71-I73 HydrophobicContact CG2-CD1 3.8Å; V71-I73 HydrophobicContact CG2-CG1 4.01Å
72R90.6Very high80Confident252 Ų252103.7 Ų103.795%0.95157%0.574SS**  trans-101.9116.1173-61.7-179.975.9114.4-0.5108.4
73I89.6Confident82.6Confident74 Ų7498 Ų9838%0.37955%0.547SS..  trans-122.1138.1179.4-55.8173.2000107.2V71 L75 V77 L78 F134V71-I73 HydrophobicContact CG2-CD1 3.8Å; V71-I73 HydrophobicContact CG2-CG1 4.01Å; I73-L75 PolarHBondContact O-N 2.71Å; I73-V77 HydrophobicContact CG2-CB 4.28Å; I73-L78 HydrophobicContact CG2-CG 4.39Å; I73-F134 HydrophobicContact CD1-CE1 4.45Å; I73-F134 HydrophobicContact CD1-CZ 3.77Å
74D90.5Very high85.5Confident112 Ų112100.5 Ų100.560%0.59954%0.544SS*.  trans-62.8122.8169.7-177.7-14000109.1A76 V77D74-A76 PolarHBondContact O-N 3.4Å; D74-A76 VanDerWaalsContact O-N 3.14Å; D74-A76 WeakPolarHBondContact OD1-CB 3.41Å; D74-A76 PolarHBondContact OD1-N 2.88Å; D74-V77 HydrophobicContact CB-CG2 3.99Å; D74-V77 VanDerWaalsContact O-CB 3.25Å; D74-V77 WeakPolarHBondContact O-CB 3.47Å; D74-V77 PolarHBondContact O-N 3.14Å
75L85.7Confident87.8Confident74 Ų7496.1 Ų96.139%0.38753%0.529SS..G310 helixtrans-54.9-34.8-177.5-155.967.8000112.4I73 V77 L78 H79 Y155I73-L75 PolarHBondContact O-N 2.71Å; L75-V77 PolarHBondContact O-N 3.25Å; L75-L78 PolarHBondContact O-N 2.86Å; L75-H79 PolarHBondContact O-N 2.78Å; L75-Y155 HydrophobicContact CD1-CD2 3.94Å; L75-Y155 HydrophobicContact CD1-CE2 3.19Å; L75-Y155 HydrophobicContact CG-CE2 3.98Å
76A88Confident89.5Confident61 Ų6189 Ų8950%0.50450%0.5SS..G310 helixtrans-62.1-25.4179.700000112.5D74 L78 H79D74-A76 PolarHBondContact O-N 3.4Å; D74-A76 VanDerWaalsContact O-N 3.14Å; D74-A76 WeakPolarHBondContact OD1-CB 3.41Å; D74-A76 PolarHBondContact OD1-N 2.88Å; A76-L78 PolarHBondContact O-N 3.06Å; A76-H79 PolarHBondContact O-N 3.26Å
77V91.4Very high90.8Very high93 Ų9386.3 Ų86.356%0.56447%0.471SS*.G310 helixtrans-68.4-26.3176.4179.10000111.6I73 D74 L75I73-V77 HydrophobicContact CG2-CB 4.28Å; D74-V77 HydrophobicContact CB-CG2 3.99Å; D74-V77 VanDerWaalsContact O-CB 3.25Å; D74-V77 WeakPolarHBondContact O-CB 3.47Å; D74-V77 PolarHBondContact O-N 3.14Å; L75-V77 PolarHBondContact O-N 3.25Å
78L92.8Very high91.3Very high16 Ų1684.1 Ų84.18%0.08445%0.451CS..G310 helixtrans-97.64178.2-53.2-178.7000112.8I73 L75 A76 L87 F134 L135 Y155I73-L78 HydrophobicContact CG2-CG 4.39Å; L75-L78 PolarHBondContact O-N 2.86Å; A76-L78 PolarHBondContact O-N 3.06Å; L78-L87 VanDerWaalsContact O-CB 3.32Å; L78-L87 WeakPolarHBondContact O-CB 3.19Å; L78-L87 WeakPolarHBondContact O-CG 3.42Å; L78-L87 PolarHBondContact O-N 3.06Å; L78-F134 HydrophobicContact CD2-CE1 3.95Å; L78-L135 HydrophobicContact CD2-CD2 4.1Å; L78-Y155 HydrophobicContact CB-CD1 4Å; L78-Y155 HydrophobicContact CB-CE1 3.29Å; L78-Y155 HydrophobicContact CD1-CD1 3.79Å; L78-Y155 HydrophobicContact CD1-CD2 4.44Å; L78-Y155 HydrophobicContact CD1-CE1 3.89Å; L78-Y155 HydrophobicContact CD1-CG 4.05Å; L78-Y155 HydrophobicContact CG-CE1 4.24Å
79H93.7Very high91.7Very high44 Ų4479 Ų7920%0.20443%0.428CS..BIsolated β-bridgetrans-90.6148.6173-71.3175.1000111.4L75 A76 L84 L85 Y155L75-H79 PolarHBondContact O-N 2.78Å; A76-H79 PolarHBondContact O-N 3.26Å; H79-L84 PolarHBondContact ND1-O 3.33Å; H79-L85 CarbonylContact C-O 3.46Å; H79-L85 WeakPolarHBondContact CA-O 3.46Å; H79-Y155 PolarHBondContact CD2-OH 3.17Å; H79-Y155 PolarHBondContact NE2-OH 2.96Å
80C94.5Very high92.1Very high0 Ų074.1 Ų74.10%041%0.406CS..  trans-63.5124169.2179.30000108.6L82 C83 L84 L85 L87 C101C80-L82 PolarHBondContact O-N 2.81Å; C80-C83 VanDerWaalsContact CB-SG 3.57Å; C80-C83 PolarHBondContact O-N 2.98Å; C80-L84 WeakPolarHBondContact O-CA 3.44Å; C80-L84 PolarHBondContact O-N 3.08Å; C80-L85 PolarHBondContact N-O 2.85Å; C80-L87 HydrophobicContact CB-CD2 3.86Å; C80-L87 HydrophobicContact CB-CG 4.49Å; C80-C101 HydrophobicContact CB-CB 3.94Å; C80-C101 PolarHBondContact SG-N 3.47Å
81P92.4Very high92.4Very high74 Ų7468.4 Ų68.448%0.48137%0.366SS..THydrogen-bonded Turntrans-66.8-12.4-178.327.2-35.2000113.3L99P81-L99 VanDerWaalsContact CD-O 3.31Å; P81-L99 WeakPolarHBondContact CD-O 3.44Å; P81-L99 HydrophobicContact CG-CB 4.47Å; P81-L99 WeakPolarHBondContact CG-O 3.31Å
82L91Very high92.7Very high63 Ų6365.2 Ų65.233%0.3334%0.344SS..THydrogen-bonded Turntrans-91.3-40.5-178.1-56.9173.4000113C80 A100 C104 H114C80-L82 PolarHBondContact O-N 2.81Å; L82-A100 HydrophobicContact CD1-CB 3.92Å; L82-C104 HydrophobicContact CB-CB 4.01Å; L82-C104 HydrophobicContact CD1-CB 3.61Å; L82-C104 HydrophobicContact CG-CB 4.44Å; L82-H114 HydrophobicContact CD2-CB 4.13Å
83C93.8Very high92.9Very high48 Ų4856.8 Ų56.832%0.32432%0.315SS..THydrogen-bonded Turntrans-116.7-5-178.666.70000114.5C80 L85 C104C80-C83 VanDerWaalsContact CB-SG 3.57Å; C80-C83 PolarHBondContact O-N 2.98Å; C83-L85 HydrophobicContact CB-CG 4.47Å; C83-L85 PolarHBondContact O-N 2.81Å; C83-L85 VanDerWaalsContact O-N 3.13Å; C83-C104 VanDerWaalsContact SG-SG 3.65Å
84L93.5Very high93.1Very high123 Ų12353.5 Ų53.564%0.64430%0.299SS*.  trans60.117.4-179.4-49.1179.1000114.8H79 C80H79-L84 PolarHBondContact ND1-O 3.33Å; C80-L84 WeakPolarHBondContact O-CA 3.44Å; C80-L84 PolarHBondContact O-N 3.08Å
85L93.1Very high93.1Very high112 Ų11253.3 Ų53.359%0.58631%0.313SS*.SBendtrans-93.2155173.4-60.7176.7000111.3H79 C80 C83 L87H79-L85 CarbonylContact C-O 3.46Å; H79-L85 WeakPolarHBondContact CA-O 3.46Å; C80-L85 PolarHBondContact N-O 2.85Å; C83-L85 HydrophobicContact CB-CG 4.47Å; C83-L85 PolarHBondContact O-N 2.81Å; C83-L85 VanDerWaalsContact O-N 3.13Å; L85-L87 PolarHBondContact O-N 3.15Å
86P93Very high93.3Very high47 Ų4753.1 Ų53.131%0.30532%0.322SS..BIsolated β-bridgetrans-49.9129.3175.8-28.535.7000113.6K88 Y155P86-K88 PolarHBondContact O-N 3.01Å; P86-Y155 HydrophobicContact CB-CE1 3.94Å
87L95.4Very high93.5Very high1 Ų151.8 Ų51.81%0.00531%0.314CS..PPolyproline II helixtrans-64.1121.7171.3-72.7169.2000109.1L78 C80 L85 T91 L99 C101 L131 L135L78-L87 VanDerWaalsContact O-CB 3.32Å; L78-L87 WeakPolarHBondContact O-CB 3.19Å; L78-L87 WeakPolarHBondContact O-CG 3.42Å; L78-L87 PolarHBondContact O-N 3.06Å; C80-L87 HydrophobicContact CB-CD2 3.86Å; C80-L87 HydrophobicContact CB-CG 4.49Å; L85-L87 PolarHBondContact O-N 3.15Å; L87-T91 HydrophobicContact CB-CG2 4.01Å; L87-T91 HydrophobicContact CD2-CG2 4.25Å; L87-L99 HydrophobicContact CD1-CD1 3.9Å; L87-C101 HydrophobicContact CD2-CB 4.07Å; L87-L131 HydrophobicContact CD1-CD2 4.31Å; L87-L135 HydrophobicContact CB-CD1 3.68Å; L87-L135 HydrophobicContact CB-CD2 4.47Å
88K94.8Very high93.6Very high94 Ų9450.3 Ų50.341%0.40930%0.301SS..  trans-110.5136.6172.3-51.1-142.3176.6-161.80109.2P86 P90 H156 D157P86-K88 PolarHBondContact O-N 3.01Å; K88-P90 CarbonylContact O-C 3.59Å; K88-H156 HydrophobicContact CB-CB 4.47Å; K88-H156 HydrophobicContact CD-CB 4.17Å; K88-H156 WeakPolarHBondContact CE-O 3.41Å; K88-H156 HydrophobicContact CG-CB 3.94Å; K88-H156 PolarHBondContact NZ-O 3.01Å; K88-D157 IonicContact NZ-OD1 2.94Å; K88-D157 PolarHBondContact NZ-OD1 2.86Å
89P95.1Very high93.6Very high22 Ų2251.2 Ų51.214%0.14331%0.306CS..SBendtrans-56.3137.2168.1-25.734.8000111.6D132 L135 R136P89-D132 HydrophobicContact CB-CB 4.02Å; P89-D132 HydrophobicContact CG-CB 4.32Å; P89-L135 HydrophobicContact CG-CB 4.06Å; P89-R136 HydrophobicContact CG-CG 3.95Å
90P95.8Very high93.7Very high34 Ų3449.1 Ų49.122%0.22130%0.296CS..SBendcis-79.5140.5-0.930.9-30.7000113.3K88 Y92 S102 R127 D132K88-P90 CarbonylContact O-C 3.59Å; P90-Y92 HydrophobicContact CG-CE2 4.45Å; P90-S102 WeakPolarHBondContact CD-OG 3.37Å; P90-S102 WeakPolarHBondContact CG-OG 3.4Å; P90-S102 PolarHBondContact O-OG 2.81Å; P90-R127 VanDerWaalsContact CB-NH1 3.35Å; P90-D132 WeakPolarHBondContact CA-OD2 3.32Å
91T96.1Very high93.7Very high0 Ų049.8 Ų49.80%030%0.3CS..  trans-105.4156.6176.160.20000111.6L87 R127 C128 L131 D132 L135L87-T91 HydrophobicContact CB-CG2 4.01Å; L87-T91 HydrophobicContact CD2-CG2 4.25Å; T91-R127 WeakPolarHBondContact O-CA 3.39Å; T91-C128 PolarHBondContact O-N 3.46Å; T91-L131 HydrophobicContact CG2-CD2 4.25Å; T91-L131 HydrophobicContact CG2-CG 4.45Å; T91-D132 WeakPolarHBondContact CB-OD1 3.34Å; T91-D132 WeakPolarHBondContact CG2-OD1 3.13Å; T91-D132 PolarHBondContact N-OD1 3.47Å; T91-D132 PolarHBondContact OG1-OD1 2.74Å; T91-L135 HydrophobicContact CG2-CD1 3.41Å; T91-L135 VanDerWaalsContact CG2-CD1 3.41Å
92Y95.6Very high93.8Very high26 Ų2648.3 Ų48.310%0.10229%0.292CS..EExtended strand (participates in β ladder)trans-127.1137.6-175.1-63.2-95.7000110.9P90 L99 A100 H105 A126 R127P90-Y92 HydrophobicContact CG-CE2 4.45Å; Y92-L99 CarbonylContact O-C 3.46Å; Y92-L99 VanDerWaalsContact O-CA 3.27Å; Y92-L99 WeakPolarHBondContact O-CA 3.39Å; Y92-A100 PolarHBondContact N-O 3.31Å; Y92-A100 PolarHBondContact O-N 3.4Å; Y92-H105 HydrophobicContact CD1-CB 4.38Å; Y92-H105 AromaticContact CD1-CD2 3.49Å; Y92-H105 VanDerWaalsContact CD1-CD2 3.49Å; Y92-H105 WeakPolarHBondContact CD1-CD2 3.31Å; Y92-H105 AromaticContact CD1-CE1 3.76Å; Y92-H105 AromaticContact CD1-CG 3.61Å; Y92-H105 AromaticContact CD1-ND1 3.78Å; Y92-H105 AromaticContact CD1-NE2 3.58Å; Y92-H105 HydrophobicContact CD2-CB 3.7Å; Y92-H105 AromaticContact CD2-CG 3.77Å; Y92-H105 AromaticContact CE1-CD2 3.93Å; Y92-H105 AromaticContact CE1-CE1 3.38Å; Y92-H105 WeakPolarHBondContact CE1-CE1 3.47Å; Y92-H105 AromaticContact CE1-CG 3.81Å; Y92-H105 AromaticContact CE1-ND1 3.46Å; Y92-H105 WeakPolarHBondContact CE1-ND1 3.42Å; Y92-H105 AromaticContact CE1-NE2 3.66Å; Y92-H105 HydrophobicContact CE2-CB 4.14Å; Y92-H105 AromaticContact CE2-CG 3.99Å; Y92-H105 AromaticContact CE2-ND1 3.83Å; Y92-H105 HydrophobicContact CG-CB 3.85Å; Y92-H105 AromaticContact CG-CD2 3.74Å; Y92-H105 AromaticContact CG-CG 3.59Å; Y92-H105 AromaticContact CZ-CE1 3.82Å; Y92-H105 AromaticContact CZ-CG 3.99Å; Y92-H105 AromaticContact CZ-ND1 3.49Å; Y92-A126 CarbonylContact C-O 3.56Å; Y92-A126 WeakPolarHBondContact CA-O 3.43Å; Y92-R127 HydrophobicContact CD1-CG 4.22Å; Y92-R127 HydrophobicContact CE1-CG 3.7Å
93Q94.8Very high94Very high75 Ų7549.3 Ų49.335%0.3530%0.304SS..EExtended strand (participates in β ladder)trans-134.8134.5-179.4-172.217427.600109.9G97 H98 L99 A126 C128Q93-G97 PolarHBondContact NE2-O 3.09Å; Q93-H98 VanDerWaalsContact CA-O 3.29Å; Q93-H98 WeakPolarHBondContact CA-O 3.33Å; Q93-L99 HydrophobicContact CB-CD2 3.8Å; Q93-L99 HydrophobicContact CG-CD2 3.77Å; Q93-A126 PolarHBondContact N-O 2.8Å; Q93-A126 PolarHBondContact O-N 3.21Å; Q93-C128 HydrophobicContact CB-CB 3.93Å; Q93-C128 PolarHBondContact OE1-SG 3.12Å
94C93.2Very high94Very high5 Ų547.9 Ų47.93%0.03429%0.294CS..  trans-85.6167.3171.476.10000111.1A96 G97 H98 C113 C116 V124 Y125C94-A96 PolarHBondContact O-N 2.96Å; C94-G97 PolarHBondContact O-N 3.06Å; C94-H98 PolarHBondContact N-O 3.12Å; C94-H98 VanDerWaalsContact SG-CB 3.6Å; C94-H98 PolarHBondContact SG-N 2.84Å; C94-H98 VanDerWaalsContact SG-N 3.42Å; C94-H98 PolarHBondContact SG-ND1 3.37Å; C94-C113 HydrophobicContact CB-CB 3.8Å; C94-C116 VanDerWaalsContact SG-SG 3.7Å; C94-V124 WeakPolarHBondContact CA-O 3.34Å; C94-Y125 HydrophobicContact CB-CD1 3.98Å; C94-Y125 HydrophobicContact CB-CE1 4.22Å
95A91.3Very high93.9Very high108 Ų10842.8 Ų42.889%0.89327%0.267SS*.THydrogen-bonded Turntrans-57.9-23.4179.300000114.5G97A95-G97 VanDerWaalsContact C-N 3.34Å
96A91Very high93.6Very high70 Ų7040.1 Ų40.158%0.57927%0.267SS*.THydrogen-bonded Turntrans-870.1175.400000113.9C94C94-A96 PolarHBondContact O-N 2.96Å
97G91.3Very high93.2Very high33 Ų3344.1 Ų44.134%0.3429%0.285SS..  trans94.7-7.6176.200000116.2Q93 C94 A95 L99Q93-G97 PolarHBondContact NE2-O 3.09Å; C94-G97 PolarHBondContact O-N 3.06Å; A95-G97 VanDerWaalsContact C-N 3.34Å; G97-L99 PolarHBondContact O-N 3.3Å
98H92.5Very high92.4Very high62 Ų6244.7 Ų44.729%0.28729%0.289SS..  trans-62.9136.8176.4-54.1114000111.7Q93 C94 C113 T115 C116 Y125Q93-H98 VanDerWaalsContact CA-O 3.29Å; Q93-H98 WeakPolarHBondContact CA-O 3.33Å; C94-H98 PolarHBondContact N-O 3.12Å; C94-H98 VanDerWaalsContact SG-CB 3.6Å; C94-H98 PolarHBondContact SG-N 2.84Å; C94-H98 VanDerWaalsContact SG-N 3.42Å; C94-H98 PolarHBondContact SG-ND1 3.37Å; H98-C113 VanDerWaalsContact CB-SG 3.6Å; H98-C113 PolarHBondContact ND1-SG 2.98Å; H98-C113 VanDerWaalsContact ND1-SG 3.43Å; H98-T115 VanDerWaalsContact NE2-CG2 3.26Å; H98-T115 WeakPolarHBondContact NE2-CG2 3.33Å; H98-C116 PolarHBondContact ND1-SG 3.34Å; H98-Y125 HydrophobicContact CB-CE1 4.35Å; H98-Y125 WeakPolarHBondContact O-CE1 3.38Å
99L94.2Very high91.6Very high35 Ų3545.5 Ų45.518%0.18330%0.304CS..EExtended strand (participates in β ladder)trans-101.3152.2-176.8-59.7177.6000112.3P81 L87 Y92 Q93 G97 L131P81-L99 VanDerWaalsContact CD-O 3.31Å; P81-L99 WeakPolarHBondContact CD-O 3.44Å; P81-L99 HydrophobicContact CG-CB 4.47Å; P81-L99 WeakPolarHBondContact CG-O 3.31Å; L87-L99 HydrophobicContact CD1-CD1 3.9Å; Y92-L99 CarbonylContact O-C 3.46Å; Y92-L99 VanDerWaalsContact O-CA 3.27Å; Y92-L99 WeakPolarHBondContact O-CA 3.39Å; Q93-L99 HydrophobicContact CB-CD2 3.8Å; Q93-L99 HydrophobicContact CG-CD2 3.77Å; G97-L99 PolarHBondContact O-N 3.3Å; L99-L131 HydrophobicContact CD1-CD2 3.87Å; L99-L131 HydrophobicContact CD2-CD2 3.68Å; L99-L131 HydrophobicContact CG-CD2 4.4Å
100A94.4Very high90.8Very high0 Ų047.3 Ų47.30%033%0.327CS..EExtended strand (participates in β ladder)trans-144.5144.1168.900000110.5L82 Y92 H105 Y125L82-A100 HydrophobicContact CD1-CB 3.92Å; Y92-A100 PolarHBondContact N-O 3.31Å; Y92-A100 PolarHBondContact O-N 3.4Å; A100-H105 HydrophobicContact CB-CB 4.3Å; A100-Y125 HydrophobicContact CB-CD1 4.18Å; A100-Y125 HydrophobicContact CB-CD2 4.32Å; A100-Y125 HydrophobicContact CB-CE1 3.87Å; A100-Y125 HydrophobicContact CB-CE2 3.96Å; A100-Y125 HydrophobicContact CB-CG 4.43Å
101C95.5Very high90.1Very high13 Ų1351.4 Ų51.49%0.08834%0.341CS..  trans-75.4167.2167.4720000110.7C80 L87 S103 C104 H105C80-C101 HydrophobicContact CB-CB 3.94Å; C80-C101 PolarHBondContact SG-N 3.47Å; L87-C101 HydrophobicContact CD2-CB 4.07Å; C101-S103 VanDerWaalsContact C-N 3.32Å; C101-S103 PolarHBondContact O-N 3.29Å; C101-C104 PolarHBondContact O-N 3.14Å; C101-C104 PolarHBondContact SG-N 3.11Å; C101-C104 VanDerWaalsContact SG-N 3.42Å; C101-H105 VanDerWaalsContact O-CB 3.26Å; C101-H105 WeakPolarHBondContact O-CB 3.33Å; C101-H105 PolarHBondContact O-N 3.49Å
102S94.6Very high89.7Confident44 Ų4457.6 Ų57.631%0.30837%0.368SS..Hα-helixtrans-52.9-44.7177.8-74.30000113.9P90 G106P90-S102 WeakPolarHBondContact CD-OG 3.37Å; P90-S102 WeakPolarHBondContact CG-OG 3.4Å; P90-S102 PolarHBondContact O-OG 2.81Å; S102-G106 PolarHBondContact O-N 3.35Å
103S94.2Very high89.4Confident84 Ų8456.6 Ų56.659%0.58737%0.365SS*.Hα-helixtrans-64-55.6180-52.70000111.1C101 H105 G106 D107C101-S103 VanDerWaalsContact C-N 3.32Å; C101-S103 PolarHBondContact O-N 3.29Å; S103-H105 VanDerWaalsContact C-N 3.26Å; S103-H105 PolarHBondContact O-N 2.88Å; S103-G106 WeakPolarHBondContact O-CA 3.46Å; S103-G106 PolarHBondContact O-N 2.81Å; S103-D107 PolarHBondContact O-N 2.85Å
104C93.7Very high88.8Confident17 Ų1758.1 Ų58.112%0.11537%0.371CS..Hα-helixtrans-62.5-33.8-179.8-62.90000112.6L82 C83 C101 V108L82-C104 HydrophobicContact CB-CB 4.01Å; L82-C104 HydrophobicContact CD1-CB 3.61Å; L82-C104 HydrophobicContact CG-CB 4.44Å; C83-C104 VanDerWaalsContact SG-SG 3.65Å; C101-C104 PolarHBondContact O-N 3.14Å; C101-C104 PolarHBondContact SG-N 3.11Å; C101-C104 VanDerWaalsContact SG-N 3.42Å; C104-V108 WeakPolarHBondContact O-CG2 3.16Å
105H91.5Very high88.5Confident17 Ų1761.8 Ų61.88%0.07939%0.394CS..Hα-helixtrans-65.9-40.4172.5165.9-93.1000112.3Y92 A100 C101 S103 D107 V108Y92-H105 HydrophobicContact CD1-CB 4.38Å; Y92-H105 AromaticContact CD1-CD2 3.49Å; Y92-H105 VanDerWaalsContact CD1-CD2 3.49Å; Y92-H105 WeakPolarHBondContact CD1-CD2 3.31Å; Y92-H105 AromaticContact CD1-CE1 3.76Å; Y92-H105 AromaticContact CD1-CG 3.61Å; Y92-H105 AromaticContact CD1-ND1 3.78Å; Y92-H105 AromaticContact CD1-NE2 3.58Å; Y92-H105 HydrophobicContact CD2-CB 3.7Å; Y92-H105 AromaticContact CD2-CG 3.77Å; Y92-H105 AromaticContact CE1-CD2 3.93Å; Y92-H105 AromaticContact CE1-CE1 3.38Å; Y92-H105 WeakPolarHBondContact CE1-CE1 3.47Å; Y92-H105 AromaticContact CE1-CG 3.81Å; Y92-H105 AromaticContact CE1-ND1 3.46Å; Y92-H105 WeakPolarHBondContact CE1-ND1 3.42Å; Y92-H105 AromaticContact CE1-NE2 3.66Å; Y92-H105 HydrophobicContact CE2-CB 4.14Å; Y92-H105 AromaticContact CE2-CG 3.99Å; Y92-H105 AromaticContact CE2-ND1 3.83Å; Y92-H105 HydrophobicContact CG-CB 3.85Å; Y92-H105 AromaticContact CG-CD2 3.74Å; Y92-H105 AromaticContact CG-CG 3.59Å; Y92-H105 AromaticContact CZ-CE1 3.82Å; Y92-H105 AromaticContact CZ-CG 3.99Å; Y92-H105 AromaticContact CZ-ND1 3.49Å; A100-H105 HydrophobicContact CB-CB 4.3Å; C101-H105 VanDerWaalsContact O-CB 3.26Å; C101-H105 WeakPolarHBondContact O-CB 3.33Å; C101-H105 PolarHBondContact O-N 3.49Å; S103-H105 VanDerWaalsContact C-N 3.26Å; S103-H105 PolarHBondContact O-N 2.88Å; H105-D107 VanDerWaalsContact C-N 3.31Å; H105-V108 PolarHBondContact O-N 2.78Å
106G88.3Confident88.2Confident56 Ų5657.5 Ų57.558%0.57736%0.357SS*.Hα-helixtrans-66.3-32178.300000113.5S102 S103 V108S102-G106 PolarHBondContact O-N 3.35Å; S103-G106 WeakPolarHBondContact O-CA 3.46Å; S103-G106 PolarHBondContact O-N 2.81Å; G106-V108 VanDerWaalsContact C-N 3.31Å; G106-V108 PolarHBondContact O-N 2.9Å
107D85Confident87Confident130 Ų13057.5 Ų57.570%0.69536%0.364SS*.THydrogen-bonded Turntrans-78.4-10.6-179.1-63.5-31.2000113.6S103 H105 P109S103-D107 PolarHBondContact O-N 2.85Å; H105-D107 VanDerWaalsContact C-N 3.31Å; D107-P109 WeakPolarHBondContact O-CD 3.28Å
108V78.7Confident85.6Confident14 Ų1459.9 Ų59.99%0.08539%0.388CS..SBendtrans-89.6121.5-177.4-157.50000112.6C104 H105 G106 G110 K111 K112 H114C104-V108 WeakPolarHBondContact O-CG2 3.16Å; H105-V108 PolarHBondContact O-N 2.78Å; G106-V108 VanDerWaalsContact C-N 3.31Å; G106-V108 PolarHBondContact O-N 2.9Å; V108-G110 PolarHBondContact O-N 2.91Å; V108-G110 VanDerWaalsContact O-N 3.17Å; V108-K111 PolarHBondContact O-N 2.99Å; V108-K111 VanDerWaalsContact O-N 3.09Å; V108-K112 VanDerWaalsContact CG1-O 3.3Å; V108-K112 WeakPolarHBondContact CG1-O 3.3Å; V108-H114 WeakPolarHBondContact CG2-NE2 3.44Å
109P77.8Confident83.6Confident111 Ų11159.7 Ų59.772%0.72140%0.404SS*.G310 helixtrans-56.2123.4171.5-25.135000111.8D107 K111D107-P109 WeakPolarHBondContact O-CD 3.28Å; P109-K111 VanDerWaalsContact C-N 3.25Å; P109-K111 PolarHBondContact O-N 2.77Å
110G77.6Confident81.7Confident60 Ų6062.7 Ų62.762%0.61944%0.443SS*.G310 helixtrans69.615.2178.400000115.2V108 K112V108-G110 PolarHBondContact O-N 2.91Å; V108-G110 VanDerWaalsContact O-N 3.17Å; G110-K112 PolarHBondContact O-N 3.07Å; G110-K112 VanDerWaalsContact O-N 3.09Å
111K82Confident79.8Confident119 Ų11964.9 Ų64.952%0.51747%0.466SS..G310 helixtrans57.824.4176.8-51.8174.2-177.8175.40113.6V108 P109 V124 Y125V108-K111 PolarHBondContact O-N 2.99Å; V108-K111 VanDerWaalsContact O-N 3.09Å; P109-K111 VanDerWaalsContact C-N 3.25Å; P109-K111 PolarHBondContact O-N 2.77Å; K111-V124 HydrophobicContact CB-CG1 4.1Å; K111-Y125 PolarHBondContact O-N 2.83Å
112K86.7Confident78.3Confident131 Ų13167.5 Ų67.557%0.5749%0.494SS*.BIsolated β-bridgetrans-73.5146.9-177.7-64.7-179.5-178.5178.90109.8V108 G110 H114 G123 Y125V108-K112 VanDerWaalsContact CG1-O 3.3Å; V108-K112 WeakPolarHBondContact CG1-O 3.3Å; G110-K112 PolarHBondContact O-N 3.07Å; G110-K112 VanDerWaalsContact O-N 3.09Å; K112-H114 PolarHBondContact O-N 3.12Å; K112-G123 CarbonylContact C-O 3.54Å; K112-Y125 WeakPolarHBondContact O-CE2 3.26Å
113C89.4Confident77.6Confident5 Ų566 Ų663%0.03449%0.486CS..  trans-72121.4172.8178.80000110C94 H98 T115 C116 G117 G123 Y125C94-C113 HydrophobicContact CB-CB 3.8Å; H98-C113 VanDerWaalsContact CB-SG 3.6Å; H98-C113 PolarHBondContact ND1-SG 2.98Å; H98-C113 VanDerWaalsContact ND1-SG 3.43Å; C113-T115 PolarHBondContact O-N 2.89Å; C113-T115 PolarHBondContact SG-N 3.09Å; C113-C116 HydrophobicContact CB-CB 3.87Å; C113-C116 PolarHBondContact O-N 2.92Å; C113-C116 PolarHBondContact SG-N 2.88Å; C113-C116 VanDerWaalsContact SG-N 3.45Å; C113-G117 PolarHBondContact O-N 3.06Å; C113-G123 WeakPolarHBondContact CB-O 3.49Å; C113-G123 PolarHBondContact N-O 3.37Å; C113-Y125 VanDerWaalsContact CA-CE2 3.49Å; C113-Y125 HydrophobicContact CB-CE1 4.19Å; C113-Y125 HydrophobicContact CB-CE2 4.19Å; C113-Y125 PolarHBondContact SG-OH 3.42Å
114H83Confident77.4Confident106 Ų10666 Ų6649%0.49148%0.482SS..THydrogen-bonded Turntrans-58.6-37.9175.7-73.2-71.4000112.3L82 V108 K112L82-H114 HydrophobicContact CD2-CB 4.13Å; V108-H114 WeakPolarHBondContact CG2-NE2 3.44Å; K112-H114 PolarHBondContact O-N 3.12Å
115T85.2Confident77.3Confident82 Ų8265.4 Ų65.450%0.50348%0.477SS..THydrogen-bonded Turntrans-78.3-32.6-177.1-40.40000112.7H98 C113 G117H98-T115 VanDerWaalsContact NE2-CG2 3.26Å; H98-T115 WeakPolarHBondContact NE2-CG2 3.33Å; C113-T115 PolarHBondContact O-N 2.89Å; C113-T115 PolarHBondContact SG-N 3.09Å; T115-G117 VanDerWaalsContact C-N 3.29Å; T115-G117 PolarHBondContact O-N 3.12Å
116C85.5Confident77.4Confident18 Ų1867.4 Ų67.412%0.12250%0.497CS..G310 helixtrans-75.2-16.3177.6-63.70000113.6C94 H98 C113 G118 G119 G121C94-C116 VanDerWaalsContact SG-SG 3.7Å; H98-C116 PolarHBondContact ND1-SG 3.34Å; C113-C116 HydrophobicContact CB-CB 3.87Å; C113-C116 PolarHBondContact O-N 2.92Å; C113-C116 PolarHBondContact SG-N 2.88Å; C113-C116 VanDerWaalsContact SG-N 3.45Å; C116-G118 PolarHBondContact O-N 2.89Å; C116-G119 PolarHBondContact O-N 3.03Å; C116-G121 WeakPolarHBondContact CB-O 3.38Å
117G66Low77.8Confident70 Ų7072.2 Ų72.272%0.72250%0.498SS*.G310 helixtrans-62.9-8.5-171.600000116.4C113 T115C113-G117 PolarHBondContact O-N 3.06Å; T115-G117 VanDerWaalsContact C-N 3.29Å; T115-G117 PolarHBondContact O-N 3.12Å
118G61.6Low78.3Confident83 Ų8367 Ų6786%0.85647%0.471SS*.G310 helixtrans-94.4-9.7177.200000115.8C116C116-G118 PolarHBondContact O-N 2.89Å
119G51.7Low79.1Confident59 Ų5970.4 Ų70.461%0.60849%0.494SS*.SBendtrans-146.481.2-171.700000113.6C116 G121C116-G119 PolarHBondContact O-N 3.03Å; G119-G121 PolarHBondContact O-N 3.37Å
120G52.8Low79.9Confident97 Ų9767.8 Ų67.8100%149%0.486SS*.SBendtrans61-29.4155.100000120.1
121G54.5Low80.7Confident47 Ų4766.5 Ų66.549%0.48547%0.465SS..  trans-105.397.1178.100000109.2C116 G119 G123C116-G121 WeakPolarHBondContact CB-O 3.38Å; G119-G121 PolarHBondContact O-N 3.37Å; G121-G123 PolarHBondContact O-N 3.23Å
122G64.1Low81.4Confident67 Ų6761.7 Ų61.769%0.69145%0.445SS*.  trans-64.477.2174.900000111.6V124G122-V124 PolarHBondContact O-N 2.88Å
123G80.8Confident81.8Confident12 Ų1260.1 Ų60.112%0.12445%0.447CS..PPolyproline II helixtrans-60.4128.1178.100000109.8K112 C113 G121K112-G123 CarbonylContact C-O 3.54Å; C113-G123 WeakPolarHBondContact CB-O 3.49Å; C113-G123 PolarHBondContact N-O 3.37Å; G121-G123 PolarHBondContact O-N 3.23Å
124V89Confident82Confident84 Ų8464.3 Ų64.351%0.50947%0.465SS..BIsolated β-bridgetrans-100133.3171.4-178.90000107.4C94 K111 G122 A126C94-V124 WeakPolarHBondContact CA-O 3.34Å; K111-V124 HydrophobicContact CB-CG1 4.1Å; G122-V124 PolarHBondContact O-N 2.88Å; V124-A126 PolarHBondContact O-N 3.37Å
125Y92.4Very high82.5Confident5 Ų559.3 Ų59.32%0.0244%0.441CS..PPolyproline II helixtrans-67125.9171.4-76.9-56.5000109.9C94 H98 A100 K111 K112 C113C94-Y125 HydrophobicContact CB-CD1 3.98Å; C94-Y125 HydrophobicContact CB-CE1 4.22Å; H98-Y125 HydrophobicContact CB-CE1 4.35Å; H98-Y125 WeakPolarHBondContact O-CE1 3.38Å; A100-Y125 HydrophobicContact CB-CD1 4.18Å; A100-Y125 HydrophobicContact CB-CD2 4.32Å; A100-Y125 HydrophobicContact CB-CE1 3.87Å; A100-Y125 HydrophobicContact CB-CE2 3.96Å; A100-Y125 HydrophobicContact CB-CG 4.43Å; K111-Y125 PolarHBondContact O-N 2.83Å; K112-Y125 WeakPolarHBondContact O-CE2 3.26Å; C113-Y125 VanDerWaalsContact CA-CE2 3.49Å; C113-Y125 HydrophobicContact CB-CE1 4.19Å; C113-Y125 HydrophobicContact CB-CE2 4.19Å; C113-Y125 PolarHBondContact SG-OH 3.42Å
126A93.4Very high82.8Confident59 Ų5962.8 Ų62.849%0.48845%0.445SS..EExtended strand (participates in β ladder)trans-113158170.900000109.6Y92 Q93 V124Y92-A126 CarbonylContact C-O 3.56Å; Y92-A126 WeakPolarHBondContact CA-O 3.43Å; Q93-A126 PolarHBondContact N-O 2.8Å; Q93-A126 PolarHBondContact O-N 3.21Å; V124-A126 PolarHBondContact O-N 3.37Å
127R95.6Very high83.2Confident158 Ų15865.4 Ų65.460%0.59647%0.468SS*.EExtended strand (participates in β ladder)trans-59.5144.6173.5-72.6-172.9-178.5-119.72.2109.9P90 T91 Y92 P129P90-R127 VanDerWaalsContact CB-NH1 3.35Å; T91-R127 WeakPolarHBondContact O-CA 3.39Å; Y92-R127 HydrophobicContact CD1-CG 4.22Å; Y92-R127 HydrophobicContact CE1-CG 3.7Å; R127-P129 VanDerWaalsContact O-CD 3.3Å; R127-P129 WeakPolarHBondContact O-CD 3.37Å
128C95.6Very high84.5Confident19 Ų1963 Ų6313%0.12844%0.442CS..  trans-116.781.2175.8-168.90000111.2T91 Q93 G130 L131 D132T91-C128 PolarHBondContact O-N 3.46Å; Q93-C128 HydrophobicContact CB-CB 3.93Å; Q93-C128 PolarHBondContact OE1-SG 3.12Å; C128-G130 PolarHBondContact O-N 3.39Å; C128-L131 HydrophobicContact CB-CB 4.09Å; C128-L131 PolarHBondContact O-N 3.34Å; C128-L131 VanDerWaalsContact SG-CB 3.52Å; C128-D132 PolarHBondContact O-N 3.3Å
129P96.2Very high86Confident87 Ų8763.9 Ų63.957%0.56542%0.422SS*.Hα-helixtrans-58.3-32.9179.9-25.334.5000113.9R127 D132 T133R127-P129 VanDerWaalsContact O-CD 3.3Å; R127-P129 WeakPolarHBondContact O-CD 3.37Å; P129-D132 WeakPolarHBondContact O-CB 3.43Å; P129-D132 PolarHBondContact O-N 2.68Å; P129-T133 PolarHBondContact O-N 2.94Å; P129-T133 PolarHBondContact O-OG1 2.91Å; P129-T133 VanDerWaalsContact O-OG1 3.09Å
130G95.1Very high87.9Confident55 Ų5563.9 Ų63.957%0.56741%0.407SS*.Hα-helixtrans-63.1-45.5177.300000112.5C128 D132 T133 F134C128-G130 PolarHBondContact O-N 3.39Å; G130-D132 VanDerWaalsContact C-N 3.35Å; G130-T133 PolarHBondContact O-N 3.21Å; G130-F134 PolarHBondContact O-N 3.5Å; G130-F134 VanDerWaalsContact O-N 3.11Å
131L94.7Very high89.9Confident33 Ų3362.4 Ų62.417%0.17338%0.376CS..Hα-helixtrans-67.3-37.4174.4-178.859.8000111.4L87 T91 L99 C128 T133 F134 L135L87-L131 HydrophobicContact CD1-CD2 4.31Å; T91-L131 HydrophobicContact CG2-CD2 4.25Å; T91-L131 HydrophobicContact CG2-CG 4.45Å; L99-L131 HydrophobicContact CD1-CD2 3.87Å; L99-L131 HydrophobicContact CD2-CD2 3.68Å; L99-L131 HydrophobicContact CG-CD2 4.4Å; C128-L131 HydrophobicContact CB-CB 4.09Å; C128-L131 PolarHBondContact O-N 3.34Å; C128-L131 VanDerWaalsContact SG-CB 3.52Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 3.37Å; L131-F134 HydrophobicContact CD1-CD1 4.39Å; L131-F134 PolarHBondContact O-N 3.17Å; L131-L135 HydrophobicContact CD1-CD1 4.19Å; L131-L135 HydrophobicContact CD1-CG 4.04Å; L131-L135 HydrophobicContact CD2-CD1 4.49Å; L131-L135 HydrophobicContact CG-CD1 3.88Å; L131-L135 HydrophobicContact CG-CG 4.21Å; L131-L135 WeakPolarHBondContact O-CB 3.31Å; L131-L135 VanDerWaalsContact O-CG 3.31Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3.42Å
132D96.1Very high91.8Very high18 Ų1860.3 Ų60.310%0.09635%0.354CS..Hα-helixtrans-59.3-44.4174.9-69.8-15.3000111.8P89 P90 T91 C128 P129 G130 L135 R136P89-D132 HydrophobicContact CB-CB 4.02Å; P89-D132 HydrophobicContact CG-CB 4.32Å; P90-D132 WeakPolarHBondContact CA-OD2 3.32Å; T91-D132 WeakPolarHBondContact CB-OD1 3.34Å; T91-D132 WeakPolarHBondContact CG2-OD1 3.13Å; T91-D132 PolarHBondContact N-OD1 3.47Å; T91-D132 PolarHBondContact OG1-OD1 2.74Å; C128-D132 PolarHBondContact O-N 3.3Å; P129-D132 WeakPolarHBondContact O-CB 3.43Å; P129-D132 PolarHBondContact O-N 2.68Å; G130-D132 VanDerWaalsContact C-N 3.35Å; D132-L135 PolarHBondContact O-N 2.84Å; D132-R136 VanDerWaalsContact O-CG 3.3Å; D132-R136 WeakPolarHBondContact O-CG 3.31Å; D132-R136 PolarHBondContact O-N 2.86Å
133T95Very high93.2Very high98 Ų9858.9 Ų58.960%0.60133%0.332SS*.Hα-helixtrans-60.2-46.9175.1-62.20000111.1P129 G130 L131 R136 A137P129-T133 PolarHBondContact O-N 2.94Å; P129-T133 PolarHBondContact O-OG1 2.91Å; P129-T133 VanDerWaalsContact O-OG1 3.09Å; G130-T133 PolarHBondContact O-N 3.21Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 3.37Å; T133-R136 PolarHBondContact O-N 2.86Å; T133-A137 PolarHBondContact O-N 3.36Å; T133-A137 VanDerWaalsContact O-N 3.15Å
134F93.3Very high93.8Very high94 Ų9459 Ų5941%0.41233%0.33SS..Hα-helixtrans-60.4-47.7177.3178.2-94.9000112.2I73 L78 G130 L131 R136 A137 A138I73-F134 HydrophobicContact CD1-CE1 4.45Å; I73-F134 HydrophobicContact CD1-CZ 3.77Å; L78-F134 HydrophobicContact CD2-CE1 3.95Å; G130-F134 PolarHBondContact O-N 3.5Å; G130-F134 VanDerWaalsContact O-N 3.11Å; L131-F134 HydrophobicContact CD1-CD1 4.39Å; L131-F134 PolarHBondContact O-N 3.17Å; F134-R136 VanDerWaalsContact C-N 3.27Å; F134-R136 PolarHBondContact O-N 3.11Å; F134-A137 PolarHBondContact O-N 2.8Å; F134-A137 VanDerWaalsContact O-N 3.1Å; F134-A138 HydrophobicContact CE1-CB 4.3Å; F134-A138 WeakPolarHBondContact O-CB 3.41Å; F134-A138 PolarHBondContact O-N 2.85Å
135L93.9Very high94Very high0 Ų057.6 Ų57.60%032%0.32CS..Hα-helixtrans-66.2-26.8-179-70.8172.4000113.6L78 L87 P89 T91 L131 D132 Y155 H156L78-L135 HydrophobicContact CD2-CD2 4.1Å; L87-L135 HydrophobicContact CB-CD1 3.68Å; L87-L135 HydrophobicContact CB-CD2 4.47Å; P89-L135 HydrophobicContact CG-CB 4.06Å; T91-L135 HydrophobicContact CG2-CD1 3.41Å; T91-L135 VanDerWaalsContact CG2-CD1 3.41Å; L131-L135 HydrophobicContact CD1-CD1 4.19Å; L131-L135 HydrophobicContact CD1-CG 4.04Å; L131-L135 HydrophobicContact CD2-CD1 4.49Å; L131-L135 HydrophobicContact CG-CD1 3.88Å; L131-L135 HydrophobicContact CG-CG 4.21Å; L131-L135 WeakPolarHBondContact O-CB 3.31Å; L131-L135 VanDerWaalsContact O-CG 3.31Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3.42Å; D132-L135 PolarHBondContact O-N 2.84Å; L135-Y155 HydrophobicContact CD2-CD1 4.47Å; L135-H156 PolarHBondContact O-CE1 3.04Å; L135-H156 PolarHBondContact O-ND1 2.84Å; L135-H156 VanDerWaalsContact O-ND1 3.1Å
136R92.3Very high94Very high156 Ų15661.5 Ų61.559%0.58934%0.34SS*.Hα-helixtrans-73.1-35.6171.7-71.8178.2-169.4-73.51.1112.3P89 D132 T133 F134P89-R136 HydrophobicContact CG-CG 3.95Å; D132-R136 VanDerWaalsContact O-CG 3.3Å; D132-R136 WeakPolarHBondContact O-CG 3.31Å; D132-R136 PolarHBondContact O-N 2.86Å; T133-R136 PolarHBondContact O-N 2.86Å; F134-R136 VanDerWaalsContact C-N 3.27Å; F134-R136 PolarHBondContact O-N 3.11Å
137A92.3Very high94Very high72 Ų7260.2 Ų60.260%0.59532%0.324SS*.Hα-helixtrans-81-27.4178.500000112.9T133 F134 K139T133-A137 PolarHBondContact O-N 3.36Å; T133-A137 VanDerWaalsContact O-N 3.15Å; F134-A137 PolarHBondContact O-N 2.8Å; F134-A137 VanDerWaalsContact O-N 3.1Å; A137-K139 PolarHBondContact O-N 2.88Å; A137-K139 VanDerWaalsContact O-N 3.1Å
138A93.2Very high93.9Very high21 Ų2154.6 Ų54.617%0.17432%0.315CS..  trans-67.3107.8-179.900000111.2F134 Y155F134-A138 HydrophobicContact CE1-CB 4.3Å; F134-A138 WeakPolarHBondContact O-CB 3.41Å; F134-A138 PolarHBondContact O-N 2.85Å; A138-Y155 PolarHBondContact O-N 2.95Å
139K94Very high93.8Very high100 Ų10054 Ų5444%0.43531%0.311SS..EExtended strand (participates in β ladder)trans-111.2148.8174.2-57.1173.2-164.4158.50110.5E68 A137 Y152 V153E68-K139 IonicContact OE1-NZ 3.12Å; E68-K139 PolarHBondContact OE1-NZ 2.93Å; A137-K139 PolarHBondContact O-N 2.88Å; A137-K139 VanDerWaalsContact O-N 3.1Å; K139-Y152 HydrophobicContact CB-CD1 4.31Å; K139-V153 CarbonylContact C-O 3.58Å; K139-V153 WeakPolarHBondContact CA-O 3.5Å
140I92.1Very high93.7Very high60 Ų6059.8 Ų59.831%0.30832%0.322SS..EExtended strand (participates in β ladder)trans-121.4154.9168.171166000109.6Y152 V153 Y155 V158I140-Y152 CarbonylContact O-C 3.39Å; I140-Y152 WeakPolarHBondContact O-CA 3.26Å; I140-V153 PolarHBondContact N-O 2.78Å; I140-V153 PolarHBondContact O-N 2.9Å; I140-Y155 HydrophobicContact CG2-CD2 4.38Å; I140-V158 HydrophobicContact CD1-CB 4.32Å; I140-V158 HydrophobicContact CD1-CG1 4.12Å; I140-V158 HydrophobicContact CD1-CG2 3.31Å; I140-V158 HydrophobicContact CG1-CG2 3.44Å; I140-V158 VanDerWaalsContact CG1-CG2 3.44Å
141L94.1Very high93.6Very high66 Ų6659 Ų5935%0.34631%0.308SS..EExtended strand (participates in β ladder)trans-64.4138.1170-170.662.1000109.6D145 Y152L141-D145 HydrophobicContact CD1-CB 4.36Å; L141-D145 HydrophobicContact CD2-CB 3.78Å; L141-D145 VanDerWaalsContact CD2-CG 3.42Å; L141-D145 HydrophobicContact CG-CB 3.78Å; L141-Y152 HydrophobicContact CB-CE1 4.41Å; L141-Y152 HydrophobicContact CD1-CD2 4.5Å; L141-Y152 HydrophobicContact CD1-CE2 4.22Å
142C95Very high93.6Very high2 Ų263.7 Ų63.71%0.01432%0.324CS..  trans-53134178176.20000111N144 D145 C149 S151 V153 H161C142-N144 PolarHBondContact O-N 3.01Å; C142-N144 PolarHBondContact SG-N 2.91Å; C142-D145 WeakPolarHBondContact O-CB 3.33Å; C142-D145 PolarHBondContact O-N 2.91Å; C142-C149 HydrophobicContact CB-CB 4Å; C142-C149 VanDerWaalsContact SG-SG 3.66Å; C142-S151 PolarHBondContact N-O 2.94Å; C142-V153 HydrophobicContact CB-CG2 4.43Å; C142-H161 PolarHBondContact SG-CD2 3.27Å; C142-H161 PolarHBondContact SG-NE2 3.39Å
143P92.2Very high93.5Very high37 Ų3763.5 Ų63.524%0.2432%0.324CS..THydrogen-bonded Turntrans-57.9-21.4175.3-28.737.7000114.5D145 V158 Q162P143-D145 VanDerWaalsContact C-N 3.3Å; P143-V158 HydrophobicContact CG-CG1 3.79Å; P143-Q162 HydrophobicContact CG-CG 4.24Å
144N93.7Very high93.4Very high14 Ų1460 Ų608%0.07531%0.305CS..THydrogen-bonded Turntrans-89.316.2174.9-59.7-33000113.1C142 L146 F147 G148 C149 C165 H167C142-N144 PolarHBondContact O-N 3.01Å; C142-N144 PolarHBondContact SG-N 2.91Å; N144-L146 PolarHBondContact O-N 2.79Å; N144-F147 HydrophobicContact CB-CD2 4.16Å; N144-F147 CarbonylContact O-C 3.34Å; N144-F147 WeakPolarHBondContact O-CA 3.39Å; N144-F147 PolarHBondContact O-N 2.87Å; N144-G148 PolarHBondContact O-N 2.83Å; N144-C149 HydrophobicContact CB-CB 4.13Å; N144-C149 PolarHBondContact O-N 2.86Å; N144-C149 VanDerWaalsContact O-N 3.11Å; N144-C165 WeakPolarHBondContact ND2-CB 3.42Å; N144-C165 PolarHBondContact ND2-SG 2.82Å; N144-H167 HydrophobicContact CB-CB 4.39Å
145D94.3Very high93.3Very high56 Ų5656.1 Ų56.130%0.29929%0.287SS..G310 helixtrans-56.4-37.8173.8173.470.6000112.4L141 C142 P143 F147 G148 C149L141-D145 HydrophobicContact CD1-CB 4.36Å; L141-D145 HydrophobicContact CD2-CB 3.78Å; L141-D145 VanDerWaalsContact CD2-CG 3.42Å; L141-D145 HydrophobicContact CG-CB 3.78Å; C142-D145 WeakPolarHBondContact O-CB 3.33Å; C142-D145 PolarHBondContact O-N 2.91Å; P143-D145 VanDerWaalsContact C-N 3.3Å; D145-F147 PolarHBondContact O-N 3.48Å; D145-G148 PolarHBondContact O-N 2.92Å; D145-C149 VanDerWaalsContact CA-O 3.25Å; D145-C149 WeakPolarHBondContact CA-O 3.39Å
146L92.3Very high93.2Very high86 Ų8657 Ų5745%0.4529%0.292SS..G310 helixtrans-57.9-21.3172.7-67.3165.9000113.3W15 V23 N144W15-L146 HydrophobicContact CH2-CD1 4.44Å; W15-L146 HydrophobicContact CZ3-CD1 4.27Å; V23-L146 HydrophobicContact CG1-CD1 4.23Å; N144-L146 PolarHBondContact O-N 2.79Å
147F93.2Very high93.2Very high32 Ų3252.5 Ų52.514%0.1428%0.279CS..G310 helixtrans-106.68.2177.8-53.3-61.7000113.1N144 D145 H167 P169 L180 S182 M185N144-F147 HydrophobicContact CB-CD2 4.16Å; N144-F147 CarbonylContact O-C 3.34Å; N144-F147 WeakPolarHBondContact O-CA 3.39Å; N144-F147 PolarHBondContact O-N 2.87Å; D145-F147 PolarHBondContact O-N 3.48Å; F147-H167 HydrophobicContact CB-CB 4.45Å; F147-H167 WeakPolarHBondContact CB-O 3.18Å; F147-H167 PolarHBondContact O-ND1 2.93Å; F147-P169 HydrophobicContact CD1-CB 4.41Å; F147-P169 HydrophobicContact CD2-CB 4.03Å; F147-P169 HydrophobicContact CD2-CG 4.17Å; F147-P169 HydrophobicContact CE1-CB 4.13Å; F147-P169 HydrophobicContact CE2-CB 3.74Å; F147-P169 HydrophobicContact CE2-CG 3.71Å; F147-P169 HydrophobicContact CG-CB 4.37Å; F147-P169 HydrophobicContact CZ-CB 3.79Å; F147-P169 HydrophobicContact CZ-CG 4.11Å; F147-L180 HydrophobicContact CZ-CD2 4.3Å; F147-S182 WeakPolarHBondContact O-CB 3.34Å; F147-S182 PolarHBondContact O-OG 3.19Å; F147-M185 HydrophobicContact CB-SD 4.48Å; F147-M185 HydrophobicContact CD1-SD 4.44Å
148G92.7Very high93.2Very high40 Ų4049.9 Ų49.941%0.41226%0.256SS..THydrogen-bonded Turntrans109.9-2.7173.300000115.8N144 D145 R150N144-G148 PolarHBondContact O-N 2.83Å; D145-G148 PolarHBondContact O-N 2.92Å; G148-R150 PolarHBondContact O-N 2.89Å; G148-R150 VanDerWaalsContact O-N 3.14Å
149C93.9Very high93Very high6 Ų651.7 Ų51.74%0.04127%0.27CS..  trans-81.594.3178.8-164.90000112.4C142 N144 D145 S151 H167C142-C149 HydrophobicContact CB-CB 4Å; C142-C149 VanDerWaalsContact SG-SG 3.66Å; N144-C149 HydrophobicContact CB-CB 4.13Å; N144-C149 PolarHBondContact O-N 2.86Å; N144-C149 VanDerWaalsContact O-N 3.11Å; D145-C149 VanDerWaalsContact CA-O 3.25Å; D145-C149 WeakPolarHBondContact CA-O 3.39Å; C149-S151 PolarHBondContact O-N 2.92Å; C149-S151 PolarHBondContact SG-OG 2.86Å; C149-H167 HydrophobicContact CB-CB 3.85Å
150R93.8Very high92.9Very high210 Ų21048.8 Ų48.879%0.79227%0.265SS*.  trans-82.917.5179-61.3-174.3177.5-178.40.8114.5G148G148-R150 PolarHBondContact O-N 2.89Å; G148-R150 VanDerWaalsContact O-N 3.14Å
151S93.5Very high93Very high39 Ų3948 Ų4827%0.27326%0.26SS..  trans-78.3139-17667.70000111.4C142 C149 H161C142-S151 PolarHBondContact N-O 2.94Å; C149-S151 PolarHBondContact O-N 2.92Å; C149-S151 PolarHBondContact SG-OG 2.86Å; S151-H161 PolarHBondContact OG-CE1 2.9Å; S151-H161 PolarHBondContact OG-NE2 3.46Å
152Y94.5Very high92.8Very high130 Ų13046.9 Ų46.951%0.5125%0.253SS..EExtended strand (participates in β ladder)trans-91.1119.9166.4-78.7-91.1000108.8K139 I140 L141K139-Y152 HydrophobicContact CB-CD1 4.31Å; I140-Y152 CarbonylContact O-C 3.39Å; I140-Y152 WeakPolarHBondContact O-CA 3.26Å; L141-Y152 HydrophobicContact CB-CE1 4.41Å; L141-Y152 HydrophobicContact CD1-CD2 4.5Å; L141-Y152 HydrophobicContact CD1-CE2 4.22Å
153V93.5Very high92.5Very high15 Ų1554.6 Ų54.69%0.09128%0.282CS..EExtended strand (participates in β ladder)trans-111.8138.3-174.9-173.90000108.5K139 I140 C142 Y155 D157 V158 H161K139-V153 CarbonylContact C-O 3.58Å; K139-V153 WeakPolarHBondContact CA-O 3.5Å; I140-V153 PolarHBondContact N-O 2.78Å; I140-V153 PolarHBondContact O-N 2.9Å; C142-V153 HydrophobicContact CB-CG2 4.43Å; V153-Y155 PolarHBondContact O-N 2.85Å; V153-D157 HydrophobicContact CG1-CB 4.45Å; V153-V158 HydrophobicContact CG1-CG2 4.48Å; V153-H161 HydrophobicContact CB-CB 4.39Å; V153-H161 HydrophobicContact CG1-CB 3.59Å; V153-H161 HydrophobicContact CG2-CB 3.93Å; V153-H161 VanDerWaalsContact CG2-CG 3.44Å
154A92.9Very high92.4Very high25 Ų2555 Ų5521%0.20729%0.289CS..EExtended strand (participates in β ladder)trans-52.4130.1170.900000109.6H156 D157 V158A154-H156 PolarHBondContact O-N 2.49Å; A154-H156 VanDerWaalsContact O-N 3.08Å; A154-D157 PolarHBondContact O-N 2.98Å; A154-V158 PolarHBondContact O-N 3.47Å
155Y92.2Very high92.3Very high11 Ų1154.4 Ų54.44%0.04329%0.285CS..G310 helixtrans-51.3-41.4-171.6159.5-105.5000112.9L75 L78 H79 P86 L135 A138 I140 V153 D157 V158L75-Y155 HydrophobicContact CD1-CD2 3.94Å; L75-Y155 HydrophobicContact CD1-CE2 3.19Å; L75-Y155 HydrophobicContact CG-CE2 3.98Å; L78-Y155 HydrophobicContact CB-CD1 4Å; L78-Y155 HydrophobicContact CB-CE1 3.29Å; L78-Y155 HydrophobicContact CD1-CD1 3.79Å; L78-Y155 HydrophobicContact CD1-CD2 4.44Å; L78-Y155 HydrophobicContact CD1-CE1 3.89Å; L78-Y155 HydrophobicContact CD1-CG 4.05Å; L78-Y155 HydrophobicContact CG-CE1 4.24Å; H79-Y155 PolarHBondContact CD2-OH 3.17Å; H79-Y155 PolarHBondContact NE2-OH 2.96Å; P86-Y155 HydrophobicContact CB-CE1 3.94Å; L135-Y155 HydrophobicContact CD2-CD1 4.47Å; A138-Y155 PolarHBondContact O-N 2.95Å; I140-Y155 HydrophobicContact CG2-CD2 4.38Å; V153-Y155 PolarHBondContact O-N 2.85Å; Y155-D157 PolarHBondContact O-N 2.99Å; Y155-V158 WeakPolarHBondContact O-CG2 3.19Å
156H91.9Very high92.1Very high20 Ų2054.6 Ų54.69%0.09329%0.29CS..G310 helixtrans-71.4-15.6-179.256.5-90.3000114.1K88 L135 A154K88-H156 HydrophobicContact CB-CB 4.47Å; K88-H156 HydrophobicContact CD-CB 4.17Å; K88-H156 WeakPolarHBondContact CE-O 3.41Å; K88-H156 HydrophobicContact CG-CB 3.94Å; K88-H156 PolarHBondContact NZ-O 3.01Å; L135-H156 PolarHBondContact O-CE1 3.04Å; L135-H156 PolarHBondContact O-ND1 2.84Å; L135-H156 VanDerWaalsContact O-ND1 3.1Å; A154-H156 PolarHBondContact O-N 2.49Å; A154-H156 VanDerWaalsContact O-N 3.08Å
157D92.5Very high92.1Very high60 Ų6053 Ų5332%0.32128%0.28SS..G310 helixtrans-109.57-177-72.2-22.9000114.1K88 V153 A154 Y155 A159 A160 H161K88-D157 IonicContact NZ-OD1 2.94Å; K88-D157 PolarHBondContact NZ-OD1 2.86Å; V153-D157 HydrophobicContact CG1-CB 4.45Å; A154-D157 PolarHBondContact O-N 2.98Å; Y155-D157 PolarHBondContact O-N 2.99Å; D157-A159 VanDerWaalsContact C-N 3.26Å; D157-A159 PolarHBondContact O-N 2.78Å; D157-A160 WeakPolarHBondContact O-CA 3.33Å; D157-A160 WeakPolarHBondContact O-CB 3.34Å; D157-A160 PolarHBondContact O-N 3.3Å; D157-H161 PolarHBondContact O-N 3.05Å
158V91.5Very high92.1Very high18 Ų1851.8 Ų51.811%0.10928%0.276CS..Hα-helixtrans-52.5-43.1177.5174.40000112.1I140 P143 V153 A154 Y155 A160 H161 Q162I140-V158 HydrophobicContact CD1-CB 4.32Å; I140-V158 HydrophobicContact CD1-CG1 4.12Å; I140-V158 HydrophobicContact CD1-CG2 3.31Å; I140-V158 HydrophobicContact CG1-CG2 3.44Å; I140-V158 VanDerWaalsContact CG1-CG2 3.44Å; P143-V158 HydrophobicContact CG-CG1 3.79Å; V153-V158 HydrophobicContact CG1-CG2 4.48Å; A154-V158 PolarHBondContact O-N 3.47Å; Y155-V158 WeakPolarHBondContact O-CG2 3.19Å; V158-A160 VanDerWaalsContact C-N 3.35Å; V158-A160 PolarHBondContact O-N 3.25Å; V158-H161 PolarHBondContact O-N 2.91Å; V158-Q162 HydrophobicContact CG1-CG 4.31Å; V158-Q162 WeakPolarHBondContact O-CB 3.27Å; V158-Q162 VanDerWaalsContact O-CG 3.31Å; V158-Q162 WeakPolarHBondContact O-CG 3.3Å; V158-Q162 PolarHBondContact O-N 2.73Å
159A89.8Confident92.1Very high58 Ų5851.8 Ų51.848%0.47927%0.269SS..Hα-helixtrans-67.1-34.3178.200000112.9D157 R163D157-A159 VanDerWaalsContact C-N 3.26Å; D157-A159 PolarHBondContact O-N 2.78Å; A159-R163 WeakPolarHBondContact O-CG 3.2Å; A159-R163 PolarHBondContact O-N 2.55Å; A159-R163 PolarHBondContact O-NE 3.11Å
160A91.5Very high92Very high40 Ų4051.5 Ų51.533%0.33127%0.267SS..Hα-helixtrans-69.5-45.6174.500000110.2D157 V158 Q162 R163 A164D157-A160 WeakPolarHBondContact O-CA 3.33Å; D157-A160 WeakPolarHBondContact O-CB 3.34Å; D157-A160 PolarHBondContact O-N 3.3Å; V158-A160 VanDerWaalsContact C-N 3.35Å; V158-A160 PolarHBondContact O-N 3.25Å; A160-Q162 PolarHBondContact O-N 3.11Å; A160-R163 PolarHBondContact O-N 3.31Å; A160-A164 PolarHBondContact O-N 3.27Å
161H93.5Very high91.9Very high42 Ų4244 Ų4419%0.19425%0.246CC..Hα-helixtrans-59.6-46.7174.517986.2000112.1C142 S151 V153 D157 V158 R163 A164 C165C142-H161 PolarHBondContact SG-CD2 3.27Å; C142-H161 PolarHBondContact SG-NE2 3.39Å; S151-H161 PolarHBondContact OG-CE1 2.9Å; S151-H161 PolarHBondContact OG-NE2 3.46Å; V153-H161 HydrophobicContact CB-CB 4.39Å; V153-H161 HydrophobicContact CG1-CB 3.59Å; V153-H161 HydrophobicContact CG2-CB 3.93Å; V153-H161 VanDerWaalsContact CG2-CG 3.44Å; D157-H161 PolarHBondContact O-N 3.05Å; V158-H161 PolarHBondContact O-N 2.91Å; H161-R163 PolarHBondContact O-N 3.14Å; H161-A164 CarbonylContact O-C 3.59Å; H161-A164 WeakPolarHBondContact O-CA 3.3Å; H161-A164 PolarHBondContact O-N 2.83Å; H161-C165 WeakPolarHBondContact O-CA 3.45Å; H161-C165 VanDerWaalsContact O-CB 3.25Å; H161-C165 WeakPolarHBondContact O-CB 3.43Å; H161-C165 PolarHBondContact O-N 3.46Å
162Q90.5Very high91.8Very high43 Ų4342.6 Ų42.620%0.20124%0.236CC..Hα-helixtrans-56.6-37.4179.3-80177.2-5200112.3G21 P143 V158 A160 A164 N254G21-Q162 PolarHBondContact O-NE2 2.85Å; P143-Q162 HydrophobicContact CG-CG 4.24Å; V158-Q162 HydrophobicContact CG1-CG 4.31Å; V158-Q162 WeakPolarHBondContact O-CB 3.27Å; V158-Q162 VanDerWaalsContact O-CG 3.31Å; V158-Q162 WeakPolarHBondContact O-CG 3.3Å; V158-Q162 PolarHBondContact O-N 2.73Å; A160-Q162 PolarHBondContact O-N 3.11Å; Q162-A164 VanDerWaalsContact C-N 3.33Å; Q162-N254 PolarHBondContact O-ND2 3.36Å
163R88.9Confident91.4Very high164 Ų16437.6 Ų37.662%0.61922%0.221SC*.Hα-helixtrans-73-21.6175-70.3-176.9-65.4-173.84.7113.8A159 A160 H161 N254A159-R163 WeakPolarHBondContact O-CG 3.2Å; A159-R163 PolarHBondContact O-N 2.55Å; A159-R163 PolarHBondContact O-NE 3.11Å; A160-R163 PolarHBondContact O-N 3.31Å; H161-R163 PolarHBondContact O-N 3.14Å; R163-N254 WeakPolarHBondContact O-CB 3.32Å; R163-N254 PolarHBondContact O-ND2 2.89Å
164A90.3Very high91.1Very high46 Ų4638.8 Ų38.838%0.3823%0.225SC..Hα-helixtrans-107.2-1178.600000113A160 H161 Q162 P166 A257A160-A164 PolarHBondContact O-N 3.27Å; H161-A164 CarbonylContact O-C 3.59Å; H161-A164 WeakPolarHBondContact O-CA 3.3Å; H161-A164 PolarHBondContact O-N 2.83Å; Q162-A164 VanDerWaalsContact C-N 3.33Å; A164-P166 WeakPolarHBondContact O-CD 3.46Å; A164-A257 WeakPolarHBondContact O-CA 3.37Å; A164-A257 VanDerWaalsContact O-CB 3.32Å; A164-A257 WeakPolarHBondContact O-CB 3.48Å
165C92.1Very high90.8Very high1 Ų141.1 Ų41.11%0.00724%0.238CC..  trans-72.1122.1-170.1-174.20000110.2N144 H161 H167 A168N144-C165 WeakPolarHBondContact ND2-CB 3.42Å; N144-C165 PolarHBondContact ND2-SG 2.82Å; H161-C165 WeakPolarHBondContact O-CA 3.45Å; H161-C165 VanDerWaalsContact O-CB 3.25Å; H161-C165 WeakPolarHBondContact O-CB 3.43Å; H161-C165 PolarHBondContact O-N 3.46Å; C165-H167 PolarHBondContact O-N 3.32Å; C165-A168 HydrophobicContact CB-CB 4.47Å; C165-A168 WeakPolarHBondContact O-CB 3.45Å; C165-A168 PolarHBondContact O-N 3.2Å
166P89.9Confident90.6Very high61 Ų6152.2 Ų52.240%0.39628%0.28SS..THydrogen-bonded Turntrans-70.6-17.717927.8-33.8000113.1A164 P183A164-P166 WeakPolarHBondContact O-CD 3.46Å; P166-P183 VanDerWaalsContact O-CD 3.23Å; P166-P183 WeakPolarHBondContact O-CD 3.39Å
167H91.9Very high90.7Very high53 Ų5352.8 Ų52.825%0.24529%0.286CS..THydrogen-bonded Turntrans-93.88.6176.4-57-89.2000113.3N144 F147 C149 C165N144-H167 HydrophobicContact CB-CB 4.39Å; F147-H167 HydrophobicContact CB-CB 4.45Å; F147-H167 WeakPolarHBondContact CB-O 3.18Å; F147-H167 PolarHBondContact O-ND1 2.93Å; C149-H167 HydrophobicContact CB-CB 3.85Å; C165-H167 PolarHBondContact O-N 3.32Å
168A92.2Very high90.7Very high6 Ų657.6 Ų57.65%0.0531%0.311CS..  trans-56.7136.9174.600000109.9C165 A253 N254C165-A168 HydrophobicContact CB-CB 4.47Å; C165-A168 WeakPolarHBondContact O-CB 3.45Å; C165-A168 PolarHBondContact O-N 3.2Å; A168-A253 HydrophobicContact CB-CB 3.68Å; A168-N254 WeakPolarHBondContact CB-ND2 3.22Å
169P92.4Very high90.9Very high40 Ų4059 Ų5926%0.2632%0.316SS..  trans-72.1136.4-165.728.5-36000112.4F147 L180 G181 A253F147-P169 HydrophobicContact CD1-CB 4.41Å; F147-P169 HydrophobicContact CD2-CB 4.03Å; F147-P169 HydrophobicContact CD2-CG 4.17Å; F147-P169 HydrophobicContact CE1-CB 4.13Å; F147-P169 HydrophobicContact CE2-CB 3.74Å; F147-P169 HydrophobicContact CE2-CG 3.71Å; F147-P169 HydrophobicContact CG-CB 4.37Å; F147-P169 HydrophobicContact CZ-CB 3.79Å; F147-P169 HydrophobicContact CZ-CG 4.11Å; P169-L180 HydrophobicContact CB-CD1 3.84Å; P169-L180 HydrophobicContact CB-CD2 4.32Å; P169-L180 HydrophobicContact CB-CG 3.85Å; P169-G181 CarbonylContact C-O 3.6Å; P169-G181 WeakPolarHBondContact CA-O 3.36Å; P169-A253 VanDerWaalsContact O-CB 3.3Å; P169-A253 WeakPolarHBondContact O-CB 3.31Å
170C92Very high91.1Very high0 Ų060.4 Ų60.40%032%0.315CS..EExtended strand (participates in β ladder)trans-109.4143.1172.8-66.40000109.9G181 L186 V251 A253 A288C170-G181 PolarHBondContact N-O 2.9Å; C170-G181 PolarHBondContact O-N 3.05Å; C170-G181 VanDerWaalsContact O-N 3.11Å; C170-L186 HydrophobicContact CB-CD2 3.52Å; C170-V251 HydrophobicContact CB-CG1 4.47Å; C170-A253 PolarHBondContact SG-N 3.31Å; C170-A288 WeakPolarHBondContact CA-O 3.4Å; C170-A288 WeakPolarHBondContact CB-O 3.43Å; C170-A288 PolarHBondContact SG-O 3.05Å
171S91.8Very high91.2Very high52 Ų5258.5 Ų58.536%0.36430%0.299SS..EExtended strand (participates in β ladder)trans-92.4146.2176.1590000111.3F179 A288S171-F179 WeakPolarHBondContact CA-O 3.49Å; S171-A288 PolarHBondContact N-O 2.78Å
172C92.3Very high91.2Very high10 Ų1056.7 Ų56.77%0.06829%0.291CS..  trans-67.7150.7160.6-170.80000109.4C177 F179 L186 H189 H194C172-C177 HydrophobicContact CB-CB 4.05Å; C172-F179 HydrophobicContact CB-CB 3.85Å; C172-F179 HydrophobicContact CB-CD1 4.41Å; C172-F179 PolarHBondContact N-O 2.9Å; C172-L186 HydrophobicContact CB-CD1 4.02Å; C172-H189 PolarHBondContact SG-NE2 2.72Å; C172-H189 VanDerWaalsContact SG-NE2 3.42Å; C172-H194 VanDerWaalsContact SG-CD2 3.57Å; C172-H194 PolarHBondContact SG-NE2 2.78Å
173S86.4Confident91.3Very high25 Ų2555.1 Ų55.118%0.17529%0.285CS..  trans-119.5-3.7-174.455.80000112.9A290 P291 G292S173-A290 WeakPolarHBondContact CB-O 3.24Å; S173-A290 PolarHBondContact OG-O 2.84Å; S173-P291 PolarHBondContact OG-O 2.86Å; S173-G292 CarbonylContact O-C 3.55Å; S173-G292 WeakPolarHBondContact O-CA 3.47Å; S173-G292 WeakPolarHBondContact OG-CA 2.9Å; S173-G292 PolarHBondContact OG-N 2.81Å
174E87.4Confident91.5Very high39 Ų3950.9 Ų50.918%0.18228%0.279CS..SBendtrans-61.3135.2172.6-72.1-68.2176.100109.6R176 C177 H194 W196 R217E174-R176 PolarHBondContact O-N 2.92Å; E174-R176 VanDerWaalsContact O-N 3.17Å; E174-C177 HydrophobicContact CB-CB 4.17Å; E174-C177 WeakPolarHBondContact O-CB 3.31Å; E174-C177 PolarHBondContact O-N 3.45Å; E174-H194 VanDerWaalsContact CB-CE1 3.48Å; E174-H194 WeakPolarHBondContact CB-CE1 3.31Å; E174-H194 HydrophobicContact CG-CB 4.32Å; E174-W196 HydrophobicContact CG-CZ2 4.13Å; E174-W196 VanDerWaalsContact OE1-CE2 3.3Å; E174-W196 VanDerWaalsContact OE1-CZ2 3.22Å; E174-W196 WeakPolarHBondContact OE1-CZ2 3.43Å; E174-W196 PolarHBondContact OE1-NE1 3.12Å; E174-R217 IonicContact OE1-CZ 3.74Å; E174-R217 IonicContact OE1-NE 2.92Å; E174-R217 IonicContact OE1-NH2 2.88Å; E174-R217 PolarHBondContact OE1-NH2 2.82Å; E174-R217 IonicContact OE2-NH2 2.68Å; E174-R217 PolarHBondContact OE2-NH2 3.31Å
175P86.5Confident91.6Very high75 Ų7552.3 Ų52.349%0.48728%0.278SS..THydrogen-bonded Turntrans-54.5126.3179.9-26.134.2000111.1C177P175-C177 VanDerWaalsContact C-N 3.35Å
176R87.9Confident91.7Very high244 Ų24452.2 Ų52.292%0.92128%0.278SS*.THydrogen-bonded Turntrans72.717.2-178.9-48.1173.2-70.6-89.6-2.8115.2E174E174-R176 PolarHBondContact O-N 2.92Å; E174-R176 VanDerWaalsContact O-N 3.17Å
177C92.7Very high92Very high31 Ų3151 Ų5121%0.20927%0.268CS..  trans-99128.5166.3-1680000110.6C172 E174 P175 H189 H194C172-C177 HydrophobicContact CB-CB 4.05Å; E174-C177 HydrophobicContact CB-CB 4.17Å; E174-C177 WeakPolarHBondContact O-CB 3.31Å; E174-C177 PolarHBondContact O-N 3.45Å; P175-C177 VanDerWaalsContact C-N 3.35Å; C177-H189 PolarHBondContact SG-CE1 3.34Å; C177-H189 PolarHBondContact SG-NE2 3.26Å; C177-H194 PolarHBondContact SG-NE2 3.46Å
178D93.5Very high92.1Very high161 Ų16151.4 Ų51.486%0.86128%0.281SS*.  trans-107.414.9179.864.2-14.8000112.8L180D178-L180 PolarHBondContact O-N 2.79Å
179F95.3Very high92.3Very high48 Ų4851.8 Ų51.821%0.21128%0.281CS..  trans-60.4136.2-179.3178.1-85.4000111.9S171 C172 M185 L186 H189S171-F179 WeakPolarHBondContact CA-O 3.49Å; C172-F179 HydrophobicContact CB-CB 3.85Å; C172-F179 HydrophobicContact CB-CD1 4.41Å; C172-F179 PolarHBondContact N-O 2.9Å; F179-M185 HydrophobicContact CZ-CB 3.96Å; F179-M185 WeakPolarHBondContact CZ-O 3.35Å; F179-L186 HydrophobicContact CD1-CD1 3.74Å; F179-L186 HydrophobicContact CE1-CB 4Å; F179-L186 HydrophobicContact CE1-CD1 3.92Å; F179-H189 WeakPolarHBondContact CB-NE2 3.31Å; F179-H189 HydrophobicContact CD1-CB 4.05Å; F179-H189 AromaticContact CD1-CD2 3.6Å; F179-H189 AromaticContact CD1-CG 3.79Å; F179-H189 HydrophobicContact CD2-CB 3.83Å; F179-H189 AromaticContact CD2-CG 3.49Å; F179-H189 VanDerWaalsContact CD2-CG 3.49Å; F179-H189 AromaticContact CD2-ND1 3.59Å; F179-H189 HydrophobicContact CE1-CB 3.88Å; F179-H189 HydrophobicContact CE2-CB 3.62Å; F179-H189 AromaticContact CE2-CG 3.85Å; F179-H189 HydrophobicContact CG-CB 4.03Å; F179-H189 AromaticContact CG-CD2 3.46Å; F179-H189 VanDerWaalsContact CG-CD2 3.46Å; F179-H189 WeakPolarHBondContact CG-CD2 3.33Å; F179-H189 AromaticContact CG-CE1 3.96Å; F179-H189 AromaticContact CG-CG 3.45Å; F179-H189 VanDerWaalsContact CG-CG 3.45Å; F179-H189 AromaticContact CG-ND1 3.79Å; F179-H189 AromaticContact CG-NE2 3.78Å; F179-H189 HydrophobicContact CZ-CB 3.64Å
180L94Very high92.5Very high87 Ų8750 Ų5046%0.45527%0.269SS..EExtended strand (participates in β ladder)trans-137.4126.3175.9-172.373.3000109.7F147 P169 D178F147-L180 HydrophobicContact CZ-CD2 4.3Å; P169-L180 HydrophobicContact CB-CD1 3.84Å; P169-L180 HydrophobicContact CB-CD2 4.32Å; P169-L180 HydrophobicContact CB-CG 3.85Å; D178-L180 PolarHBondContact O-N 2.79Å
181G94.2Very high92.6Very high0 Ų052.7 Ų52.70%029%0.286CS..EExtended strand (participates in β ladder)trans-169.5173.5178.800000112.5P169 C170P169-G181 CarbonylContact C-O 3.6Å; P169-G181 WeakPolarHBondContact CA-O 3.36Å; C170-G181 PolarHBondContact N-O 2.9Å; C170-G181 PolarHBondContact O-N 3.05Å; C170-G181 VanDerWaalsContact O-N 3.11Å
182S93Very high92.9Very high4 Ų453.8 Ų53.83%0.02830%0.298CS..  trans-62163.2172.955.30000111.5F147 P184 M185 L186F147-S182 WeakPolarHBondContact O-CB 3.34Å; F147-S182 PolarHBondContact O-OG 3.19Å; S182-P184 VanDerWaalsContact C-CD 3.5Å; S182-P184 VanDerWaalsContact C-N 3.32Å; S182-M185 CarbonylContact O-C 3.12Å; S182-M185 WeakPolarHBondContact O-CA 3.46Å; S182-M185 WeakPolarHBondContact O-CB 3.45Å; S182-M185 PolarHBondContact O-N 3.28Å; S182-M185 VanDerWaalsContact OG-CG 3.31Å; S182-M185 WeakPolarHBondContact OG-CG 3.44Å; S182-M185 PolarHBondContact OG-SD 3.13Å; S182-L186 PolarHBondContact O-N 3.21Å
183P92.4Very high93Very high11 Ų1158.5 Ų58.57%0.07132%0.323CS..Hα-helixtrans-51.6-41.1179.5-25.332.8000114.8P166 M185 L186 L187 V251P166-P183 VanDerWaalsContact O-CD 3.23Å; P166-P183 WeakPolarHBondContact O-CD 3.39Å; P183-M185 PolarHBondContact O-N 3.38Å; P183-L186 PolarHBondContact O-N 3.33Å; P183-L187 PolarHBondContact O-N 3.39Å; P183-V251 HydrophobicContact CB-CG1 4.3Å; P183-V251 WeakPolarHBondContact CB-O 3.46Å
184P92.2Very high93.4Very high75 Ų7560 Ų6049%0.48733%0.327SS..Hα-helixtrans-65.1-35.9173.2-2335.4000113.8S182 L187 A188S182-P184 VanDerWaalsContact C-CD 3.5Å; S182-P184 VanDerWaalsContact C-N 3.32Å; P184-L187 WeakPolarHBondContact O-CB 3.43Å; P184-L187 PolarHBondContact O-N 3.28Å; P184-A188 PolarHBondContact O-N 2.89Å; P184-A188 VanDerWaalsContact O-N 3.14Å
185M94.2Very high93.7Very high75 Ų7562.9 Ų62.937%0.36935%0.351SS..Hα-helixtrans-68-41175.2-62.917265.400111F147 F179 S182 P183 L187 A188 H189F147-M185 HydrophobicContact CB-SD 4.48Å; F147-M185 HydrophobicContact CD1-SD 4.44Å; F179-M185 HydrophobicContact CZ-CB 3.96Å; F179-M185 WeakPolarHBondContact CZ-O 3.35Å; S182-M185 CarbonylContact O-C 3.12Å; S182-M185 WeakPolarHBondContact O-CA 3.46Å; S182-M185 WeakPolarHBondContact O-CB 3.45Å; S182-M185 PolarHBondContact O-N 3.28Å; S182-M185 VanDerWaalsContact OG-CG 3.31Å; S182-M185 WeakPolarHBondContact OG-CG 3.44Å; S182-M185 PolarHBondContact OG-SD 3.13Å; P183-M185 PolarHBondContact O-N 3.38Å; M185-L187 VanDerWaalsContact C-N 3.35Å; M185-A188 PolarHBondContact O-N 3.07Å; M185-H189 WeakPolarHBondContact O-CB 3.19Å; M185-H189 PolarHBondContact O-N 3.11Å
186L94.3Very high94Very high0 Ų060.2 Ų60.20%033%0.331CS..Hα-helixtrans-63.3-40.5175.6-179.760.3000111.5C170 C172 F179 S182 P183 A188 H189 L190 V251 A290C170-L186 HydrophobicContact CB-CD2 3.52Å; C172-L186 HydrophobicContact CB-CD1 4.02Å; F179-L186 HydrophobicContact CD1-CD1 3.74Å; F179-L186 HydrophobicContact CE1-CB 4Å; F179-L186 HydrophobicContact CE1-CD1 3.92Å; S182-L186 PolarHBondContact O-N 3.21Å; P183-L186 PolarHBondContact O-N 3.33Å; L186-A188 PolarHBondContact O-N 2.87Å; L186-H189 PolarHBondContact O-N 3.44Å; L186-L190 HydrophobicContact CD1-CD1 4.08Å; L186-L190 HydrophobicContact CD1-CD2 4.36Å; L186-L190 HydrophobicContact CD1-CG 3.94Å; L186-L190 HydrophobicContact CG-CD1 3.87Å; L186-L190 HydrophobicContact CG-CG 4.23Å; L186-L190 WeakPolarHBondContact O-CB 3.45Å; L186-L190 VanDerWaalsContact O-CG 3.24Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.81Å; L186-V251 HydrophobicContact CD2-CG1 3.74Å; L186-A290 HydrophobicContact CD2-CB 4.45Å
187L94.5Very high94.3Very high35 Ų3550.8 Ų50.818%0.18330%0.302CS..Hα-helixtrans-55.4-51.8172173.773.6000111.4P183 P184 M185 H189 L190 V191 V198 L219 V221 V232P183-L187 PolarHBondContact O-N 3.39Å; P184-L187 WeakPolarHBondContact O-CB 3.43Å; P184-L187 PolarHBondContact O-N 3.28Å; M185-L187 VanDerWaalsContact C-N 3.35Å; L187-H189 VanDerWaalsContact C-N 3.3Å; L187-H189 PolarHBondContact O-N 3.17Å; L187-L190 PolarHBondContact O-N 2.8Å; L187-V191 WeakPolarHBondContact O-CG2 3.28Å; L187-V191 PolarHBondContact O-N 3.05Å; L187-V191 VanDerWaalsContact O-N 3.11Å; L187-V198 HydrophobicContact CD1-CG2 4.12Å; L187-L219 HydrophobicContact CD1-CB 4.12Å; L187-L219 HydrophobicContact CD1-CD1 3.99Å; L187-L219 HydrophobicContact CD1-CD2 4.29Å; L187-L219 HydrophobicContact CD1-CG 4.34Å; L187-V221 HydrophobicContact CD1-CG2 3.96Å; L187-V221 HydrophobicContact CD2-CG2 3.66Å; L187-V221 HydrophobicContact CG-CG2 4.49Å; L187-V232 HydrophobicContact CB-CG1 4.31Å; L187-V232 HydrophobicContact CB-CG2 3.97Å; L187-V232 HydrophobicContact CD1-CG1 4.01Å; L187-V232 HydrophobicContact CD1-CG2 4.44Å; L187-V232 HydrophobicContact CD2-CG2 4.07Å; L187-V232 HydrophobicContact CG-CG2 4.39Å
188A95.4Very high94.4Very high62 Ų6252.4 Ų52.451%0.51231%0.31SS..Hα-helixtrans-60.2-41.9-179.500000111.9P184 M185 L186 A192P184-A188 PolarHBondContact O-N 2.89Å; P184-A188 VanDerWaalsContact O-N 3.14Å; M185-A188 PolarHBondContact O-N 3.07Å; L186-A188 PolarHBondContact O-N 2.87Å; A188-A192 VanDerWaalsContact O-CB 3.26Å; A188-A192 WeakPolarHBondContact O-CB 3.28Å; A188-A192 PolarHBondContact O-N 2.88Å
189H96.7Very high94.5Very high14 Ų1446 Ų467%0.06528%0.279CS..Hα-helixtrans-63.1-49175.9168.165.4000112.9C172 C177 F179 M185 L186 L187 V191 A192 D193 H194C172-H189 PolarHBondContact SG-NE2 2.72Å; C172-H189 VanDerWaalsContact SG-NE2 3.42Å; C177-H189 PolarHBondContact SG-CE1 3.34Å; C177-H189 PolarHBondContact SG-NE2 3.26Å; F179-H189 WeakPolarHBondContact CB-NE2 3.31Å; F179-H189 HydrophobicContact CD1-CB 4.05Å; F179-H189 AromaticContact CD1-CD2 3.6Å; F179-H189 AromaticContact CD1-CG 3.79Å; F179-H189 HydrophobicContact CD2-CB 3.83Å; F179-H189 AromaticContact CD2-CG 3.49Å; F179-H189 VanDerWaalsContact CD2-CG 3.49Å; F179-H189 AromaticContact CD2-ND1 3.59Å; F179-H189 HydrophobicContact CE1-CB 3.88Å; F179-H189 HydrophobicContact CE2-CB 3.62Å; F179-H189 AromaticContact CE2-CG 3.85Å; F179-H189 HydrophobicContact CG-CB 4.03Å; F179-H189 AromaticContact CG-CD2 3.46Å; F179-H189 VanDerWaalsContact CG-CD2 3.46Å; F179-H189 WeakPolarHBondContact CG-CD2 3.33Å; F179-H189 AromaticContact CG-CE1 3.96Å; F179-H189 AromaticContact CG-CG 3.45Å; F179-H189 VanDerWaalsContact CG-CG 3.45Å; F179-H189 AromaticContact CG-ND1 3.79Å; F179-H189 AromaticContact CG-NE2 3.78Å; F179-H189 HydrophobicContact CZ-CB 3.64Å; M185-H189 WeakPolarHBondContact O-CB 3.19Å; M185-H189 PolarHBondContact O-N 3.11Å; L186-H189 PolarHBondContact O-N 3.44Å; L187-H189 VanDerWaalsContact C-N 3.3Å; L187-H189 PolarHBondContact O-N 3.17Å; H189-V191 VanDerWaalsContact C-N 3.26Å; H189-V191 PolarHBondContact O-N 3.12Å; H189-A192 PolarHBondContact O-N 3.32Å; H189-D193 IonicContact CE1-OD2 3.65Å; H189-D193 IonicContact CG-OD2 3.3Å; H189-D193 IonicContact ND1-OD2 3.6Å; H189-D193 PolarHBondContact ND1-OD2 2.83Å; H189-D193 WeakPolarHBondContact O-CB 3.09Å; H189-D193 PolarHBondContact O-N 3.18Å; H189-H194 AromaticContact CE1-CD2 3.9Å; H189-H194 AromaticContact CE1-NE2 3.65Å; H189-H194 AromaticContact NE2-CD2 3.37Å; H189-H194 PolarHBondContact NE2-CD2 3.45Å; H189-H194 AromaticContact NE2-NE2 3.21Å; H189-H194 PolarHBondContact NE2-NE2 2.8Å
190L94.9Very high94.4Very high1 Ų150.4 Ų50.41%0.00530%0.297CS..Hα-helixtrans-62.1-35.4-179.4-68.9169.2000112.1L186 L187 H194 S195 W196 L219 A290L186-L190 HydrophobicContact CD1-CD1 4.08Å; L186-L190 HydrophobicContact CD1-CD2 4.36Å; L186-L190 HydrophobicContact CD1-CG 3.94Å; L186-L190 HydrophobicContact CG-CD1 3.87Å; L186-L190 HydrophobicContact CG-CG 4.23Å; L186-L190 WeakPolarHBondContact O-CB 3.45Å; L186-L190 VanDerWaalsContact O-CG 3.24Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.81Å; L187-L190 PolarHBondContact O-N 2.8Å; L190-H194 CarbonylContact O-C 3.59Å; L190-H194 VanDerWaalsContact O-C 3.31Å; L190-H194 WeakPolarHBondContact O-CA 3.34Å; L190-H194 WeakPolarHBondContact O-CB 3.25Å; L190-H194 PolarHBondContact O-N 3.02Å; L190-S195 PolarHBondContact O-N 3.2Å; L190-S195 VanDerWaalsContact O-N 3.09Å; L190-W196 HydrophobicContact CB-CB 4.41Å; L190-W196 HydrophobicContact CB-CD2 4.29Å; L190-W196 HydrophobicContact CB-CE3 4.42Å; L190-W196 HydrophobicContact CB-CG 4.35Å; L190-W196 HydrophobicContact CD1-CE3 4.02Å; L190-W196 HydrophobicContact CD1-CH2 4.23Å; L190-W196 HydrophobicContact CD1-CZ3 3.85Å; L190-W196 HydrophobicContact CD2-CD2 4.11Å; L190-W196 HydrophobicContact CD2-CE3 4.29Å; L190-W196 HydrophobicContact CD2-CH2 3.88Å; L190-W196 HydrophobicContact CD2-CZ2 3.72Å; L190-W196 HydrophobicContact CD2-CZ3 4.21Å; L190-W196 HydrophobicContact CG-CE3 4.49Å; L190-W196 PolarHBondContact O-N 2.99Å; L190-L219 HydrophobicContact CB-CD1 3.79Å; L190-L219 HydrophobicContact CD1-CD1 4.37Å; L190-L219 HydrophobicContact CD1-CD2 3.87Å; L190-A290 HydrophobicContact CD1-CB 3.89Å
191V95.8Very high94.5Very high58 Ų5846.6 Ų46.635%0.35228%0.278SS..Hα-helixtrans-70.5-47.8174.3174.20000111.1L187 H189 S195 V198 L219L187-V191 WeakPolarHBondContact O-CG2 3.28Å; L187-V191 PolarHBondContact O-N 3.05Å; L187-V191 VanDerWaalsContact O-N 3.11Å; H189-V191 VanDerWaalsContact C-N 3.26Å; H189-V191 PolarHBondContact O-N 3.12Å; V191-S195 VanDerWaalsContact O-CA 3.31Å; V191-S195 WeakPolarHBondContact O-CA 3.4Å; V191-S195 PolarHBondContact O-N 3.28Å; V191-V198 HydrophobicContact CG2-CB 4.14Å; V191-V198 HydrophobicContact CG2-CG1 4.02Å; V191-L219 HydrophobicContact CG2-CD1 3.94Å
192A96.7Very high94.5Very high75 Ų7550 Ų5062%0.6230%0.3SS*.Hα-helixtrans-76-45.9-172.900000113.5A188 H189A188-A192 VanDerWaalsContact O-CB 3.26Å; A188-A192 WeakPolarHBondContact O-CB 3.28Å; A188-A192 PolarHBondContact O-N 2.88Å; H189-A192 PolarHBondContact O-N 3.32Å
193D95.6Very high94.6Very high109 Ų10952.4 Ų52.458%0.58331%0.309SS*.Hα-helixtrans-97.8-26-170.1-60.9-77.5000112.7H189H189-D193 IonicContact CE1-OD2 3.65Å; H189-D193 IonicContact CG-OD2 3.3Å; H189-D193 IonicContact ND1-OD2 3.6Å; H189-D193 PolarHBondContact ND1-OD2 2.83Å; H189-D193 WeakPolarHBondContact O-CB 3.09Å; H189-D193 PolarHBondContact O-N 3.18Å
194H93.6Very high94.6Very high57 Ų5754.1 Ų54.126%0.26433%0.329SS..Hα-helixtrans-115.1-1.4-179.2-62.1-56.4000114C172 E174 C177 H189 L190 W196C172-H194 VanDerWaalsContact SG-CD2 3.57Å; C172-H194 PolarHBondContact SG-NE2 2.78Å; E174-H194 VanDerWaalsContact CB-CE1 3.48Å; E174-H194 WeakPolarHBondContact CB-CE1 3.31Å; E174-H194 HydrophobicContact CG-CB 4.32Å; C177-H194 PolarHBondContact SG-NE2 3.46Å; H189-H194 AromaticContact CE1-CD2 3.9Å; H189-H194 AromaticContact CE1-NE2 3.65Å; H189-H194 AromaticContact NE2-CD2 3.37Å; H189-H194 PolarHBondContact NE2-CD2 3.45Å; H189-H194 AromaticContact NE2-NE2 3.21Å; H189-H194 PolarHBondContact NE2-NE2 2.8Å; L190-H194 CarbonylContact O-C 3.59Å; L190-H194 VanDerWaalsContact O-C 3.31Å; L190-H194 WeakPolarHBondContact O-CA 3.34Å; L190-H194 WeakPolarHBondContact O-CB 3.25Å; L190-H194 PolarHBondContact O-N 3.02Å; H194-W196 HydrophobicContact CB-CG 4.5Å; H194-W196 PolarHBondContact O-N 2.86Å; H194-W196 VanDerWaalsContact O-N 3.12Å
195S93.6Very high94.8Very high99 Ų9956.2 Ų56.269%0.69233%0.332SS*.  trans53.330.8178-56.70000113.5L190 V191L190-S195 PolarHBondContact O-N 3.2Å; L190-S195 VanDerWaalsContact O-N 3.09Å; V191-S195 VanDerWaalsContact O-CA 3.31Å; V191-S195 WeakPolarHBondContact O-CA 3.4Å; V191-S195 PolarHBondContact O-N 3.28Å
196W93.1Very high94.8Very high19 Ų1955.5 Ų55.57%0.07233%0.331CS..  trans-65.9133.9176.8-7623.3000109.5E174 L190 H194 R217 L219 V234 A290E174-W196 HydrophobicContact CG-CZ2 4.13Å; E174-W196 VanDerWaalsContact OE1-CE2 3.3Å; E174-W196 VanDerWaalsContact OE1-CZ2 3.22Å; E174-W196 WeakPolarHBondContact OE1-CZ2 3.43Å; E174-W196 PolarHBondContact OE1-NE1 3.12Å; L190-W196 HydrophobicContact CB-CB 4.41Å; L190-W196 HydrophobicContact CB-CD2 4.29Å; L190-W196 HydrophobicContact CB-CE3 4.42Å; L190-W196 HydrophobicContact CB-CG 4.35Å; L190-W196 HydrophobicContact CD1-CE3 4.02Å; L190-W196 HydrophobicContact CD1-CH2 4.23Å; L190-W196 HydrophobicContact CD1-CZ3 3.85Å; L190-W196 HydrophobicContact CD2-CD2 4.11Å; L190-W196 HydrophobicContact CD2-CE3 4.29Å; L190-W196 HydrophobicContact CD2-CH2 3.88Å; L190-W196 HydrophobicContact CD2-CZ2 3.72Å; L190-W196 HydrophobicContact CD2-CZ3 4.21Å; L190-W196 HydrophobicContact CG-CE3 4.49Å; L190-W196 PolarHBondContact O-N 2.99Å; H194-W196 HydrophobicContact CB-CG 4.5Å; H194-W196 PolarHBondContact O-N 2.86Å; H194-W196 VanDerWaalsContact O-N 3.12Å; W196-R217 HydrophobicContact CD2-CB 4.11Å; W196-R217 HydrophobicContact CE3-CB 3.82Å; W196-R217 HydrophobicContact CH2-CB 4.2Å; W196-R217 HydrophobicContact CH2-CG 4.27Å; W196-R217 HydrophobicContact CZ2-CB 4.4Å; W196-R217 HydrophobicContact CZ3-CB 3.86Å; W196-R217 HydrophobicContact CZ3-CG 4.31Å; W196-L219 HydrophobicContact CB-CD1 3.58Å; W196-L219 HydrophobicContact CB-CG 4.22Å; W196-L219 HydrophobicContact CE3-CD1 4.09Å; W196-L219 HydrophobicContact CE3-CD2 3.91Å; W196-L219 HydrophobicContact CE3-CG 3.82Å; W196-L219 HydrophobicContact CG-CD1 4.45Å; W196-L219 HydrophobicContact CZ3-CD2 4.24Å; W196-V234 HydrophobicContact CZ3-CG1 3.98Å; W196-V234 HydrophobicContact CZ3-CG2 4.17Å; W196-A290 HydrophobicContact CH2-CB 3.71Å; W196-A290 HydrophobicContact CZ3-CB 3.87Å
197P93.8Very high94.9Very high45 Ų4556.9 Ų56.929%0.29234%0.339SS..  trans-67.1145.2176.427.2-31.3000110E215 H218 L219P197-E215 VanDerWaalsContact CG-CD 3.41Å; P197-E215 HydrophobicContact CG-CG 4.29Å; P197-E215 WeakPolarHBondContact CG-OE1 3.45Å; P197-H218 HydrophobicContact CG-CB 4.46Å; P197-H218 WeakPolarHBondContact CG-ND1 3.29Å; P197-L219 WeakPolarHBondContact O-CB 3.39Å; P197-L219 PolarHBondContact O-N 2.86Å
198V94.9Very high94.9Very high65 Ų6558.6 Ų58.639%0.39435%0.351SS..EExtended strand (participates in β ladder)trans-131.4132.8-17862.40000110.9L187 V191 L219 V221L187-V198 HydrophobicContact CD1-CG2 4.12Å; V191-V198 HydrophobicContact CG2-CB 4.14Å; V191-V198 HydrophobicContact CG2-CG1 4.02Å; V198-L219 CarbonylContact C-O 3.53Å; V198-L219 VanDerWaalsContact CA-O 3.31Å; V198-L219 WeakPolarHBondContact CA-O 3.48Å; V198-L219 HydrophobicContact CB-CB 4.02Å; V198-L219 HydrophobicContact CG2-CB 3.96Å; V198-V221 HydrophobicContact CG2-CG2 4Å
199S95.4Very high94.7Very high28 Ų2855.9 Ų55.920%0.19633%0.328CS..EExtended strand (participates in β ladder)trans-122.4153.5172.5-670000110.8L207 H218 L219 V220 V221S199-L207 VanDerWaalsContact CB-CD2 3.46Å; S199-H218 WeakPolarHBondContact CB-NE2 3.3Å; S199-H218 PolarHBondContact OG-NE2 3.33Å; S199-L219 PolarHBondContact N-O 3.38Å; S199-V220 CarbonylContact O-C 3.56Å; S199-V220 WeakPolarHBondContact O-CA 3.1Å; S199-V221 PolarHBondContact O-N 3.49Å
200K95.1Very high94.4Very high139 Ų13960.1 Ų60.160%0.60435%0.347SS*.EExtended strand (participates in β ladder)trans-114.8142.8175.7-60.1-164.6174.5-164.90110.5V221K200-V221 WeakPolarHBondContact CA-O 3.44Å; K200-V221 HydrophobicContact CG-CB 4.29Å
201V95Very high94.1Very high7 Ų760 Ų604%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-148.5132.3177.665.80000111E205 L207 V220 V221 A222 G223V201-E205 HydrophobicContact CG2-CB 4Å; V201-L207 HydrophobicContact CB-CB 3.93Å; V201-L207 HydrophobicContact CB-CD2 4.29Å; V201-L207 HydrophobicContact CG2-CB 3.74Å; V201-V220 HydrophobicContact CG1-CG1 3.7Å; V201-V221 PolarHBondContact N-O 3.26Å; V201-A222 HydrophobicContact CG1-CB 3.99Å; V201-A222 WeakPolarHBondContact O-CA 3.28Å; V201-G223 PolarHBondContact O-N 3.17Å; V201-G223 VanDerWaalsContact O-N 3.09Å
202P94.8Very high93.7Very high73 Ų7358.9 Ų58.947%0.47434%0.34SS..  trans-62.5149.9168.5-21.333.4000111.2G204 E205P202-G204 PolarHBondContact O-N 3.14Å; P202-E205 HydrophobicContact CB-CB 4.27Å; P202-E205 HydrophobicContact CB-CG 3.87Å; P202-E205 HydrophobicContact CG-CB 4.45Å; P202-E205 HydrophobicContact CG-CG 4.08Å; P202-E205 PolarHBondContact O-N 3.46Å
203Y94.2Very high93Very high54 Ų5458 Ų5821%0.21232%0.324CS..THydrogen-bonded Turntrans-59.5136173.7-67.8-60.2000110.9E205 A222 G223 D229 R231 F233 Y261 I328 I330Y203-E205 VanDerWaalsContact C-N 3.25Å; Y203-E205 PolarHBondContact O-N 3.02Å; Y203-A222 HydrophobicContact CD1-CB 3.79Å; Y203-A222 HydrophobicContact CE1-CB 3.48Å; Y203-A222 VanDerWaalsContact CE1-CB 3.48Å; Y203-A222 VanDerWaalsContact CZ-O 3.32Å; Y203-A222 PolarHBondContact OH-O 3.1Å; Y203-A222 VanDerWaalsContact OH-O 3.12Å; Y203-G223 VanDerWaalsContact CE2-CA 3.47Å; Y203-D229 WeakPolarHBondContact CE2-O 3.49Å; Y203-D229 PolarHBondContact OH-O 3.08Å; Y203-R231 WeakPolarHBondContact OH-CB 3.15Å; Y203-R231 VanDerWaalsContact OH-CG 3.25Å; Y203-R231 WeakPolarHBondContact OH-CG 3.15Å; Y203-F233 HydrophobicContact CE1-CE2 4.28Å; Y203-F233 HydrophobicContact CE1-CZ 4.37Å; Y203-Y261 AromaticContact CE1-CD1 3.99Å; Y203-Y261 HydrophobicContact CE1-CD1 3.99Å; Y203-Y261 AromaticContact CE1-CE1 3.84Å; Y203-Y261 HydrophobicContact CE1-CE1 3.84Å; Y203-Y261 AromaticContact CZ-CE1 3.9Å; Y203-I328 CarbonylContact C-O 3.56Å; Y203-I328 VanDerWaalsContact CA-O 3.3Å; Y203-I328 WeakPolarHBondContact CA-O 3.38Å; Y203-I328 HydrophobicContact CD1-CG2 4.16Å; Y203-I328 HydrophobicContact CE1-CG2 4.17Å; Y203-I330 HydrophobicContact CD1-CG1 4.4Å; Y203-I330 HydrophobicContact CD2-CD1 4Å; Y203-I330 HydrophobicContact CD2-CG1 4.25Å; Y203-I330 HydrophobicContact CE2-CD1 4.09Å; Y203-I330 HydrophobicContact CE2-CG1 4.37Å; Y203-I330 HydrophobicContact CG-CD1 4.49Å; Y203-I330 HydrophobicContact CG-CG1 4.28Å
204G93.2Very high92.2Very high47 Ų4757.2 Ų57.249%0.48533%0.327SS..THydrogen-bonded Turntrans83.5-15.7-179.200000115.3P202 S327 I328P202-G204 PolarHBondContact O-N 3.14Å; G204-S327 PolarHBondContact O-OG 3.34Å; G204-I328 PolarHBondContact N-O 2.78Å
205E95.2Very high91.6Very high119 Ų11956.3 Ų56.356%0.55632%0.322SS*.  trans-79.2162.6174.7-72-66.716400111.7V201 P202 Y203 S327V201-E205 HydrophobicContact CG2-CB 4Å; P202-E205 HydrophobicContact CB-CB 4.27Å; P202-E205 HydrophobicContact CB-CG 3.87Å; P202-E205 HydrophobicContact CG-CB 4.45Å; P202-E205 HydrophobicContact CG-CG 4.08Å; P202-E205 PolarHBondContact O-N 3.46Å; Y203-E205 VanDerWaalsContact C-N 3.25Å; Y203-E205 PolarHBondContact O-N 3.02Å; E205-S327 WeakPolarHBondContact O-CA 3.01Å; E205-S327 VanDerWaalsContact O-CB 3.3Å; E205-S327 WeakPolarHBondContact O-CB 3.17Å; E205-S327 PolarHBondContact O-OG 2.9Å
206V95.7Very high91.2Very high59 Ų5956.4 Ų56.436%0.35831%0.308SS..EExtended strand (participates in β ladder)trans-105.8114.5178.6-178.40000110.2R325V206-R325 HydrophobicContact CG1-CB 3.86Å; V206-R325 HydrophobicContact CG1-CG 4.46Å
207L95.2Very high91Very high29 Ų2956.5 Ų56.515%0.15231%0.308CS..EExtended strand (participates in β ladder)trans-89137.8170.2176.865.5000109.9S199 V201 I209 V220 R325 L326S199-L207 VanDerWaalsContact CB-CD2 3.46Å; V201-L207 HydrophobicContact CB-CB 3.93Å; V201-L207 HydrophobicContact CB-CD2 4.29Å; V201-L207 HydrophobicContact CG2-CB 3.74Å; L207-I209 HydrophobicContact CD2-CD1 3.7Å; L207-I209 HydrophobicContact CD2-CG1 3.75Å; L207-I209 HydrophobicContact CG-CD1 4.22Å; L207-I209 HydrophobicContact CG-CG1 3.74Å; L207-V220 HydrophobicContact CD2-CG1 4.18Å; L207-V220 HydrophobicContact CD2-CG2 4.43Å; L207-R325 CarbonylContact O-C 3.44Å; L207-R325 VanDerWaalsContact O-CA 3.28Å; L207-R325 WeakPolarHBondContact O-CA 2.78Å; L207-L326 PolarHBondContact N-O 3.02Å; L207-L326 PolarHBondContact O-N 3.32Å
208T94.3Very high91Very high71 Ų7154.9 Ų54.944%0.43630%0.297SS..EExtended strand (participates in β ladder)trans-108.7123.4172.6-56.80000109.1L323 R325T208-L323 HydrophobicContact CG2-CD1 3.36Å; T208-L323 HydrophobicContact CG2-CG 4.15Å; T208-R325 HydrophobicContact CG2-CG 4.27Å
209I92.2Very high91Very high5 Ų551.8 Ų51.83%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-122.1125.2-176-47.1174.6000108L207 V211 V220 L235 I324 L326L207-I209 HydrophobicContact CD2-CD1 3.7Å; L207-I209 HydrophobicContact CD2-CG1 3.75Å; L207-I209 HydrophobicContact CG-CD1 4.22Å; L207-I209 HydrophobicContact CG-CG1 3.74Å; I209-V211 HydrophobicContact CB-CG2 4.13Å; I209-V211 HydrophobicContact CG2-CG2 3.6Å; I209-V220 HydrophobicContact CD1-CG2 4.1Å; I209-L235 HydrophobicContact CD1-CD1 4.21Å; I209-I324 PolarHBondContact N-O 3.24Å; I209-I324 PolarHBondContact O-N 3.41Å; I209-L326 HydrophobicContact CD1-CD2 4.31Å
210H90.4Very high91Very high103 Ų10350.5 Ų50.548%0.47727%0.269SS..EExtended strand (participates in β ladder)trans-86.9109.9166.3-70.4-111.8000107P212 E321 L323H210-P212 WeakPolarHBondContact O-CD 3.11Å; H210-E321 IonicContact CE1-OE1 3.5Å; H210-E321 IonicContact CG-OE1 3.68Å; H210-E321 IonicContact ND1-OE1 2.74Å; H210-E321 PolarHBondContact ND1-OE1 3.44Å; H210-E321 IonicContact ND1-OE2 2.82Å; H210-L323 WeakPolarHBondContact NE2-CD1 2.96Å
211V89.3Confident91.1Very high0 Ų044.1 Ų44.10%024%0.242CC..EExtended strand (participates in β ladder)trans-105.4108.5-177.4-172.50000108.4I209 E215 L235 V237 E321 M322 I324I209-V211 HydrophobicContact CB-CG2 4.13Å; I209-V211 HydrophobicContact CG2-CG2 3.6Å; V211-E215 HydrophobicContact CG1-CB 4Å; V211-E215 HydrophobicContact CG1-CG 4.23Å; V211-L235 HydrophobicContact CG2-CD2 4.25Å; V211-V237 HydrophobicContact CG1-CG2 3.84Å; V211-E321 CarbonylContact O-C 3.46Å; V211-E321 WeakPolarHBondContact O-CA 3.42Å; V211-M322 HydrophobicContact CB-CG 3.82Å; V211-M322 PolarHBondContact N-O 2.84Å; V211-M322 WeakPolarHBondContact O-CG 3.34Å; V211-M322 PolarHBondContact O-N 3.1Å; V211-I324 HydrophobicContact CG2-CB 4.43Å; V211-I324 HydrophobicContact CG2-CG1 4.09Å
212P87.2Confident91.1Very high33 Ų3343.8 Ų43.821%0.21424%0.24CC..EExtended strand (participates in β ladder)trans-56147172.6-24.433.2000111.3H210 S214 E215H210-P212 WeakPolarHBondContact O-CD 3.11Å; P212-S214 PolarHBondContact O-N 3.25Å; P212-S214 VanDerWaalsContact O-N 3.13Å; P212-E215 HydrophobicContact CB-CB 4.11Å; P212-E215 WeakPolarHBondContact CD-OE2 3.2Å; P212-E215 HydrophobicContact CG-CB 4.21Å; P212-E215 WeakPolarHBondContact O-CB 3.38Å; P212-E215 PolarHBondContact O-N 2.84Å
213E81.1Confident90.9Very high57 Ų5740.7 Ų40.727%0.26622%0.22SC..THydrogen-bonded Turntrans-61-25.1176-178.1175.4-163.700112.2R216 R244 K320E213-R216 PolarHBondContact O-NH1 3.21Å; E213-R244 IonicContact OE1-NH1 3.83Å; E213-K320 HydrophobicContact CB-CB 4.23Å; E213-K320 WeakPolarHBondContact CB-O 3.34Å; E213-K320 PolarHBondContact N-O 3.03Å
214S79.4Confident90.5Very high93 Ų9341.4 Ų41.465%0.6524%0.237SC*.THydrogen-bonded Turntrans-76.8-23.6172.755.30000113.5P212 R216P212-S214 PolarHBondContact O-N 3.25Å; P212-S214 VanDerWaalsContact O-N 3.13Å; S214-R216 PolarHBondContact O-N 2.91Å
215E81.2Confident89.8Confident37 Ų3743.5 Ų43.517%0.17325%0.251CS..  trans-76.7117.6179.9-172.5170.2130.800109.4P197 V211 P212 H218P197-E215 VanDerWaalsContact CG-CD 3.41Å; P197-E215 HydrophobicContact CG-CG 4.29Å; P197-E215 WeakPolarHBondContact CG-OE1 3.45Å; V211-E215 HydrophobicContact CG1-CB 4Å; V211-E215 HydrophobicContact CG1-CG 4.23Å; P212-E215 HydrophobicContact CB-CB 4.11Å; P212-E215 WeakPolarHBondContact CD-OE2 3.2Å; P212-E215 HydrophobicContact CG-CB 4.21Å; P212-E215 WeakPolarHBondContact O-CB 3.38Å; P212-E215 PolarHBondContact O-N 2.84Å; E215-H218 WeakPolarHBondContact OE1-CB 3.21Å; E215-H218 IonicContact OE1-CE1 3.75Å; E215-H218 IonicContact OE1-CG 3.54Å; E215-H218 IonicContact OE1-ND1 3.71Å; E215-H218 PolarHBondContact OE1-ND1 2.78Å
216R84.4Confident88.8Confident102 Ų10241.1 Ų41.139%0.38526%0.257SS..  trans-90.4-26.2-180-66-70.2178.1-110.3-4.7112E213 S214 S236 V237E213-R216 PolarHBondContact O-NH1 3.21Å; S214-R216 PolarHBondContact O-N 2.91Å; R216-S236 CarbonylContact O-C 3.56Å; R216-S236 WeakPolarHBondContact O-CA 3.23Å; R216-V237 VanDerWaalsContact CD-O 3.31Å; R216-V237 WeakPolarHBondContact CD-O 3.32Å; R216-V237 PolarHBondContact O-N 3.18Å
217R90Very high87.9Confident20 Ų2039.7 Ų39.78%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-149.2138.1-169-66.6-172.8-77.3-98.61.8111.8E174 W196 V234 L235 P291 G293E174-R217 IonicContact OE1-CZ 3.74Å; E174-R217 IonicContact OE1-NE 2.92Å; E174-R217 IonicContact OE1-NH2 2.88Å; E174-R217 PolarHBondContact OE1-NH2 2.82Å; E174-R217 IonicContact OE2-NH2 2.68Å; E174-R217 PolarHBondContact OE2-NH2 3.31Å; W196-R217 HydrophobicContact CD2-CB 4.11Å; W196-R217 HydrophobicContact CE3-CB 3.82Å; W196-R217 HydrophobicContact CH2-CB 4.2Å; W196-R217 HydrophobicContact CH2-CG 4.27Å; W196-R217 HydrophobicContact CZ2-CB 4.4Å; W196-R217 HydrophobicContact CZ3-CB 3.86Å; W196-R217 HydrophobicContact CZ3-CG 4.31Å; R217-V234 HydrophobicContact CB-CG1 4.32Å; R217-V234 HydrophobicContact CG-CG1 4.32Å; R217-L235 CarbonylContact C-O 3.5Å; R217-L235 VanDerWaalsContact CA-O 3.31Å; R217-L235 WeakPolarHBondContact CA-O 3.45Å; R217-P291 WeakPolarHBondContact CD-O 3.46Å; R217-P291 VanDerWaalsContact CZ-O 3.25Å; R217-P291 PolarHBondContact NE-O 3.27Å; R217-P291 VanDerWaalsContact NE-O 3.11Å; R217-P291 PolarHBondContact NH1-O 3.34Å; R217-P291 VanDerWaalsContact NH1-O 3.17Å; R217-G293 PolarHBondContact NH1-O 3.5Å
218H93.2Very high87.2Confident12 Ų1246 Ų466%0.05629%0.289CS..EExtended strand (participates in β ladder)trans-134.3128.8176.7-162.9101.2000109.6P197 S199 E215 L235P197-H218 HydrophobicContact CG-CB 4.46Å; P197-H218 WeakPolarHBondContact CG-ND1 3.29Å; S199-H218 WeakPolarHBondContact CB-NE2 3.3Å; S199-H218 PolarHBondContact OG-NE2 3.33Å; E215-H218 WeakPolarHBondContact OE1-CB 3.21Å; E215-H218 IonicContact OE1-CE1 3.75Å; E215-H218 IonicContact OE1-CG 3.54Å; E215-H218 IonicContact OE1-ND1 3.71Å; E215-H218 PolarHBondContact OE1-ND1 2.78Å; H218-L235 HydrophobicContact CB-CB 4.29Å; H218-L235 HydrophobicContact CB-CD2 4.41Å; H218-L235 PolarHBondContact N-O 2.76Å; H218-L235 PolarHBondContact O-N 3.49Å
219L95Very high86.7Confident0 Ų047.6 Ų47.60%030%0.295CS..EExtended strand (participates in β ladder)trans-83.6134177.5-66.8157.8000109.8L187 L190 V191 W196 P197 V198 S199 V232 V234L187-L219 HydrophobicContact CD1-CB 4.12Å; L187-L219 HydrophobicContact CD1-CD1 3.99Å; L187-L219 HydrophobicContact CD1-CD2 4.29Å; L187-L219 HydrophobicContact CD1-CG 4.34Å; L190-L219 HydrophobicContact CB-CD1 3.79Å; L190-L219 HydrophobicContact CD1-CD1 4.37Å; L190-L219 HydrophobicContact CD1-CD2 3.87Å; V191-L219 HydrophobicContact CG2-CD1 3.94Å; W196-L219 HydrophobicContact CB-CD1 3.58Å; W196-L219 HydrophobicContact CB-CG 4.22Å; W196-L219 HydrophobicContact CE3-CD1 4.09Å; W196-L219 HydrophobicContact CE3-CD2 3.91Å; W196-L219 HydrophobicContact CE3-CG 3.82Å; W196-L219 HydrophobicContact CG-CD1 4.45Å; W196-L219 HydrophobicContact CZ3-CD2 4.24Å; P197-L219 WeakPolarHBondContact O-CB 3.39Å; P197-L219 PolarHBondContact O-N 2.86Å; V198-L219 CarbonylContact C-O 3.53Å; V198-L219 VanDerWaalsContact CA-O 3.31Å; V198-L219 WeakPolarHBondContact CA-O 3.48Å; V198-L219 HydrophobicContact CB-CB 4.02Å; V198-L219 HydrophobicContact CG2-CB 3.96Å; S199-L219 PolarHBondContact N-O 3.38Å; L219-V232 HydrophobicContact CD2-CG1 4.15Å; L219-V234 HydrophobicContact CD2-CG2 3.88Å
220V95.6Very high86.6Confident0 Ų050.1 Ų50.10%031%0.306CS..EExtended strand (participates in β ladder)trans-124.7117.5175.8-178.70000108S199 V201 L207 I209 F233 L326 I328S199-V220 CarbonylContact O-C 3.56Å; S199-V220 WeakPolarHBondContact O-CA 3.1Å; V201-V220 HydrophobicContact CG1-CG1 3.7Å; L207-V220 HydrophobicContact CD2-CG1 4.18Å; L207-V220 HydrophobicContact CD2-CG2 4.43Å; I209-V220 HydrophobicContact CD1-CG2 4.1Å; V220-F233 HydrophobicContact CB-CB 4.26Å; V220-F233 PolarHBondContact N-O 2.95Å; V220-F233 WeakPolarHBondContact O-CB 3.35Å; V220-F233 PolarHBondContact O-N 3.48Å; V220-L326 HydrophobicContact CB-CD2 4.29Å; V220-L326 HydrophobicContact CG1-CD2 4.04Å; V220-L326 HydrophobicContact CG2-CD2 3.75Å; V220-I328 HydrophobicContact CG1-CD1 4.05Å
221V95.9Very high86.7Confident6 Ų647.8 Ų47.84%0.03629%0.294CS..EExtended strand (participates in β ladder)trans-95112.6171.9-176.90000107.5L187 V198 S199 K200 V201 E230 R231L187-V221 HydrophobicContact CD1-CG2 3.96Å; L187-V221 HydrophobicContact CD2-CG2 3.66Å; L187-V221 HydrophobicContact CG-CG2 4.49Å; V198-V221 HydrophobicContact CG2-CG2 4Å; S199-V221 PolarHBondContact O-N 3.49Å; K200-V221 WeakPolarHBondContact CA-O 3.44Å; K200-V221 HydrophobicContact CG-CB 4.29Å; V201-V221 PolarHBondContact N-O 3.26Å; V221-E230 HydrophobicContact CG1-CB 4.19Å; V221-E230 HydrophobicContact CG1-CG 4.29Å; V221-R231 WeakPolarHBondContact CA-O 3.25Å
222A95Very high86.9Confident0 Ų048.3 Ų48.30%030%0.296CS..EExtended strand (participates in β ladder)trans-105.6136.2178.500000111.7V201 Y203 E230 R231 F233 I328V201-A222 HydrophobicContact CG1-CB 3.99Å; V201-A222 WeakPolarHBondContact O-CA 3.28Å; Y203-A222 HydrophobicContact CD1-CB 3.79Å; Y203-A222 HydrophobicContact CE1-CB 3.48Å; Y203-A222 VanDerWaalsContact CE1-CB 3.48Å; Y203-A222 VanDerWaalsContact CZ-O 3.32Å; Y203-A222 PolarHBondContact OH-O 3.1Å; Y203-A222 VanDerWaalsContact OH-O 3.12Å; A222-E230 WeakPolarHBondContact O-CA 3.49Å; A222-R231 PolarHBondContact N-O 3.2Å; A222-R231 PolarHBondContact O-N 3.38Å; A222-F233 HydrophobicContact CB-CD2 3.93Å; A222-F233 HydrophobicContact CB-CE2 3.62Å; A222-I328 HydrophobicContact CB-CB 4.29Å; A222-I328 HydrophobicContact CB-CD1 4.24Å; A222-I328 HydrophobicContact CB-CG2 4.33Å
223G92Very high87.2Confident7 Ų746.7 Ų46.77%0.07229%0.286CS..SBendtrans142.6176.4-178.600000113.8V201 Y203V201-G223 PolarHBondContact O-N 3.17Å; V201-G223 VanDerWaalsContact O-N 3.09Å; Y203-G223 VanDerWaalsContact CE2-CA 3.47Å
224A85.1Confident87.8Confident69 Ų6944 Ų4457%0.5727%0.274SS*.SBendtrans-69.3130.4169.600000108.9G226 G227 E230A224-G226 PolarHBondContact O-N 3.32Å; A224-G226 VanDerWaalsContact O-N 3.08Å; A224-G227 PolarHBondContact O-N 3.36Å; A224-E230 WeakPolarHBondContact O-CG 3.45Å
225A78.4Confident88.5Confident92 Ų9239.6 Ų39.676%0.7624%0.243SC*.THydrogen-bonded Turntrans-54.6117.4-17500000111.5G227 E230A225-G227 VanDerWaalsContact C-N 3.3Å; A225-G227 PolarHBondContact O-N 3.27Å; A225-E230 VanDerWaalsContact CA-OE1 3.31Å; A225-E230 WeakPolarHBondContact CA-OE1 3.47Å
226G74.2Confident89Confident68 Ų6837.9 Ų37.970%0.70124%0.235SC*.THydrogen-bonded Turntrans73.912.5-17900000115.6A224 E230A224-G226 PolarHBondContact O-N 3.32Å; A224-G226 VanDerWaalsContact O-N 3.08Å; G226-E230 PolarHBondContact N-OE1 3.3Å
227G77.5Confident89.3Confident30 Ų3033 Ų3331%0.30922%0.217SC..  trans-84.1155.5172.300000112.8A224 A225 D229 E230A224-G227 PolarHBondContact O-N 3.36Å; A225-G227 VanDerWaalsContact C-N 3.3Å; A225-G227 PolarHBondContact O-N 3.27Å; G227-D229 PolarHBondContact O-N 2.9Å; G227-E230 PolarHBondContact O-N 2.86Å; G227-E230 VanDerWaalsContact O-N 3.12Å
228D78.9Confident89.2Confident160 Ų16032.2 Ų32.286%0.85621%0.214SC*.THydrogen-bonded Turntrans-63.7-12.4177-70.5-21.9000113.5R231D228-R231 PolarHBondContact O-NH1 2.88Å
229D84.3Confident89Confident105 Ų10534.5 Ų34.556%0.56124%0.235SC*.THydrogen-bonded Turntrans-90.71.5178-65.7-32.4000114.1Y203 G227 R231Y203-D229 WeakPolarHBondContact CE2-O 3.49Å; Y203-D229 PolarHBondContact OH-O 3.08Å; G227-D229 PolarHBondContact O-N 2.9Å; D229-R231 PolarHBondContact O-N 2.84Å
230E89.7Confident88.6Confident58 Ų5837.4 Ų37.427%0.27125%0.25SS..  trans-60.4132.1172.7-76.1-170.3154.700110.5V221 A222 A224 A225 G226 G227V221-E230 HydrophobicContact CG1-CB 4.19Å; V221-E230 HydrophobicContact CG1-CG 4.29Å; A222-E230 WeakPolarHBondContact O-CA 3.49Å; A224-E230 WeakPolarHBondContact O-CG 3.45Å; A225-E230 VanDerWaalsContact CA-OE1 3.31Å; A225-E230 WeakPolarHBondContact CA-OE1 3.47Å; G226-E230 PolarHBondContact N-OE1 3.3Å; G227-E230 PolarHBondContact O-N 2.86Å; G227-E230 VanDerWaalsContact O-N 3.12Å
231R92.6Very high88.3Confident55 Ų5540.9 Ų40.921%0.20829%0.286CS..EExtended strand (participates in β ladder)trans-132.9148.9177.3-61.3-72.7-178.2-81.4-5.5110.6Y203 V221 A222 D228 D229 F233 Y261Y203-R231 WeakPolarHBondContact OH-CB 3.15Å; Y203-R231 VanDerWaalsContact OH-CG 3.25Å; Y203-R231 WeakPolarHBondContact OH-CG 3.15Å; V221-R231 WeakPolarHBondContact CA-O 3.25Å; A222-R231 PolarHBondContact N-O 3.2Å; A222-R231 PolarHBondContact O-N 3.38Å; D228-R231 PolarHBondContact O-NH1 2.88Å; D229-R231 PolarHBondContact O-N 2.84Å; R231-F233 HydrophobicContact CB-CE2 3.66Å; R231-F233 HydrophobicContact CB-CZ 4.07Å; R231-F233 WeakPolarHBondContact O-CD2 3.22Å; R231-Y261 WeakPolarHBondContact CG-OH 3.11Å
232V93.7Very high87.9Confident10 Ų1046.4 Ų46.46%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-97.8130.8-176.9-1760000108.9L187 L219 V251L187-V232 HydrophobicContact CB-CG1 4.31Å; L187-V232 HydrophobicContact CB-CG2 3.97Å; L187-V232 HydrophobicContact CD1-CG1 4.01Å; L187-V232 HydrophobicContact CD1-CG2 4.44Å; L187-V232 HydrophobicContact CD2-CG2 4.07Å; L187-V232 HydrophobicContact CG-CG2 4.39Å; L219-V232 HydrophobicContact CD2-CG1 4.15Å; V232-V251 HydrophobicContact CB-CB 4.11Å; V232-V251 HydrophobicContact CB-CG2 4.38Å; V232-V251 HydrophobicContact CG1-CB 4.12Å; V232-V251 HydrophobicContact CG1-CG2 3.9Å; V232-V251 PolarHBondContact O-N 3.46Å
233F94.2Very high87.6Confident0 Ų047 Ų470%032%0.324CS..EExtended strand (participates in β ladder)trans-124.2153.1175.6-58.8-97.6000109.3Y203 V220 A222 R231 V248 A249 C250 Y261 V284 I328Y203-F233 HydrophobicContact CE1-CE2 4.28Å; Y203-F233 HydrophobicContact CE1-CZ 4.37Å; V220-F233 HydrophobicContact CB-CB 4.26Å; V220-F233 PolarHBondContact N-O 2.95Å; V220-F233 WeakPolarHBondContact O-CB 3.35Å; V220-F233 PolarHBondContact O-N 3.48Å; A222-F233 HydrophobicContact CB-CD2 3.93Å; A222-F233 HydrophobicContact CB-CE2 3.62Å; R231-F233 HydrophobicContact CB-CE2 3.66Å; R231-F233 HydrophobicContact CB-CZ 4.07Å; R231-F233 WeakPolarHBondContact O-CD2 3.22Å; F233-V248 HydrophobicContact CB-CG1 4.21Å; F233-V248 HydrophobicContact CD1-CG1 4.26Å; F233-A249 CarbonylContact C-O 3.5Å; F233-A249 WeakPolarHBondContact CA-O 3.3Å; F233-C250 HydrophobicContact CD1-CB 3.86Å; F233-C250 HydrophobicContact CE1-CB 3.71Å; F233-Y261 HydrophobicContact CE1-CD1 4.34Å; F233-Y261 AromaticContact CE1-CD2 3.86Å; F233-Y261 HydrophobicContact CE1-CD2 3.86Å; F233-Y261 HydrophobicContact CE1-CE2 4.47Å; F233-Y261 AromaticContact CE1-CG 3.82Å; F233-Y261 HydrophobicContact CE1-CG 3.82Å; F233-Y261 AromaticContact CZ-CD1 3.77Å; F233-Y261 HydrophobicContact CZ-CD1 3.77Å; F233-Y261 AromaticContact CZ-CD2 3.89Å; F233-Y261 HydrophobicContact CZ-CD2 3.89Å; F233-Y261 HydrophobicContact CZ-CE1 4.03Å; F233-Y261 HydrophobicContact CZ-CE2 4.17Å; F233-Y261 AromaticContact CZ-CG 3.72Å; F233-Y261 HydrophobicContact CZ-CG 3.72Å; F233-V284 HydrophobicContact CD1-CG1 3.98Å; F233-V284 HydrophobicContact CE1-CG1 4.04Å; F233-I328 HydrophobicContact CB-CD1 4Å; F233-I328 HydrophobicContact CD1-CD1 3.93Å; F233-I328 HydrophobicContact CD2-CD1 3.75Å; F233-I328 HydrophobicContact CE1-CD1 4.35Å; F233-I328 HydrophobicContact CE1-CG2 3.92Å; F233-I328 HydrophobicContact CE2-CD1 4.22Å; F233-I328 HydrophobicContact CE2-CG2 4.12Å; F233-I328 HydrophobicContact CG-CD1 3.61Å; F233-I328 HydrophobicContact CZ-CD1 4.5Å; F233-I328 HydrophobicContact CZ-CG2 3.71Å
234V94.3Very high87.6Confident0 Ų048.1 Ų48.10%033%0.326CS..EExtended strand (participates in β ladder)trans-119.9119.2173.5-179.40000107.8W196 R217 L219 V248 A249 V251 A290W196-V234 HydrophobicContact CZ3-CG1 3.98Å; W196-V234 HydrophobicContact CZ3-CG2 4.17Å; R217-V234 HydrophobicContact CB-CG1 4.32Å; R217-V234 HydrophobicContact CG-CG1 4.32Å; L219-V234 HydrophobicContact CD2-CG2 3.88Å; V234-V248 WeakPolarHBondContact O-CA 3.25Å; V234-A249 PolarHBondContact N-O 3.35Å; V234-A249 PolarHBondContact O-N 2.84Å; V234-V251 HydrophobicContact CG2-CG2 3.47Å; V234-V251 VanDerWaalsContact CG2-CG2 3.47Å; V234-A290 HydrophobicContact CG2-CB 3.94Å
235L93.7Very high87.9Confident1 Ų145.1 Ų45.11%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-83.7118.8162.8-178.8151.7000107.7I209 V211 R217 H218 V237 V246 S247 V248 L265 I324 L326I209-L235 HydrophobicContact CD1-CD1 4.21Å; V211-L235 HydrophobicContact CG2-CD2 4.25Å; R217-L235 CarbonylContact C-O 3.5Å; R217-L235 VanDerWaalsContact CA-O 3.31Å; R217-L235 WeakPolarHBondContact CA-O 3.45Å; H218-L235 HydrophobicContact CB-CB 4.29Å; H218-L235 HydrophobicContact CB-CD2 4.41Å; H218-L235 PolarHBondContact N-O 2.76Å; H218-L235 PolarHBondContact O-N 3.49Å; L235-V237 HydrophobicContact CD2-CG2 3.76Å; L235-V246 HydrophobicContact CD1-CG1 4.07Å; L235-V246 HydrophobicContact CD2-CG1 3.95Å; L235-V246 HydrophobicContact CG-CG1 3.86Å; L235-S247 CarbonylContact C-O 3.53Å; L235-S247 WeakPolarHBondContact CA-O 3.47Å; L235-V248 HydrophobicContact CB-CG2 4.32Å; L235-V248 HydrophobicContact CD1-CG2 4.5Å; L235-V248 HydrophobicContact CG-CG2 4.43Å; L235-L265 HydrophobicContact CD1-CD2 4.19Å; L235-I324 HydrophobicContact CD1-CG2 3.96Å; L235-L326 HydrophobicContact CD1-CD2 4.41Å
236S91.8Very high88.6Confident1 Ų140.7 Ų40.71%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-111.4137.2-179.3-60.40000110.2R216 V246 S247R216-S236 CarbonylContact O-C 3.56Å; R216-S236 WeakPolarHBondContact O-CA 3.23Å; S236-V246 WeakPolarHBondContact O-CA 3.22Å; S236-S247 PolarHBondContact N-O 3.1Å; S236-S247 PolarHBondContact O-N 3.32Å
237V90.7Very high89.4Confident0 Ų038.5 Ų38.50%024%0.238CC..EExtended strand (participates in β ladder)trans-117.9113176.1-1750000109.4V211 R216 L235 R244 A245 V246 M322V211-V237 HydrophobicContact CG1-CG2 3.84Å; R216-V237 VanDerWaalsContact CD-O 3.31Å; R216-V237 WeakPolarHBondContact CD-O 3.32Å; R216-V237 PolarHBondContact O-N 3.18Å; L235-V237 HydrophobicContact CD2-CG2 3.76Å; V237-R244 HydrophobicContact CG1-CB 4.23Å; V237-A245 CarbonylContact C-O 3.31Å; V237-A245 WeakPolarHBondContact CA-O 3.39Å; V237-V246 HydrophobicContact CG2-CG2 4.23Å; V237-M322 HydrophobicContact CG1-CE 3.72Å; V237-M322 HydrophobicContact CG1-SD 4.25Å; V237-M322 HydrophobicContact CG2-SD 4.42Å
238G88.4Confident90.2Very high2 Ų237.5 Ų37.52%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-109.6163.1176.500000112.7R244 A245G238-R244 WeakPolarHBondContact O-CA 3.42Å; G238-A245 PolarHBondContact N-O 3.14Å; G238-A245 PolarHBondContact O-N 2.94Å
239A87.6Confident90.8Very high60 Ų6030.5 Ų30.550%0.49619%0.191SC..EExtended strand (participates in β ladder)trans-81.9135.9170.600000110.4
240L87.5Confident91.2Very high62 Ų6225.6 Ų25.633%0.32517%0.165SC..EExtended strand (participates in β ladder)trans-135.186.3174.3-179.164.5000109.4V242 A243 A245 V297 F303 T305L240-V242 PolarHBondContact O-N 3.15Å; L240-A243 CarbonylContact C-O 3.59Å; L240-A243 PolarHBondContact N-O 3.07Å; L240-A243 CarbonylContact O-C 3.49Å; L240-A243 WeakPolarHBondContact O-CA 3.41Å; L240-A243 WeakPolarHBondContact O-CB 3.47Å; L240-A243 PolarHBondContact O-N 3.35Å; L240-A245 HydrophobicContact CB-CB 4.11Å; L240-A245 HydrophobicContact CD2-CB 4.4Å; L240-V297 HydrophobicContact CD1-CG2 4.29Å; L240-F303 HydrophobicContact CD2-CD2 4.21Å; L240-F303 HydrophobicContact CD2-CE2 3.43Å; L240-F303 VanDerWaalsContact CD2-CE2 3.43Å; L240-F303 HydrophobicContact CD2-CZ 4.06Å; L240-T305 HydrophobicContact CD2-CG2 4.19Å
241G88.9Confident91.3Very high72 Ų7223.1 Ų23.174%0.74215%0.154SC*.THydrogen-bonded Turntrans56.1-125.8-168.700000110.8A243G241-A243 VanDerWaalsContact C-N 3.35Å
242V86.7Confident91.2Very high123 Ų12321.4 Ų21.475%0.74515%0.147SC*.THydrogen-bonded Turntrans-76.7-22.4174-61.60000112.9L240 P308L240-V242 PolarHBondContact O-N 3.15Å; V242-P308 HydrophobicContact CB-CG 4.18Å; V242-P308 HydrophobicContact CG2-CG 4.19Å; V242-P308 WeakPolarHBondContact O-CG 3.44Å
243A90.3Very high90.9Very high11 Ų1122.4 Ų22.49%0.09116%0.156CC..EExtended strand (participates in β ladder)trans-84.6177.1-18000000111.7L240 G241 T305 V306L240-A243 CarbonylContact C-O 3.59Å; L240-A243 PolarHBondContact N-O 3.07Å; L240-A243 CarbonylContact O-C 3.49Å; L240-A243 WeakPolarHBondContact O-CA 3.41Å; L240-A243 WeakPolarHBondContact O-CB 3.47Å; L240-A243 PolarHBondContact O-N 3.35Å; G241-A243 VanDerWaalsContact C-N 3.35Å; A243-T305 HydrophobicContact CB-CG2 3.73Å; A243-V306 WeakPolarHBondContact CB-O 3.4Å
244R90.6Very high90.3Very high32 Ų3224.3 Ų24.312%0.12117%0.167CC..EExtended strand (participates in β ladder)trans-112.4146.2169-58.5-68.493.71503109.4E213 V237 G238 T305 V306 L311 M322E213-R244 IonicContact OE1-NH1 3.83Å; V237-R244 HydrophobicContact CG1-CB 4.23Å; G238-R244 WeakPolarHBondContact O-CA 3.42Å; R244-T305 CarbonylContact O-C 3.58Å; R244-T305 WeakPolarHBondContact O-CA 3.25Å; R244-V306 HydrophobicContact CB-CB 4.32Å; R244-V306 PolarHBondContact N-O 3.33Å; R244-V306 PolarHBondContact O-N 3.1Å; R244-L311 HydrophobicContact CG-CD2 4.44Å; R244-M322 HydrophobicContact CB-CE 4.11Å; R244-M322 HydrophobicContact CG-CE 3.84Å
245A91.8Very high89.5Confident5 Ų527.5 Ų27.54%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-106.7124.3171.200000108.6V237 G238 L240 V297 F303V237-A245 CarbonylContact C-O 3.31Å; V237-A245 WeakPolarHBondContact CA-O 3.39Å; G238-A245 PolarHBondContact N-O 3.14Å; G238-A245 PolarHBondContact O-N 2.94Å; L240-A245 HydrophobicContact CB-CB 4.11Å; L240-A245 HydrophobicContact CD2-CB 4.4Å; A245-V297 HydrophobicContact CB-CG2 3.91Å; A245-F303 HydrophobicContact CB-CB 4.11Å; A245-F303 HydrophobicContact CB-CD2 3.69Å; A245-F303 HydrophobicContact CB-CE2 4.37Å; A245-F303 HydrophobicContact CB-CG 3.93Å
246V92.6Very high88.7Confident0 Ų030.9 Ų30.90%022%0.221CC..EExtended strand (participates in β ladder)trans-111.6120.2176.9-174.80000109L235 S236 V237 L265 F303 L304 V306 M322 I324L235-V246 HydrophobicContact CD1-CG1 4.07Å; L235-V246 HydrophobicContact CD2-CG1 3.95Å; L235-V246 HydrophobicContact CG-CG1 3.86Å; S236-V246 WeakPolarHBondContact O-CA 3.22Å; V237-V246 HydrophobicContact CG2-CG2 4.23Å; V246-L265 HydrophobicContact CG1-CD1 4.06Å; V246-L265 HydrophobicContact CG1-CD2 4.48Å; V246-F303 CarbonylContact O-C 3.57Å; V246-F303 VanDerWaalsContact O-CA 3.31Å; V246-F303 WeakPolarHBondContact O-CA 3.42Å; V246-L304 HydrophobicContact CB-CB 4.45Å; V246-L304 PolarHBondContact N-O 3.17Å; V246-L304 PolarHBondContact O-N 2.97Å; V246-V306 HydrophobicContact CG2-CG2 3.72Å; V246-M322 HydrophobicContact CG2-SD 3.86Å; V246-I324 HydrophobicContact CG2-CD1 4.25Å
247S92.3Very high87.9Confident21 Ų2131 Ų3115%0.14722%0.222CC..EExtended strand (participates in β ladder)trans-124.8158.1177.864.70000111.2L235 S236L235-S247 CarbonylContact C-O 3.53Å; L235-S247 WeakPolarHBondContact CA-O 3.47Å; S236-S247 PolarHBondContact N-O 3.1Å; S236-S247 PolarHBondContact O-N 3.32Å
248V93.2Very high87.4Confident9 Ų933 Ų336%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-127.1130.91751760000108.7F233 V234 L235 C263 L265 V284 L326 I328F233-V248 HydrophobicContact CB-CG1 4.21Å; F233-V248 HydrophobicContact CD1-CG1 4.26Å; V234-V248 WeakPolarHBondContact O-CA 3.25Å; L235-V248 HydrophobicContact CB-CG2 4.32Å; L235-V248 HydrophobicContact CD1-CG2 4.5Å; L235-V248 HydrophobicContact CG-CG2 4.43Å; V248-C263 HydrophobicContact CB-CB 4.47Å; V248-L265 HydrophobicContact CG2-CD1 4.08Å; V248-L265 HydrophobicContact CG2-CD2 3.99Å; V248-L265 HydrophobicContact CG2-CG 4.31Å; V248-V284 HydrophobicContact CG1-CG1 4.29Å; V248-L326 HydrophobicContact CG2-CD1 3.99Å; V248-I328 HydrophobicContact CG1-CD1 4.45Å
249A92Very high87.2Confident13 Ų1334.3 Ų34.311%0.10725%0.251CS..EExtended strand (participates in β ladder)trans-128144.2175.100000110.7F233 V234 A285F233-A249 CarbonylContact C-O 3.5Å; F233-A249 WeakPolarHBondContact CA-O 3.3Å; V234-A249 PolarHBondContact N-O 3.35Å; V234-A249 PolarHBondContact O-N 2.84Å; A249-A285 WeakPolarHBondContact CA-O 3.31Å
250C93Very high87.3Confident2 Ų238.6 Ų38.61%0.01425%0.254CS..EExtended strand (participates in β ladder)trans-82.3126.5170.5-177.50000109.3F233 R252 Y261 V284 A285 S287F233-C250 HydrophobicContact CD1-CB 3.86Å; F233-C250 HydrophobicContact CE1-CB 3.71Å; C250-R252 PolarHBondContact O-N 3.14Å; C250-Y261 HydrophobicContact CB-CD2 4.41Å; C250-V284 HydrophobicContact CB-CG1 4.03Å; C250-A285 PolarHBondContact N-O 3Å; C250-S287 PolarHBondContact O-N 2.72Å
251V92.2Very high87.5Confident7 Ų735.9 Ų35.94%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-78.3102.2177-177.50000108.5C170 P183 L186 V232 V234C170-V251 HydrophobicContact CB-CG1 4.47Å; P183-V251 HydrophobicContact CB-CG1 4.3Å; P183-V251 WeakPolarHBondContact CB-O 3.46Å; L186-V251 HydrophobicContact CD2-CG1 3.74Å; V232-V251 HydrophobicContact CB-CB 4.11Å; V232-V251 HydrophobicContact CB-CG2 4.38Å; V232-V251 HydrophobicContact CG1-CB 4.12Å; V232-V251 HydrophobicContact CG1-CG2 3.9Å; V232-V251 PolarHBondContact O-N 3.46Å; V234-V251 HydrophobicContact CG2-CG2 3.47Å; V234-V251 VanDerWaalsContact CG2-CG2 3.47Å
252R90.6Very high87.7Confident19 Ų1936.2 Ų36.27%0.07222%0.218CC..  trans-158.8138.3174.161.3-176.1-176.3179.8-1.3110.4C250 N254 A255 A257 G258 P259 S286 S287 A288C250-R252 PolarHBondContact O-N 3.14Å; R252-N254 VanDerWaalsContact C-N 3.27Å; R252-N254 VanDerWaalsContact CD-O 3.26Å; R252-N254 WeakPolarHBondContact CD-O 3.26Å; R252-N254 WeakPolarHBondContact CG-O 3.33Å; R252-N254 PolarHBondContact O-N 3.21Å; R252-A255 PolarHBondContact NH1-O 2.77Å; R252-A255 PolarHBondContact NH2-O 2.83Å; R252-A257 PolarHBondContact NH1-O 3.25Å; R252-G258 PolarHBondContact NH1-O 3.45Å; R252-P259 PolarHBondContact NH1-O 2.86Å; R252-S286 PolarHBondContact NE-OG 2.66Å; R252-S286 PolarHBondContact NH2-OG 3.24Å; R252-S287 CarbonylContact C-O 3.58Å; R252-S287 PolarHBondContact N-O 3.02Å; R252-S287 CarbonylContact O-C 3.5Å; R252-A288 WeakPolarHBondContact O-CA 3.08Å; R252-A288 PolarHBondContact O-N 2.76Å
253A86.2Confident88.1Confident30 Ų3030.4 Ų30.425%0.24818%0.183CC..SBendtrans-65.4-32.5177.700000112.8A168 P169 C170 A288A168-A253 HydrophobicContact CB-CB 3.68Å; P169-A253 VanDerWaalsContact O-CB 3.3Å; P169-A253 WeakPolarHBondContact O-CB 3.31Å; C170-A253 PolarHBondContact SG-N 3.31Å; A253-A288 HydrophobicContact CB-CB 4.35Å
254N82.2Confident88.4Confident41 Ų4133.9 Ų33.922%0.21920%0.196CC..  trans-120123.5-177.9-58.9-50.4000111.7Q162 R163 A168 R252 A256 A257Q162-N254 PolarHBondContact O-ND2 3.36Å; R163-N254 WeakPolarHBondContact O-CB 3.32Å; R163-N254 PolarHBondContact O-ND2 2.89Å; A168-N254 WeakPolarHBondContact CB-ND2 3.22Å; R252-N254 VanDerWaalsContact C-N 3.27Å; R252-N254 VanDerWaalsContact CD-O 3.26Å; R252-N254 WeakPolarHBondContact CD-O 3.26Å; R252-N254 WeakPolarHBondContact CG-O 3.33Å; R252-N254 PolarHBondContact O-N 3.21Å; N254-A256 PolarHBondContact O-N 3.43Å; N254-A257 HydrophobicContact CB-CB 4.06Å; N254-A257 WeakPolarHBondContact O-CB 3.48Å; N254-A257 PolarHBondContact O-N 2.95Å
255A77.7Confident88.6Confident67 Ų6732.3 Ų32.355%0.55419%0.19SC*.THydrogen-bonded Turntrans-64.1-20.317500000113.7R252 A257R252-A255 PolarHBondContact NH1-O 2.77Å; R252-A255 PolarHBondContact NH2-O 2.83Å; A255-A257 VanDerWaalsContact C-N 3.33Å
256A77.1Confident88.7Confident71 Ų7134.4 Ų34.459%0.58720%0.197SC*.THydrogen-bonded Turntrans-84.7-5.2174.600000113.3N254 G258N254-A256 PolarHBondContact O-N 3.43Å; A256-G258 PolarHBondContact O-N 3.11Å
257A75.3Confident88.8Confident5 Ų534.5 Ų34.54%0.04120%0.198CC..SBendtrans-81.895.5178.100000110.5A164 R252 N254 A255A164-A257 WeakPolarHBondContact O-CA 3.37Å; A164-A257 VanDerWaalsContact O-CB 3.32Å; A164-A257 WeakPolarHBondContact O-CB 3.48Å; R252-A257 PolarHBondContact NH1-O 3.25Å; N254-A257 HydrophobicContact CB-CB 4.06Å; N254-A257 WeakPolarHBondContact O-CB 3.48Å; N254-A257 PolarHBondContact O-N 2.95Å; A255-A257 VanDerWaalsContact C-N 3.33Å
258G79.2Confident88.7Confident41 Ų4134.8 Ų34.842%0.42320%0.197SC..SBendtrans88.1-175.9175.600000114.1R252 A256R252-G258 PolarHBondContact NH1-O 3.45Å; A256-G258 PolarHBondContact O-N 3.11Å
259P84.5Confident88.3Confident30 Ų3035.4 Ų35.420%0.19520%0.203CC..  trans-68.3170.3-170.528.8-35.4000112.1R252 Y261 I330R252-P259 PolarHBondContact NH1-O 2.86Å; P259-Y261 WeakPolarHBondContact CD-OH 3.04Å; P259-Y261 HydrophobicContact CG-CE1 4.03Å; P259-Y261 WeakPolarHBondContact CG-OH 3.48Å; P259-Y261 VanDerWaalsContact O-CE2 3.25Å; P259-Y261 WeakPolarHBondContact O-CE2 3.21Å; P259-I330 HydrophobicContact CB-CG2 3.79Å; P259-I330 HydrophobicContact CG-CG2 4.07Å
260R89.4Confident87.5Confident150 Ų15037.7 Ų37.757%0.56622%0.216SC*.  trans-83147.7166.8-64.8-175.7179.8-176.52.8108.9D331 I334R260-D331 HydrophobicContact CB-CB 4.18Å; R260-D331 WeakPolarHBondContact O-CB 3.31Å; R260-D331 PolarHBondContact O-N 3.17Å; R260-I334 HydrophobicContact CB-CD1 4.44Å
261Y91.8Very high86.5Confident4 Ų442 Ų422%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-118.3152178-52.5-85.9000109.9Y203 R231 F233 C250 P259 A283 V284 I328 S329 I330Y203-Y261 AromaticContact CE1-CD1 3.99Å; Y203-Y261 HydrophobicContact CE1-CD1 3.99Å; Y203-Y261 AromaticContact CE1-CE1 3.84Å; Y203-Y261 HydrophobicContact CE1-CE1 3.84Å; Y203-Y261 AromaticContact CZ-CE1 3.9Å; R231-Y261 WeakPolarHBondContact CG-OH 3.11Å; F233-Y261 HydrophobicContact CE1-CD1 4.34Å; F233-Y261 AromaticContact CE1-CD2 3.86Å; F233-Y261 HydrophobicContact CE1-CD2 3.86Å; F233-Y261 HydrophobicContact CE1-CE2 4.47Å; F233-Y261 AromaticContact CE1-CG 3.82Å; F233-Y261 HydrophobicContact CE1-CG 3.82Å; F233-Y261 AromaticContact CZ-CD1 3.77Å; F233-Y261 HydrophobicContact CZ-CD1 3.77Å; F233-Y261 AromaticContact CZ-CD2 3.89Å; F233-Y261 HydrophobicContact CZ-CD2 3.89Å; F233-Y261 HydrophobicContact CZ-CE1 4.03Å; F233-Y261 HydrophobicContact CZ-CE2 4.17Å; F233-Y261 AromaticContact CZ-CG 3.72Å; F233-Y261 HydrophobicContact CZ-CG 3.72Å; C250-Y261 HydrophobicContact CB-CD2 4.41Å; P259-Y261 WeakPolarHBondContact CD-OH 3.04Å; P259-Y261 HydrophobicContact CG-CE1 4.03Å; P259-Y261 WeakPolarHBondContact CG-OH 3.48Å; P259-Y261 VanDerWaalsContact O-CE2 3.25Å; P259-Y261 WeakPolarHBondContact O-CE2 3.21Å; Y261-A283 WeakPolarHBondContact O-CA 3.41Å; Y261-V284 PolarHBondContact O-N 3.31Å; Y261-I328 HydrophobicContact CD1-CG2 4.37Å; Y261-S329 CarbonylContact C-O 3.59Å; Y261-S329 VanDerWaalsContact CA-O 3.31Å; Y261-S329 WeakPolarHBondContact CA-O 3.41Å; Y261-I330 HydrophobicContact CD1-CG1 4.2Å; Y261-I330 HydrophobicContact CE1-CG1 4.03Å
262R93.6Very high85.1Confident79 Ų7943.1 Ų43.130%0.29828%0.275SS..EExtended strand (participates in β ladder)trans-117135.9169.8-166.3172.7-63.7175.85.5108.4D281 S282 I328 S329 D331R262-D281 WeakPolarHBondContact CD-OD1 3.45Å; R262-D281 WeakPolarHBondContact CG-OD1 3.47Å; R262-S282 WeakPolarHBondContact CA-O 3.4Å; R262-I328 WeakPolarHBondContact O-CA 3.3Å; R262-S329 PolarHBondContact N-O 3.09Å; R262-S329 PolarHBondContact O-N 2.74Å; R262-D331 HydrophobicContact CB-CB 4.48Å; R262-D331 IonicContact CZ-OD1 3.36Å; R262-D331 IonicContact CZ-OD2 3.29Å; R262-D331 IonicContact NE-OD2 3.02Å; R262-D331 PolarHBondContact NE-OD2 3.19Å; R262-D331 VanDerWaalsContact NE-OD2 3.12Å; R262-D331 IonicContact NH2-OD1 2.8Å; R262-D331 PolarHBondContact NH2-OD1 3.45Å; R262-D331 IonicContact NH2-OD2 2.78Å; R262-D331 PolarHBondContact NH2-OD2 2.98Å
263C94.5Very high83.8Confident2 Ų244.5 Ų44.51%0.01430%0.295CS..EExtended strand (participates in β ladder)trans-115141.817472.70000110.3V248 D281 S282 V284 L326 S327 I328V248-C263 HydrophobicContact CB-CB 4.47Å; C263-D281 WeakPolarHBondContact O-CA 3.43Å; C263-S282 PolarHBondContact N-O 3.25Å; C263-S282 PolarHBondContact O-N 3.4Å; C263-V284 HydrophobicContact CB-CG2 3.59Å; C263-L326 HydrophobicContact CB-CD1 4.24Å; C263-S327 CarbonylContact C-O 3.58Å; C263-S327 VanDerWaalsContact CA-O 3.28Å; C263-S327 WeakPolarHBondContact CA-O 3.19Å; C263-I328 HydrophobicContact CB-CG1 4.47Å
264K95.7Very high82.8Confident83 Ų8347.7 Ų47.736%0.36132%0.321SS..EExtended strand (participates in β ladder)trans-115.7123.4166.7-63.8178.4178.8176.40108.3W266 M280 D281 L326 S327K264-W266 HydrophobicContact CB-CE3 4.3Å; K264-W266 HydrophobicContact CB-CH2 3.15Å; K264-W266 HydrophobicContact CB-CZ2 3.66Å; K264-W266 HydrophobicContact CB-CZ3 3.51Å; K264-W266 HydrophobicContact CD-CH2 3.8Å; K264-W266 HydrophobicContact CD-CZ2 3.96Å; K264-W266 HydrophobicContact CG-CH2 4.1Å; K264-W266 HydrophobicContact CG-CZ2 4.39Å; K264-W266 VanDerWaalsContact O-CZ3 3.26Å; K264-W266 WeakPolarHBondContact O-CZ3 3.42Å; K264-M280 CarbonylContact C-O 3.12Å; K264-M280 VanDerWaalsContact CA-O 3.29Å; K264-M280 WeakPolarHBondContact CA-O 3.47Å; K264-D281 WeakPolarHBondContact CE-OD2 3.3Å; K264-D281 HydrophobicContact CG-CB 4.2Å; K264-L326 WeakPolarHBondContact O-CA 3.04Å; K264-S327 PolarHBondContact N-O 3.44Å; K264-S327 PolarHBondContact O-N 3.38Å
265L95.4Very high82.3Confident0 Ų049.6 Ų49.60%034%0.343CS..EExtended strand (participates in β ladder)trans-112.8137.6176.4-73.4172.8000109.1L235 V246 V248 H279 M280 L304 I324 R325 L326L235-L265 HydrophobicContact CD1-CD2 4.19Å; V246-L265 HydrophobicContact CG1-CD1 4.06Å; V246-L265 HydrophobicContact CG1-CD2 4.48Å; V248-L265 HydrophobicContact CG2-CD1 4.08Å; V248-L265 HydrophobicContact CG2-CD2 3.99Å; V248-L265 HydrophobicContact CG2-CG 4.31Å; L265-H279 CarbonylContact O-C 3.53Å; L265-H279 WeakPolarHBondContact O-CA 3.43Å; L265-H279 VanDerWaalsContact O-CB 3.28Å; L265-H279 WeakPolarHBondContact O-CB 3.25Å; L265-M280 HydrophobicContact CD1-CE 3.76Å; L265-M280 PolarHBondContact N-O 3.43Å; L265-M280 PolarHBondContact O-N 3.09Å; L265-L304 HydrophobicContact CB-CB 4.38Å; L265-L304 HydrophobicContact CB-CD2 3.79Å; L265-L304 HydrophobicContact CD1-CB 4.18Å; L265-I324 HydrophobicContact CD2-CG2 3.76Å; L265-R325 CarbonylContact C-O 3.51Å; L265-R325 WeakPolarHBondContact CA-O 3.49Å; L265-L326 HydrophobicContact CD2-CB 4.16Å; L265-L326 HydrophobicContact CD2-CD1 3.62Å; L265-L326 HydrophobicContact CD2-CG 4.41Å; L265-L326 HydrophobicContact CG-CD1 4.31Å
266W95Very high82.7Confident49 Ų4950.6 Ų50.619%0.18634%0.338CS..EExtended strand (participates in β ladder)trans-129.5134.9168.7-55.6-102.6000109.3K264 F277 V278 H279 I324 R325K264-W266 HydrophobicContact CB-CE3 4.3Å; K264-W266 HydrophobicContact CB-CH2 3.15Å; K264-W266 HydrophobicContact CB-CZ2 3.66Å; K264-W266 HydrophobicContact CB-CZ3 3.51Å; K264-W266 HydrophobicContact CD-CH2 3.8Å; K264-W266 HydrophobicContact CD-CZ2 3.96Å; K264-W266 HydrophobicContact CG-CH2 4.1Å; K264-W266 HydrophobicContact CG-CZ2 4.39Å; K264-W266 VanDerWaalsContact O-CZ3 3.26Å; K264-W266 WeakPolarHBondContact O-CZ3 3.42Å; W266-F277 AromaticContact CD1-CD2 3.61Å; W266-F277 AromaticContact CD1-CE2 3.71Å; W266-V278 CarbonylContact C-O 3.58Å; W266-V278 WeakPolarHBondContact CA-O 2.97Å; W266-H279 HydrophobicContact CG-CB 4Å; W266-I324 CarbonylContact O-C 3.58Å; W266-I324 WeakPolarHBondContact O-CA 3.49Å; W266-R325 HydrophobicContact CB-CB 4.23Å; W266-R325 HydrophobicContact CE3-CB 3.95Å; W266-R325 PolarHBondContact N-O 3.36Å; W266-R325 PolarHBondContact O-N 3.36Å
267A93.4Very high83.4Confident1 Ų151 Ų511%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-112126.7165.800000108.7F277 V278 L304 V306 F310 L323 I324A267-F277 WeakPolarHBondContact O-CA 3.31Å; A267-F277 WeakPolarHBondContact O-CB 3.45Å; A267-V278 HydrophobicContact CB-CG2 3.78Å; A267-V278 PolarHBondContact N-O 3.21Å; A267-V278 PolarHBondContact O-N 2.82Å; A267-L304 HydrophobicContact CB-CD2 4.17Å; A267-V306 HydrophobicContact CB-CB 4.44Å; A267-V306 HydrophobicContact CB-CG1 3.93Å; A267-V306 HydrophobicContact CB-CG2 3.71Å; A267-F310 HydrophobicContact CB-CD1 4.3Å; A267-F310 VanDerWaalsContact O-CD1 3.27Å; A267-F310 WeakPolarHBondContact O-CD1 3.38Å; A267-F310 WeakPolarHBondContact O-CE1 3.38Å; A267-L323 WeakPolarHBondContact CA-O 3.41Å; A267-I324 HydrophobicContact CB-CD1 3.71Å
268H89.8Confident84.3Confident28 Ų2852.6 Ų52.613%0.1334%0.336CS..EExtended strand (participates in β ladder)trans-104.6137.2-175.9-75.4-90.1000112.2F277 H312 L323 R325H268-F277 AromaticContact CE1-CD1 4Å; H268-H312 PolarHBondContact O-NE2 3.05Å; H268-L323 HydrophobicContact CB-CD2 4.27Å; H268-L323 PolarHBondContact N-O 3.45Å; H268-R325 VanDerWaalsContact NE2-CD 3.3Å; H268-R325 WeakPolarHBondContact NE2-CD 3.39Å
269A85.1Confident85Confident22 Ų2256 Ų5618%0.18234%0.341CS..  trans-69.5147178.300000111.3G271 G272 D276 F310A269-G271 PolarHBondContact O-N 2.92Å; A269-G272 PolarHBondContact O-N 3.4Å; A269-D276 HydrophobicContact CB-CB 3.98Å; A269-D276 PolarHBondContact N-O 3.26Å; A269-F310 HydrophobicContact CB-CD1 4.03Å; A269-F310 HydrophobicContact CB-CE1 3.79Å; A269-F310 HydrophobicContact CB-CZ 4.22Å; A269-F310 VanDerWaalsContact N-CD1 3.28Å; A269-F310 VanDerWaalsContact N-CE1 3.35Å
270P76.7Confident85.4Confident60 Ų6055.7 Ų55.739%0.3934%0.337SS..THydrogen-bonded Turntrans-62.3126.8175.922.6-28.7000110.6G272 C309 H312P270-G272 PolarHBondContact O-N 3.26Å; P270-G272 VanDerWaalsContact O-N 3.08Å; P270-C309 WeakPolarHBondContact CD-O 3.49Å; P270-H312 WeakPolarHBondContact CA-NE2 3.32Å; P270-H312 HydrophobicContact CB-CB 4.42Å
271G72.1Confident85.6Confident92 Ų9251.9 Ų51.995%0.94833%0.328SS*.THydrogen-bonded Turntrans66.15.7179.500000115.3A269A269-G271 PolarHBondContact O-N 2.92Å
272G61.5Low85.6Confident32 Ų3251.9 Ų51.933%0.3333%0.329SS..  trans-71146177.600000111.7A269 P270 D276A269-G272 PolarHBondContact O-N 3.4Å; P270-G272 PolarHBondContact O-N 3.26Å; P270-G272 VanDerWaalsContact O-N 3.08Å; G272-D276 WeakPolarHBondContact CA-OD2 3.49Å
273G62.8Low85.5Confident48 Ų4850.7 Ų50.750%0.49534%0.336SS..  trans-63.1175.6170.900000111A275 D276G273-A275 PolarHBondContact O-N 3.13Å; G273-D276 PolarHBondContact N-OD2 3.18Å; G273-D276 PolarHBondContact O-N 2.86Å
274A66Low85.3Confident97 Ų9751.3 Ų51.380%0.80234%0.339SS*.THydrogen-bonded Turntrans-54.7-13.1179.300000115F277A274-F277 WeakPolarHBondContact O-CD1 3.34Å; A274-F277 WeakPolarHBondContact O-CE1 3.3Å
275A72.7Confident84.8Confident81 Ų8149.7 Ų49.767%0.66934%0.342SS*.THydrogen-bonded Turntrans-93.6-13.5-178.900000115.3G273 F277G273-A275 PolarHBondContact O-N 3.13Å; A275-F277 PolarHBondContact O-N 3.35Å; A275-F277 VanDerWaalsContact O-N 3.15Å
276D85.8Confident84.2Confident87 Ų8751.7 Ų51.747%0.46536%0.355SS..  trans-92.277.9-174.5-66-38.4000111.4A269 G272 G273A269-D276 HydrophobicContact CB-CB 3.98Å; A269-D276 PolarHBondContact N-O 3.26Å; G272-D276 WeakPolarHBondContact CA-OD2 3.49Å; G273-D276 PolarHBondContact N-OD2 3.18Å; G273-D276 PolarHBondContact O-N 2.86Å
277F91.4Very high83.2Confident81 Ų8151 Ų5136%0.35536%0.358SS..EExtended strand (participates in β ladder)trans-140.4151.7177.365.5-92.9000113.3W266 A267 H268 A274 A275 H279W266-F277 AromaticContact CD1-CD2 3.61Å; W266-F277 AromaticContact CD1-CE2 3.71Å; A267-F277 WeakPolarHBondContact O-CA 3.31Å; A267-F277 WeakPolarHBondContact O-CB 3.45Å; H268-F277 AromaticContact CE1-CD1 4Å; A274-F277 WeakPolarHBondContact O-CD1 3.34Å; A274-F277 WeakPolarHBondContact O-CE1 3.3Å; A275-F277 PolarHBondContact O-N 3.35Å; A275-F277 VanDerWaalsContact O-N 3.15Å; F277-H279 HydrophobicContact CD2-CB 3.95Å; F277-H279 HydrophobicContact CE2-CB 4.01Å; F277-H279 AromaticContact CE2-ND1 3.85Å
278V93.1Very high82.1Confident38 Ų3853.2 Ų53.223%0.2338%0.377CS..EExtended strand (participates in β ladder)trans-102.6141.3159.7-66.80000108.2W266 A267 L304 F310W266-V278 CarbonylContact C-O 3.58Å; W266-V278 WeakPolarHBondContact CA-O 2.97Å; A267-V278 HydrophobicContact CB-CG2 3.78Å; A267-V278 PolarHBondContact N-O 3.21Å; A267-V278 PolarHBondContact O-N 2.82Å; V278-L304 HydrophobicContact CB-CD1 4.08Å; V278-L304 HydrophobicContact CG2-CD1 3.96Å; V278-L304 HydrophobicContact CG2-CD2 4.38Å; V278-L304 HydrophobicContact CG2-CG 4.33Å; V278-F310 HydrophobicContact CG1-CE2 4.19Å; V278-F310 HydrophobicContact CG1-CZ 4Å; V278-F310 HydrophobicContact CG2-CE1 4.43Å
279H94.3Very high80.6Confident112 Ų11253.1 Ų53.152%0.51938%0.381SS..EExtended strand (participates in β ladder)trans-137.1158.1179.686-78.4000112.8L265 W266 F277L265-H279 CarbonylContact O-C 3.53Å; L265-H279 WeakPolarHBondContact O-CA 3.43Å; L265-H279 VanDerWaalsContact O-CB 3.28Å; L265-H279 WeakPolarHBondContact O-CB 3.25Å; W266-H279 HydrophobicContact CG-CB 4Å; F277-H279 HydrophobicContact CD2-CB 3.95Å; F277-H279 HydrophobicContact CE2-CB 4.01Å; F277-H279 AromaticContact CE2-ND1 3.85Å
280M93.9Very high79.1Confident23 Ų2352.1 Ų52.111%0.11337%0.372CS..EExtended strand (participates in β ladder)trans-135.8136.6172.3179.8-179.478.500108.7K264 L265 R302 L304K264-M280 CarbonylContact C-O 3.12Å; K264-M280 VanDerWaalsContact CA-O 3.29Å; K264-M280 WeakPolarHBondContact CA-O 3.47Å; L265-M280 HydrophobicContact CD1-CE 3.76Å; L265-M280 PolarHBondContact N-O 3.43Å; L265-M280 PolarHBondContact O-N 3.09Å; M280-R302 HydrophobicContact SD-CB 4.08Å; M280-L304 HydrophobicContact CB-CB 4.01Å; M280-L304 HydrophobicContact CB-CD1 4.07Å
281D93.5Very high78Confident70 Ų7051.2 Ų51.237%0.37437%0.366SS..EExtended strand (participates in β ladder)trans-117.9119.1166.7-171.2-11.4000107.9R262 C263 K264R262-D281 WeakPolarHBondContact CD-OD1 3.45Å; R262-D281 WeakPolarHBondContact CG-OD1 3.47Å; C263-D281 WeakPolarHBondContact O-CA 3.43Å; K264-D281 WeakPolarHBondContact CE-OD2 3.3Å; K264-D281 HydrophobicContact CG-CB 4.2Å
282S91.4Very high76.4Confident5 Ų548.3 Ų48.34%0.03534%0.337CS..EExtended strand (participates in β ladder)trans-149.7148.4-174.3-178.50000112.6R262 C263 R302R262-S282 WeakPolarHBondContact CA-O 3.4Å; C263-S282 PolarHBondContact N-O 3.25Å; C263-S282 PolarHBondContact O-N 3.4Å; S282-R302 WeakPolarHBondContact OG-CB 3.44Å; S282-R302 VanDerWaalsContact OG-CD 3.28Å; S282-R302 WeakPolarHBondContact OG-CD 3.37Å
283A91.1Very high75.6Confident54 Ų5448.1 Ų48.145%0.44634%0.335SS..EExtended strand (participates in β ladder)trans-56.6142.3159.300000110.2Y261Y261-A283 WeakPolarHBondContact O-CA 3.41Å
284V90Very high74.5Confident14 Ų1454.9 Ų54.99%0.08535%0.353CS..PPolyproline II helixtrans-89.5124.2-178.3-1790000109.7F233 V248 C250 Y261 C263F233-V284 HydrophobicContact CD1-CG1 3.98Å; F233-V284 HydrophobicContact CE1-CG1 4.04Å; V248-V284 HydrophobicContact CG1-CG1 4.29Å; C250-V284 HydrophobicContact CB-CG1 4.03Å; Y261-V284 PolarHBondContact O-N 3.31Å; C263-V284 HydrophobicContact CB-CG2 3.59Å
285A85.9Confident73.7Confident50 Ų5051.5 Ų51.541%0.41332%0.323SS..EExtended strand (participates in β ladder)trans-67.5156174.200000111.2A249 C250A249-A285 WeakPolarHBondContact CA-O 3.31Å; C250-A285 PolarHBondContact N-O 3Å
286S82Confident72.4Confident41 Ų4151.4 Ų51.429%0.28732%0.322SS..EExtended strand (participates in β ladder)trans-104.3137.5175.3-52.60000109.5R252R252-S286 PolarHBondContact NE-OG 2.66Å; R252-S286 PolarHBondContact NH2-OG 3.24Å
287S74.9Confident70.7Confident36 Ų3649.1 Ų49.125%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-135.4129.8176.8-170.20000111.8C250 R252 A289C250-S287 PolarHBondContact O-N 2.72Å; R252-S287 CarbonylContact C-O 3.58Å; R252-S287 PolarHBondContact N-O 3.02Å; R252-S287 CarbonylContact O-C 3.5Å; S287-A289 VanDerWaalsContact C-N 3.26Å; S287-A289 WeakPolarHBondContact CB-O 3.2Å; S287-A289 PolarHBondContact OG-O 3.45Å
288A69.3Low68.8Low47 Ų4749.8 Ų49.839%0.38832%0.318SS..SBendtrans-75.4-17.5177.100000113.1C170 S171 R252 A253C170-A288 WeakPolarHBondContact CA-O 3.4Å; C170-A288 WeakPolarHBondContact CB-O 3.43Å; C170-A288 PolarHBondContact SG-O 3.05Å; S171-A288 PolarHBondContact N-O 2.78Å; R252-A288 WeakPolarHBondContact O-CA 3.08Å; R252-A288 PolarHBondContact O-N 2.76Å; A253-A288 HydrophobicContact CB-CB 4.35Å
289A59.4Low66.5Low26 Ų2657.3 Ų57.322%0.21535%0.351CS..BIsolated β-bridgetrans-115139.6166.900000107.8S287S287-A289 VanDerWaalsContact C-N 3.26Å; S287-A289 WeakPolarHBondContact CB-O 3.2Å; S287-A289 PolarHBondContact OG-O 3.45Å
290A54.3Low64.5Low0 Ų060.6 Ų60.60%037%0.366CS..  trans-56.7135.7154.500000106S173 L186 L190 W196 V234 G292S173-A290 WeakPolarHBondContact CB-O 3.24Å; S173-A290 PolarHBondContact OG-O 2.84Å; L186-A290 HydrophobicContact CD2-CB 4.45Å; L190-A290 HydrophobicContact CD1-CB 3.89Å; W196-A290 HydrophobicContact CH2-CB 3.71Å; W196-A290 HydrophobicContact CZ3-CB 3.87Å; V234-A290 HydrophobicContact CG2-CB 3.94Å; A290-G292 PolarHBondContact O-N 3.38Å
291P52.4Low63.1Low41 Ų4160.4 Ų60.427%0.26637%0.369SS..  trans-59.9135.7179.1-21.531000110.2S173 R217S173-P291 PolarHBondContact OG-O 2.86Å; R217-P291 WeakPolarHBondContact CD-O 3.46Å; R217-P291 VanDerWaalsContact CZ-O 3.25Å; R217-P291 PolarHBondContact NE-O 3.27Å; R217-P291 VanDerWaalsContact NE-O 3.11Å; R217-P291 PolarHBondContact NH1-O 3.34Å; R217-P291 VanDerWaalsContact NH1-O 3.17Å
292G39.2Very low62.7Low32 Ų3265.3 Ų65.333%0.3338%0.382SS..  trans-147.7137.9-17700000111.5S173 A290S173-G292 CarbonylContact O-C 3.55Å; S173-G292 WeakPolarHBondContact O-CA 3.47Å; S173-G292 WeakPolarHBondContact OG-CA 2.9Å; S173-G292 PolarHBondContact OG-N 2.81Å; A290-G292 PolarHBondContact O-N 3.38Å
293G43.9Very low62.6Low28 Ų2868.2 Ų68.229%0.28939%0.394SS..SBendtrans99.6-175.5-154.500000112.5R217 V295R217-G293 PolarHBondContact NH1-O 3.5Å; G293-V295 PolarHBondContact O-N 2.81Å
294E39.2Very low62.8Low189 Ų18966 Ų6688%0.88338%0.375SS*.SBendtrans-56.6126.5169.9-80.2-169.3143.400108.4A296E294-A296 PolarHBondContact O-N 3.34Å
295V51Low62.9Low26 Ų2668.2 Ų68.216%0.15839%0.389CS..  trans-7182.4171.2-1750000105.7G293 V297G293-V295 PolarHBondContact O-N 2.81Å; V295-V297 PolarHBondContact O-N 3.42Å
296A45.5Very low63.3Low80 Ų8065.9 Ų65.966%0.66137%0.369SS*.  trans-53.5130156.100000105.2E294 D298E294-A296 PolarHBondContact O-N 3.34Å; A296-D298 VanDerWaalsContact C-N 3.27Å; A296-D298 PolarHBondContact O-N 2.79Å
297V49.2Very low63.7Low39 Ų3965.8 Ų65.824%0.23637%0.368CS..  trans-57.4103.6171178.20000105.3L240 A245 V295 E299 F303L240-V297 HydrophobicContact CD1-CG2 4.29Å; A245-V297 HydrophobicContact CB-CG2 3.91Å; V295-V297 PolarHBondContact O-N 3.42Å; V297-E299 PolarHBondContact O-N 2.96Å; V297-E299 VanDerWaalsContact O-N 3.11Å; V297-F303 HydrophobicContact CG1-CD1 3.4Å; V297-F303 HydrophobicContact CG1-CE1 3.09Å; V297-F303 HydrophobicContact CG1-CG 4.28Å; V297-F303 HydrophobicContact CG1-CZ 3.76Å
298D51.5Low64.3Low94 Ų9466.9 Ų66.950%0.50337%0.374SS..  trans-59.9116.5173.7176.64.2000105.6A296 E300 A301A296-D298 VanDerWaalsContact C-N 3.27Å; A296-D298 PolarHBondContact O-N 2.79Å; D298-E300 PolarHBondContact O-N 2.88Å; D298-E300 VanDerWaalsContact O-N 3.07Å; D298-E300 PolarHBondContact OD1-N 3.32Å; D298-A301 HydrophobicContact CB-CB 3.73Å; D298-A301 WeakPolarHBondContact O-CB 3.27Å; D298-A301 PolarHBondContact O-N 3.38Å
299E45.8Very low65.2Low196 Ų19668.9 Ų68.992%0.91638%0.384SS*.THydrogen-bonded Turntrans-61.4-19.7-173.7-65.5-154.3124.700111.7V297V297-E299 PolarHBondContact O-N 2.96Å; V297-E299 VanDerWaalsContact O-N 3.11Å
300E52.3Low66.7Low181 Ų18168.8 Ų68.885%0.84638%0.379SS*.THydrogen-bonded Turntrans-89.5-16175.2-60.1-174.1169.200113D298D298-E300 PolarHBondContact O-N 2.88Å; D298-E300 VanDerWaalsContact O-N 3.07Å; D298-E300 PolarHBondContact OD1-N 3.32Å
301A64.3Low68.2Low20 Ų2069.5 Ų69.517%0.16538%0.383CS..SBendtrans-83.7130.6-179.600000111.5D298 F303D298-A301 HydrophobicContact CB-CB 3.73Å; D298-A301 WeakPolarHBondContact O-CB 3.27Å; D298-A301 PolarHBondContact O-N 3.38Å; A301-F303 VanDerWaalsContact O-CD1 3.3Å; A301-F303 WeakPolarHBondContact O-CD1 3.19Å
302R84.2Confident69.6Low172 Ų17269.2 Ų69.265%0.64938%0.377SS*.  trans-76.9128.4169.2-53.6-157.6-165.6166.1-6.8109.5M280 S282M280-R302 HydrophobicContact SD-CB 4.08Å; S282-R302 WeakPolarHBondContact OG-CB 3.44Å; S282-R302 VanDerWaalsContact OG-CD 3.28Å; S282-R302 WeakPolarHBondContact OG-CD 3.37Å
303F90.5Very high71.3Confident66 Ų6673.4 Ų73.429%0.28939%0.392SS..  trans-130.2149.3-179.756.6-92.6000111.3L240 A245 V246 V297 A301L240-F303 HydrophobicContact CD2-CD2 4.21Å; L240-F303 HydrophobicContact CD2-CE2 3.43Å; L240-F303 VanDerWaalsContact CD2-CE2 3.43Å; L240-F303 HydrophobicContact CD2-CZ 4.06Å; A245-F303 HydrophobicContact CB-CB 4.11Å; A245-F303 HydrophobicContact CB-CD2 3.69Å; A245-F303 HydrophobicContact CB-CE2 4.37Å; A245-F303 HydrophobicContact CB-CG 3.93Å; V246-F303 CarbonylContact O-C 3.57Å; V246-F303 VanDerWaalsContact O-CA 3.31Å; V246-F303 WeakPolarHBondContact O-CA 3.42Å; V297-F303 HydrophobicContact CG1-CD1 3.4Å; V297-F303 HydrophobicContact CG1-CE1 3.09Å; V297-F303 HydrophobicContact CG1-CG 4.28Å; V297-F303 HydrophobicContact CG1-CZ 3.76Å; A301-F303 VanDerWaalsContact O-CD1 3.3Å; A301-F303 WeakPolarHBondContact O-CD1 3.19Å
304L93.7Very high72.5Confident8 Ų874.8 Ų74.84%0.04239%0.392CS..EExtended strand (participates in β ladder)trans-83119.8168176.362.2000108.8V246 L265 A267 V278 M280 V306V246-L304 HydrophobicContact CB-CB 4.45Å; V246-L304 PolarHBondContact N-O 3.17Å; V246-L304 PolarHBondContact O-N 2.97Å; L265-L304 HydrophobicContact CB-CB 4.38Å; L265-L304 HydrophobicContact CB-CD2 3.79Å; L265-L304 HydrophobicContact CD1-CB 4.18Å; A267-L304 HydrophobicContact CB-CD2 4.17Å; V278-L304 HydrophobicContact CB-CD1 4.08Å; V278-L304 HydrophobicContact CG2-CD1 3.96Å; V278-L304 HydrophobicContact CG2-CD2 4.38Å; V278-L304 HydrophobicContact CG2-CG 4.33Å; M280-L304 HydrophobicContact CB-CB 4.01Å; M280-L304 HydrophobicContact CB-CD1 4.07Å; L304-V306 HydrophobicContact CD2-CG2 4.26Å; L304-V306 HydrophobicContact CG-CG2 4.13Å; L304-V306 PolarHBondContact O-N 2.95Å
305T93.5Very high73.4Confident61 Ų6173.5 Ų73.537%0.37439%0.392SS..EExtended strand (participates in β ladder)trans-77.3120169.7-57.90000109.5L240 A243 R244 P307L240-T305 HydrophobicContact CD2-CG2 4.19Å; A243-T305 HydrophobicContact CB-CG2 3.73Å; R244-T305 CarbonylContact O-C 3.58Å; R244-T305 WeakPolarHBondContact O-CA 3.25Å; T305-P307 WeakPolarHBondContact O-CD 3.26Å
306V92.5Very high73.9Confident0 Ų077 Ų770%042%0.423CS..EExtended strand (participates in β ladder)trans-106.5107.1177.1-177.60000108.6A243 R244 V246 A267 L304 F310 I324A243-V306 WeakPolarHBondContact CB-O 3.4Å; R244-V306 HydrophobicContact CB-CB 4.32Å; R244-V306 PolarHBondContact N-O 3.33Å; R244-V306 PolarHBondContact O-N 3.1Å; V246-V306 HydrophobicContact CG2-CG2 3.72Å; A267-V306 HydrophobicContact CB-CB 4.44Å; A267-V306 HydrophobicContact CB-CG1 3.93Å; A267-V306 HydrophobicContact CB-CG2 3.71Å; L304-V306 HydrophobicContact CD2-CG2 4.26Å; L304-V306 HydrophobicContact CG-CG2 4.13Å; L304-V306 PolarHBondContact O-N 2.95Å; V306-F310 HydrophobicContact CG1-CB 3.59Å; V306-F310 HydrophobicContact CG1-CG 4.4Å; V306-I324 HydrophobicContact CG2-CD1 4.37Å
307P90.8Very high74.7Confident40 Ų4075.5 Ų75.526%0.2642%0.416SS..  trans-65.2156.6178.6-20.732.2000112.5T305 C309 F310T305-P307 WeakPolarHBondContact O-CD 3.26Å; P307-C309 PolarHBondContact O-N 2.9Å; P307-F310 HydrophobicContact CB-CD2 4.09Å; P307-F310 HydrophobicContact CG-CD2 4.02Å; P307-F310 HydrophobicContact CG-CE2 4.18Å; P307-F310 WeakPolarHBondContact O-CB 3.38Å; P307-F310 PolarHBondContact O-N 3.43Å
308P88.6Confident75.7Confident59 Ų5979.9 Ų79.938%0.38344%0.443SS..G310 helixtrans-54.4-29.4178.8-27.934.4000115.5V242 F310 L311V242-P308 HydrophobicContact CB-CG 4.18Å; V242-P308 HydrophobicContact CG2-CG 4.19Å; V242-P308 WeakPolarHBondContact O-CG 3.44Å; P308-F310 PolarHBondContact O-N 3.47Å; P308-L311 WeakPolarHBondContact O-CB 3.46Å; P308-L311 PolarHBondContact O-N 3.29Å; P308-L311 VanDerWaalsContact O-N 3.14Å
309C88.5Confident76.7Confident89 Ų8977.4 Ų77.460%0.60143%0.433SS*.G310 helixtrans-68.8-11.8178.755.80000113.8P270 P307P270-C309 WeakPolarHBondContact CD-O 3.49Å; P307-C309 PolarHBondContact O-N 2.9Å
310F89.7Confident78.6Confident23 Ų2371.9 Ų71.910%0.10141%0.406CS..G310 helixtrans-90.6-1.2174.3-74-99.8000113A267 A269 V278 V306 P307 P308 H312A267-F310 HydrophobicContact CB-CD1 4.3Å; A267-F310 VanDerWaalsContact O-CD1 3.27Å; A267-F310 WeakPolarHBondContact O-CD1 3.38Å; A267-F310 WeakPolarHBondContact O-CE1 3.38Å; A269-F310 HydrophobicContact CB-CD1 4.03Å; A269-F310 HydrophobicContact CB-CE1 3.79Å; A269-F310 HydrophobicContact CB-CZ 4.22Å; A269-F310 VanDerWaalsContact N-CD1 3.28Å; A269-F310 VanDerWaalsContact N-CE1 3.35Å; V278-F310 HydrophobicContact CG1-CE2 4.19Å; V278-F310 HydrophobicContact CG1-CZ 4Å; V278-F310 HydrophobicContact CG2-CE1 4.43Å; V306-F310 HydrophobicContact CG1-CB 3.59Å; V306-F310 HydrophobicContact CG1-CG 4.4Å; P307-F310 HydrophobicContact CB-CD2 4.09Å; P307-F310 HydrophobicContact CG-CD2 4.02Å; P307-F310 HydrophobicContact CG-CE2 4.18Å; P307-F310 WeakPolarHBondContact O-CB 3.38Å; P307-F310 PolarHBondContact O-N 3.43Å; P308-F310 PolarHBondContact O-N 3.47Å; F310-H312 PolarHBondContact O-CD2 2.87Å
311L85.5Confident80.3Confident16 Ų1664.6 Ų64.68%0.08437%0.372CS..EExtended strand (participates in β ladder)trans-88.3115.1177.4-56-178.5000109.7R244 P308 K320 E321 M322R244-L311 HydrophobicContact CG-CD2 4.44Å; P308-L311 WeakPolarHBondContact O-CB 3.46Å; P308-L311 PolarHBondContact O-N 3.29Å; P308-L311 VanDerWaalsContact O-N 3.14Å; L311-K320 HydrophobicContact CB-CB 4.11Å; L311-K320 HydrophobicContact CB-CD 3.97Å; L311-K320 HydrophobicContact CB-CG 4.48Å; L311-K320 HydrophobicContact CD1-CD 4.1Å; L311-E321 CarbonylContact C-O 3.57Å; L311-E321 WeakPolarHBondContact CA-O 3.29Å; L311-M322 HydrophobicContact CD2-CB 3.99Å; L311-M322 HydrophobicContact CD2-CE 3.86Å
312H82Confident81.5Confident34 Ų3463.7 Ų63.716%0.15736%0.364CS..EExtended strand (participates in β ladder)trans-78.3133.2179-61.3-160.3000108.4H268 P270 F310 L314 K320 E321H268-H312 PolarHBondContact O-NE2 3.05Å; P270-H312 WeakPolarHBondContact CA-NE2 3.32Å; P270-H312 HydrophobicContact CB-CB 4.42Å; F310-H312 PolarHBondContact O-CD2 2.87Å; H312-L314 PolarHBondContact O-N 3.42Å; H312-K320 CarbonylContact O-C 3.49Å; H312-K320 WeakPolarHBondContact O-CA 3.26Å; H312-E321 HydrophobicContact CB-CG 3.96Å; H312-E321 PolarHBondContact N-O 2.99Å; H312-E321 PolarHBondContact O-N 3.42Å
313L76.3Confident81.9Confident120 Ų12057.1 Ų57.163%0.62834%0.341SS*.EExtended strand (participates in β ladder)trans-78.3121.8172.6-75.1162.6000109K320L313-K320 HydrophobicContact CD2-CG 3.85Å
314L69Low82Confident58 Ų5854 Ų5430%0.30433%0.328SS..PPolyproline II helixtrans-78.8157.3170-73.8170.4000110.5H312 A316 G317 S319 E321H312-L314 PolarHBondContact O-N 3.42Å; L314-A316 PolarHBondContact O-N 2.88Å; L314-G317 PolarHBondContact O-N 3.25Å; L314-S319 PolarHBondContact N-O 2.99Å; L314-E321 HydrophobicContact CD1-CB 3.98Å; L314-E321 HydrophobicContact CD1-CG 4.12Å; L314-E321 VanDerWaalsContact CD2-CD 3.46Å; L314-E321 HydrophobicContact CD2-CG 4Å; L314-E321 WeakPolarHBondContact CD2-OE2 3.47Å; L314-E321 HydrophobicContact CG-CB 4.26Å; L314-E321 HydrophobicContact CG-CG 3.88Å
315D56.5Low82Confident162 Ų16258.2 Ų58.287%0.86634%0.343SS*.THydrogen-bonded Turntrans-46.5136.1-174.7-68.3-38.8000112.7
316A62.2Low82.1Confident98 Ų9855.3 Ų55.381%0.8133%0.325SS*.THydrogen-bonded Turntrans75.82.7-171.500000117.3L314 T318L314-A316 PolarHBondContact O-N 2.88Å; A316-T318 PolarHBondContact O-N 3.44Å
317G62.9Low82.3Confident50 Ų5055.9 Ų55.952%0.51533%0.329SS..SBendtrans73.48.8167.800000115.2L314L314-G317 PolarHBondContact O-N 3.25Å
318T69Low82.5Confident131 Ų13154 Ų5480%0.80432%0.317SS*.SBendtrans-97.8-21.9-177.752.80000113.6A316A316-T318 PolarHBondContact O-N 3.44Å
319S74Confident82.7Confident42 Ų4253 Ų5329%0.29431%0.312SS..  trans-121.6146.8179.7-172.40000110.4L314L314-S319 PolarHBondContact N-O 2.99Å
320K84.4Confident82.8Confident79 Ų7952 Ų5234%0.34330%0.3SS..EExtended strand (participates in β ladder)trans-118.4149.9172.4-64.7177.4-173.4172.70109.5E213 L311 H312 L313E213-K320 HydrophobicContact CB-CB 4.23Å; E213-K320 WeakPolarHBondContact CB-O 3.34Å; E213-K320 PolarHBondContact N-O 3.03Å; L311-K320 HydrophobicContact CB-CB 4.11Å; L311-K320 HydrophobicContact CB-CD 3.97Å; L311-K320 HydrophobicContact CB-CG 4.48Å; L311-K320 HydrophobicContact CD1-CD 4.1Å; H312-K320 CarbonylContact O-C 3.49Å; H312-K320 WeakPolarHBondContact O-CA 3.26Å; L313-K320 HydrophobicContact CD2-CG 3.85Å
321E88.7Confident82.6Confident28 Ų2851.4 Ų51.413%0.13130%0.297CS..EExtended strand (participates in β ladder)trans-132.2162.2170.967.1176.2-160.600110.9H210 V211 L311 H312 L314H210-E321 IonicContact CE1-OE1 3.5Å; H210-E321 IonicContact CG-OE1 3.68Å; H210-E321 IonicContact ND1-OE1 2.74Å; H210-E321 PolarHBondContact ND1-OE1 3.44Å; H210-E321 IonicContact ND1-OE2 2.82Å; V211-E321 CarbonylContact O-C 3.46Å; V211-E321 WeakPolarHBondContact O-CA 3.42Å; L311-E321 CarbonylContact C-O 3.57Å; L311-E321 WeakPolarHBondContact CA-O 3.29Å; H312-E321 HydrophobicContact CB-CG 3.96Å; H312-E321 PolarHBondContact N-O 2.99Å; H312-E321 PolarHBondContact O-N 3.42Å; L314-E321 HydrophobicContact CD1-CB 3.98Å; L314-E321 HydrophobicContact CD1-CG 4.12Å; L314-E321 VanDerWaalsContact CD2-CD 3.46Å; L314-E321 HydrophobicContact CD2-CG 4Å; L314-E321 WeakPolarHBondContact CD2-OE2 3.47Å; L314-E321 HydrophobicContact CG-CB 4.26Å; L314-E321 HydrophobicContact CG-CG 3.88Å
322M89.8Confident81.9Confident1 Ų156.7 Ų56.71%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-118.7136.317158.3-171.285.300109.3V211 V237 R244 V246 L311 I324V211-M322 HydrophobicContact CB-CG 3.82Å; V211-M322 PolarHBondContact N-O 2.84Å; V211-M322 WeakPolarHBondContact O-CG 3.34Å; V211-M322 PolarHBondContact O-N 3.1Å; V237-M322 HydrophobicContact CG1-CE 3.72Å; V237-M322 HydrophobicContact CG1-SD 4.25Å; V237-M322 HydrophobicContact CG2-SD 4.42Å; R244-M322 HydrophobicContact CB-CE 4.11Å; R244-M322 HydrophobicContact CG-CE 3.84Å; V246-M322 HydrophobicContact CG2-SD 3.86Å; L311-M322 HydrophobicContact CD2-CB 3.99Å; L311-M322 HydrophobicContact CD2-CE 3.86Å; M322-I324 HydrophobicContact CB-CD1 4.33Å; M322-I324 HydrophobicContact CG-CD1 3.99Å; M322-I324 HydrophobicContact CG-CG1 3.85Å; M322-I324 PolarHBondContact O-N 3.46Å; M322-I324 HydrophobicContact SD-CD1 4Å; M322-I324 HydrophobicContact SD-CG1 4.17Å
323L91.3Very high80.7Confident34 Ų3461.4 Ų61.418%0.17835%0.351CS..EExtended strand (participates in β ladder)trans-86.8102.5173.6-173.865.4000109.2T208 H210 A267 H268T208-L323 HydrophobicContact CG2-CD1 3.36Å; T208-L323 HydrophobicContact CG2-CG 4.15Å; H210-L323 WeakPolarHBondContact NE2-CD1 2.96Å; A267-L323 WeakPolarHBondContact CA-O 3.41Å; H268-L323 HydrophobicContact CB-CD2 4.27Å; H268-L323 PolarHBondContact N-O 3.45Å
324I93Very high79.7Confident0 Ų058.3 Ų58.30%033%0.334CS..EExtended strand (participates in β ladder)trans-101.9122.9178.2-55.9-60000109.8I209 V211 L235 V246 L265 W266 A267 V306 M322I209-I324 PolarHBondContact N-O 3.24Å; I209-I324 PolarHBondContact O-N 3.41Å; V211-I324 HydrophobicContact CG2-CB 4.43Å; V211-I324 HydrophobicContact CG2-CG1 4.09Å; L235-I324 HydrophobicContact CD1-CG2 3.96Å; V246-I324 HydrophobicContact CG2-CD1 4.25Å; L265-I324 HydrophobicContact CD2-CG2 3.76Å; W266-I324 CarbonylContact O-C 3.58Å; W266-I324 WeakPolarHBondContact O-CA 3.49Å; A267-I324 HydrophobicContact CB-CD1 3.71Å; V306-I324 HydrophobicContact CG2-CD1 4.37Å; M322-I324 HydrophobicContact CB-CD1 4.33Å; M322-I324 HydrophobicContact CG-CD1 3.99Å; M322-I324 HydrophobicContact CG-CG1 3.85Å; M322-I324 PolarHBondContact O-N 3.46Å; M322-I324 HydrophobicContact SD-CD1 4Å; M322-I324 HydrophobicContact SD-CG1 4.17Å
325R94.6Very high78.7Confident98 Ų9861.9 Ų61.937%0.3735%0.354SS..EExtended strand (participates in β ladder)trans-96.1134.9164.1-59.3175.272.2-166.80.1108.3V206 L207 T208 L265 W266 H268V206-R325 HydrophobicContact CG1-CB 3.86Å; V206-R325 HydrophobicContact CG1-CG 4.46Å; L207-R325 CarbonylContact O-C 3.44Å; L207-R325 VanDerWaalsContact O-CA 3.28Å; L207-R325 WeakPolarHBondContact O-CA 2.78Å; T208-R325 HydrophobicContact CG2-CG 4.27Å; L265-R325 CarbonylContact C-O 3.51Å; L265-R325 WeakPolarHBondContact CA-O 3.49Å; W266-R325 HydrophobicContact CB-CB 4.23Å; W266-R325 HydrophobicContact CE3-CB 3.95Å; W266-R325 PolarHBondContact N-O 3.36Å; W266-R325 PolarHBondContact O-N 3.36Å; H268-R325 VanDerWaalsContact NE2-CD 3.3Å; H268-R325 WeakPolarHBondContact NE2-CD 3.39Å
326L95.9Very high77.9Confident0 Ų062.9 Ų62.90%036%0.356CS..EExtended strand (participates in β ladder)trans-131.3131.2-176.9169.963.4000109.1L207 I209 V220 L235 V248 C263 K264 L265 I328L207-L326 PolarHBondContact N-O 3.02Å; L207-L326 PolarHBondContact O-N 3.32Å; I209-L326 HydrophobicContact CD1-CD2 4.31Å; V220-L326 HydrophobicContact CB-CD2 4.29Å; V220-L326 HydrophobicContact CG1-CD2 4.04Å; V220-L326 HydrophobicContact CG2-CD2 3.75Å; L235-L326 HydrophobicContact CD1-CD2 4.41Å; V248-L326 HydrophobicContact CG2-CD1 3.99Å; C263-L326 HydrophobicContact CB-CD1 4.24Å; K264-L326 WeakPolarHBondContact O-CA 3.04Å; L265-L326 HydrophobicContact CD2-CB 4.16Å; L265-L326 HydrophobicContact CD2-CD1 3.62Å; L265-L326 HydrophobicContact CD2-CG 4.41Å; L265-L326 HydrophobicContact CG-CD1 4.31Å; L326-I328 HydrophobicContact CD1-CD1 4.39Å; L326-I328 HydrophobicContact CD1-CG1 3.87Å; L326-I328 HydrophobicContact CD2-CD1 4.14Å; L326-I328 HydrophobicContact CD2-CG1 4.4Å; L326-I328 HydrophobicContact CG-CD1 4.4Å; L326-I328 HydrophobicContact CG-CG1 4.12Å
327S96.2Very high76.6Confident11 Ų1166 Ų668%0.07737%0.371CS..EExtended strand (participates in β ladder)trans-126.1135.4165.7-173.70000109.4G204 E205 C263 K264G204-S327 PolarHBondContact O-OG 3.34Å; E205-S327 WeakPolarHBondContact O-CA 3.01Å; E205-S327 VanDerWaalsContact O-CB 3.3Å; E205-S327 WeakPolarHBondContact O-CB 3.17Å; E205-S327 PolarHBondContact O-OG 2.9Å; C263-S327 CarbonylContact C-O 3.58Å; C263-S327 VanDerWaalsContact CA-O 3.28Å; C263-S327 WeakPolarHBondContact CA-O 3.19Å; K264-S327 PolarHBondContact N-O 3.44Å; K264-S327 PolarHBondContact O-N 3.38Å
328I95Very high77.3Confident0 Ų066.8 Ų66.80%036%0.364CS..EExtended strand (participates in β ladder)trans-121.3127.1177.2-60.2174.2000107.4Y203 G204 V220 A222 F233 V248 Y261 R262 C263 L326Y203-I328 CarbonylContact C-O 3.56Å; Y203-I328 VanDerWaalsContact CA-O 3.3Å; Y203-I328 WeakPolarHBondContact CA-O 3.38Å; Y203-I328 HydrophobicContact CD1-CG2 4.16Å; Y203-I328 HydrophobicContact CE1-CG2 4.17Å; G204-I328 PolarHBondContact N-O 2.78Å; V220-I328 HydrophobicContact CG1-CD1 4.05Å; A222-I328 HydrophobicContact CB-CB 4.29Å; A222-I328 HydrophobicContact CB-CD1 4.24Å; A222-I328 HydrophobicContact CB-CG2 4.33Å; F233-I328 HydrophobicContact CB-CD1 4Å; F233-I328 HydrophobicContact CD1-CD1 3.93Å; F233-I328 HydrophobicContact CD2-CD1 3.75Å; F233-I328 HydrophobicContact CE1-CD1 4.35Å; F233-I328 HydrophobicContact CE1-CG2 3.92Å; F233-I328 HydrophobicContact CE2-CD1 4.22Å; F233-I328 HydrophobicContact CE2-CG2 4.12Å; F233-I328 HydrophobicContact CG-CD1 3.61Å; F233-I328 HydrophobicContact CZ-CD1 4.5Å; F233-I328 HydrophobicContact CZ-CG2 3.71Å; V248-I328 HydrophobicContact CG1-CD1 4.45Å; Y261-I328 HydrophobicContact CD1-CG2 4.37Å; R262-I328 WeakPolarHBondContact O-CA 3.3Å; C263-I328 HydrophobicContact CB-CG1 4.47Å; L326-I328 HydrophobicContact CD1-CD1 4.39Å; L326-I328 HydrophobicContact CD1-CG1 3.87Å; L326-I328 HydrophobicContact CD2-CD1 4.14Å; L326-I328 HydrophobicContact CD2-CG1 4.4Å; L326-I328 HydrophobicContact CG-CD1 4.4Å; L326-I328 HydrophobicContact CG-CG1 4.12Å
329S93.5Very high77.7Confident40 Ų4063.4 Ų63.428%0.2834%0.341SS..EExtended strand (participates in β ladder)trans-127.7153.517759.70000110.9Y261 R262Y261-S329 CarbonylContact C-O 3.59Å; Y261-S329 VanDerWaalsContact CA-O 3.31Å; Y261-S329 WeakPolarHBondContact CA-O 3.41Å; R262-S329 PolarHBondContact N-O 3.09Å; R262-S329 PolarHBondContact O-N 2.74Å
330I90.4Very high77.9Confident67 Ų6764.6 Ų64.634%0.34434%0.344SS..EExtended strand (participates in β ladder)trans-72.6129.2169.9-61.7173.8000108Y203 P259 Y261 I332Y203-I330 HydrophobicContact CD1-CG1 4.4Å; Y203-I330 HydrophobicContact CD2-CD1 4Å; Y203-I330 HydrophobicContact CD2-CG1 4.25Å; Y203-I330 HydrophobicContact CE2-CD1 4.09Å; Y203-I330 HydrophobicContact CE2-CG1 4.37Å; Y203-I330 HydrophobicContact CG-CD1 4.49Å; Y203-I330 HydrophobicContact CG-CG1 4.28Å; P259-I330 HydrophobicContact CB-CG2 3.79Å; P259-I330 HydrophobicContact CG-CG2 4.07Å; Y261-I330 HydrophobicContact CD1-CG1 4.2Å; Y261-I330 HydrophobicContact CE1-CG1 4.03Å; I330-I332 HydrophobicContact CG2-CG1 4.39Å; I330-I332 PolarHBondContact O-N 2.73Å
331D84.1Confident77.5Confident10 Ų1063.8 Ų63.85%0.05334%0.344CS..  trans-87.591.6179.4-160.1-19000109.5R260 R262 D333 I334R260-D331 HydrophobicContact CB-CB 4.18Å; R260-D331 WeakPolarHBondContact O-CB 3.31Å; R260-D331 PolarHBondContact O-N 3.17Å; R262-D331 HydrophobicContact CB-CB 4.48Å; R262-D331 IonicContact CZ-OD1 3.36Å; R262-D331 IonicContact CZ-OD2 3.29Å; R262-D331 IonicContact NE-OD2 3.02Å; R262-D331 PolarHBondContact NE-OD2 3.19Å; R262-D331 VanDerWaalsContact NE-OD2 3.12Å; R262-D331 IonicContact NH2-OD1 2.8Å; R262-D331 PolarHBondContact NH2-OD1 3.45Å; R262-D331 IonicContact NH2-OD2 2.78Å; R262-D331 PolarHBondContact NH2-OD2 2.98Å; D331-D333 VanDerWaalsContact C-N 3.26Å; D331-D333 PolarHBondContact O-N 3.09Å; D331-I334 HydrophobicContact CB-CD1 4.5Å
332I71.1Confident76.8Confident127 Ų12766 Ų6665%0.65136%0.357SS*.G310 helixtrans-71.8-23.4-175.7-56.7172.3000111.2I330 I334 D335I330-I332 HydrophobicContact CG2-CG1 4.39Å; I330-I332 PolarHBondContact O-N 2.73Å; I332-I334 PolarHBondContact O-N 2.68Å; I332-I334 VanDerWaalsContact O-N 3.14Å; I332-D335 PolarHBondContact O-N 3.31Å
333D58Low76Confident134 Ų13470.3 Ų70.372%0.71738%0.38SS*.G310 helixtrans-73-7.3-172.1-66.9-42.2000114.1D331D331-D333 VanDerWaalsContact C-N 3.26Å; D331-D333 PolarHBondContact O-N 3.09Å
334I53.3Low74.9Confident54 Ų5472.9 Ų72.928%0.27740%0.395SS..G310 helixtrans-110-7.7-176.8-46.4170.9000113.5R260 D331 I332R260-I334 HydrophobicContact CB-CD1 4.44Å; D331-I334 HydrophobicContact CB-CD1 4.5Å; I332-I334 PolarHBondContact O-N 2.68Å; I332-I334 VanDerWaalsContact O-N 3.14Å
335D48.1Very low73.5Confident134 Ų13478.5 Ų78.572%0.71743%0.425SS*.THydrogen-bonded Turntrans-94.69.5-176.4-1332.6000113.5I332I332-D335 PolarHBondContact O-N 3.31Å
336M40.8Very low71.7Confident183 Ų18376.9 Ų76.990%0.90143%0.43SS*.THydrogen-bonded Turntrans-112.614-177.3-73.3-91.4-115.100114.1
337S34.2Very low69.5Low163 Ų16383.9 Ų83.9100%1.1447%0.469SS*.  trans-124.20177.565.90000112.1

Retrieved 337 of 337 residues in 858.3 ms (Link to these results)