A0A087XXU5_POEFO Loading...

Integrin beta-1-binding protein 1

AlphaFold DB , UniProt , Accession A0A087XXU5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 198 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.1Very low44.2Very low244 Ų244178.8 Ų178.8100%1.20285%0.854SS**  0127.20-148.2160.7164.900107.8
2F44.9Very low43.8Very low199 Ų199173.1 Ų173.187%0.87385%0.847SS**  trans-56.4152.6-168.5-58.5-91.1000114.2
3R51.2Low43.4Very low254 Ų254168.1 Ų168.196%0.95884%0.84SS**  -162.4149.875.9-86.3177.1177.8165.6-0.1115
4K51.4Low43.3Very low184 Ų184164.4 Ų164.480%0.884%0.839SS**  trans-96.4143.8179.4171.7-169.3-169.4174.80109.5
5V43.6Very low43Very low150 Ų150166.4 Ų166.491%0.90984%0.843SS**  trans-148.1140.1144.4-176.70000111.4
6K49.2Very low42.5Very low147 Ų147162.3 Ų162.364%0.63984%0.835SS**  trans-116.8146.4-175.8156.9-179.2-178.4163.10108.5
7K41.7Very low42.2Very low201 Ų201158.9 Ų158.987%0.87483%0.828SS**  trans-168.3109.5150.6-113-179.4174.9-179.30107.8
8R43.3Very low41.7Very low182 Ų182160.2 Ų160.269%0.68783%0.83SS**  7810970.1-79.1-162.9162.1163.8-1.7114.6
9H44.4Very low41.5Very low162 Ų162160.3 Ų160.375%0.7583%0.83SS**  trans38.8137.2138-43.9-68.6000121.2
10S36.9Very low41.4Very low128 Ų128158.4 Ų158.490%0.89583%0.831SS**  -168.9156.2110-63.80000111.1
11S38Very low41.3Very low116 Ų116157.2 Ų157.281%0.81183%0.831SS**  trans-117.2151.7-166.841.40000112.2
12S38.9Very low41.1Very low110 Ų110155 Ų15577%0.76981%0.814SS**  trans-178.613014355.40000107.3
13S38.7Very low40.8Very low108 Ų108150.9 Ų150.976%0.75581%0.81SS**  cis73.6106.54575.70000115.3
14S41.9Very low40.2Very low117 Ų117149 Ų14982%0.81881%0.809SS**  trans-172.8109.9151.1-67.10000106.5
15Q39.4Very low39.5Very low194 Ų194145.9 Ų145.991%0.90781%0.81SS**  44.1129.285.1-76.5-175.1-11.400112.8
16S34Very low39.4Very low101 Ų101145.6 Ų145.671%0.70681%0.809SS**  cis-171.9165.232.744.80000113.2
17S37.3Very low38.7Very low104 Ų104146.1 Ų146.173%0.72782%0.818SS**  trans64.5136.8143.655.90000119
18E34.6Very low38.6Very low183 Ų183141 Ų14186%0.85581%0.808SS**  cis-160.8153.943.4-67.4177.7128.600111.2
19I37Very low38.3Very low162 Ų162138 Ų13883%0.83182%0.815SS**  155.6113128.1-157.3164000110.7
20S39Very low38.3Very low121 Ų121138.9 Ų138.985%0.84682%0.824SS**  trans-158.596.6163.5-1650000108.7K22S20-K22 PolarHBondContact O-N 3.3Å
21T39.7Very low38.4Very low135 Ų135136.7 Ų136.783%0.82882%0.822SS**  trans-84.9112175.145.80000109.7
22K38.7Very low38.3Very low196 Ų196134.6 Ų134.685%0.85282%0.818SS**  trans-77.3143.5175-166175-178.5-179.70111S20S20-K22 PolarHBondContact O-N 3.3Å
23S38.1Very low38.2Very low114 Ų114137.2 Ų137.280%0.79782%0.823SS**  trans-42142.6177.8-25.70000115.6
24K37.7Very low38.1Very low213 Ų213136.9 Ų136.993%0.92682%0.821SS**  trans-112.1130.1160.5-81.1-172.6176.6-179.90110.5
25S37.3Very low38.6Very low119 Ų119142.8 Ų142.883%0.83283%0.825SS**  trans-77.7150.4178.246.40000112.7
26V42.3Very low38.7Very low145 Ų145139.6 Ų139.688%0.87982%0.824SS**  trans-74.3139.5163.6-1040000110.9
27D33.2Very low39.5Very low157 Ų157139.9 Ų139.984%0.8483%0.826SS**  -161.1162.3127.7-151.2-0.8000111.6
28S40Very low40.1Very low93 Ų93141.7 Ų141.765%0.6583%0.833SS**  trans-87.5163.8-154.652.60000116.8
29S37.6Very low40.8Very low119 Ų119139.1 Ų139.183%0.83283%0.829SS**  trans-166.3119.6143.5-84.70000114.3
30L44.4Very low41.4Very low182 Ų182136 Ų13695%0.95383%0.828SS**  trans2.2141.2149.2-73.8141.3000122.9
31G37.8Very low41.5Very low82 Ų82135.3 Ų135.385%0.84582%0.823SS**  trans121.9128.215100000112.7
32G36.7Very low41.9Very low71 Ų71136.2 Ų136.273%0.73282%0.822SS**  cis171.81562.700000108
33L36.1Very low42Very low165 Ų165134.5 Ų134.586%0.86482%0.822SS**  trans74.9106.4155.8-51.6-179.6000120.8
34S38.2Very low42.8Very low102 Ų102135 Ų13571%0.71382%0.82SS**  72.9120.4121.8-49.60000119.8
35R50.8Low42.7Very low241 Ų241132 Ų13291%0.90981%0.814SS**  170.7130.892.4-87.3-176.6167.2-176.4-5.8110.2
36S42.2Very low43.1Very low126 Ų126131.5 Ų131.588%0.88181%0.811SS**  trans-54.1137.6169.5-63.70000112.1
37S50Low42.9Very low107 Ų107131.8 Ų131.875%0.74881%0.808SS**  trans-140.2119.614455.60000108.5
38T50.5Low43.8Very low143 Ų143134.1 Ų134.188%0.87781%0.81SS**  trans-67122.8167.635.40000109.2
39V49.3Very low44Very low129 Ų129134.5 Ų134.578%0.78281%0.813SS**  trans-138.4113.1156.2-134.70000107.9
40A49.7Very low44.5Very low97 Ų97135 Ų13580%0.80282%0.816SS**  trans-69.6130.717000000108.7
41S41.7Very low44.1Very low105 Ų105128.3 Ų128.373%0.73479%0.792SS**  trans-16099.8160.5-77.30000110.3
42L48Very low44.6Very low155 Ų155131.5 Ų131.581%0.81279%0.789SS**  trans49.399.5139.1-68.7144.4000117.1T44L42-T44 PolarHBondContact O-N 3.15Å
43D40.9Very low44.7Very low160 Ų160135 Ų13586%0.85679%0.791SS**  trans-46.6108152.4-56.8-65.3000109.6
44T54.3Low45Very low123 Ų123131.1 Ų131.176%0.75578%0.783SS**  trans-108.985.6155.70.20000105.7L42 S46L42-T44 PolarHBondContact O-N 3.15Å; T44-S46 PolarHBondContact O-N 2.99Å; T44-S46 PolarHBondContact O-OG 2.88Å
45D36.6Very low45.4Very low150 Ų150130.2 Ų130.280%0.80278%0.776SS**  trans-54.394.3163.3-95.4-33.5000107.6N47D45-N47 PolarHBondContact O-N 3.08Å
46S44.3Very low45.3Very low110 Ų110126.7 Ų126.777%0.76977%0.77SS**  trans-73.576.2168-56.90000105.8T44 K48T44-S46 PolarHBondContact O-N 2.99Å; T44-S46 PolarHBondContact O-OG 2.88Å; S46-K48 VanDerWaalsContact C-N 3.3Å; S46-K48 PolarHBondContact O-N 3.16Å
47N39.1Very low46.6Very low151 Ų151124.7 Ų124.781%0.80776%0.762SS**  trans-60.4101.7173.3-143.414.1000106.1D45 S49D45-N47 PolarHBondContact O-N 3.08Å; N47-S49 PolarHBondContact O-N 3.18Å
48K51.6Low48.2Very low206 Ų206122.7 Ų122.790%0.89675%0.747SS**  trans-63.277.1168.6-115.8-179.8179.2176.90106.7S46 S50S46-K48 VanDerWaalsContact C-N 3.3Å; S46-K48 PolarHBondContact O-N 3.16Å; K48-S50 PolarHBondContact O-N 3.41Å
49S43.3Very low50.4Low101 Ų101117.2 Ų117.271%0.70672%0.716SS**  trans-71.5110.5159.966.90000105.8N47 G51N47-S49 PolarHBondContact O-N 3.18Å; S49-G51 PolarHBondContact O-N 3.42Å
50S49.5Very low52.6Low129 Ų129115.5 Ų115.590%0.90270%0.7SS**  trans-64.469.3163.8620000108.8K48K48-S50 PolarHBondContact O-N 3.41Å
51G34.8Very low54.9Low42 Ų42111.8 Ų111.843%0.43367%0.665SS.*  trans-80.5117.8176.900000108.6S49 N53S49-G51 PolarHBondContact O-N 3.42Å; G51-N53 VanDerWaalsContact C-N 3.34Å; G51-N53 PolarHBondContact O-N 3.15Å
52N49.9Very low57.5Low149 Ų149113 Ų11380%0.79765%0.654SS**  trans-60.786.9176.7-164.441000110.6A54N52-A54 PolarHBondContact O-N 3.2Å
53N37.3Very low59.9Low145 Ų145105.8 Ų105.878%0.77562%0.616SS**  trans-81.134.6178.7-71.8-10.1000113.1G51 S55G51-N53 VanDerWaalsContact C-N 3.34Å; G51-N53 PolarHBondContact O-N 3.15Å; N53-S55 PolarHBondContact O-N 3.44Å; N53-S55 VanDerWaalsContact O-N 3.08Å
54A43.6Very low62.6Low83 Ų83100.5 Ų100.569%0.68659%0.585SS**THydrogen-bonded Turntrans-69.61.9173.100000113.2N52N52-A54 PolarHBondContact O-N 3.2Å
55S45.4Very low64.6Low82 Ų8297.4 Ų97.457%0.57356%0.56SS**THydrogen-bonded Turntrans-87.5-21.8-168.7-165.80000115.5N53 K114N53-S55 PolarHBondContact O-N 3.44Å; N53-S55 VanDerWaalsContact O-N 3.08Å; S55-K114 PolarHBondContact O-NZ 3.18Å
56E50.1Low67.5Low167 Ų16790.7 Ų90.778%0.7853%0.525SS*.  trans-14727.6-173.5-64.2-154.2155.200115.9C58E56-C58 PolarHBondContact O-N 3.02Å
57A67.9Low70Confident85 Ų8585.9 Ų85.970%0.70249%0.493SS*.  trans-70.6101.9-179.300000111.7
58C84.7Confident72.8Confident65 Ų6580.3 Ų80.344%0.43947%0.466SS..  trans-93.7121.9165.6-176.40000108.4E56E56-C58 PolarHBondContact O-N 3.02Å
59A95.6Very high74.8Confident28 Ų2871.4 Ų71.423%0.23143%0.428CS..EExtended strand (participates in β ladder)trans-97.1128.9174.200000109.5F61 G111 V112 V184A59-F61 HydrophobicContact CB-CE2 3.58Å; A59-F61 HydrophobicContact CB-CZ 3.8Å; A59-G111 CarbonylContact O-C 3.53Å; A59-G111 WeakPolarHBondContact O-CA 3.32Å; A59-V112 PolarHBondContact N-O 2.83Å; A59-V112 PolarHBondContact O-N 2.76Å; A59-V184 HydrophobicContact CB-CG1 3.96Å; A59-V184 HydrophobicContact CB-CG2 4.15Å
60E96.5Very high77.2Confident93 Ų9371 Ų7144%0.43542%0.415SS..EExtended strand (participates in β ladder)trans-111.7137.8-178.8-64.9-170.3161.600111V109 Q124E60-V109 HydrophobicContact CB-CG1 3.95Å; E60-V109 HydrophobicContact CG-CG1 4.17Å; E60-Q124 PolarHBondContact OE2-NE2 2.83Å
61F97.4Very high79Confident19 Ų1969.9 Ų69.98%0.08340%0.399CS..EExtended strand (participates in β ladder)trans-134.1135.7-175.5-56.7-87.7000110.3A59 V63 L110 V112 Q177 N180 I181 V184A59-F61 HydrophobicContact CB-CE2 3.58Å; A59-F61 HydrophobicContact CB-CZ 3.8Å; F61-V63 HydrophobicContact CB-CG1 4.46Å; F61-L110 HydrophobicContact CD2-CD2 4.49Å; F61-L110 PolarHBondContact N-O 3.49Å; F61-L110 PolarHBondContact O-N 2.6Å; F61-V112 HydrophobicContact CD2-CG2 4.4Å; F61-V112 HydrophobicContact CE2-CG2 4.21Å; F61-Q177 HydrophobicContact CD1-CG 4.03Å; F61-N180 HydrophobicContact CE1-CB 4.25Å; F61-I181 HydrophobicContact CB-CD1 3.92Å; F61-I181 HydrophobicContact CB-CG1 4.07Å; F61-I181 HydrophobicContact CD1-CD1 4.21Å; F61-I181 HydrophobicContact CD1-CG1 3.66Å; F61-I181 HydrophobicContact CD2-CD1 4.3Å; F61-I181 HydrophobicContact CD2-CG1 3.54Å; F61-I181 HydrophobicContact CE1-CG1 3.88Å; F61-I181 HydrophobicContact CE2-CG1 3.76Å; F61-I181 HydrophobicContact CG-CD1 3.9Å; F61-I181 HydrophobicContact CG-CG1 3.47Å; F61-I181 VanDerWaalsContact CG-CG1 3.47Å; F61-I181 HydrophobicContact CZ-CG1 3.92Å; F61-V184 HydrophobicContact CZ-CG2 4.18Å
62R97.6Very high81.4Confident131 Ų13168.9 Ų68.949%0.49438%0.383SS..EExtended strand (participates in β ladder)trans-81.2121.4170.7-70.2174.3176.2-91.2-7.2110E107 M108 V122 Q177R62-E107 IonicContact NH1-OE2 3.13Å; R62-E107 PolarHBondContact NH1-OE2 3.12Å; R62-E107 VanDerWaalsContact NH1-OE2 3.13Å; R62-M108 WeakPolarHBondContact CA-O 3.47Å; R62-V122 VanDerWaalsContact NH1-CG1 3.32Å; R62-Q177 PolarHBondContact O-NE2 2.84Å
63V97.5Very high82.9Confident2 Ų269.1 Ų69.11%0.01238%0.379CS..EExtended strand (participates in β ladder)trans-134.9161.1-179.9-60.80000110F61 E107 M108 L110 Y170 I181F61-V63 HydrophobicContact CB-CG1 4.46Å; V63-E107 CarbonylContact O-C 3.53Å; V63-E107 WeakPolarHBondContact O-CA 3.37Å; V63-M108 PolarHBondContact N-O 2.95Å; V63-M108 PolarHBondContact O-N 2.85Å; V63-L110 HydrophobicContact CG1-CB 4.3Å; V63-L110 HydrophobicContact CG2-CB 3.72Å; V63-L110 HydrophobicContact CG2-CD1 4.14Å; V63-Y170 HydrophobicContact CG2-CD1 4.13Å; V63-Y170 HydrophobicContact CG2-CG 4.48Å; V63-I181 HydrophobicContact CG1-CD1 4.14Å
64K97.7Very high84.2Confident49 Ų4966.7 Ų66.721%0.21336%0.362CS..EExtended strand (participates in β ladder)trans-101.9141.8169.3-67.7-179163.2-1620109.7P103 G104 D105 E107 Y170 Q171K64-P103 HydrophobicContact CB-CB 3.99Å; K64-P103 HydrophobicContact CB-CG 3.85Å; K64-P103 HydrophobicContact CD-CG 4.19Å; K64-G104 WeakPolarHBondContact CD-O 3.48Å; K64-D105 IonicContact NZ-OD1 2.98Å; K64-D105 PolarHBondContact NZ-OD1 3.42Å; K64-E107 HydrophobicContact CG-CG 4.48Å; K64-Y170 CarbonylContact O-C 3.53Å; K64-Y170 VanDerWaalsContact O-CA 3.3Å; K64-Y170 WeakPolarHBondContact O-CA 3.27Å; K64-Q171 HydrophobicContact CB-CB 4.33Å; K64-Q171 PolarHBondContact N-O 2.75Å; K64-Q171 PolarHBondContact O-N 3.21Å
65Y97Very high85.3Confident58 Ų5870.1 Ų70.123%0.22736%0.364CS..EExtended strand (participates in β ladder)trans-89.5125.3178.1-179.7-116.9000110.8G67 S68 P103 M108 W168 Y170Y65-G67 WeakPolarHBondContact CE2-O 3.48Å; Y65-G67 VanDerWaalsContact CZ-C 3.4Å; Y65-G67 VanDerWaalsContact CZ-CA 3.46Å; Y65-S68 VanDerWaalsContact OH-CB 3.23Å; Y65-S68 WeakPolarHBondContact OH-CB 3.49Å; Y65-S68 PolarHBondContact OH-N 3.1Å; Y65-S68 VanDerWaalsContact OH-N 3.15Å; Y65-S68 PolarHBondContact OH-OG 3.16Å; Y65-P103 VanDerWaalsContact O-CB 3.25Å; Y65-P103 WeakPolarHBondContact O-CB 3.43Å; Y65-M108 HydrophobicContact CG-SD 4.29Å; Y65-W168 HydrophobicContact CE2-CE3 4.49Å; Y65-Y170 AromaticContact CD2-CD1 3.76Å; Y65-Y170 HydrophobicContact CD2-CD1 3.76Å; Y65-Y170 AromaticContact CD2-CE1 3.53Å; Y65-Y170 HydrophobicContact CD2-CE1 3.53Å; Y65-Y170 HydrophobicContact CE2-CE1 4.07Å
66V97.2Very high86.3Confident9 Ų969.8 Ų69.86%0.05535%0.354CS..EExtended strand (participates in β ladder)trans-89.8-45.9178.5-179.50000109.9P100 P103 L152 V169 Q171V66-P100 HydrophobicContact CG1-CG 4.06Å; V66-P100 VanDerWaalsContact CG1-O 3.31Å; V66-P100 WeakPolarHBondContact CG1-O 3.28Å; V66-P100 VanDerWaalsContact O-CD 3.24Å; V66-P100 WeakPolarHBondContact O-CD 3.5Å; V66-P100 WeakPolarHBondContact O-CG 3.43Å; V66-P103 HydrophobicContact CG2-CB 3.93Å; V66-P103 HydrophobicContact CG2-CG 4.13Å; V66-L152 HydrophobicContact CG2-CD2 4.06Å; V66-V169 HydrophobicContact CB-CB 4.03Å; V66-V169 HydrophobicContact CB-CG1 3.91Å; V66-V169 WeakPolarHBondContact CB-O 3.36Å; V66-V169 HydrophobicContact CG1-CB 4.46Å; V66-V169 HydrophobicContact CG1-CG1 4.22Å; V66-V169 HydrophobicContact CG2-CG1 4.04Å; V66-V169 PolarHBondContact N-O 3.41Å; V66-Q171 HydrophobicContact CG2-CB 4.11Å
67G96.8Very high86.9Confident10 Ų1062.4 Ų62.410%0.10332%0.321CS..EExtended strand (participates in β ladder)trans158.4-176.1178.700000113Y65 V169Y65-G67 WeakPolarHBondContact CE2-O 3.48Å; Y65-G67 VanDerWaalsContact CZ-C 3.4Å; Y65-G67 VanDerWaalsContact CZ-CA 3.46Å; G67-V169 PolarHBondContact N-O 3.05Å; G67-V169 PolarHBondContact O-N 2.92Å
68S96.8Very high86.9Confident34 Ų3464.4 Ų64.424%0.23831%0.314CS..EExtended strand (participates in β ladder)trans-131.6153.6175.158.80000111.6Y65 E70 I167 W168Y65-S68 VanDerWaalsContact OH-CB 3.23Å; Y65-S68 WeakPolarHBondContact OH-CB 3.49Å; Y65-S68 PolarHBondContact OH-N 3.1Å; Y65-S68 VanDerWaalsContact OH-N 3.15Å; Y65-S68 PolarHBondContact OH-OG 3.16Å; S68-E70 PolarHBondContact OG-OE1 2.76Å; S68-I167 CarbonylContact C-O 3.49Å; S68-I167 VanDerWaalsContact CA-O 3.23Å; S68-I167 WeakPolarHBondContact CA-O 3.5Å; S68-W168 VanDerWaalsContact CB-CE3 3.48Å
69I95.1Very high86.4Confident18 Ų1864.9 Ų64.99%0.09232%0.315CS..EExtended strand (participates in β ladder)trans-122.6106.6165.7-52.4171.1000106L72 Y89 A93 L99 S166 I167I69-L72 HydrophobicContact CG2-CD1 3.99Å; I69-L72 HydrophobicContact CG2-CD2 3.67Å; I69-L72 HydrophobicContact CG2-CG 3.92Å; I69-Y89 HydrophobicContact CD1-CD1 4.27Å; I69-Y89 HydrophobicContact CD1-CE1 3.76Å; I69-Y89 HydrophobicContact CG2-CE1 4.38Å; I69-A93 HydrophobicContact CD1-CB 3.5Å; I69-L99 HydrophobicContact CD1-CD1 3.73Å; I69-L99 HydrophobicContact CD1-CG 4.18Å; I69-L99 HydrophobicContact CG1-CD1 3.96Å; I69-L99 HydrophobicContact CG1-CD2 4.29Å; I69-L99 HydrophobicContact CG1-CG 4.07Å; I69-S166 CarbonylContact O-C 3.56Å; I69-S166 VanDerWaalsContact O-CA 3.28Å; I69-S166 WeakPolarHBondContact O-CA 3.05Å; I69-I167 HydrophobicContact CB-CB 4.48Å; I69-I167 PolarHBondContact N-O 2.85Å; I69-I167 PolarHBondContact O-N 3.12Å
70E93.2Very high85.6Confident94 Ų9464 Ų6444%0.43931%0.306SS..EExtended strand (participates in β ladder)trans-106.7158.8-170.8-65177.6-137.200112.2S68 L72 S166 W168S68-E70 PolarHBondContact OG-OE1 2.76Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.23Å; E70-S166 WeakPolarHBondContact CA-OG 3.31Å; E70-W168 HydrophobicContact CG-CH2 4.01Å; E70-W168 HydrophobicContact CG-CZ2 4.25Å; E70-W168 WeakPolarHBondContact OE1-CH2 3.41Å
71N86.3Confident84.8Confident105 Ų10564.3 Ų64.356%0.56131%0.308SS*.EExtended strand (participates in β ladder)trans58.635.1173.2-52.8-50.8000114Q73 S166N71-Q73 PolarHBondContact O-N 2.73Å; N71-S166 PolarHBondContact N-OG 2.96Å
72L86.6Confident84.4Confident21 Ų2168.9 Ų68.911%0.1133%0.329CS..EExtended strand (participates in β ladder)trans-66.5131.1173.1-63.8172.1000109.6I69 E70 L80 Y89 Q164 C165 I167I69-L72 HydrophobicContact CG2-CD1 3.99Å; I69-L72 HydrophobicContact CG2-CD2 3.67Å; I69-L72 HydrophobicContact CG2-CG 3.92Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.23Å; L72-L80 HydrophobicContact CD1-CD1 4.46Å; L72-Y89 HydrophobicContact CD1-CE1 3.92Å; L72-Y89 HydrophobicContact CD2-CE1 4.5Å; L72-Y89 VanDerWaalsContact CD2-OH 3.22Å; L72-Y89 WeakPolarHBondContact CD2-OH 3.35Å; L72-Q164 VanDerWaalsContact O-CA 3.31Å; L72-Q164 WeakPolarHBondContact O-CA 3.12Å; L72-C165 VanDerWaalsContact CB-O 3.27Å; L72-C165 WeakPolarHBondContact CB-O 3.43Å; L72-C165 PolarHBondContact N-O 2.77Å; L72-C165 PolarHBondContact O-N 2.86Å; L72-C165 VanDerWaalsContact O-N 3.12Å; L72-I167 HydrophobicContact CD1-CD1 3.66Å; L72-I167 HydrophobicContact CD1-CG1 4.12Å
73Q80.3Confident84.2Confident153 Ų15364.9 Ų64.972%0.71532%0.32SS*.EExtended strand (participates in β ladder)trans-65.3153.9-178.1-66.6-163.1-2.300112.7N71 E75 M76 S77N71-Q73 PolarHBondContact O-N 2.73Å; Q73-E75 PolarHBondContact O-N 3.27Å; Q73-E75 VanDerWaalsContact O-N 3.07Å; Q73-M76 PolarHBondContact O-N 3.07Å; Q73-S77 PolarHBondContact O-N 2.91Å
74F65.9Low84Confident94 Ų9471.1 Ų71.141%0.41235%0.353SS..Hα-helixtrans-48.8-38-174.9-174.4-121.9000114.7M76 S77 K78 Q162 Q163F74-M76 VanDerWaalsContact C-N 3.3Å; F74-M76 PolarHBondContact O-N 3.42Å; F74-S77 WeakPolarHBondContact O-CB 3.31Å; F74-S77 PolarHBondContact O-N 3.23Å; F74-S77 PolarHBondContact O-OG 3Å; F74-K78 HydrophobicContact CE1-CD 4.35Å; F74-K78 PolarHBondContact O-N 3.3Å; F74-Q162 VanDerWaalsContact CD2-O 3.31Å; F74-Q162 WeakPolarHBondContact CD2-O 3.36Å; F74-Q162 WeakPolarHBondContact CE2-O 3.18Å; F74-Q163 WeakPolarHBondContact CA-O 3.34Å; F74-Q163 WeakPolarHBondContact CB-O 3.44Å; F74-Q163 PolarHBondContact N-O 2.79Å
75E66.3Low83.7Confident156 Ų15672.3 Ų72.373%0.72936%0.361SS*.Hα-helixtrans-63.7-38-178.3-162.3134.5-140.300111.8Q73 S77 K78 T79Q73-E75 PolarHBondContact O-N 3.27Å; Q73-E75 VanDerWaalsContact O-N 3.07Å; E75-S77 VanDerWaalsContact C-N 3.34Å; E75-K78 PolarHBondContact O-N 2.95Å; E75-T79 PolarHBondContact O-N 3.33Å
76M64.9Low83.6Confident74 Ų7469.7 Ų69.737%0.36535%0.351SS..Hα-helixtrans-72.7-28.2173.6-63-63.3-81.300112.1Q73 F74 K78 T79 L80 Y89Q73-M76 PolarHBondContact O-N 3.07Å; F74-M76 VanDerWaalsContact C-N 3.3Å; F74-M76 PolarHBondContact O-N 3.42Å; M76-K78 PolarHBondContact O-N 3.11Å; M76-T79 WeakPolarHBondContact CA-OG1 3.38Å; M76-T79 PolarHBondContact O-N 2.91Å; M76-T79 PolarHBondContact O-OG1 2.92Å; M76-L80 VanDerWaalsContact O-CG 3.3Å; M76-L80 WeakPolarHBondContact O-CG 3.31Å; M76-L80 PolarHBondContact O-N 3.36Å; M76-L80 VanDerWaalsContact O-N 3.09Å; M76-Y89 HydrophobicContact CE-CD2 4.03Å; M76-Y89 HydrophobicContact CE-CE2 3.44Å; M76-Y89 VanDerWaalsContact CE-CE2 3.44Å
77S63.4Low83.5Confident12 Ų1271 Ų718%0.08436%0.358CS..Hα-helixtrans-63.8-29.217682.90000112.7Q73 F74 E75 Q81 K156Q73-S77 PolarHBondContact O-N 2.91Å; F74-S77 WeakPolarHBondContact O-CB 3.31Å; F74-S77 PolarHBondContact O-N 3.23Å; F74-S77 PolarHBondContact O-OG 3Å; E75-S77 VanDerWaalsContact C-N 3.34Å; S77-Q81 PolarHBondContact O-NE2 2.96Å; S77-Q81 VanDerWaalsContact O-NE2 3.15Å; S77-K156 PolarHBondContact O-NZ 3.48Å
78K68.8Low83.4Confident128 Ų12874.1 Ų74.156%0.55738%0.378SS*.Hα-helixtrans-80.6-31.4176-71.5-175.3177.8175.50113.5F74 E75 M76 Q81F74-K78 HydrophobicContact CE1-CD 4.35Å; F74-K78 PolarHBondContact O-N 3.3Å; E75-K78 PolarHBondContact O-N 2.95Å; M76-K78 PolarHBondContact O-N 3.11Å; K78-Q81 WeakPolarHBondContact O-CG 3.45Å
79T74.1Confident83.3Confident75 Ų7574.7 Ų74.746%0.4638%0.376SS..Hα-helixtrans-76.4-30.1176.354.80000111.5E75 M76 Q81 D85E75-T79 PolarHBondContact O-N 3.33Å; M76-T79 WeakPolarHBondContact CA-OG1 3.38Å; M76-T79 PolarHBondContact O-N 2.91Å; M76-T79 PolarHBondContact O-OG1 2.92Å; T79-Q81 PolarHBondContact O-N 3.05Å; T79-Q81 VanDerWaalsContact O-N 3.13Å; T79-D85 VanDerWaalsContact O-OD2 3.07Å
80L79.1Confident83.4Confident8 Ų873.9 Ų73.94%0.04237%0.371CS..THydrogen-bonded Turntrans-8740.8178.6-57.6178000113.3L72 M76 D85 L86 Y89 K156 I167L72-L80 HydrophobicContact CD1-CD1 4.46Å; M76-L80 VanDerWaalsContact O-CG 3.3Å; M76-L80 WeakPolarHBondContact O-CG 3.31Å; M76-L80 PolarHBondContact O-N 3.36Å; M76-L80 VanDerWaalsContact O-N 3.09Å; L80-D85 HydrophobicContact CD2-CB 4.23Å; L80-D85 WeakPolarHBondContact CD2-O 3.42Å; L80-L86 HydrophobicContact CD1-CD1 4.43Å; L80-Y89 HydrophobicContact CD1-CD1 4.15Å; L80-Y89 HydrophobicContact CD1-CD2 4.47Å; L80-Y89 HydrophobicContact CD1-CG 4.1Å; L80-Y89 HydrophobicContact CD2-CD2 4.16Å; L80-Y89 HydrophobicContact CD2-CG 3.89Å; L80-K156 PolarHBondContact O-NZ 3.38Å; L80-I167 HydrophobicContact CD1-CD1 3.93Å
81Q78.6Confident83.5Confident100 Ų10072 Ų7247%0.46736%0.364SS..THydrogen-bonded Turntrans-82.7-38.2179.4-72.4-69.8-40.100111.9S77 K78 T79 R138S77-Q81 PolarHBondContact O-NE2 2.96Å; S77-Q81 VanDerWaalsContact O-NE2 3.15Å; K78-Q81 WeakPolarHBondContact O-CG 3.45Å; T79-Q81 PolarHBondContact O-N 3.05Å; T79-Q81 VanDerWaalsContact O-N 3.13Å; Q81-R138 PolarHBondContact O-NH1 3.01Å; Q81-R138 PolarHBondContact O-NH2 3.28Å
82E89.4Confident83.9Confident116 Ų11668.8 Ų68.854%0.54235%0.352SS..SBendtrans-82.2150.2-179.9-63.7-56.8139.200112.1L84 D85 L86E82-L84 VanDerWaalsContact C-N 3.25Å; E82-L84 PolarHBondContact O-N 3.1Å; E82-D85 WeakPolarHBondContact CB-OD2 3.5Å; E82-D85 PolarHBondContact O-N 3.06Å; E82-L86 PolarHBondContact O-N 3.39Å
83P92.8Very high84.4Confident47 Ų4767.9 Ų67.931%0.30535%0.348SS..Hα-helixtrans-56.9-41178.1-1624.8000112.8L86 I87 L140P83-L86 PolarHBondContact O-N 3.18Å; P83-I87 WeakPolarHBondContact O-CG1 3.42Å; P83-I87 PolarHBondContact O-N 3.41Å; P83-I87 VanDerWaalsContact O-N 3.14Å; P83-L140 HydrophobicContact CB-CD1 3.98Å; P83-L140 HydrophobicContact CB-CD2 3.96Å; P83-L140 WeakPolarHBondContact O-CD1 3.37Å
84L93.5Very high85.1Confident133 Ų13361 Ų6170%0.69632%0.316SS*.Hα-helixtrans-69.9-34.4-176-62.4178.9000112.1E82 L86 I87 S88E82-L84 VanDerWaalsContact C-N 3.25Å; E82-L84 PolarHBondContact O-N 3.1Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L84-I87 PolarHBondContact O-N 3Å; L84-S88 WeakPolarHBondContact O-CB 3.4Å; L84-S88 PolarHBondContact O-N 3.4Å
85D92.6Very high86.6Confident73 Ų7363.7 Ų63.739%0.3933%0.33SS..Hα-helixtrans-65.7-40.1176.4-61.9-28.3000110.7T79 L80 E82 S88 Y89T79-D85 VanDerWaalsContact O-OD2 3.07Å; L80-D85 HydrophobicContact CD2-CB 4.23Å; L80-D85 WeakPolarHBondContact CD2-O 3.42Å; E82-D85 WeakPolarHBondContact CB-OD2 3.5Å; E82-D85 PolarHBondContact O-N 3.06Å; D85-S88 PolarHBondContact O-N 3.27Å; D85-Y89 VanDerWaalsContact O-CB 3.29Å; D85-Y89 WeakPolarHBondContact O-CB 3.4Å; D85-Y89 PolarHBondContact O-N 2.89Å
86L93.5Very high88Confident3 Ų361.3 Ų61.32%0.01632%0.322CS..Hα-helixtrans-65-42.8176.1-176.756.8000112L80 E82 P83 L84 Y89 I90 L140 A154 K156 I167L80-L86 HydrophobicContact CD1-CD1 4.43Å; E82-L86 PolarHBondContact O-N 3.39Å; P83-L86 PolarHBondContact O-N 3.18Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L86-Y89 PolarHBondContact O-N 2.91Å; L86-I90 HydrophobicContact CD1-CD1 4.3Å; L86-I90 HydrophobicContact CG-CD1 4.23Å; L86-I90 WeakPolarHBondContact O-CG1 3.3Å; L86-I90 PolarHBondContact O-N 2.87Å; L86-I90 VanDerWaalsContact O-N 3.1Å; L86-L140 HydrophobicContact CB-CD1 4.03Å; L86-L140 HydrophobicContact CD2-CD1 3.74Å; L86-L140 HydrophobicContact CD2-CG 4.35Å; L86-L140 HydrophobicContact CG-CD1 4.18Å; L86-A154 HydrophobicContact CD2-CB 4.49Å; L86-K156 HydrophobicContact CD2-CB 4.11Å; L86-I167 HydrophobicContact CD1-CD1 3.53Å; L86-I167 HydrophobicContact CD1-CG1 3.89Å; L86-I167 HydrophobicContact CD1-CG2 4.15Å
87I95.9Very high89.4Confident36 Ų3660.8 Ų60.819%0.18534%0.335CS..Hα-helixtrans-61.8-52.7175.5-67.1167.1000109.9P83 L84 Y89 I90 D91 L140 Y142P83-I87 WeakPolarHBondContact O-CG1 3.42Å; P83-I87 PolarHBondContact O-N 3.41Å; P83-I87 VanDerWaalsContact O-N 3.14Å; L84-I87 PolarHBondContact O-N 3Å; I87-Y89 PolarHBondContact O-N 2.77Å; I87-Y89 VanDerWaalsContact O-N 3.17Å; I87-I90 PolarHBondContact O-N 2.83Å; I87-D91 VanDerWaalsContact O-CG 3.3Å; I87-D91 PolarHBondContact O-N 3.2Å; I87-L140 HydrophobicContact CG1-CD1 4.43Å; I87-Y142 HydrophobicContact CD1-CD1 4.27Å; I87-Y142 HydrophobicContact CD1-CD2 4.3Å; I87-Y142 HydrophobicContact CD1-CG 3.98Å; I87-Y142 HydrophobicContact CG1-CD1 3.92Å; I87-Y142 HydrophobicContact CG1-CD2 4.17Å; I87-Y142 HydrophobicContact CG1-CE1 4.03Å; I87-Y142 HydrophobicContact CG1-CE2 4.28Å; I87-Y142 HydrophobicContact CG1-CG 4Å; I87-Y142 HydrophobicContact CG2-CD2 3.96Å; I87-Y142 HydrophobicContact CG2-CE2 3.73Å
88S94.6Very high90.9Very high77 Ų7766.2 Ų66.254%0.53836%0.358SS..Hα-helixtrans-58.1-34.1179.8-176.90000112.5L84 D85 A92L84-S88 WeakPolarHBondContact O-CB 3.4Å; L84-S88 PolarHBondContact O-N 3.4Å; D85-S88 PolarHBondContact O-N 3.27Å; S88-A92 WeakPolarHBondContact O-CB 3.33Å; S88-A92 PolarHBondContact O-N 2.52Å
89Y94.8Very high92.3Very high46 Ų4660.3 Ų60.318%0.1833%0.332CS..Hα-helixtrans-70.3-40.3176.9-173.2-94.3000112.6I69 L72 M76 L80 D85 L86 I87 A92 A93 I167I69-Y89 HydrophobicContact CD1-CD1 4.27Å; I69-Y89 HydrophobicContact CD1-CE1 3.76Å; I69-Y89 HydrophobicContact CG2-CE1 4.38Å; L72-Y89 HydrophobicContact CD1-CE1 3.92Å; L72-Y89 HydrophobicContact CD2-CE1 4.5Å; L72-Y89 VanDerWaalsContact CD2-OH 3.22Å; L72-Y89 WeakPolarHBondContact CD2-OH 3.35Å; M76-Y89 HydrophobicContact CE-CD2 4.03Å; M76-Y89 HydrophobicContact CE-CE2 3.44Å; M76-Y89 VanDerWaalsContact CE-CE2 3.44Å; L80-Y89 HydrophobicContact CD1-CD1 4.15Å; L80-Y89 HydrophobicContact CD1-CD2 4.47Å; L80-Y89 HydrophobicContact CD1-CG 4.1Å; L80-Y89 HydrophobicContact CD2-CD2 4.16Å; L80-Y89 HydrophobicContact CD2-CG 3.89Å; D85-Y89 VanDerWaalsContact O-CB 3.29Å; D85-Y89 WeakPolarHBondContact O-CB 3.4Å; D85-Y89 PolarHBondContact O-N 2.89Å; L86-Y89 PolarHBondContact O-N 2.91Å; I87-Y89 PolarHBondContact O-N 2.77Å; I87-Y89 VanDerWaalsContact O-N 3.17Å; Y89-A92 PolarHBondContact O-N 2.76Å; Y89-A93 WeakPolarHBondContact O-CB 3.17Å; Y89-A93 PolarHBondContact O-N 2.74Å; Y89-I167 HydrophobicContact CD1-CD1 3.62Å; Y89-I167 HydrophobicContact CE1-CD1 3.83Å
90I95.9Very high93.3Very high0 Ų059.7 Ų59.70%033%0.329CS..Hα-helixtrans-65.3-44.3175.6-67164.4000109.9L86 I87 A92 A93 Q94 L99 Y142 A154 I167 V169L86-I90 HydrophobicContact CD1-CD1 4.3Å; L86-I90 HydrophobicContact CG-CD1 4.23Å; L86-I90 WeakPolarHBondContact O-CG1 3.3Å; L86-I90 PolarHBondContact O-N 2.87Å; L86-I90 VanDerWaalsContact O-N 3.1Å; I87-I90 PolarHBondContact O-N 2.83Å; I90-A92 VanDerWaalsContact C-N 3.34Å; I90-A92 PolarHBondContact O-N 3.39Å; I90-A93 CarbonylContact O-C 3.59Å; I90-A93 WeakPolarHBondContact O-CB 3.42Å; I90-A93 PolarHBondContact O-N 2.9Å; I90-A93 VanDerWaalsContact O-N 3.09Å; I90-Q94 WeakPolarHBondContact O-CG 3.4Å; I90-Q94 PolarHBondContact O-N 3.44Å; I90-L99 HydrophobicContact CG2-CD1 4.17Å; I90-Y142 HydrophobicContact CD1-CE1 4.47Å; I90-Y142 VanDerWaalsContact CG2-OH 3.31Å; I90-Y142 WeakPolarHBondContact CG2-OH 3.33Å; I90-A154 HydrophobicContact CD1-CB 3.44Å; I90-A154 VanDerWaalsContact CD1-CB 3.44Å; I90-I167 HydrophobicContact CD1-CG2 4Å; I90-I167 HydrophobicContact CG1-CG2 4.13Å; I90-V169 HydrophobicContact CD1-CG2 4.04Å; I90-V169 HydrophobicContact CG1-CG2 4.3Å; I90-V169 HydrophobicContact CG2-CG2 4.24Å
91D95.7Very high94Very high54 Ų5463.4 Ų63.429%0.28935%0.345SS..Hα-helixtrans-60.7-44.3178.4-62.8-10.6000111.1I87 A93 Q94 Q95I87-D91 VanDerWaalsContact O-CG 3.3Å; I87-D91 PolarHBondContact O-N 3.2Å; D91-A93 VanDerWaalsContact C-N 3.34Å; D91-A93 PolarHBondContact O-N 2.79Å; D91-Q94 PolarHBondContact O-N 2.98Å; D91-Q95 WeakPolarHBondContact O-CG 3.24Å; D91-Q95 PolarHBondContact O-N 3.42Å
92A95.6Very high94.7Very high38 Ų3863.5 Ų63.531%0.31435%0.353SS..Hα-helixtrans-62.3-40.8174.100000111.8S88 Y89 I90 Q94 Q95 D96S88-A92 WeakPolarHBondContact O-CB 3.33Å; S88-A92 PolarHBondContact O-N 2.52Å; Y89-A92 PolarHBondContact O-N 2.76Å; I90-A92 VanDerWaalsContact C-N 3.34Å; I90-A92 PolarHBondContact O-N 3.39Å; A92-Q94 VanDerWaalsContact C-N 3.31Å; A92-Q94 PolarHBondContact O-N 3.28Å; A92-Q95 PolarHBondContact O-N 3.12Å; A92-D96 WeakPolarHBondContact O-CB 3.49Å; A92-D96 VanDerWaalsContact O-CG 3.26Å; A92-D96 PolarHBondContact O-N 3.01Å
93A96.2Very high95Very high3 Ų358.4 Ų58.43%0.02533%0.329CS..Hα-helixtrans-65.5-32.8176.600000112.9I69 Y89 I90 D91 G97 K98 L99I69-A93 HydrophobicContact CD1-CB 3.5Å; Y89-A93 WeakPolarHBondContact O-CB 3.17Å; Y89-A93 PolarHBondContact O-N 2.74Å; I90-A93 CarbonylContact O-C 3.59Å; I90-A93 WeakPolarHBondContact O-CB 3.42Å; I90-A93 PolarHBondContact O-N 2.9Å; I90-A93 VanDerWaalsContact O-N 3.09Å; D91-A93 VanDerWaalsContact C-N 3.34Å; D91-A93 PolarHBondContact O-N 2.79Å; A93-G97 PolarHBondContact O-N 3.31Å; A93-K98 HydrophobicContact CB-CB 4.25Å; A93-K98 HydrophobicContact CB-CD 4.48Å; A93-K98 WeakPolarHBondContact O-CB 3.27Å; A93-K98 PolarHBondContact O-N 2.95Å; A93-L99 HydrophobicContact CB-CD1 4.29Å; A93-L99 HydrophobicContact CB-CG 4.48Å; A93-L99 PolarHBondContact O-N 2.95Å
94Q96.5Very high95Very high8 Ų858.6 Ų58.64%0.03734%0.34CS..Hα-helixtrans-70.4-42.1172.8-70.2178.3-45.300111.9I90 D91 A92 D96 G97 L99 P100 F101I90-Q94 WeakPolarHBondContact O-CG 3.4Å; I90-Q94 PolarHBondContact O-N 3.44Å; D91-Q94 PolarHBondContact O-N 2.98Å; A92-Q94 VanDerWaalsContact C-N 3.31Å; A92-Q94 PolarHBondContact O-N 3.28Å; Q94-D96 VanDerWaalsContact C-N 3.31Å; Q94-D96 PolarHBondContact O-N 2.99Å; Q94-G97 PolarHBondContact O-N 3.07Å; Q94-L99 WeakPolarHBondContact CA-O 3.31Å; Q94-L99 HydrophobicContact CG-CB 3.8Å; Q94-P100 PolarHBondContact NE2-O 3.27Å; Q94-P100 VanDerWaalsContact NE2-O 3.07Å; Q94-F101 HydrophobicContact CB-CD1 3.94Å; Q94-F101 HydrophobicContact CB-CD2 4.39Å; Q94-F101 HydrophobicContact CB-CE1 3.59Å; Q94-F101 HydrophobicContact CB-CE2 4.07Å; Q94-F101 HydrophobicContact CB-CG 4.33Å; Q94-F101 HydrophobicContact CB-CZ 3.67Å; Q94-F101 HydrophobicContact CG-CD1 4.47Å; Q94-F101 WeakPolarHBondContact O-CE2 3.39Å
95Q96.2Very high95Very high150 Ų15059.1 Ų59.170%0.70134%0.344SS*.Hα-helixtrans-62.3-38.5174.6-69.7172.818.100112.4D91 A92 G97 F101D91-Q95 WeakPolarHBondContact O-CG 3.24Å; D91-Q95 PolarHBondContact O-N 3.42Å; A92-Q95 PolarHBondContact O-N 3.12Å; Q95-G97 PolarHBondContact O-N 3.38Å; Q95-F101 HydrophobicContact CG-CZ 4.19Å
96D96.2Very high95Very high106 Ų10662.1 Ų62.157%0.56736%0.355SS*.THydrogen-bonded Turntrans-72.1-8175.2-75.1-8.9000113.3A92 Q94 K98A92-D96 WeakPolarHBondContact O-CB 3.49Å; A92-D96 VanDerWaalsContact O-CG 3.26Å; A92-D96 PolarHBondContact O-N 3.01Å; Q94-D96 VanDerWaalsContact C-N 3.31Å; Q94-D96 PolarHBondContact O-N 2.99Å; D96-K98 VanDerWaalsContact C-N 3.29Å; D96-K98 HydrophobicContact CB-CD 4.24Å; D96-K98 HydrophobicContact CB-CG 4.17Å; D96-K98 PolarHBondContact O-N 3.33Å; D96-K98 IonicContact OD2-NZ 2.77Å; D96-K98 PolarHBondContact OD2-NZ 2.83Å
97G94.6Very high95.1Very high63 Ų6365.8 Ų65.865%0.64937%0.372SS*.THydrogen-bonded Turntrans73.314.7-176.400000114.9A93 Q94 Q95A93-G97 PolarHBondContact O-N 3.31Å; Q94-G97 PolarHBondContact O-N 3.07Å; Q95-G97 PolarHBondContact O-N 3.38Å
98K95.4Very high95.2Very high126 Ų12664.9 Ų64.955%0.54837%0.368SS..SBendtrans-75.3-28.7173.6-64.5170-176.91420111.9A93 D96A93-K98 HydrophobicContact CB-CB 4.25Å; A93-K98 HydrophobicContact CB-CD 4.48Å; A93-K98 WeakPolarHBondContact O-CB 3.27Å; A93-K98 PolarHBondContact O-N 2.95Å; D96-K98 VanDerWaalsContact C-N 3.29Å; D96-K98 HydrophobicContact CB-CD 4.24Å; D96-K98 HydrophobicContact CB-CG 4.17Å; D96-K98 PolarHBondContact O-N 3.33Å; D96-K98 IonicContact OD2-NZ 2.77Å; D96-K98 PolarHBondContact OD2-NZ 2.83Å
99L96.7Very high95.3Very high5 Ų561.7 Ų61.73%0.02635%0.345CS..SBendtrans-126144.2172.3-71176.4000109.5I69 I90 A93 Q94 V169I69-L99 HydrophobicContact CD1-CD1 3.73Å; I69-L99 HydrophobicContact CD1-CG 4.18Å; I69-L99 HydrophobicContact CG1-CD1 3.96Å; I69-L99 HydrophobicContact CG1-CD2 4.29Å; I69-L99 HydrophobicContact CG1-CG 4.07Å; I90-L99 HydrophobicContact CG2-CD1 4.17Å; A93-L99 HydrophobicContact CB-CD1 4.29Å; A93-L99 HydrophobicContact CB-CG 4.48Å; A93-L99 PolarHBondContact O-N 2.95Å; Q94-L99 WeakPolarHBondContact CA-O 3.31Å; Q94-L99 HydrophobicContact CG-CB 3.8Å; L99-V169 HydrophobicContact CD1-CG2 4.05Å
100P96.4Very high95.5Very high61 Ų6159.5 Ų59.540%0.39634%0.336SS..  trans-72.3150.8171.331.1-33.7000111V66 Q94V66-P100 HydrophobicContact CG1-CG 4.06Å; V66-P100 VanDerWaalsContact CG1-O 3.31Å; V66-P100 WeakPolarHBondContact CG1-O 3.28Å; V66-P100 VanDerWaalsContact O-CD 3.24Å; V66-P100 WeakPolarHBondContact O-CD 3.5Å; V66-P100 WeakPolarHBondContact O-CG 3.43Å; Q94-P100 PolarHBondContact NE2-O 3.27Å; Q94-P100 VanDerWaalsContact NE2-O 3.07Å
101F93.7Very high95.5Very high86 Ų8659.6 Ų59.638%0.37734%0.337SS..SBendtrans-71.1-35170.1-76.4-80000112.2Q94 Q95 L146Q94-F101 HydrophobicContact CB-CD1 3.94Å; Q94-F101 HydrophobicContact CB-CD2 4.39Å; Q94-F101 HydrophobicContact CB-CE1 3.59Å; Q94-F101 HydrophobicContact CB-CE2 4.07Å; Q94-F101 HydrophobicContact CB-CG 4.33Å; Q94-F101 HydrophobicContact CB-CZ 3.67Å; Q94-F101 HydrophobicContact CG-CD1 4.47Å; Q94-F101 WeakPolarHBondContact O-CE2 3.39Å; Q95-F101 HydrophobicContact CG-CZ 4.19Å; F101-L146 HydrophobicContact CB-CD1 4.1Å; F101-L146 HydrophobicContact CD1-CD1 4.25Å; F101-L146 HydrophobicContact CD1-CD2 4.13Å
102V93.7Very high95.6Very high103 Ų10357 Ų5762%0.62432%0.323SS*.SBendtrans-122.5124.3-177.8-176.40000108.3
103P95Very high95.6Very high8 Ų856.2 Ų56.25%0.05232%0.315CS..  trans-67.5165.4176.629.5-35000111.6K64 Y65 V66 Q171K64-P103 HydrophobicContact CB-CB 3.99Å; K64-P103 HydrophobicContact CB-CG 3.85Å; K64-P103 HydrophobicContact CD-CG 4.19Å; Y65-P103 VanDerWaalsContact O-CB 3.25Å; Y65-P103 WeakPolarHBondContact O-CB 3.43Å; V66-P103 HydrophobicContact CG2-CB 3.93Å; V66-P103 HydrophobicContact CG2-CG 4.13Å; P103-Q171 HydrophobicContact CG-CB 3.88Å; P103-Q171 HydrophobicContact CG-CG 4.4Å
104G92.8Very high95.4Very high51 Ų5160.8 Ų60.853%0.52634%0.335SS..  trans-63.5175.4169.500000113.2K64 E106K64-G104 WeakPolarHBondContact CD-O 3.48Å; G104-E106 VanDerWaalsContact C-N 3.31Å
105D92.4Very high95.3Very high145 Ų14567 Ų6778%0.77536%0.363SS*.SBendtrans-80.4-12.5-179.6-77.1-36.2000114.8K64 E107K64-D105 IonicContact NZ-OD1 2.98Å; K64-D105 PolarHBondContact NZ-OD1 3.42Å; D105-E107 PolarHBondContact O-N 2.94Å
106E93.4Very high95.3Very high135 Ų13560 Ų6063%0.63133%0.331SS*.  trans-67.2123.6179.2-168.8175.3178.800111.6G104G104-E106 VanDerWaalsContact C-N 3.31Å
107E96.3Very high95.4Very high80 Ų8055.1 Ų55.137%0.37431%0.306SS..EExtended strand (participates in β ladder)trans-86.5154.7171-64.9-168.7154.500110.9R62 V63 K64 D105 V122R62-E107 IonicContact NH1-OE2 3.13Å; R62-E107 PolarHBondContact NH1-OE2 3.12Å; R62-E107 VanDerWaalsContact NH1-OE2 3.13Å; V63-E107 CarbonylContact O-C 3.53Å; V63-E107 WeakPolarHBondContact O-CA 3.37Å; K64-E107 HydrophobicContact CG-CG 4.48Å; D105-E107 PolarHBondContact O-N 2.94Å; E107-V122 HydrophobicContact CB-CG2 3.96Å; E107-V122 WeakPolarHBondContact O-CG2 3.49Å
108M96.7Very high95.5Very high18 Ų1855 Ų559%0.08929%0.287CS..EExtended strand (participates in β ladder)trans-133.5156.8175.1-63.2-174.7169.400109.7R62 V63 Y65 V119 A120 L128R62-M108 WeakPolarHBondContact CA-O 3.47Å; V63-M108 PolarHBondContact N-O 2.95Å; V63-M108 PolarHBondContact O-N 2.85Å; Y65-M108 HydrophobicContact CG-SD 4.29Å; M108-V119 HydrophobicContact CB-CG1 3.97Å; M108-V119 HydrophobicContact SD-CG1 3.82Å; M108-A120 WeakPolarHBondContact CA-O 3.32Å; M108-A120 WeakPolarHBondContact CB-O 3.35Å; M108-L128 HydrophobicContact CE-CD1 3.2Å; M108-L128 HydrophobicContact CG-CD1 4.26Å; M108-L128 HydrophobicContact SD-CD1 3.42Å; M108-L128 WeakPolarHBondContact SD-CD1 3.41Å
109V97.8Very high95.6Very high9 Ų949 Ų496%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-96.8112174178.10000108.9E60 V119 A120E60-V109 HydrophobicContact CB-CG1 3.95Å; E60-V109 HydrophobicContact CG-CG1 4.17Å; V109-V119 WeakPolarHBondContact O-CA 3.19Å; V109-A120 PolarHBondContact N-O 3.15Å; V109-A120 PolarHBondContact O-N 3.28Å
110L97.9Very high95.6Very high1 Ų148.9 Ų48.91%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-95.5107.3171.3-171.8158000108.8F61 V63 V112 V117 K118 V119 L153 Y170 I181F61-L110 HydrophobicContact CD2-CD2 4.49Å; F61-L110 PolarHBondContact N-O 3.49Å; F61-L110 PolarHBondContact O-N 2.6Å; V63-L110 HydrophobicContact CG1-CB 4.3Å; V63-L110 HydrophobicContact CG2-CB 3.72Å; V63-L110 HydrophobicContact CG2-CD1 4.14Å; L110-V112 HydrophobicContact CD2-CG2 3.45Å; L110-V112 VanDerWaalsContact CD2-CG2 3.45Å; L110-V117 HydrophobicContact CD1-CG1 4.22Å; L110-V117 HydrophobicContact CD2-CG1 3.79Å; L110-V117 HydrophobicContact CG-CG1 3.76Å; L110-K118 CarbonylContact C-O 3.58Å; L110-K118 WeakPolarHBondContact CA-O 3.36Å; L110-V119 HydrophobicContact CG-CG2 4.3Å; L110-L153 HydrophobicContact CD1-CD2 3.98Å; L110-Y170 HydrophobicContact CD1-CD1 4.47Å; L110-Y170 HydrophobicContact CD1-CD2 4.21Å; L110-Y170 HydrophobicContact CD1-CE2 4.42Å; L110-Y170 HydrophobicContact CD1-CG 4.24Å; L110-I181 HydrophobicContact CD2-CG2 4.13Å
111G97Very high95.6Very high2 Ų246.6 Ų46.62%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-95.2128.6174.400000111.6A59 V117 K118A59-G111 CarbonylContact O-C 3.53Å; A59-G111 WeakPolarHBondContact O-CA 3.32Å; G111-V117 CarbonylContact O-C 3.56Å; G111-V117 WeakPolarHBondContact O-CA 3.36Å; G111-K118 PolarHBondContact N-O 2.89Å; G111-K118 PolarHBondContact O-N 2.83Å
112V97.6Very high95.7Very high0 Ų045.3 Ų45.30%025%0.245CC..EExtended strand (participates in β ladder)trans-112.5130174.2-170.70000109.4A59 F61 L110 V117 I181 V184 L185A59-V112 PolarHBondContact N-O 2.83Å; A59-V112 PolarHBondContact O-N 2.76Å; F61-V112 HydrophobicContact CD2-CG2 4.4Å; F61-V112 HydrophobicContact CE2-CG2 4.21Å; L110-V112 HydrophobicContact CD2-CG2 3.45Å; L110-V112 VanDerWaalsContact CD2-CG2 3.45Å; V112-V117 HydrophobicContact CG2-CG2 4.41Å; V112-I181 HydrophobicContact CG2-CG2 4.11Å; V112-V184 HydrophobicContact CB-CG1 3.89Å; V112-V184 HydrophobicContact CG1-CB 4.37Å; V112-V184 HydrophobicContact CG1-CG1 3.8Å; V112-L185 HydrophobicContact CG1-CB 4Å; V112-L185 HydrophobicContact CG1-CD1 3.99Å
113S94.9Very high95.6Very high20 Ų2045.5 Ų45.514%0.1424%0.243CC..EExtended strand (participates in β ladder)trans-151.1178.9177.471.80000111.4H115 G116S113-H115 PolarHBondContact O-N 3.4Å; S113-H115 PolarHBondContact OG-N 3.06Å; S113-G116 PolarHBondContact N-O 2.76Å; S113-G116 PolarHBondContact O-N 3.19Å
114K93Very high95.3Very high100 Ų10049.7 Ų49.744%0.43526%0.262SS..THydrogen-bonded Turntrans-54.6-19.5170.971-175.3-179.7-167.60114.6S55 L133S55-K114 PolarHBondContact O-NZ 3.18Å; K114-L133 WeakPolarHBondContact O-CD2 3.4Å
115H93.8Very high95.1Very high138 Ų13851.5 Ų51.564%0.63927%0.265SS*.THydrogen-bonded Turntrans-85.9-14.5177.6-55.9104.1000113.1S113 L133S113-H115 PolarHBondContact O-N 3.4Å; S113-H115 PolarHBondContact OG-N 3.06Å; H115-L133 PolarHBondContact O-N 3.33Å
116G96Very high95.2Very high3 Ų349.8 Ų49.83%0.03126%0.256CS..EExtended strand (participates in β ladder)trans123.5-148.7-176.200000112.3S113 H131S113-G116 PolarHBondContact N-O 2.76Å; S113-G116 PolarHBondContact O-N 3.19Å; G116-H131 WeakPolarHBondContact CA-O 3.37Å
117V97.9Very high95.3Very high4 Ų446.5 Ų46.52%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-110.7126.9-178.3-179.40000109.9L110 G111 V112 V119 H131 I136 L155 L185L110-V117 HydrophobicContact CD1-CG1 4.22Å; L110-V117 HydrophobicContact CD2-CG1 3.79Å; L110-V117 HydrophobicContact CG-CG1 3.76Å; G111-V117 CarbonylContact O-C 3.56Å; G111-V117 WeakPolarHBondContact O-CA 3.36Å; V112-V117 HydrophobicContact CG2-CG2 4.41Å; V117-V119 HydrophobicContact CG1-CG2 4.39Å; V117-H131 HydrophobicContact CB-CB 4.23Å; V117-H131 PolarHBondContact N-O 2.86Å; V117-H131 PolarHBondContact O-N 3.15Å; V117-I136 HydrophobicContact CB-CD1 4.41Å; V117-I136 HydrophobicContact CG2-CD1 3.82Å; V117-L155 HydrophobicContact CB-CD2 4.49Å; V117-L185 HydrophobicContact CG2-CD1 4.17Å
118K97.6Very high95.3Very high60 Ų6046.5 Ų46.526%0.26125%0.247SC..EExtended strand (participates in β ladder)trans-112.4132.4174.2-178.3-173.366.7169.70108.4L110 G111 V127 H129 R130L110-K118 CarbonylContact C-O 3.58Å; L110-K118 WeakPolarHBondContact CA-O 3.36Å; G111-K118 PolarHBondContact N-O 2.89Å; G111-K118 PolarHBondContact O-N 2.83Å; K118-V127 HydrophobicContact CD-CG1 4.47Å; K118-V127 HydrophobicContact CD-CG2 4.46Å; K118-V127 HydrophobicContact CG-CG1 4.02Å; K118-H129 WeakPolarHBondContact CA-O 3.23Å; K118-R130 HydrophobicContact CG-CG 4.33Å
119V97.5Very high95.2Very high0 Ų047.8 Ų47.80%025%0.253CS..EExtended strand (participates in β ladder)trans-117.7126.8172.3-1730000108.4M108 V109 L110 V117 L128 H129 Y170M108-V119 HydrophobicContact CB-CG1 3.97Å; M108-V119 HydrophobicContact SD-CG1 3.82Å; V109-V119 WeakPolarHBondContact O-CA 3.19Å; L110-V119 HydrophobicContact CG-CG2 4.3Å; V117-V119 HydrophobicContact CG1-CG2 4.39Å; V119-L128 PolarHBondContact O-N 3.33Å; V119-H129 HydrophobicContact CB-CB 4.23Å; V119-H129 HydrophobicContact CG2-CB 4.49Å; V119-H129 PolarHBondContact N-O 3.15Å; V119-H129 PolarHBondContact O-N 2.97Å; V119-H129 VanDerWaalsContact O-N 3.12Å; V119-Y170 HydrophobicContact CG1-CE1 4.23Å; V119-Y170 HydrophobicContact CG2-CE1 3.89Å
120A97.1Very high95.2Very high2 Ų256.1 Ų56.12%0.01728%0.283CS..EExtended strand (participates in β ladder)trans-136.6163.5-179.200000111.1M108 V109 D126 V127M108-A120 WeakPolarHBondContact CA-O 3.32Å; M108-A120 WeakPolarHBondContact CB-O 3.35Å; V109-A120 PolarHBondContact N-O 3.15Å; V109-A120 PolarHBondContact O-N 3.28Å; A120-D126 CarbonylContact C-O 3.51Å; A120-D126 WeakPolarHBondContact CA-O 3.12Å; A120-D126 WeakPolarHBondContact CB-O 3.23Å; A120-V127 HydrophobicContact CB-CG2 4.41Å
121S95.8Very high95.1Very high14 Ų1456.6 Ų56.610%0.09829%0.286CS..EExtended strand (participates in β ladder)trans-57.4160.1167.4580000111.5D123 Q124 C125 D126S121-D123 VanDerWaalsContact C-N 3.27Å; S121-D123 VanDerWaalsContact CB-OD1 3.24Å; S121-D123 WeakPolarHBondContact CB-OD1 3.49Å; S121-D123 PolarHBondContact O-N 2.82Å; S121-D123 PolarHBondContact OG-OD1 2.97Å; S121-Q124 WeakPolarHBondContact O-CA 3.3Å; S121-Q124 PolarHBondContact O-N 3.03Å; S121-C125 PolarHBondContact OG-N 3.11Å; S121-D126 PolarHBondContact N-O 3.48Å; S121-D126 PolarHBondContact OG-N 2.89Å; S121-D126 PolarHBondContact OG-O 3.43Å
122V94.6Very high95.1Very high58 Ų5858.5 Ų58.535%0.35230%0.297SS..THydrogen-bonded Turntrans-61.5-35.5-178.31800000112.9R62 E107 Q124R62-V122 VanDerWaalsContact NH1-CG1 3.32Å; E107-V122 HydrophobicContact CB-CG2 3.96Å; E107-V122 WeakPolarHBondContact O-CG2 3.49Å; V122-Q124 PolarHBondContact O-N 3.13Å
123D93.1Very high95Very high107 Ų10759.2 Ų59.257%0.57230%0.301SS*.THydrogen-bonded Turntrans-76.7-417666.3-6.7000113.1S121 C125S121-D123 VanDerWaalsContact C-N 3.27Å; S121-D123 VanDerWaalsContact CB-OD1 3.24Å; S121-D123 WeakPolarHBondContact CB-OD1 3.49Å; S121-D123 PolarHBondContact O-N 2.82Å; S121-D123 PolarHBondContact OG-OD1 2.97Å; D123-C125 PolarHBondContact O-N 2.94Å; D123-C125 VanDerWaalsContact O-N 3.16Å; D123-C125 WeakPolarHBondContact OD1-CB 3.48Å; D123-C125 PolarHBondContact OD1-N 3.31Å; D123-C125 VanDerWaalsContact OD1-N 3.1Å; D123-C125 PolarHBondContact OD2-SG 3.4Å
124Q87.8Confident95Very high97 Ų9766.4 Ų66.445%0.45333%0.326SS..SBendtrans58.816-176.8-48.2-167.614.700114.6E60 S121 V122E60-Q124 PolarHBondContact OE2-NE2 2.83Å; S121-Q124 WeakPolarHBondContact O-CA 3.3Å; S121-Q124 PolarHBondContact O-N 3.03Å; V122-Q124 PolarHBondContact O-N 3.13Å
125C89.1Confident95.1Very high89 Ų8963 Ų6360%0.60131%0.313SS*.  trans-73.5-40.9176.8-65.70000111.3S121 D123S121-C125 PolarHBondContact OG-N 3.11Å; D123-C125 PolarHBondContact O-N 2.94Å; D123-C125 VanDerWaalsContact O-N 3.16Å; D123-C125 WeakPolarHBondContact OD1-CB 3.48Å; D123-C125 PolarHBondContact OD1-N 3.31Å; D123-C125 VanDerWaalsContact OD1-N 3.1Å; D123-C125 PolarHBondContact OD2-SG 3.4Å
126D94.1Very high95.2Very high108 Ų10857 Ų5758%0.57829%0.285SS*.  trans-112.9118-173.9-68.1-33.6000111.3A120 S121A120-D126 CarbonylContact C-O 3.51Å; A120-D126 WeakPolarHBondContact CA-O 3.12Å; A120-D126 WeakPolarHBondContact CB-O 3.23Å; S121-D126 PolarHBondContact N-O 3.48Å; S121-D126 PolarHBondContact OG-N 2.89Å; S121-D126 PolarHBondContact OG-O 3.43Å
127V96.1Very high95.1Very high67 Ų6760.1 Ų60.141%0.40630%0.304SS..EExtended strand (participates in β ladder)trans-89.8110.9171.9-178.80000108.9K118 A120 R130K118-V127 HydrophobicContact CD-CG1 4.47Å; K118-V127 HydrophobicContact CD-CG2 4.46Å; K118-V127 HydrophobicContact CG-CG1 4.02Å; A120-V127 HydrophobicContact CB-CG2 4.41Å; V127-R130 HydrophobicContact CG1-CG 3.84Å
128L94.9Very high94.9Very high80 Ų8064.1 Ų64.142%0.41932%0.319SS..EExtended strand (participates in β ladder)trans-80.7-47.9-177-63.2164.7000111.2M108 V119M108-L128 HydrophobicContact CE-CD1 3.2Å; M108-L128 HydrophobicContact CG-CD1 4.26Å; M108-L128 HydrophobicContact SD-CD1 3.42Å; M108-L128 WeakPolarHBondContact SD-CD1 3.41Å; V119-L128 PolarHBondContact O-N 3.33Å
129H95.6Very high94.8Very high45 Ų4562.5 Ų62.521%0.20831%0.312CS..EExtended strand (participates in β ladder)trans-138.9144.2-176.7-55.2-58.3000112K118 V119 H131 W168K118-H129 WeakPolarHBondContact CA-O 3.23Å; V119-H129 HydrophobicContact CB-CB 4.23Å; V119-H129 HydrophobicContact CG2-CB 4.49Å; V119-H129 PolarHBondContact N-O 3.15Å; V119-H129 PolarHBondContact O-N 2.97Å; V119-H129 VanDerWaalsContact O-N 3.12Å; H129-H131 WeakPolarHBondContact CB-NE2 3.44Å; H129-W168 AromaticContact CE1-CZ3 3.39Å; H129-W168 WeakPolarHBondContact CE1-CZ3 3.28Å; H129-W168 AromaticContact ND1-CH2 3.97Å; H129-W168 AromaticContact ND1-CZ3 3.65Å; H129-W168 AromaticContact NE2-CZ3 3.71Å
130R96.7Very high94.8Very high183 Ų18363.8 Ų63.869%0.69132%0.319SS*.EExtended strand (participates in β ladder)trans-128.6118.3164.8-70.6-174.3177.5-153.31.1107.8K118 V127 P132K118-R130 HydrophobicContact CG-CG 4.33Å; V127-R130 HydrophobicContact CG1-CG 3.84Å; R130-P132 WeakPolarHBondContact O-CD 3.22Å
131H97.2Very high94.7Very high12 Ų1265.9 Ų65.96%0.05633%0.333CS..EExtended strand (participates in β ladder)trans-107.596.1176.6-54.1-58.2000107.8G116 V117 H129 I136 L155 T157 W168 Y170G116-H131 WeakPolarHBondContact CA-O 3.37Å; V117-H131 HydrophobicContact CB-CB 4.23Å; V117-H131 PolarHBondContact N-O 2.86Å; V117-H131 PolarHBondContact O-N 3.15Å; H129-H131 WeakPolarHBondContact CB-NE2 3.44Å; H131-I136 HydrophobicContact CB-CD1 4.3Å; H131-I136 HydrophobicContact CB-CG1 4.24Å; H131-L155 HydrophobicContact CB-CD2 4.01Å; H131-L155 VanDerWaalsContact CD2-CD2 3.47Å; H131-L155 WeakPolarHBondContact CD2-CD2 3.47Å; H131-T157 HydrophobicContact CB-CG2 4.2Å; H131-W168 AromaticContact CE1-CD1 3.76Å; H131-W168 AromaticContact CE1-CD2 3.49Å; H131-W168 VanDerWaalsContact CE1-CD2 3.49Å; H131-W168 AromaticContact CE1-CE2 3.29Å; H131-W168 AromaticContact CE1-CG 3.83Å; H131-W168 AromaticContact CE1-CZ2 3.73Å; H131-W168 AromaticContact CE1-NE1 3.42Å; H131-W168 PolarHBondContact CE1-NE1 2.93Å; H131-W168 AromaticContact ND1-CE2 3.97Å; H131-W168 AromaticContact ND1-NE1 3.74Å; H131-W168 AromaticContact NE2-CD2 3.94Å; H131-Y170 PolarHBondContact NE2-OH 2.86Å
132P96.6Very high94.7Very high41 Ų4166.5 Ų66.527%0.26633%0.333SS..EExtended strand (participates in β ladder)trans-59.4141.8-179.6-22.333.6000111.4R130 Y134 L135 I136R130-P132 WeakPolarHBondContact O-CD 3.22Å; P132-Y134 HydrophobicContact CB-CD1 3.62Å; P132-Y134 HydrophobicContact CB-CE1 3.3Å; P132-Y134 HydrophobicContact CG-CE1 4.08Å; P132-Y134 PolarHBondContact O-N 2.92Å; P132-Y134 VanDerWaalsContact O-N 3.11Å; P132-L135 HydrophobicContact CB-CG 4.48Å; P132-L135 HydrophobicContact CG-CD1 4.11Å; P132-L135 PolarHBondContact O-N 2.76Å; P132-I136 PolarHBondContact O-N 2.96Å
133L95.7Very high94.8Very high15 Ų1567.6 Ų67.68%0.07934%0.337CS..G310 helixtrans-53.7-39-174.6-167.666.2000112.7K114 H115 L135 I136 L185 F189 A192K114-L133 WeakPolarHBondContact O-CD2 3.4Å; H115-L133 PolarHBondContact O-N 3.33Å; L133-L135 VanDerWaalsContact C-N 3.28Å; L133-L135 PolarHBondContact O-N 2.81Å; L133-I136 PolarHBondContact O-N 3.09Å; L133-L185 HydrophobicContact CD1-CD1 3.64Å; L133-F189 HydrophobicContact CD1-CD1 3.81Å; L133-F189 HydrophobicContact CD1-CD2 4.29Å; L133-F189 HydrophobicContact CD1-CE1 3.55Å; L133-F189 HydrophobicContact CD1-CE2 4.06Å; L133-F189 HydrophobicContact CD1-CG 4.18Å; L133-F189 HydrophobicContact CD1-CZ 3.69Å; L133-F189 HydrophobicContact CD2-CD1 4.16Å; L133-F189 HydrophobicContact CD2-CE1 4.46Å; L133-F189 HydrophobicContact CG-CD1 3.81Å; L133-F189 HydrophobicContact CG-CE1 3.62Å; L133-F189 HydrophobicContact CG-CZ 4.25Å; L133-F189 WeakPolarHBondContact O-CE1 3.33Å; L133-A192 HydrophobicContact CD2-CB 3.93Å
134Y94.6Very high94.8Very high171 Ų17163.5 Ų63.567%0.67132%0.315SS*.G310 helixtrans-72.7-13.2-178.773.5-87.9000114.9P132P132-Y134 HydrophobicContact CB-CD1 3.62Å; P132-Y134 HydrophobicContact CB-CE1 3.3Å; P132-Y134 HydrophobicContact CG-CE1 4.08Å; P132-Y134 PolarHBondContact O-N 2.92Å; P132-Y134 VanDerWaalsContact O-N 3.11Å
135L95.4Very high95Very high29 Ų2961.9 Ų61.915%0.15233%0.325CS..G310 helixtrans-98.9-10.2175.9-66-176.2000112.6P132 L133 V137 T157 T158 T160P132-L135 HydrophobicContact CB-CG 4.48Å; P132-L135 HydrophobicContact CG-CD1 4.11Å; P132-L135 PolarHBondContact O-N 2.76Å; L133-L135 VanDerWaalsContact C-N 3.28Å; L133-L135 PolarHBondContact O-N 2.81Å; L135-V137 PolarHBondContact O-N 2.87Å; L135-T157 CarbonylContact O-C 3.55Å; L135-T157 VanDerWaalsContact O-CA 3.31Å; L135-T157 WeakPolarHBondContact O-CA 3.3Å; L135-T158 PolarHBondContact O-N 2.93Å; L135-T160 HydrophobicContact CD2-CG2 4.5Å
136I95.6Very high95.1Very high12 Ų1261.9 Ų61.96%0.06232%0.318CS..EExtended strand (participates in β ladder)trans-76.6118176.9-64.6171.3000108.3V117 H131 P132 L133 L155 T157 L185 F189V117-I136 HydrophobicContact CB-CD1 4.41Å; V117-I136 HydrophobicContact CG2-CD1 3.82Å; H131-I136 HydrophobicContact CB-CD1 4.3Å; H131-I136 HydrophobicContact CB-CG1 4.24Å; P132-I136 PolarHBondContact O-N 2.96Å; L133-I136 PolarHBondContact O-N 3.09Å; I136-L155 HydrophobicContact CD1-CD1 4.23Å; I136-L155 HydrophobicContact CG1-CD1 4.16Å; I136-L155 HydrophobicContact CG2-CD1 3.62Å; I136-T157 HydrophobicContact CG1-CG2 4.3Å; I136-L185 HydrophobicContact CD1-CD1 4.21Å; I136-L185 HydrophobicContact CG2-CD2 4.35Å; I136-F189 HydrophobicContact CB-CZ 4Å; I136-F189 HydrophobicContact CG2-CE2 4.39Å; I136-F189 HydrophobicContact CG2-CZ 3.94Å
137V93.6Very high94.9Very high69 Ų6960.5 Ų60.542%0.41833%0.329SS..EExtended strand (participates in β ladder)trans-84.3-43.6176.7179.20000110L135 K156 T158L135-V137 PolarHBondContact O-N 2.87Å; V137-K156 HydrophobicContact CB-CD 4.29Å; V137-K156 HydrophobicContact CB-CG 4.22Å; V137-K156 HydrophobicContact CG1-CD 4.16Å; V137-K156 PolarHBondContact N-O 3.02Å; V137-T158 HydrophobicContact CG2-CG2 3.71Å
138R94Very high94.5Very high88 Ų8860.6 Ų60.633%0.33234%0.337SS..EExtended strand (participates in β ladder)trans-163.8152.6-178.6-174.5171.5-66.2-167.50.2111.2Q81 L140 K156Q81-R138 PolarHBondContact O-NH1 3.01Å; Q81-R138 PolarHBondContact O-NH2 3.28Å; R138-L140 HydrophobicContact CG-CD2 4.06Å; R138-L140 HydrophobicContact CG-CG 4.16Å; R138-K156 PolarHBondContact N-O 3.39Å; R138-K156 PolarHBondContact O-N 3.4Å
139M96.7Very high94.2Very high26 Ų2658.7 Ų58.713%0.12834%0.337CS..EExtended strand (participates in β ladder)trans-124.7135.2163.1-168.6167.271.700109.5L153 A154 L155 I181 C182 L185M139-L153 HydrophobicContact CE-CD1 4.15Å; M139-L153 HydrophobicContact CG-CD1 3.67Å; M139-L153 HydrophobicContact CG-CD2 4.4Å; M139-L153 HydrophobicContact CG-CG 3.91Å; M139-L153 HydrophobicContact SD-CD1 3.81Å; M139-L153 HydrophobicContact SD-CD2 3.76Å; M139-L153 HydrophobicContact SD-CG 3.93Å; M139-A154 CarbonylContact C-O 3.53Å; M139-A154 WeakPolarHBondContact CA-O 3.25Å; M139-L155 HydrophobicContact CB-CD1 3.91Å; M139-L155 HydrophobicContact CG-CD1 4.09Å; M139-L155 HydrophobicContact SD-CD1 4.15Å; M139-I181 HydrophobicContact CE-CG2 3.67Å; M139-I181 HydrophobicContact SD-CG2 4.08Å; M139-C182 VanDerWaalsContact CE-CA 3.42Å; M139-C182 HydrophobicContact CE-CB 4.18Å; M139-L185 HydrophobicContact CB-CD2 3.7Å; M139-L185 HydrophobicContact CE-CB 3.61Å; M139-L185 HydrophobicContact CE-CD2 3.39Å; M139-L185 HydrophobicContact CE-CG 4.13Å; M139-L185 HydrophobicContact CG-CD2 4.33Å; M139-L185 HydrophobicContact SD-CD2 3.64Å
140L95.8Very high94.1Very high26 Ų2660.3 Ų60.314%0.13634%0.343CS..EExtended strand (participates in β ladder)trans-121.4141.6177.2-64.4179.3000109.6P83 L86 I87 R138 L153 A154P83-L140 HydrophobicContact CB-CD1 3.98Å; P83-L140 HydrophobicContact CB-CD2 3.96Å; P83-L140 WeakPolarHBondContact O-CD1 3.37Å; L86-L140 HydrophobicContact CB-CD1 4.03Å; L86-L140 HydrophobicContact CD2-CD1 3.74Å; L86-L140 HydrophobicContact CD2-CG 4.35Å; L86-L140 HydrophobicContact CG-CD1 4.18Å; I87-L140 HydrophobicContact CG1-CD1 4.43Å; R138-L140 HydrophobicContact CG-CD2 4.06Å; R138-L140 HydrophobicContact CG-CG 4.16Å; L140-L153 CarbonylContact O-C 3.53Å; L140-L153 VanDerWaalsContact O-CA 3.31Å; L140-L153 WeakPolarHBondContact O-CA 3.42Å; L140-A154 HydrophobicContact CB-CB 4.46Å; L140-A154 PolarHBondContact N-O 3.39Å; L140-A154 PolarHBondContact O-N 3.13Å
141C96Very high94.1Very high47 Ų4752.2 Ų52.232%0.31831%0.314SS..EExtended strand (participates in β ladder)trans-116.1131.1164.860.60000109.6L152 L153 A178C141-L152 VanDerWaalsContact CA-O 3.26Å; C141-L152 WeakPolarHBondContact CA-O 3.24Å; C141-L153 HydrophobicContact CB-CD1 4.18Å; C141-A178 HydrophobicContact CB-CB 3.86Å
142Y96.4Very high94.1Very high27 Ų2751.7 Ų51.711%0.10631%0.311CS..EExtended strand (participates in β ladder)trans-150160.4178.667.8-77.6000111.2I87 I90 N151 L152 A154I87-Y142 HydrophobicContact CD1-CD1 4.27Å; I87-Y142 HydrophobicContact CD1-CD2 4.3Å; I87-Y142 HydrophobicContact CD1-CG 3.98Å; I87-Y142 HydrophobicContact CG1-CD1 3.92Å; I87-Y142 HydrophobicContact CG1-CD2 4.17Å; I87-Y142 HydrophobicContact CG1-CE1 4.03Å; I87-Y142 HydrophobicContact CG1-CE2 4.28Å; I87-Y142 HydrophobicContact CG1-CG 4Å; I87-Y142 HydrophobicContact CG2-CD2 3.96Å; I87-Y142 HydrophobicContact CG2-CE2 3.73Å; I90-Y142 HydrophobicContact CD1-CE1 4.47Å; I90-Y142 VanDerWaalsContact CG2-OH 3.31Å; I90-Y142 WeakPolarHBondContact CG2-OH 3.33Å; Y142-N151 CarbonylContact O-C 3.52Å; Y142-N151 VanDerWaalsContact O-CA 3.31Å; Y142-N151 WeakPolarHBondContact O-CA 3.4Å; Y142-L152 HydrophobicContact CD1-CB 4.39Å; Y142-L152 HydrophobicContact CE1-CB 3.96Å; Y142-L152 HydrophobicContact CE2-CD1 4.26Å; Y142-L152 PolarHBondContact N-O 3.13Å; Y142-L152 PolarHBondContact O-N 3Å; Y142-A154 HydrophobicContact CE1-CB 4.2Å
143D95.7Very high94.1Very high81 Ų8149.8 Ų49.843%0.43330%0.299SS..EExtended strand (participates in β ladder)trans-74.6137.1174.7-169.1-70.9000109.8G145 K150D143-G145 PolarHBondContact O-N 2.8Å; D143-G145 PolarHBondContact OD1-N 3.28Å; D143-K150 WeakPolarHBondContact CA-O 3.33Å
144D93Very high94.2Very high21 Ų2149.1 Ų49.111%0.11230%0.295CS..  trans-67.7-12.6-177.873-5.9000114.1L146 K150 L152D144-L146 HydrophobicContact CB-CG 4.31Å; D144-L146 PolarHBondContact O-N 3.42Å; D144-L146 PolarHBondContact OD1-N 3.38Å; D144-K150 PolarHBondContact N-O 2.74Å; D144-K150 WeakPolarHBondContact OD2-CB 3.14Å; D144-L152 HydrophobicContact CB-CD1 3.99Å; D144-L152 HydrophobicContact CB-CG 3.96Å
145G92.2Very high94.4Very high63 Ų6341 Ų4165%0.64926%0.264SS*.SBendtrans71.17.9177.900000114.1D143 G147D143-G145 PolarHBondContact O-N 2.8Å; D143-G145 PolarHBondContact OD1-N 3.28Å; G145-G147 VanDerWaalsContact C-N 3.3Å
146L91.4Very high94.4Very high89 Ų8940 Ų4047%0.46626%0.258SS..SBendtrans-89.11.9-178.1-57-177.4000112.8F101 D144 A148F101-L146 HydrophobicContact CB-CD1 4.1Å; F101-L146 HydrophobicContact CD1-CD1 4.25Å; F101-L146 HydrophobicContact CD1-CD2 4.13Å; D144-L146 HydrophobicContact CB-CG 4.31Å; D144-L146 PolarHBondContact O-N 3.42Å; D144-L146 PolarHBondContact OD1-N 3.38Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.85Å
147G89.3Confident94.4Very high78 Ų7839.9 Ų39.980%0.80426%0.258SS*.SBendtrans84.3-717600000115G145 G149G145-G147 VanDerWaalsContact C-N 3.3Å; G147-G149 VanDerWaalsContact C-N 3.29Å
148A88.9Confident94.4Very high70 Ų7037.7 Ų37.758%0.57924%0.244SC*.SBendtrans-83.3-4.7174.600000113.4L146 K150L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.85Å; A148-K150 VanDerWaalsContact C-N 3.28Å; A148-K150 HydrophobicContact CB-CG 4.09Å; A148-K150 PolarHBondContact O-N 2.85Å
149G87.6Confident94.2Very high39 Ų3935.5 Ų35.540%0.40224%0.239SC..  trans65.928.3-179.300000113.2G147 N151G147-G149 VanDerWaalsContact C-N 3.29Å; G149-N151 PolarHBondContact O-ND2 2.84Å
150K93.7Very high93.8Very high80 Ų8039.5 Ų39.535%0.34827%0.266SS..  trans-81.3144.6176.9-59-59.4-177.1-176.20109.1D143 D144 A148 Q171D143-K150 WeakPolarHBondContact CA-O 3.33Å; D144-K150 PolarHBondContact N-O 2.74Å; D144-K150 WeakPolarHBondContact OD2-CB 3.14Å; A148-K150 VanDerWaalsContact C-N 3.28Å; A148-K150 HydrophobicContact CB-CG 4.09Å; A148-K150 PolarHBondContact O-N 2.85Å; K150-Q171 HydrophobicContact CB-CG 4.2Å
151N96.4Very high93.3Very high13 Ų1345.5 Ų45.57%0.0729%0.29CS..EExtended strand (participates in β ladder)trans-109.6125.9-178.4-76.2-117.4000108.5Y142 G149 C172 S175 A178Y142-N151 CarbonylContact O-C 3.52Å; Y142-N151 VanDerWaalsContact O-CA 3.31Å; Y142-N151 WeakPolarHBondContact O-CA 3.4Å; G149-N151 PolarHBondContact O-ND2 2.84Å; N151-C172 PolarHBondContact O-N 2.92Å; N151-S175 VanDerWaalsContact CG-CA 3.49Å; N151-S175 WeakPolarHBondContact ND2-CB 3.15Å; N151-S175 WeakPolarHBondContact OD1-CA 3.28Å; N151-S175 WeakPolarHBondContact OD1-CB 3.47Å; N151-S175 PolarHBondContact OD1-OG 3.04Å; N151-A178 HydrophobicContact CB-CB 3.95Å
152L97.3Very high92.6Very high1 Ų149.8 Ų49.81%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-91.9143.5173.3-62.1-178.6000110V66 C141 Y142 D144 V169 Y170 Q171V66-L152 HydrophobicContact CG2-CD2 4.06Å; C141-L152 VanDerWaalsContact CA-O 3.26Å; C141-L152 WeakPolarHBondContact CA-O 3.24Å; Y142-L152 HydrophobicContact CD1-CB 4.39Å; Y142-L152 HydrophobicContact CE1-CB 3.96Å; Y142-L152 HydrophobicContact CE2-CD1 4.26Å; Y142-L152 PolarHBondContact N-O 3.13Å; Y142-L152 PolarHBondContact O-N 3Å; D144-L152 HydrophobicContact CB-CD1 3.99Å; D144-L152 HydrophobicContact CB-CG 3.96Å; L152-V169 HydrophobicContact CB-CG1 4.4Å; L152-V169 HydrophobicContact CD1-CG1 4.37Å; L152-V169 HydrophobicContact CD2-CG1 4.33Å; L152-Y170 CarbonylContact C-O 3.56Å; L152-Y170 WeakPolarHBondContact CA-O 3.36Å; L152-Q171 HydrophobicContact CD2-CB 4.03Å; L152-Q171 HydrophobicContact CD2-CG 4.21Å
153L97.9Very high92.1Very high1 Ų153.9 Ų53.91%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-113.7109.6172.1-169.578.3000107.8L110 M139 L140 C141 V169 Y170 I181L110-L153 HydrophobicContact CD1-CD2 3.98Å; M139-L153 HydrophobicContact CE-CD1 4.15Å; M139-L153 HydrophobicContact CG-CD1 3.67Å; M139-L153 HydrophobicContact CG-CD2 4.4Å; M139-L153 HydrophobicContact CG-CG 3.91Å; M139-L153 HydrophobicContact SD-CD1 3.81Å; M139-L153 HydrophobicContact SD-CD2 3.76Å; M139-L153 HydrophobicContact SD-CG 3.93Å; L140-L153 CarbonylContact O-C 3.53Å; L140-L153 VanDerWaalsContact O-CA 3.31Å; L140-L153 WeakPolarHBondContact O-CA 3.42Å; C141-L153 HydrophobicContact CB-CD1 4.18Å; L153-V169 WeakPolarHBondContact O-CA 3.4Å; L153-Y170 HydrophobicContact CD2-CD2 4.42Å; L153-Y170 PolarHBondContact N-O 2.78Å; L153-Y170 PolarHBondContact O-N 2.96Å; L153-I181 HydrophobicContact CD1-CG2 4.32Å; L153-I181 HydrophobicContact CD2-CD1 4.42Å; L153-I181 HydrophobicContact CD2-CG2 3.72Å
154A97.6Very high91.8Very high0 Ų053.9 Ų53.90%032%0.323CS..EExtended strand (participates in β ladder)trans-101.3116.5177.200000109.9L86 I90 M139 L140 Y142 W168L86-A154 HydrophobicContact CD2-CB 4.49Å; I90-A154 HydrophobicContact CD1-CB 3.44Å; I90-A154 VanDerWaalsContact CD1-CB 3.44Å; M139-A154 CarbonylContact C-O 3.53Å; M139-A154 WeakPolarHBondContact CA-O 3.25Å; L140-A154 HydrophobicContact CB-CB 4.46Å; L140-A154 PolarHBondContact N-O 3.39Å; L140-A154 PolarHBondContact O-N 3.13Å; Y142-A154 HydrophobicContact CE1-CB 4.2Å; A154-W168 WeakPolarHBondContact CA-O 3.48Å
155L97.6Very high91.7Very high2 Ų253 Ų531%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-105.3114.2177.3-176.969.7000109.5V117 H131 I136 M139 T157 I167 W168 Y170V117-L155 HydrophobicContact CB-CD2 4.49Å; H131-L155 HydrophobicContact CB-CD2 4.01Å; H131-L155 VanDerWaalsContact CD2-CD2 3.47Å; H131-L155 WeakPolarHBondContact CD2-CD2 3.47Å; I136-L155 HydrophobicContact CD1-CD1 4.23Å; I136-L155 HydrophobicContact CG1-CD1 4.16Å; I136-L155 HydrophobicContact CG2-CD1 3.62Å; M139-L155 HydrophobicContact CB-CD1 3.91Å; M139-L155 HydrophobicContact CG-CD1 4.09Å; M139-L155 HydrophobicContact SD-CD1 4.15Å; L155-T157 HydrophobicContact CD2-CG2 4.15Å; L155-T157 HydrophobicContact CG-CG2 4.07Å; L155-I167 WeakPolarHBondContact O-CA 3.31Å; L155-W168 HydrophobicContact CB-CB 4.26Å; L155-W168 PolarHBondContact N-O 3.5Å; L155-W168 PolarHBondContact O-N 2.93Å; L155-Y170 HydrophobicContact CB-CE2 4.46Å
156K95.8Very high91.8Very high6 Ų650.9 Ų50.93%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-93.4122.2171.8-174.5-176.3179.9-174.90109.1S77 L80 L86 V137 R138S77-K156 PolarHBondContact O-NZ 3.48Å; L80-K156 PolarHBondContact O-NZ 3.38Å; L86-K156 HydrophobicContact CD2-CB 4.11Å; V137-K156 HydrophobicContact CB-CD 4.29Å; V137-K156 HydrophobicContact CB-CG 4.22Å; V137-K156 HydrophobicContact CG1-CD 4.16Å; V137-K156 PolarHBondContact N-O 3.02Å; R138-K156 PolarHBondContact N-O 3.39Å; R138-K156 PolarHBondContact O-N 3.4Å
157T95.2Very high92Very high11 Ų1146.6 Ų46.67%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-118158.9176.156.90000110.1H131 L135 I136 L155 C165 S166 W168H131-T157 HydrophobicContact CB-CG2 4.2Å; L135-T157 CarbonylContact O-C 3.55Å; L135-T157 VanDerWaalsContact O-CA 3.31Å; L135-T157 WeakPolarHBondContact O-CA 3.3Å; I136-T157 HydrophobicContact CG1-CG2 4.3Å; L155-T157 HydrophobicContact CD2-CG2 4.15Å; L155-T157 HydrophobicContact CG-CG2 4.07Å; T157-C165 CarbonylContact O-C 3.55Å; T157-C165 WeakPolarHBondContact O-CA 3.29Å; T157-C165 VanDerWaalsContact O-CB 3.32Å; T157-C165 WeakPolarHBondContact O-CB 3.41Å; T157-S166 PolarHBondContact N-O 3.4Å; T157-S166 PolarHBondContact O-N 3.37Å; T157-S166 PolarHBondContact OG1-O 3.32Å; T157-S166 VanDerWaalsContact OG1-O 3.12Å; T157-W168 PolarHBondContact OG1-NE1 3.13Å
158T93.3Very high92.4Very high22 Ų2243.8 Ų43.814%0.13524%0.237CC..EExtended strand (participates in β ladder)trans-127.9165.5174.7-164.50000111.1L135 V137 Q162 Q164L135-T158 PolarHBondContact O-N 2.93Å; V137-T158 HydrophobicContact CG2-CG2 3.71Å; T158-Q162 HydrophobicContact CG2-CG 4.19Å; T158-Q162 WeakPolarHBondContact OG1-CA 3.3Å; T158-Q164 VanDerWaalsContact CA-O 3.28Å; T158-Q164 WeakPolarHBondContact CA-O 3.37Å; T158-Q164 WeakPolarHBondContact CB-O 3.34Å; T158-Q164 PolarHBondContact OG1-O 2.86Å
159D90.9Very high92.9Very high42 Ų4240.4 Ų40.423%0.22521%0.209CC..  trans-83.7171173.776.2-47.1000111.6K161 Q162 Q163 Q164D159-K161 PolarHBondContact O-N 3.47Å; D159-K161 VanDerWaalsContact O-N 3.15Å; D159-K161 WeakPolarHBondContact OD2-CB 3.46Å; D159-K161 PolarHBondContact OD2-N 2.95Å; D159-Q162 PolarHBondContact O-N 2.94Å; D159-Q162 WeakPolarHBondContact OD1-CA 3.44Å; D159-Q162 PolarHBondContact OD1-N 3.29Å; D159-Q163 PolarHBondContact OD1-N 3.14Å; D159-Q164 PolarHBondContact N-O 3.15Å; D159-Q164 PolarHBondContact OD1-N 3.43Å
160T88.2Confident93.4Very high111 Ų11138.6 Ų38.668%0.68119%0.19SC*.THydrogen-bonded Turntrans-60.1-25.7-179.654.90000114L135L135-T160 HydrophobicContact CD2-CG2 4.5Å
161K85.9Confident93.6Very high151 Ų15135.8 Ų35.866%0.65718%0.178SC*.THydrogen-bonded Turntrans-92.3-3.4178.1-58178.9-178.5175.30113D159 Q163D159-K161 PolarHBondContact O-N 3.47Å; D159-K161 VanDerWaalsContact O-N 3.15Å; D159-K161 WeakPolarHBondContact OD2-CB 3.46Å; D159-K161 PolarHBondContact OD2-N 2.95Å; K161-Q163 HydrophobicContact CB-CB 4.45Å; K161-Q163 HydrophobicContact CB-CG 4.01Å; K161-Q163 PolarHBondContact O-N 3.22Å
162Q81.3Confident93.6Very high138 Ų13835.2 Ų35.265%0.64518%0.175SC*.SBendtrans5533.5-175.2-56-177.4-13.700113.4F74 T158 D159F74-Q162 VanDerWaalsContact CD2-O 3.31Å; F74-Q162 WeakPolarHBondContact CD2-O 3.36Å; F74-Q162 WeakPolarHBondContact CE2-O 3.18Å; T158-Q162 HydrophobicContact CG2-CG 4.19Å; T158-Q162 WeakPolarHBondContact OG1-CA 3.3Å; D159-Q162 PolarHBondContact O-N 2.94Å; D159-Q162 WeakPolarHBondContact OD1-CA 3.44Å; D159-Q162 PolarHBondContact OD1-N 3.29Å
163Q84.2Confident93.4Very high113 Ų11339.1 Ų39.153%0.52820%0.202SC..SBendtrans-104.9-20.2-179.6-68.7-171.6-8.800112.8F74 D159 K161F74-Q163 WeakPolarHBondContact CA-O 3.34Å; F74-Q163 WeakPolarHBondContact CB-O 3.44Å; F74-Q163 PolarHBondContact N-O 2.79Å; D159-Q163 PolarHBondContact OD1-N 3.14Å; K161-Q163 HydrophobicContact CB-CB 4.45Å; K161-Q163 HydrophobicContact CB-CG 4.01Å; K161-Q163 PolarHBondContact O-N 3.22Å
164Q89.3Confident93.3Very high81 Ų8141.1 Ų41.138%0.37922%0.217SC..EExtended strand (participates in β ladder)trans-128152.1179.2-66179.8-8.600109.8L72 T158 D159L72-Q164 VanDerWaalsContact O-CA 3.31Å; L72-Q164 WeakPolarHBondContact O-CA 3.12Å; T158-Q164 VanDerWaalsContact CA-O 3.28Å; T158-Q164 WeakPolarHBondContact CA-O 3.37Å; T158-Q164 WeakPolarHBondContact CB-O 3.34Å; T158-Q164 PolarHBondContact OG1-O 2.86Å; D159-Q164 PolarHBondContact N-O 3.15Å; D159-Q164 PolarHBondContact OD1-N 3.43Å
165C91.3Very high93.2Very high2 Ų243.5 Ų43.51%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-128.6148.9170.466.60000111.9L72 T157L72-C165 VanDerWaalsContact CB-O 3.27Å; L72-C165 WeakPolarHBondContact CB-O 3.43Å; L72-C165 PolarHBondContact N-O 2.77Å; L72-C165 PolarHBondContact O-N 2.86Å; L72-C165 VanDerWaalsContact O-N 3.12Å; T157-C165 CarbonylContact O-C 3.55Å; T157-C165 WeakPolarHBondContact O-CA 3.29Å; T157-C165 VanDerWaalsContact O-CB 3.32Å; T157-C165 WeakPolarHBondContact O-CB 3.41Å
166S94.8Very high93.1Very high18 Ų1850.8 Ų50.813%0.12627%0.267CS..EExtended strand (participates in β ladder)trans-124.5139173-60.10000109.1I69 E70 N71 T157I69-S166 CarbonylContact O-C 3.56Å; I69-S166 VanDerWaalsContact O-CA 3.28Å; I69-S166 WeakPolarHBondContact O-CA 3.05Å; E70-S166 WeakPolarHBondContact CA-OG 3.31Å; N71-S166 PolarHBondContact N-OG 2.96Å; T157-S166 PolarHBondContact N-O 3.4Å; T157-S166 PolarHBondContact O-N 3.37Å; T157-S166 PolarHBondContact OG1-O 3.32Å; T157-S166 VanDerWaalsContact OG1-O 3.12Å
167I96.3Very high93.1Very high0 Ų051.7 Ų51.70%027%0.272CS..EExtended strand (participates in β ladder)trans-110.9128.8178.7-56.1165.8000107.5S68 I69 L72 L80 L86 Y89 I90 L155 V169S68-I167 CarbonylContact C-O 3.49Å; S68-I167 VanDerWaalsContact CA-O 3.23Å; S68-I167 WeakPolarHBondContact CA-O 3.5Å; I69-I167 HydrophobicContact CB-CB 4.48Å; I69-I167 PolarHBondContact N-O 2.85Å; I69-I167 PolarHBondContact O-N 3.12Å; L72-I167 HydrophobicContact CD1-CD1 3.66Å; L72-I167 HydrophobicContact CD1-CG1 4.12Å; L80-I167 HydrophobicContact CD1-CD1 3.93Å; L86-I167 HydrophobicContact CD1-CD1 3.53Å; L86-I167 HydrophobicContact CD1-CG1 3.89Å; L86-I167 HydrophobicContact CD1-CG2 4.15Å; Y89-I167 HydrophobicContact CD1-CD1 3.62Å; Y89-I167 HydrophobicContact CE1-CD1 3.83Å; I90-I167 HydrophobicContact CD1-CG2 4Å; I90-I167 HydrophobicContact CG1-CG2 4.13Å; L155-I167 WeakPolarHBondContact O-CA 3.31Å; I167-V169 HydrophobicContact CG2-CG2 4.12Å
168W97.9Very high93.2Very high18 Ų1851.2 Ų51.27%0.06827%0.268CS..EExtended strand (participates in β ladder)trans-119127.9178-47.485.4000108.5Y65 S68 E70 H129 H131 A154 L155 T157 Y170Y65-W168 HydrophobicContact CE2-CE3 4.49Å; S68-W168 VanDerWaalsContact CB-CE3 3.48Å; E70-W168 HydrophobicContact CG-CH2 4.01Å; E70-W168 HydrophobicContact CG-CZ2 4.25Å; E70-W168 WeakPolarHBondContact OE1-CH2 3.41Å; H129-W168 AromaticContact CE1-CZ3 3.39Å; H129-W168 WeakPolarHBondContact CE1-CZ3 3.28Å; H129-W168 AromaticContact ND1-CH2 3.97Å; H129-W168 AromaticContact ND1-CZ3 3.65Å; H129-W168 AromaticContact NE2-CZ3 3.71Å; H131-W168 AromaticContact CE1-CD1 3.76Å; H131-W168 AromaticContact CE1-CD2 3.49Å; H131-W168 VanDerWaalsContact CE1-CD2 3.49Å; H131-W168 AromaticContact CE1-CE2 3.29Å; H131-W168 AromaticContact CE1-CG 3.83Å; H131-W168 AromaticContact CE1-CZ2 3.73Å; H131-W168 AromaticContact CE1-NE1 3.42Å; H131-W168 PolarHBondContact CE1-NE1 2.93Å; H131-W168 AromaticContact ND1-CE2 3.97Å; H131-W168 AromaticContact ND1-NE1 3.74Å; H131-W168 AromaticContact NE2-CD2 3.94Å; A154-W168 WeakPolarHBondContact CA-O 3.48Å; L155-W168 HydrophobicContact CB-CB 4.26Å; L155-W168 PolarHBondContact N-O 3.5Å; L155-W168 PolarHBondContact O-N 2.93Å; T157-W168 PolarHBondContact OG1-NE1 3.13Å; W168-Y170 HydrophobicContact CB-CE2 3.69Å
169V98.1Very high93.3Very high0 Ų054.6 Ų54.60%028%0.283CS..EExtended strand (participates in β ladder)trans-117.4127-175.6-171.90000109.8V66 G67 I90 L99 L152 L153 I167V66-V169 HydrophobicContact CB-CB 4.03Å; V66-V169 HydrophobicContact CB-CG1 3.91Å; V66-V169 WeakPolarHBondContact CB-O 3.36Å; V66-V169 HydrophobicContact CG1-CB 4.46Å; V66-V169 HydrophobicContact CG1-CG1 4.22Å; V66-V169 HydrophobicContact CG2-CG1 4.04Å; V66-V169 PolarHBondContact N-O 3.41Å; G67-V169 PolarHBondContact N-O 3.05Å; G67-V169 PolarHBondContact O-N 2.92Å; I90-V169 HydrophobicContact CD1-CG2 4.04Å; I90-V169 HydrophobicContact CG1-CG2 4.3Å; I90-V169 HydrophobicContact CG2-CG2 4.24Å; L99-V169 HydrophobicContact CD1-CG2 4.05Å; L152-V169 HydrophobicContact CB-CG1 4.4Å; L152-V169 HydrophobicContact CD1-CG1 4.37Å; L152-V169 HydrophobicContact CD2-CG1 4.33Å; L153-V169 WeakPolarHBondContact O-CA 3.4Å; I167-V169 HydrophobicContact CG2-CG2 4.12Å
170Y98Very high93.6Very high0 Ų056.2 Ų56.20%029%0.291CS..EExtended strand (participates in β ladder)trans-124.6151.3176.7-48.7-90000109.5V63 K64 Y65 L110 V119 H131 L152 L153 L155 W168V63-Y170 HydrophobicContact CG2-CD1 4.13Å; V63-Y170 HydrophobicContact CG2-CG 4.48Å; K64-Y170 CarbonylContact O-C 3.53Å; K64-Y170 VanDerWaalsContact O-CA 3.3Å; K64-Y170 WeakPolarHBondContact O-CA 3.27Å; Y65-Y170 AromaticContact CD2-CD1 3.76Å; Y65-Y170 HydrophobicContact CD2-CD1 3.76Å; Y65-Y170 AromaticContact CD2-CE1 3.53Å; Y65-Y170 HydrophobicContact CD2-CE1 3.53Å; Y65-Y170 HydrophobicContact CE2-CE1 4.07Å; L110-Y170 HydrophobicContact CD1-CD1 4.47Å; L110-Y170 HydrophobicContact CD1-CD2 4.21Å; L110-Y170 HydrophobicContact CD1-CE2 4.42Å; L110-Y170 HydrophobicContact CD1-CG 4.24Å; V119-Y170 HydrophobicContact CG1-CE1 4.23Å; V119-Y170 HydrophobicContact CG2-CE1 3.89Å; H131-Y170 PolarHBondContact NE2-OH 2.86Å; L152-Y170 CarbonylContact C-O 3.56Å; L152-Y170 WeakPolarHBondContact CA-O 3.36Å; L153-Y170 HydrophobicContact CD2-CD2 4.42Å; L153-Y170 PolarHBondContact N-O 2.78Å; L153-Y170 PolarHBondContact O-N 2.96Å; L155-Y170 HydrophobicContact CB-CE2 4.46Å; W168-Y170 HydrophobicContact CB-CE2 3.69Å
171Q97.9Very high94.1Very high22 Ų2250.9 Ų50.910%0.10326%0.259CS..EExtended strand (participates in β ladder)trans-106.4126.2172.5-172.9-172.5-85.100109.6K64 V66 P103 K150 L152K64-Q171 HydrophobicContact CB-CB 4.33Å; K64-Q171 PolarHBondContact N-O 2.75Å; K64-Q171 PolarHBondContact O-N 3.21Å; V66-Q171 HydrophobicContact CG2-CB 4.11Å; P103-Q171 HydrophobicContact CG-CB 3.88Å; P103-Q171 HydrophobicContact CG-CG 4.4Å; K150-Q171 HydrophobicContact CB-CG 4.2Å; L152-Q171 HydrophobicContact CD2-CB 4.03Å; L152-Q171 HydrophobicContact CD2-CG 4.21Å
172C97.1Very high94.6Very high1 Ų144.9 Ų44.91%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-86155.6174.1-62.20000111.3N151 S174 Q177 A178N151-C172 PolarHBondContact O-N 2.92Å; C172-S174 VanDerWaalsContact C-N 3.32Å; C172-Q177 HydrophobicContact CB-CB 4.5Å; C172-A178 HydrophobicContact CB-CB 3.94Å
173S93.5Very high95.3Very high82 Ų8244.9 Ų44.957%0.57323%0.233SC*.SBendtrans-68.7-29.9174.962.80000112.8Q177S173-Q177 PolarHBondContact OG-OE1 3.14Å
174S94.8Very high95.9Very high44 Ų4441 Ų4131%0.30822%0.217SC..SBendtrans-153162.918073.60000112.3C172 E176 Q177 A178C172-S174 VanDerWaalsContact C-N 3.32Å; S174-E176 VanDerWaalsContact C-N 3.3Å; S174-E176 PolarHBondContact O-N 3.4Å; S174-Q177 PolarHBondContact O-N 2.93Å; S174-Q177 PolarHBondContact OG-N 3.1Å; S174-Q177 VanDerWaalsContact OG-N 3.11Å; S174-A178 PolarHBondContact O-N 3.37Å; S174-A178 VanDerWaalsContact O-N 3.16Å
175S94.9Very high96.2Very high49 Ų4937.3 Ų37.334%0.34320%0.2SC..Hα-helixtrans-63.1-37173.1-166.10000112.3N151 Q177 A178 Q179N151-S175 VanDerWaalsContact CG-CA 3.49Å; N151-S175 WeakPolarHBondContact ND2-CB 3.15Å; N151-S175 WeakPolarHBondContact OD1-CA 3.28Å; N151-S175 WeakPolarHBondContact OD1-CB 3.47Å; N151-S175 PolarHBondContact OD1-OG 3.04Å; S175-Q177 VanDerWaalsContact C-N 3.35Å; S175-Q177 PolarHBondContact O-N 3.5Å; S175-A178 PolarHBondContact O-N 3.37Å; S175-Q179 WeakPolarHBondContact O-CG 3.36Å; S175-Q179 PolarHBondContact O-N 3.32Å
176E96.3Very high96.4Very high155 Ų15540.4 Ų40.472%0.72422%0.222SC*.Hα-helixtrans-60.9-43.9176.2-176.8-179.8-177.900111.6S174 Q179 N180S174-E176 VanDerWaalsContact C-N 3.3Å; S174-E176 PolarHBondContact O-N 3.4Å; E176-Q179 PolarHBondContact O-N 3.32Å; E176-N180 WeakPolarHBondContact O-CB 3.36Å; E176-N180 PolarHBondContact O-N 2.96Å
177Q96.8Very high96.4Very high26 Ų2641.9 Ų41.912%0.12124%0.235CC..Hα-helixtrans-61.4-47.1176.1-172.8-170.531.500111.1F61 R62 C172 S173 S174 S175 Q179 N180 I181F61-Q177 HydrophobicContact CD1-CG 4.03Å; R62-Q177 PolarHBondContact O-NE2 2.84Å; C172-Q177 HydrophobicContact CB-CB 4.5Å; S173-Q177 PolarHBondContact OG-OE1 3.14Å; S174-Q177 PolarHBondContact O-N 2.93Å; S174-Q177 PolarHBondContact OG-N 3.1Å; S174-Q177 VanDerWaalsContact OG-N 3.11Å; S175-Q177 VanDerWaalsContact C-N 3.35Å; S175-Q177 PolarHBondContact O-N 3.5Å; Q177-Q179 VanDerWaalsContact C-N 3.34Å; Q177-Q179 PolarHBondContact O-N 2.77Å; Q177-N180 PolarHBondContact O-N 2.7Å; Q177-N180 VanDerWaalsContact O-N 3.16Å; Q177-I181 HydrophobicContact CG-CD1 4.07Å; Q177-I181 WeakPolarHBondContact O-CG1 3.33Å; Q177-I181 PolarHBondContact O-N 3.16Å
178A96.9Very high96.3Very high0 Ų042.4 Ų42.40%024%0.239CC..Hα-helixtrans-59.6-45.1179.600000111.7C141 N151 C172 S174 S175 N180 I181 C182C141-A178 HydrophobicContact CB-CB 3.86Å; N151-A178 HydrophobicContact CB-CB 3.95Å; C172-A178 HydrophobicContact CB-CB 3.94Å; S174-A178 PolarHBondContact O-N 3.37Å; S174-A178 VanDerWaalsContact O-N 3.16Å; S175-A178 PolarHBondContact O-N 3.37Å; A178-N180 VanDerWaalsContact C-N 3.34Å; A178-N180 PolarHBondContact O-N 3.33Å; A178-I181 PolarHBondContact O-N 3.16Å; A178-C182 PolarHBondContact O-N 3.43Å; A178-C182 VanDerWaalsContact O-N 3.13Å; A178-C182 PolarHBondContact O-SG 3.3Å
179Q96.1Very high96.1Very high94 Ų9444.5 Ų44.544%0.43925%0.248SC..Hα-helixtrans-63.8-38.5175.6-70.7178.42.600112.4S175 E176 Q177 C182 K183S175-Q179 WeakPolarHBondContact O-CG 3.36Å; S175-Q179 PolarHBondContact O-N 3.32Å; E176-Q179 PolarHBondContact O-N 3.32Å; Q177-Q179 VanDerWaalsContact C-N 3.34Å; Q177-Q179 PolarHBondContact O-N 2.77Å; Q179-C182 PolarHBondContact O-N 3.46Å; Q179-K183 VanDerWaalsContact O-CG 3.28Å; Q179-K183 WeakPolarHBondContact O-CG 3.48Å; Q179-K183 PolarHBondContact O-N 3.31Å
180N96.8Very high95.8Very high75 Ų7549.6 Ų49.640%0.40128%0.275SS..Hα-helixtrans-65.2-43.3178-165.211.4000111.4F61 E176 Q177 A178 C182 K183 V184F61-N180 HydrophobicContact CE1-CB 4.25Å; E176-N180 WeakPolarHBondContact O-CB 3.36Å; E176-N180 PolarHBondContact O-N 2.96Å; Q177-N180 PolarHBondContact O-N 2.7Å; Q177-N180 VanDerWaalsContact O-N 3.16Å; A178-N180 VanDerWaalsContact C-N 3.34Å; A178-N180 PolarHBondContact O-N 3.33Å; N180-C182 VanDerWaalsContact C-N 3.32Å; N180-C182 PolarHBondContact O-N 2.91Å; N180-K183 PolarHBondContact O-N 3.38Å; N180-K183 VanDerWaalsContact O-N 3.15Å; N180-V184 WeakPolarHBondContact O-CG2 3.32Å; N180-V184 PolarHBondContact O-N 3.27Å
181I97.5Very high95.4Very high0 Ų053.3 Ų53.30%030%0.301CS..Hα-helixtrans-56.8-47.3174.5-66.7163.6000110.5F61 V63 L110 V112 M139 L153 Q177 A178 K183 V184 L185F61-I181 HydrophobicContact CB-CD1 3.92Å; F61-I181 HydrophobicContact CB-CG1 4.07Å; F61-I181 HydrophobicContact CD1-CD1 4.21Å; F61-I181 HydrophobicContact CD1-CG1 3.66Å; F61-I181 HydrophobicContact CD2-CD1 4.3Å; F61-I181 HydrophobicContact CD2-CG1 3.54Å; F61-I181 HydrophobicContact CE1-CG1 3.88Å; F61-I181 HydrophobicContact CE2-CG1 3.76Å; F61-I181 HydrophobicContact CG-CD1 3.9Å; F61-I181 HydrophobicContact CG-CG1 3.47Å; F61-I181 VanDerWaalsContact CG-CG1 3.47Å; F61-I181 HydrophobicContact CZ-CG1 3.92Å; V63-I181 HydrophobicContact CG1-CD1 4.14Å; L110-I181 HydrophobicContact CD2-CG2 4.13Å; V112-I181 HydrophobicContact CG2-CG2 4.11Å; M139-I181 HydrophobicContact CE-CG2 3.67Å; M139-I181 HydrophobicContact SD-CG2 4.08Å; L153-I181 HydrophobicContact CD1-CG2 4.32Å; L153-I181 HydrophobicContact CD2-CD1 4.42Å; L153-I181 HydrophobicContact CD2-CG2 3.72Å; Q177-I181 HydrophobicContact CG-CD1 4.07Å; Q177-I181 WeakPolarHBondContact O-CG1 3.33Å; Q177-I181 PolarHBondContact O-N 3.16Å; A178-I181 PolarHBondContact O-N 3.16Å; I181-K183 PolarHBondContact O-N 3.44Å; I181-V184 PolarHBondContact O-N 3.49Å; I181-L185 PolarHBondContact O-N 2.94Å
182C96.6Very high94.9Very high25 Ų2554.2 Ų54.217%0.16931%0.312CS..Hα-helixtrans-58.7-45.7174.7-69.90000112.7M139 A178 Q179 N180 V184 L185 S186M139-C182 VanDerWaalsContact CE-CA 3.42Å; M139-C182 HydrophobicContact CE-CB 4.18Å; A178-C182 PolarHBondContact O-N 3.43Å; A178-C182 VanDerWaalsContact O-N 3.13Å; A178-C182 PolarHBondContact O-SG 3.3Å; Q179-C182 PolarHBondContact O-N 3.46Å; N180-C182 VanDerWaalsContact C-N 3.32Å; N180-C182 PolarHBondContact O-N 2.91Å; C182-V184 PolarHBondContact O-N 2.88Å; C182-L185 PolarHBondContact O-N 3.07Å; C182-S186 PolarHBondContact O-N 2.97Å; C182-S186 PolarHBondContact O-OG 3.06Å
183K96.2Very high94.4Very high137 Ų13760.2 Ų60.260%0.59634%0.343SS*.Hα-helixtrans-60.7-44.5178.3-73.9169-175.5172.60112.3Q179 N180 I181 L185 S186 A187Q179-K183 VanDerWaalsContact O-CG 3.28Å; Q179-K183 WeakPolarHBondContact O-CG 3.48Å; Q179-K183 PolarHBondContact O-N 3.31Å; N180-K183 PolarHBondContact O-N 3.38Å; N180-K183 VanDerWaalsContact O-N 3.15Å; I181-K183 PolarHBondContact O-N 3.44Å; K183-L185 VanDerWaalsContact C-N 3.35Å; K183-S186 PolarHBondContact O-N 3.43Å; K183-A187 WeakPolarHBondContact O-CB 3.42Å; K183-A187 PolarHBondContact O-N 3.45Å
184V96.6Very high93.7Very high31 Ų3160.2 Ų60.219%0.18834%0.343CS..Hα-helixtrans-65.7-39.9178.6177.30000111A59 F61 V112 N180 I181 C182 A187 S188A59-V184 HydrophobicContact CB-CG1 3.96Å; A59-V184 HydrophobicContact CB-CG2 4.15Å; F61-V184 HydrophobicContact CZ-CG2 4.18Å; V112-V184 HydrophobicContact CB-CG1 3.89Å; V112-V184 HydrophobicContact CG1-CB 4.37Å; V112-V184 HydrophobicContact CG1-CG1 3.8Å; N180-V184 WeakPolarHBondContact O-CG2 3.32Å; N180-V184 PolarHBondContact O-N 3.27Å; I181-V184 PolarHBondContact O-N 3.49Å; C182-V184 PolarHBondContact O-N 2.88Å; V184-A187 PolarHBondContact O-N 2.98Å; V184-S188 WeakPolarHBondContact O-CB 3.31Å; V184-S188 PolarHBondContact O-N 3.48Å; V184-S188 PolarHBondContact O-OG 2.94Å
185L96.3Very high92.1Very high4 Ų462.4 Ų62.42%0.02136%0.358CS..Hα-helixtrans-66.4-43.2176.5-175.164.6000111.5V112 V117 L133 I136 M139 I181 C182 K183 A187 S188 F189V112-L185 HydrophobicContact CG1-CB 4Å; V112-L185 HydrophobicContact CG1-CD1 3.99Å; V117-L185 HydrophobicContact CG2-CD1 4.17Å; L133-L185 HydrophobicContact CD1-CD1 3.64Å; I136-L185 HydrophobicContact CD1-CD1 4.21Å; I136-L185 HydrophobicContact CG2-CD2 4.35Å; M139-L185 HydrophobicContact CB-CD2 3.7Å; M139-L185 HydrophobicContact CE-CB 3.61Å; M139-L185 HydrophobicContact CE-CD2 3.39Å; M139-L185 HydrophobicContact CE-CG 4.13Å; M139-L185 HydrophobicContact CG-CD2 4.33Å; M139-L185 HydrophobicContact SD-CD2 3.64Å; I181-L185 PolarHBondContact O-N 2.94Å; C182-L185 PolarHBondContact O-N 3.07Å; K183-L185 VanDerWaalsContact C-N 3.35Å; L185-A187 PolarHBondContact O-N 3.29Å; L185-S188 WeakPolarHBondContact O-CB 3.35Å; L185-S188 PolarHBondContact O-N 3.09Å; L185-S188 VanDerWaalsContact O-N 3.11Å; L185-F189 HydrophobicContact CD1-CD2 4.44Å; L185-F189 HydrophobicContact CD1-CE2 4.02Å; L185-F189 HydrophobicContact CD2-CE2 4.04Å; L185-F189 HydrophobicContact CG-CD2 4.07Å; L185-F189 HydrophobicContact CG-CE2 3.72Å; L185-F189 VanDerWaalsContact O-CD2 3.3Å; L185-F189 WeakPolarHBondContact O-CD2 3.38Å; L185-F189 PolarHBondContact O-N 3.17Å
186S95.4Very high90.1Very high68 Ų6866.1 Ų66.148%0.47637%0.374SS..Hα-helixtrans-57.1-47.9173.7-66.30000111.6C182 K183 S188 F189 D190C182-S186 PolarHBondContact O-N 2.97Å; C182-S186 PolarHBondContact O-OG 3.06Å; K183-S186 PolarHBondContact O-N 3.43Å; S186-S188 VanDerWaalsContact C-N 3.25Å; S186-S188 PolarHBondContact O-N 3.43Å; S186-F189 WeakPolarHBondContact O-CB 3.31Å; S186-F189 PolarHBondContact O-N 2.87Å; S186-F189 VanDerWaalsContact O-N 3.13Å; S186-D190 PolarHBondContact O-N 3.26Å
187A94.1Very high87.8Confident48 Ų4867.8 Ų67.840%0.39738%0.379SS..Hα-helixtrans-60.6-35.6175.700000112.4K183 V184 L185 D190 C191K183-A187 WeakPolarHBondContact O-CB 3.42Å; K183-A187 PolarHBondContact O-N 3.45Å; V184-A187 PolarHBondContact O-N 2.98Å; L185-A187 PolarHBondContact O-N 3.29Å; A187-D190 PolarHBondContact O-N 2.88Å; A187-C191 WeakPolarHBondContact O-CB 3.46Å; A187-C191 PolarHBondContact O-N 3.03Å; A187-C191 PolarHBondContact O-SG 2.99Å
188S93.7Very high85.5Confident11 Ų1175.9 Ų75.98%0.07743%0.434CS..Hα-helixtrans-64.8-39.9176.1-59.10000111.9V184 L185 S186 A192V184-S188 WeakPolarHBondContact O-CB 3.31Å; V184-S188 PolarHBondContact O-N 3.48Å; V184-S188 PolarHBondContact O-OG 2.94Å; L185-S188 WeakPolarHBondContact O-CB 3.35Å; L185-S188 PolarHBondContact O-N 3.09Å; L185-S188 VanDerWaalsContact O-N 3.11Å; S186-S188 VanDerWaalsContact C-N 3.25Å; S186-S188 PolarHBondContact O-N 3.43Å; S188-A192 WeakPolarHBondContact O-CB 3.26Å; S188-A192 PolarHBondContact O-N 3.04Å; S188-A192 VanDerWaalsContact O-N 3.1Å
189F94Very high84.9Confident63 Ų6379.7 Ų79.728%0.27646%0.456SS..Hα-helixtrans-64.6-45.9171.8-76.6-63.9000112L133 I136 L185 S186 C191 A192 L193L133-F189 HydrophobicContact CD1-CD1 3.81Å; L133-F189 HydrophobicContact CD1-CD2 4.29Å; L133-F189 HydrophobicContact CD1-CE1 3.55Å; L133-F189 HydrophobicContact CD1-CE2 4.06Å; L133-F189 HydrophobicContact CD1-CG 4.18Å; L133-F189 HydrophobicContact CD1-CZ 3.69Å; L133-F189 HydrophobicContact CD2-CD1 4.16Å; L133-F189 HydrophobicContact CD2-CE1 4.46Å; L133-F189 HydrophobicContact CG-CD1 3.81Å; L133-F189 HydrophobicContact CG-CE1 3.62Å; L133-F189 HydrophobicContact CG-CZ 4.25Å; L133-F189 WeakPolarHBondContact O-CE1 3.33Å; I136-F189 HydrophobicContact CB-CZ 4Å; I136-F189 HydrophobicContact CG2-CE2 4.39Å; I136-F189 HydrophobicContact CG2-CZ 3.94Å; L185-F189 HydrophobicContact CD1-CD2 4.44Å; L185-F189 HydrophobicContact CD1-CE2 4.02Å; L185-F189 HydrophobicContact CD2-CE2 4.04Å; L185-F189 HydrophobicContact CG-CD2 4.07Å; L185-F189 HydrophobicContact CG-CE2 3.72Å; L185-F189 VanDerWaalsContact O-CD2 3.3Å; L185-F189 WeakPolarHBondContact O-CD2 3.38Å; L185-F189 PolarHBondContact O-N 3.17Å; S186-F189 WeakPolarHBondContact O-CB 3.31Å; S186-F189 PolarHBondContact O-N 2.87Å; S186-F189 VanDerWaalsContact O-N 3.13Å; F189-C191 VanDerWaalsContact C-N 3.31Å; F189-C191 PolarHBondContact O-N 2.81Å; F189-A192 PolarHBondContact O-N 3.01Å; F189-L193 WeakPolarHBondContact O-CG 3.48Å; F189-L193 PolarHBondContact O-N 3.2Å
190D92.1Very high84.3Confident106 Ų10678.9 Ų78.957%0.56746%0.457SS*.Hα-helixtrans-61.2-40178.8-67.4-26.5000112S186 A187 L193 S194S186-D190 PolarHBondContact O-N 3.26Å; A187-D190 PolarHBondContact O-N 2.88Å; D190-L193 PolarHBondContact O-N 3.29Å; D190-S194 VanDerWaalsContact O-CB 3.3Å; D190-S194 WeakPolarHBondContact O-CB 3.47Å; D190-S194 PolarHBondContact O-N 2.94Å; D190-S194 PolarHBondContact O-OG 2.87Å
191C89.5Confident83.7Confident79 Ų7979.1 Ų79.153%0.53446%0.46SS..Hα-helixtrans-63.1-44.3174.1-74.40000112.3A187 F189 L193 S194 S195A187-C191 WeakPolarHBondContact O-CB 3.46Å; A187-C191 PolarHBondContact O-N 3.03Å; A187-C191 PolarHBondContact O-SG 2.99Å; F189-C191 VanDerWaalsContact C-N 3.31Å; F189-C191 PolarHBondContact O-N 2.81Å; C191-L193 VanDerWaalsContact C-N 3.28Å; C191-L193 PolarHBondContact O-N 3.11Å; C191-S194 WeakPolarHBondContact CA-OG 3.35Å; C191-S194 PolarHBondContact O-N 3.45Å; C191-S194 PolarHBondContact O-OG 3.35Å; C191-S195 PolarHBondContact O-N 3.49Å; C191-S195 VanDerWaalsContact O-N 3.15Å
192A88Confident82.8Confident41 Ų4183.8 Ų83.834%0.33949%0.487SS..Hα-helixtrans-66.5-30.1178.800000112.9L133 S188 F189 S195 N196L133-A192 HydrophobicContact CD2-CB 3.93Å; S188-A192 WeakPolarHBondContact O-CB 3.26Å; S188-A192 PolarHBondContact O-N 3.04Å; S188-A192 VanDerWaalsContact O-N 3.1Å; F189-A192 PolarHBondContact O-N 3.01Å; A192-S195 PolarHBondContact O-OG 3.41Å; A192-N196 PolarHBondContact O-ND2 3.38Å
193L86Confident82Confident127 Ų12787.4 Ų87.467%0.66551%0.507SS*.Hα-helixtrans-80.5-37.5176.3-67.7173.3000112.3F189 D190 C191 N196F189-L193 WeakPolarHBondContact O-CG 3.48Å; F189-L193 PolarHBondContact O-N 3.2Å; D190-L193 PolarHBondContact O-N 3.29Å; C191-L193 VanDerWaalsContact C-N 3.28Å; C191-L193 PolarHBondContact O-N 3.11Å; L193-N196 PolarHBondContact O-N 2.86Å
194S79.1Confident81Confident81 Ų8184.1 Ų84.157%0.56650%0.501SS*.Hα-helixtrans-75.3-22.3-178.8550000114.3D190 C191 N196 K197D190-S194 VanDerWaalsContact O-CB 3.3Å; D190-S194 WeakPolarHBondContact O-CB 3.47Å; D190-S194 PolarHBondContact O-N 2.94Å; D190-S194 PolarHBondContact O-OG 2.87Å; C191-S194 WeakPolarHBondContact CA-OG 3.35Å; C191-S194 PolarHBondContact O-N 3.45Å; C191-S194 PolarHBondContact O-OG 3.35Å; S194-N196 PolarHBondContact O-N 3.2Å; S194-K197 PolarHBondContact O-N 3.49Å
195S61.5Low79.9Confident90 Ų9087.9 Ų87.963%0.62952%0.523SS*.THydrogen-bonded Turntrans-68.4-7.2173.467.80000114.1C191 A192C191-S195 PolarHBondContact O-N 3.49Å; C191-S195 VanDerWaalsContact O-N 3.15Å; A192-S195 PolarHBondContact O-OG 3.41Å
196N53.7Low78.7Confident127 Ų12794.4 Ų94.468%0.67956%0.562SS**THydrogen-bonded Turntrans-98.620.4179.4-70.4-51.6000113.8A192 L193 S194 P198A192-N196 PolarHBondContact O-ND2 3.38Å; L193-N196 PolarHBondContact O-N 2.86Å; S194-N196 PolarHBondContact O-N 3.2Å; N196-P198 VanDerWaalsContact O-CD 3.27Å; N196-P198 WeakPolarHBondContact O-CD 3.47Å
197K46.1Very low77.3Confident190 Ų19096.6 Ų96.683%0.82657%0.569SS**  trans-77.5114.6165.9-109178.7179.61730109S194S194-K197 PolarHBondContact O-N 3.49Å
198P49.3Very low75.7Confident196 Ų196101 Ų101100%1.27359%0.585SS**  trans-65.30173.129.3-34.5000112.1N196N196-P198 VanDerWaalsContact O-CD 3.27Å; N196-P198 WeakPolarHBondContact O-CD 3.47Å

Retrieved 198 of 198 residues in 127.9 ms (Link to these results)