A0A093HB41_STRCA Loading...

Mitochondrial import inner membrane translocase subunit Tim21

Essential component of the TIM23 complex, a complex that mediates the translocation of transit peptide-containing proteins across the mitochondrial inner membrane.

AlphaFold DB , UniProt , Accession A0A093HB41, Species STRCA (Struthio camelus australis), Gene n/a, Length 244 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M42.5Very low43Very low247 Ų247166.6 Ų166.6100%1.21788%0.875SS**  0119.20-83.6168.2152.900107.8
2F37.9Very low42.4Very low216 Ų216162.8 Ų162.895%0.94787%0.87SS**  trans-71.8145.5-174.3-70.3-98.2000111.6
3S36.5Very low42.1Very low118 Ų118155.7 Ų155.783%0.82586%0.858SS**  -168.5117.9114.2-154.50000111.2
4A43.2Very low41.9Very low89 Ų89157.1 Ų157.174%0.73686%0.856SS**  trans-81.3148.5169.400000109.5
5S52Low41.7Very low129 Ų129158.8 Ų158.890%0.90285%0.852SS**  trans-126.8126.9162.2-730000108.9
6L48Very low41.9Very low146 Ų146157.3 Ų157.376%0.76484%0.842SS**  trans-131.2111.6-156.9178.2173.5000105.9
7V46.3Very low41.8Very low136 Ų136158.6 Ų158.682%0.82484%0.842SS**  trans-164.4137.4160.5176.80000106.4
8R42Very low41.7Very low216 Ų216156.8 Ų156.882%0.81584%0.838SS**  cis-170.7131.3-22.6171.2175.6-75.7160.2-4103.7
9A39.3Very low41.3Very low88 Ų88154.2 Ų154.273%0.72783%0.833SS**  trans-58.7145.3172.800000112.4
10R37.8Very low41.3Very low257 Ų257151.8 Ų151.897%0.9783%0.828SS**  trans-124.797.2151.1-84.6-149.4178.7-167.12.3108.5
11Q47.9Very low41Very low191 Ų191147.7 Ų147.789%0.89382%0.821SS**  trans-105.7123.7159.6-149.6168.919.900105.3
12C35.1Very low41Very low121 Ų121145 Ų14582%0.81880%0.803SS**  trans-134.1101.5166.5-161.60000106.7
13G38.8Very low40.7Very low70 Ų70146.6 Ų146.672%0.72280%0.803SS**  trans-99.4136.2162.600000108.9
14E39.8Very low40.9Very low175 Ų175148.8 Ų148.882%0.81880%0.804SS**  trans-14798.5158.2-110.6176.3103.100104.2
15K38.4Very low41Very low183 Ų183152.2 Ų152.280%0.79681%0.81SS**  47.6112.488.6-87.5-163.3171.8-1730115.6
16L44.9Very low40.5Very low135 Ų135152.3 Ų152.371%0.70781%0.807SS**  trans68.8116.4133.5-65166.3000119
17Q39.8Very low40Very low179 Ų179149.5 Ų149.584%0.83681%0.805SS**  -149.2105.5129.2-99.1-73.9-55.300109
18V39.8Very low39.8Very low127 Ų127149.2 Ų149.277%0.7781%0.809SS**  trans-76128.3152.8163.30000106
19S34.9Very low39.4Very low107 Ų107142.7 Ų142.775%0.74881%0.809SS**  trans-147.3114.6160.1-168.40000111.5
20S40.4Very low39.4Very low105 Ų105150.3 Ų150.373%0.73482%0.819SS**  trans-77.2130.5174.3164.90000109.4
21G34.9Very low39.4Very low66 Ų66144.4 Ų144.468%0.6881%0.811SS**  trans-147.676.6175.900000111.7
22K43.8Very low38.9Very low191 Ų191143.3 Ų143.383%0.8381%0.811SS**  trans-58.1131.5160.2-74.3178.1172.4-166.30109.1
23W31.9Very low38.8Very low249 Ų249143.2 Ų143.294%0.94381%0.811SS**  trans-129.5132.9154.6-80.491.3000109.9
24L40.6Very low38.7Very low164 Ų164144.2 Ų144.286%0.85981%0.813SS**  trans-77.8159.6-175.2-72.4155.9000111.5
25L43.9Very low38.7Very low162 Ų162141.9 Ų141.985%0.84881%0.81SS**  trans-47.3162.4175.3-62.2155.3000114.2
26P42.1Very low38.6Very low131 Ų131145.7 Ų145.785%0.85182%0.82SS**  -128.5159.5110.336.7-30.1000113.8
27A37.9Very low38.4Very low87 Ų87144.4 Ų144.472%0.71982%0.821SS**  trans-88.8158.4-169.700000114
28S41.8Very low38.6Very low130 Ų130143.4 Ų143.491%0.90982%0.82SS**  trans88.2116.6144.578.80000119.1
29G32.5Very low38.3Very low79 Ų79147.6 Ų147.681%0.81482%0.822SS**  trans177.385.1166.400000109.4
30R40.6Very low38.4Very low248 Ų248154.8 Ų154.894%0.93683%0.833SS**  trans-61.5133.3-179.5-57.2172.5-152.5-158.11.8110.8
31V37.8Very low37.9Very low133 Ų133159.6 Ų159.681%0.80684%0.835SS**  trans-150.9104.6142.4-178.40000110.3
32L37.1Very low38.3Very low168 Ų168165.7 Ų165.788%0.8885%0.846SS**  trans38.797.4143.4-55165.9000119.4
33S32.9Very low38.2Very low119 Ų119165.4 Ų165.483%0.83285%0.848SS**  trans-83.9108.4156.9730000109.7
34A36.9Very low39Very low91 Ų91158.6 Ų158.675%0.75284%0.835SS**  trans-77.8120.3164.300000108.9W36A34-W36 PolarHBondContact O-N 3.38Å
35T40.3Very low39.1Very low125 Ų125156.8 Ų156.877%0.76783%0.834SS**  trans-60119.6-179.137.40000112C37T35-C37 PolarHBondContact O-N 2.79Å
36W35.1Very low38.5Very low264 Ų264160.8 Ų160.8100%184%0.837SS**  trans-85.993.3164-87.161.1000108.8A34A34-W36 PolarHBondContact O-N 3.38Å
37C40.7Very low38.3Very low107 Ų107166.4 Ų166.472%0.72384%0.841SS**  trans-121.1113.1166.4-860000110T35T35-C37 PolarHBondContact O-N 2.79Å
38L44.5Very low38.5Very low158 Ų158171 Ų17183%0.82785%0.848SS**  trans36.6106.6141.4-65.8158.1000118.3
39R34.4Very low38.6Very low215 Ų215170.5 Ų170.581%0.81184%0.842SS**  trans-155.888.4136.9-161.1130.291.3-178.96.7112R41R39-R41 HydrophobicContact CG-CB 4.39Å; R39-R41 PolarHBondContact O-N 2.56Å
40W36Very low38.9Very low258 Ų258171.5 Ų171.598%0.97784%0.842SS**  trans-63102.6157.9-8882.5000108
41R30.7Very low38.8Very low206 Ų206167.9 Ų167.978%0.77784%0.841SS**  trans-113.9115171.1-154.1179.5-163.6-1423107.1R39 Q43R39-R41 HydrophobicContact CG-CB 4.39Å; R39-R41 PolarHBondContact O-N 2.56Å; R41-Q43 PolarHBondContact O-N 2.9Å
42H43.5Very low39.1Very low194 Ų194172.7 Ų172.790%0.89884%0.844SS**  trans-43.3128.9169.7-90.3-96.7000111.5
43Q40.1Very low39.3Very low186 Ų186170.5 Ų170.587%0.86984%0.84SS**  trans-114.7117.7172.1-160.8164.624.300108.3R41R41-Q43 PolarHBondContact O-N 2.9Å
44P49.7Very low39.4Very low105 Ų105174.2 Ų174.268%0.68284%0.841SS**PPolyproline II helixtrans-78.9158.8172.231.7-31.8000110.8R46P44-R46 PolarHBondContact O-N 2.95Å
45P43.4Very low39.3Very low127 Ų127172.8 Ų172.883%0.82584%0.836SS**PPolyproline II helixtrans-73.9124.8-173.128.9-32.3000111.7
46R31.4Very low39Very low246 Ų246175.4 Ų175.493%0.92884%0.837SS**PPolyproline II helixtrans-76.1119.7164.5-89.8-169.5175.4-179.1-0.7108.9P44P44-R46 PolarHBondContact O-N 2.95Å
47R36.8Very low39Very low248 Ų248170.9 Ų170.994%0.93683%0.831SS**PPolyproline II helixtrans-78.7122.8165.6-72.6179.8173165.1-2.4108.8
48E41.5Very low39Very low184 Ų184173.3 Ų173.386%0.8683%0.832SS**PPolyproline II helixtrans-87.1147.8163.4-74.2-159.5114.300110.7
49P44.3Very low38.9Very low120 Ų120172.3 Ų172.378%0.77983%0.828SS**PPolyproline II helixtrans-82.6148.6-179.632.8-32000112.5
50A38.7Very low39.1Very low99 Ų99166.6 Ų166.682%0.81883%0.826SS**PPolyproline II helixtrans-62.5133.2-178.900000113.5
51L39Very low39.5Very low173 Ų173162.4 Ų162.491%0.90682%0.815SS**PPolyproline II helixtrans-66132.4163.3-84.1151.3000110.5
52R44.4Very low40.3Very low234 Ų234159.4 Ų159.488%0.88381%0.809SS**PPolyproline II helixtrans-72.4163.1169.8-62.4-179.4174.8-172.2-2.4110.8
53P41.9Very low40.5Very low122 Ų122156.4 Ų156.479%0.79280%0.8SS**  -121.1136.9125.829-18.1000112.5
54F33.4Very low40.4Very low196 Ų196155 Ų15586%0.8680%0.797SS**  trans7.1125.5149-93.8-108.1000118.9
55G35.3Very low39.6Very low61 Ų61160.8 Ų160.863%0.62981%0.805SS**  trans-88.5173.8160.700000112.6
56F34.3Very low39.6Very low181 Ų181159 Ų15979%0.79479%0.793SS**  trans174.4105.3137.9-99.8-74.8000107.7
57L35Very low39.9Very low169 Ų169156.1 Ų156.189%0.88579%0.789SS**  -174.4144.8108.1-143.181.7000110.1
58Q40.9Very low40.1Very low157 Ų157148.9 Ų148.973%0.73478%0.783SS**  trans-91.5170.1-166.6-73.4165.4-28.500114
59D43.1Very low39.7Very low138 Ų138144 Ų14474%0.73878%0.781SS**  trans82.5112.9145-86.4-56.2000119.7
60A38.6Very low39.1Very low94 Ų94142 Ų14278%0.77778%0.782SS**  -178.1103.183.900000112
61K42.9Very low39.4Very low170 Ų170145.4 Ų145.474%0.73979%0.786SS**  20.9117129.2-131.1-170.1176.1-1700118.4
62Q48.6Very low39.3Very low143 Ų143149.2 Ų149.267%0.66879%0.788SS**  167.811496.2-84.7-171.422.500113.5
63N47.8Very low39Very low131 Ų131143.1 Ų143.170%0.70179%0.788SS**  trans-35.114514243.7-26.4000116.6
64I38.4Very low38.5Very low156 Ų156141 Ų14180%0.879%0.788SS**  trans-167.2111.5135.8-86.6139.2000110.9
65W31.9Very low39Very low227 Ų227141.9 Ų141.986%0.8679%0.792SS**  trans23.4133.6137.9-127.650.4000125.1
66T42.5Very low38.8Very low91 Ų91145 Ų14556%0.55880%0.804SS**  trans32.3153.9138.866.30000121.1
67Q37.9Very low38.9Very low184 Ų184140 Ų14086%0.8680%0.804SS**  cis-166.5164.143-152.9-167.515.100111.3
68A41.6Very low38.9Very low97 Ų97135.8 Ų135.880%0.80280%0.801SS**  trans-54.6157.8171.700000115.3
69G32.3Very low38.9Very low80 Ų80135.8 Ų135.883%0.82581%0.806SS**  trans179.6118.8165.500000112.7
70G32.5Very low38.7Very low78 Ų78134.1 Ų134.180%0.80481%0.805SS**  trans-87.9-175.6-171.500000116.9
71L44.5Very low38.8Very low171 Ų171138.4 Ų138.490%0.89581%0.806SS**  trans-11.8128.5162.5-60.2160.7000117.4
72R37.2Very low38.5Very low253 Ų253138.8 Ų138.896%0.95581%0.811SS**  177.5158.7113.4-98.5179.6-171.4-1523.2113.8
73A38.6Very low38.6Very low106 Ų106138.5 Ų138.588%0.87682%0.818SS**  trans-68164-169.800000116.9
74G30.7Very low38.6Very low77 Ų77137.2 Ų137.279%0.79482%0.82SS**  trans178.198.6160.500000113.2
75K44.7Very low39.2Very low216 Ų216134.6 Ų134.694%0.93981%0.81SS**  trans-67.2147.3164.5-84.3176.6169.5177.20110.1
76S30.6Very low40.1Very low125 Ų125131.8 Ų131.887%0.87481%0.807SS**  -164.1141.9127.6-156.20000111.4
77G37.5Very low40.6Very low77 Ų77137.6 Ų137.679%0.79482%0.819SS**  trans-88175.6-175.400000114.6
78G33.3Very low41.3Very low80 Ų80133.1 Ų133.183%0.82580%0.801SS**  trans-179.4100.8172.200000111.3
79N42.8Very low41.9Very low158 Ų158134.9 Ų134.985%0.84579%0.792SS**  trans-68.5138.2176.4173.930.9000112
80S37.6Very low43Very low102 Ų102137.9 Ų137.971%0.71378%0.782SS**  trans-178.8110144.2172.60000111.9
81K41.6Very low44.1Very low185 Ų185139.7 Ų139.780%0.80477%0.77SS**  trans31.4136.2137.9-59.2-178.5178.8-178.90120.2
82Q36.5Very low44.8Very low178 Ų178137.8 Ų137.883%0.83276%0.757SS**  trans11190.9132.8-148.7171.60.600116.7
83V50.4Low46Very low137 Ų137129.9 Ų129.983%0.8374%0.737SS**  29119.9125-176.80000117.1
84S48Very low47.1Very low104 Ų104130 Ų13073%0.72772%0.722SS**  trans12742.4152.8-169.30000116.6
85V49.8Very low48.5Very low100 Ų100131.3 Ų131.361%0.60671%0.71SS**  trans-140.149.8163.2-163.10000110.7D88V85-D88 HydrophobicContact CG1-CB 4.28Å
86Q50.7Low49.6Very low169 Ų169123.5 Ų123.579%0.7968%0.683SS**SBendtrans-107.3-15.2173.1-141.2-176.724.100112.4
87R53.5Low51.2Low213 Ų213119.8 Ų119.880%0.80466%0.659SS**Hα-helixtrans-78.2-42.8174.2-74-172.2172.7100.3-0.8111.3K90 Q91R87-K90 PolarHBondContact O-N 2.87Å; R87-Q91 WeakPolarHBondContact O-CB 3.27Å; R87-Q91 PolarHBondContact O-N 2.89Å
88D53.1Low52.6Low90 Ų90119 Ų11948%0.48165%0.645SS.*Hα-helixtrans-68.9-43-179.4-65.6-60.9000113.4V85 K90 Q91 E92V85-D88 HydrophobicContact CG1-CB 4.28Å; D88-K90 VanDerWaalsContact C-N 3.35Å; D88-K90 PolarHBondContact O-N 3.32Å; D88-Q91 CarbonylContact O-C 3.6Å; D88-Q91 PolarHBondContact O-N 2.81Å; D88-E92 WeakPolarHBondContact O-CB 3.43Å; D88-E92 WeakPolarHBondContact O-CG 3.19Å; D88-E92 PolarHBondContact O-N 2.83Å
89Q54.9Low54.1Low133 Ų133120.8 Ų120.862%0.62163%0.633SS**Hα-helixtrans-64.5-36.8176.6-78.2-171.3-8.200113.2T93Q89-T93 WeakPolarHBondContact O-CB 3.26Å; Q89-T93 VanDerWaalsContact O-CG2 3.28Å; Q89-T93 WeakPolarHBondContact O-CG2 3.04Å; Q89-T93 PolarHBondContact O-N 3.28Å; Q89-T93 PolarHBondContact O-OG1 3.49Å
90K54.6Low55.3Low143 Ų143119.9 Ų119.962%0.62262%0.621SS**Hα-helixtrans-71.2-35.7175.5-167.6178.7179.5-175.70111.1R87 D88 T93 L94R87-K90 PolarHBondContact O-N 2.87Å; D88-K90 VanDerWaalsContact C-N 3.35Å; D88-K90 PolarHBondContact O-N 3.32Å; K90-T93 VanDerWaalsContact CA-OG1 3.3Å; K90-T93 WeakPolarHBondContact CA-OG1 3.16Å; K90-T93 PolarHBondContact O-OG1 3.44Å; K90-T93 VanDerWaalsContact O-OG1 3.06Å; K90-L94 HydrophobicContact CG-CD1 4.34Å; K90-L94 WeakPolarHBondContact O-CB 3.5Å; K90-L94 WeakPolarHBondContact O-CG 3.23Å; K90-L94 PolarHBondContact O-N 3.37Å
91Q56.4Low56.7Low116 Ų116120.1 Ų120.154%0.54262%0.618SS.*Hα-helixtrans-72.8-40.7177.6-168.3160.8-12.700111.4R87 D88 L94 L95R87-Q91 WeakPolarHBondContact O-CB 3.27Å; R87-Q91 PolarHBondContact O-N 2.89Å; D88-Q91 CarbonylContact O-C 3.6Å; D88-Q91 PolarHBondContact O-N 2.81Å; Q91-L94 PolarHBondContact O-N 2.91Å; Q91-L95 HydrophobicContact CG-CD1 4.24Å; Q91-L95 WeakPolarHBondContact O-CB 3.37Å; Q91-L95 WeakPolarHBondContact O-CG 3.48Å; Q91-L95 PolarHBondContact O-N 3.39Å
92E58.7Low57.9Low131 Ų131119.1 Ų119.161%0.61261%0.613SS**Hα-helixtrans-68.1-37.4174.1-72.5-170.9169.300112.8D88 L95 S96D88-E92 WeakPolarHBondContact O-CB 3.43Å; D88-E92 WeakPolarHBondContact O-CG 3.19Å; D88-E92 PolarHBondContact O-N 2.83Å; E92-L95 PolarHBondContact O-N 3.06Å; E92-S96 WeakPolarHBondContact O-CB 3.19Å; E92-S96 PolarHBondContact O-N 2.88Å
93T61.7Low59.3Low88 Ų88115.8 Ų115.854%0.5460%0.598SS.*Hα-helixtrans-69.3-34.2173.246.80000112.2Q89 K90 A97Q89-T93 WeakPolarHBondContact O-CB 3.26Å; Q89-T93 VanDerWaalsContact O-CG2 3.28Å; Q89-T93 WeakPolarHBondContact O-CG2 3.04Å; Q89-T93 PolarHBondContact O-N 3.28Å; Q89-T93 PolarHBondContact O-OG1 3.49Å; K90-T93 VanDerWaalsContact CA-OG1 3.3Å; K90-T93 WeakPolarHBondContact CA-OG1 3.16Å; K90-T93 PolarHBondContact O-OG1 3.44Å; K90-T93 VanDerWaalsContact O-OG1 3.06Å; T93-A97 WeakPolarHBondContact O-CB 3.39Å; T93-A97 PolarHBondContact O-N 3.12Å
94L61.3Low60.1Low107 Ų107112 Ų11256%0.5658%0.581SS**Hα-helixtrans-72.9-38172.8-73.4174.8000112.6K90 Q91 A97 A98K90-L94 HydrophobicContact CG-CD1 4.34Å; K90-L94 WeakPolarHBondContact O-CB 3.5Å; K90-L94 WeakPolarHBondContact O-CG 3.23Å; K90-L94 PolarHBondContact O-N 3.37Å; Q91-L94 PolarHBondContact O-N 2.91Å; L94-A97 PolarHBondContact O-N 3.23Å; L94-A98 WeakPolarHBondContact O-CB 3.01Å; L94-A98 PolarHBondContact O-N 3.45Å
95L61.2Low61.3Low105 Ų105108.8 Ų108.855%0.5556%0.564SS.*Hα-helixtrans-67.9-38.7173.5-69.4173.1000110.8Q91 E92 Q99Q91-L95 HydrophobicContact CG-CD1 4.24Å; Q91-L95 WeakPolarHBondContact O-CB 3.37Å; Q91-L95 WeakPolarHBondContact O-CG 3.48Å; Q91-L95 PolarHBondContact O-N 3.39Å; E92-L95 PolarHBondContact O-N 3.06Å; L95-Q99 WeakPolarHBondContact O-CB 3.48Å; L95-Q99 PolarHBondContact O-N 3.32Å
96S66.9Low62.4Low53 Ų53111.9 Ų111.937%0.37157%0.565SS.*Hα-helixtrans-68.3-40.4173-173.70000112E92 Q99 K100E92-S96 WeakPolarHBondContact O-CB 3.19Å; E92-S96 PolarHBondContact O-N 2.88Å; S96-Q99 PolarHBondContact O-N 3.11Å; S96-K100 VanDerWaalsContact O-CB 3.3Å; S96-K100 WeakPolarHBondContact O-CB 3.37Å; S96-K100 WeakPolarHBondContact O-CG 3.25Å; S96-K100 PolarHBondContact O-N 2.77Å
97A65.1Low63.7Low46 Ų46108.2 Ų108.238%0.3855%0.551SS.*Hα-helixtrans-67.1-43.3174.400000111.5T93 L94 Q99 K100 V101T93-A97 WeakPolarHBondContact O-CB 3.39Å; T93-A97 PolarHBondContact O-N 3.12Å; L94-A97 PolarHBondContact O-N 3.23Å; A97-Q99 VanDerWaalsContact C-N 3.33Å; A97-Q99 PolarHBondContact O-N 3.33Å; A97-K100 PolarHBondContact O-N 3.44Å; A97-V101 WeakPolarHBondContact O-CB 3.39Å; A97-V101 WeakPolarHBondContact O-CG2 3.41Å; A97-V101 PolarHBondContact O-N 3.02Å
98A66.6Low65.2Low60 Ų60104.8 Ų104.850%0.49654%0.542SS..Hα-helixtrans-65-37.4174.800000111.7L94 V101 K102L94-A98 WeakPolarHBondContact O-CB 3.01Å; L94-A98 PolarHBondContact O-N 3.45Å; A98-V101 PolarHBondContact O-N 2.9Å; A98-K102 VanDerWaalsContact O-CB 3.22Å; A98-K102 WeakPolarHBondContact O-CB 3.5Å; A98-K102 PolarHBondContact O-N 2.73Å
99Q65.6Low66.8Low119 Ų119104.5 Ų104.556%0.55654%0.543SS*.Hα-helixtrans-69.4-40175.1-171.5174.2-32.700111.6L95 S96 A97 K102 E103L95-Q99 WeakPolarHBondContact O-CB 3.48Å; L95-Q99 PolarHBondContact O-N 3.32Å; S96-Q99 PolarHBondContact O-N 3.11Å; A97-Q99 VanDerWaalsContact C-N 3.33Å; A97-Q99 PolarHBondContact O-N 3.33Å; Q99-K102 CarbonylContact O-C 3.6Å; Q99-K102 WeakPolarHBondContact O-CB 3.4Å; Q99-K102 PolarHBondContact O-N 2.98Å; Q99-E103 WeakPolarHBondContact O-CB 3.02Å; Q99-E103 PolarHBondContact O-N 3.16Å
100K67.1Low68.5Low139 Ų139105.1 Ų105.160%0.60454%0.541SS*.Hα-helixtrans-64.2-39.6172.3-76.6176-177.9-169.60112.5S96 A97 K102 E103 A104S96-K100 VanDerWaalsContact O-CB 3.3Å; S96-K100 WeakPolarHBondContact O-CB 3.37Å; S96-K100 WeakPolarHBondContact O-CG 3.25Å; S96-K100 PolarHBondContact O-N 2.77Å; A97-K100 PolarHBondContact O-N 3.44Å; K100-K102 VanDerWaalsContact C-N 3.34Å; K100-E103 PolarHBondContact O-N 3.29Å; K100-A104 VanDerWaalsContact O-CB 3.31Å; K100-A104 WeakPolarHBondContact O-CB 3.2Å; K100-A104 PolarHBondContact O-N 2.84Å
101V67.9Low70.3Confident106 Ų106104.7 Ų104.764%0.64254%0.54SS*.Hα-helixtrans-67.3-37.4173.7170.90000110.7A97 A98 A104 G105A97-V101 WeakPolarHBondContact O-CB 3.39Å; A97-V101 WeakPolarHBondContact O-CG2 3.41Å; A97-V101 PolarHBondContact O-N 3.02Å; A98-V101 PolarHBondContact O-N 2.9Å; V101-A104 PolarHBondContact O-N 2.89Å; V101-G105 PolarHBondContact O-N 3.07Å
102K66.1Low72.1Confident164 Ų164102.2 Ų102.271%0.71353%0.532SS*.Hα-helixtrans-69.1-35.2176.4-166.5176-176.8-177.10112.3A98 Q99 K100A98-K102 VanDerWaalsContact O-CB 3.22Å; A98-K102 WeakPolarHBondContact O-CB 3.5Å; A98-K102 PolarHBondContact O-N 2.73Å; Q99-K102 CarbonylContact O-C 3.6Å; Q99-K102 WeakPolarHBondContact O-CB 3.4Å; Q99-K102 PolarHBondContact O-N 2.98Å; K100-K102 VanDerWaalsContact C-N 3.34Å
103E66.3Low73.8Confident109 Ų109100.6 Ų100.651%0.50953%0.531SS..Hα-helixtrans-69.6-47.1171.8-80.8170-179.100111.3Q99 K100 G105 R106 D107Q99-E103 WeakPolarHBondContact O-CB 3.02Å; Q99-E103 PolarHBondContact O-N 3.16Å; K100-E103 PolarHBondContact O-N 3.29Å; E103-G105 PolarHBondContact O-N 3.37Å; E103-R106 WeakPolarHBondContact O-CB 3.49Å; E103-R106 PolarHBondContact O-N 2.76Å; E103-D107 PolarHBondContact O-N 2.8Å
104A67.3Low75.4Confident57 Ų57100.3 Ų100.347%0.47153%0.529SS..Hα-helixtrans-61.1-30.7175.700000113.1K100 V101 R106 D107 F108K100-A104 VanDerWaalsContact O-CB 3.31Å; K100-A104 WeakPolarHBondContact O-CB 3.2Å; K100-A104 PolarHBondContact O-N 2.84Å; V101-A104 PolarHBondContact O-N 2.89Å; A104-R106 VanDerWaalsContact C-N 3.29Å; A104-R106 PolarHBondContact O-N 3.35Å; A104-D107 PolarHBondContact O-N 3.45Å; A104-F108 PolarHBondContact O-N 3.24Å
105G72.3Confident77.1Confident36 Ų36100.9 Ų100.937%0.37153%0.532SS..Hα-helixtrans-66-28.3173.500000113.8V101 E103 T109V101-G105 PolarHBondContact O-N 3.07Å; E103-G105 PolarHBondContact O-N 3.37Å; G105-T109 PolarHBondContact O-N 3.15Å; G105-T109 PolarHBondContact O-OG1 3.03Å; G105-T109 VanDerWaalsContact O-OG1 3.08Å
106R73.3Confident78.8Confident165 Ų165100 Ų10062%0.62353%0.531SS*.Hα-helixtrans-73.1-40.4174.9-64.8-179.770.9179.71.4111E103 A104 F108 T109 Y110E103-R106 WeakPolarHBondContact O-CB 3.49Å; E103-R106 PolarHBondContact O-N 2.76Å; A104-R106 VanDerWaalsContact C-N 3.29Å; A104-R106 PolarHBondContact O-N 3.35Å; R106-F108 VanDerWaalsContact C-N 3.33Å; R106-F108 PolarHBondContact O-N 2.69Å; R106-T109 WeakPolarHBondContact O-CB 3.37Å; R106-T109 PolarHBondContact O-N 3.09Å; R106-Y110 VanDerWaalsContact O-CD2 3.23Å; R106-Y110 WeakPolarHBondContact O-CD2 3.46Å; R106-Y110 PolarHBondContact O-N 3.46Å
107D77.3Confident80.3Confident93 Ų9399.1 Ų99.150%0.49753%0.53SS..Hα-helixtrans-64.3-40.5175.4-68.8-16.8000111.4E103 A104 T109 Y110 F111E103-D107 PolarHBondContact O-N 2.8Å; A104-D107 PolarHBondContact O-N 3.45Å; D107-T109 PolarHBondContact O-N 3.16Å; D107-Y110 PolarHBondContact O-N 2.94Å; D107-Y110 VanDerWaalsContact O-N 3.08Å; D107-F111 HydrophobicContact CB-CD2 4.46Å; D107-F111 HydrophobicContact CB-CE2 4.3Å; D107-F111 WeakPolarHBondContact O-CD2 3.04Å; D107-F111 PolarHBondContact O-N 2.8Å
108F86.3Confident81.8Confident140 Ų140102.2 Ų102.261%0.61454%0.539SS*.Hα-helixtrans-57.1-37.3174.7-172-100.4000112.5A104 R106 Y110 F111 V112A104-F108 PolarHBondContact O-N 3.24Å; R106-F108 VanDerWaalsContact C-N 3.33Å; R106-F108 PolarHBondContact O-N 2.69Å; F108-Y110 PolarHBondContact O-N 2.62Å; F108-F111 PolarHBondContact O-N 2.91Å; F108-V112 HydrophobicContact CD1-CG2 3.93Å; F108-V112 HydrophobicContact CE1-CG2 3.56Å; F108-V112 HydrophobicContact CZ-CG2 3.9Å; F108-V112 WeakPolarHBondContact O-CG2 3.37Å; F108-V112 PolarHBondContact O-N 2.83Å
109T86.7Confident83.3Confident84 Ų84101.6 Ų101.652%0.51554%0.539SS..Hα-helixtrans-62.6-43.2177.1-54.40000111.2G105 R106 D107 V112 V113G105-T109 PolarHBondContact O-N 3.15Å; G105-T109 PolarHBondContact O-OG1 3.03Å; G105-T109 VanDerWaalsContact O-OG1 3.08Å; R106-T109 WeakPolarHBondContact O-CB 3.37Å; R106-T109 PolarHBondContact O-N 3.09Å; D107-T109 PolarHBondContact O-N 3.16Å; T109-V112 PolarHBondContact O-N 3.41Å; T109-V113 WeakPolarHBondContact O-CG2 3.39Å; T109-V113 PolarHBondContact O-N 2.79Å; T109-V113 VanDerWaalsContact O-N 3.15Å
110Y89.4Confident84.8Confident146 Ų146100.8 Ų100.857%0.57354%0.541SS*.Hα-helixtrans-66.9-40175.5-60.9-60.7000112.1R106 D107 F108 V112 V113 V114R106-Y110 VanDerWaalsContact O-CD2 3.23Å; R106-Y110 WeakPolarHBondContact O-CD2 3.46Å; R106-Y110 PolarHBondContact O-N 3.46Å; D107-Y110 PolarHBondContact O-N 2.94Å; D107-Y110 VanDerWaalsContact O-N 3.08Å; F108-Y110 PolarHBondContact O-N 2.62Å; Y110-V112 VanDerWaalsContact C-N 3.35Å; Y110-V112 PolarHBondContact O-N 2.88Å; Y110-V113 PolarHBondContact O-N 2.91Å; Y110-V114 VanDerWaalsContact O-CG2 3.3Å; Y110-V114 WeakPolarHBondContact O-CG2 3.35Å; Y110-V114 PolarHBondContact O-N 2.91Å
111F93.1Very high86.1Confident135 Ų13598.7 Ų98.759%0.59254%0.54SS*.Hα-helixtrans-59.4-43.2174.5-79.4-70.6000112.4D107 F108 V113 V114 L115D107-F111 HydrophobicContact CB-CD2 4.46Å; D107-F111 HydrophobicContact CB-CE2 4.3Å; D107-F111 WeakPolarHBondContact O-CD2 3.04Å; D107-F111 PolarHBondContact O-N 2.8Å; F108-F111 PolarHBondContact O-N 2.91Å; F111-V113 PolarHBondContact O-N 3.12Å; F111-V114 PolarHBondContact O-N 3.34Å; F111-L115 WeakPolarHBondContact O-CB 3.39Å; F111-L115 WeakPolarHBondContact O-CG 2.99Å; F111-L115 PolarHBondContact O-N 2.75Å
112V94.3Very high87.5Confident64 Ų6495.6 Ų95.639%0.38853%0.53SS..Hα-helixtrans-60.8-46.3176.7171.50000110.7F108 T109 Y110 V114 L115 V116F108-V112 HydrophobicContact CD1-CG2 3.93Å; F108-V112 HydrophobicContact CE1-CG2 3.56Å; F108-V112 HydrophobicContact CZ-CG2 3.9Å; F108-V112 WeakPolarHBondContact O-CG2 3.37Å; F108-V112 PolarHBondContact O-N 2.83Å; T109-V112 PolarHBondContact O-N 3.41Å; Y110-V112 VanDerWaalsContact C-N 3.35Å; Y110-V112 PolarHBondContact O-N 2.88Å; V112-V114 VanDerWaalsContact C-N 3.33Å; V112-V114 PolarHBondContact O-N 2.98Å; V112-L115 PolarHBondContact O-N 3.03Å; V112-V116 HydrophobicContact CG1-CG2 4.49Å; V112-V116 VanDerWaalsContact O-CG2 3.32Å; V112-V116 WeakPolarHBondContact O-CG2 3.43Å; V112-V116 PolarHBondContact O-N 2.94Å
113V94.6Very high88.9Confident96 Ų9689.5 Ų89.558%0.58251%0.514SS*.Hα-helixtrans-61.5-41.8178.2174.80000111.3T109 Y110 F111 V116 G117T109-V113 WeakPolarHBondContact O-CG2 3.39Å; T109-V113 PolarHBondContact O-N 2.79Å; T109-V113 VanDerWaalsContact O-N 3.15Å; Y110-V113 PolarHBondContact O-N 2.91Å; F111-V113 PolarHBondContact O-N 3.12Å; V113-V116 PolarHBondContact O-N 3.1Å; V113-G117 PolarHBondContact O-N 2.91Å
114V95.8Very high90.2Very high82 Ų8289.5 Ų89.550%0.49752%0.517SS..Hα-helixtrans-64-44.5176.8171.70000111.5Y110 F111 V112 V116 G117 I118Y110-V114 VanDerWaalsContact O-CG2 3.3Å; Y110-V114 WeakPolarHBondContact O-CG2 3.35Å; Y110-V114 PolarHBondContact O-N 2.91Å; F111-V114 PolarHBondContact O-N 3.34Å; V112-V114 VanDerWaalsContact C-N 3.33Å; V112-V114 PolarHBondContact O-N 2.98Å; V114-V116 PolarHBondContact O-N 3.27Å; V114-G117 PolarHBondContact O-N 2.83Å; V114-I118 HydrophobicContact CG1-CD1 3.95Å; V114-I118 WeakPolarHBondContact O-CG1 3.26Å; V114-I118 PolarHBondContact O-N 2.86Å
115L96.9Very high91.4Very high119 Ų11992.6 Ų92.662%0.62352%0.52SS*.Hα-helixtrans-63.1-41.1177.8-73.2174000112F111 V112 G117 I118 G119F111-L115 WeakPolarHBondContact O-CB 3.39Å; F111-L115 WeakPolarHBondContact O-CG 2.99Å; F111-L115 PolarHBondContact O-N 2.75Å; V112-L115 PolarHBondContact O-N 3.03Å; L115-G117 VanDerWaalsContact C-N 3.34Å; L115-I118 PolarHBondContact O-N 2.82Å; L115-G119 PolarHBondContact O-N 3.03Å
116V97Very high92.3Very high88 Ų8898.2 Ų98.253%0.53353%0.531SS..Hα-helixtrans-62-44.2173.8172.10000110.5V112 V113 V114 I118 G119 V120V112-V116 HydrophobicContact CG1-CG2 4.49Å; V112-V116 VanDerWaalsContact O-CG2 3.32Å; V112-V116 WeakPolarHBondContact O-CG2 3.43Å; V112-V116 PolarHBondContact O-N 2.94Å; V113-V116 PolarHBondContact O-N 3.1Å; V114-V116 PolarHBondContact O-N 3.27Å; V116-I118 PolarHBondContact O-N 2.88Å; V116-G119 PolarHBondContact O-N 3.42Å; V116-V120 HydrophobicContact CG1-CG2 4.31Å; V116-V120 WeakPolarHBondContact O-CG2 3.48Å; V116-V120 PolarHBondContact O-N 2.81Å
117G96.9Very high93.1Very high34 Ų3494.5 Ų94.535%0.35153%0.526SS..Hα-helixtrans-59-45.3176.900000113V113 V114 L115 T121V113-G117 PolarHBondContact O-N 2.91Å; V114-G117 PolarHBondContact O-N 2.83Å; L115-G117 VanDerWaalsContact C-N 3.34Å; G117-T121 VanDerWaalsContact O-CB 3.26Å; G117-T121 WeakPolarHBondContact O-CB 3.11Å; G117-T121 PolarHBondContact O-N 2.92Å; G117-T121 PolarHBondContact O-OG1 2.85Å
118I97.4Very high93.5Very high110 Ų11093.7 Ų93.756%0.56452%0.521SS*.Hα-helixtrans-66.3-40175.6-65.4169.1000110.8V114 L115 V116 G122V114-I118 HydrophobicContact CG1-CD1 3.95Å; V114-I118 WeakPolarHBondContact O-CG1 3.26Å; V114-I118 PolarHBondContact O-N 2.86Å; L115-I118 PolarHBondContact O-N 2.82Å; V116-I118 PolarHBondContact O-N 2.88Å; I118-G122 WeakPolarHBondContact O-CA 3.41Å; I118-G122 PolarHBondContact O-N 2.88Å
119G97.4Very high93.2Very high48 Ų4891.2 Ų91.250%0.49551%0.51SS..Hα-helixtrans-62.2-48.517800000112.6L115 V116 G123L115-G119 PolarHBondContact O-N 3.03Å; V116-G119 PolarHBondContact O-N 3.42Å; G119-G123 PolarHBondContact O-N 3.13Å
120V96.9Very high92.9Very high101 Ų10193 Ų9361%0.61251%0.511SS*.Hα-helixtrans-65.3-48.3178.21750000110.7V116 G123 L124V116-V120 HydrophobicContact CG1-CG2 4.31Å; V116-V120 WeakPolarHBondContact O-CG2 3.48Å; V116-V120 PolarHBondContact O-N 2.81Å; V120-G123 PolarHBondContact O-N 3.27Å; V120-L124 PolarHBondContact O-N 2.79Å
121T96.2Very high92.1Very high95 Ų9592.8 Ų92.858%0.58352%0.515SS*.Hα-helixtrans-65.5-45.3-178.8-52.80000111.2G117 F125G117-T121 VanDerWaalsContact O-CB 3.26Å; G117-T121 WeakPolarHBondContact O-CB 3.11Å; G117-T121 PolarHBondContact O-N 2.92Å; G117-T121 PolarHBondContact O-OG1 2.85Å; T121-F125 VanDerWaalsContact O-CB 3.23Å; T121-F125 WeakPolarHBondContact O-CB 3.46Å; T121-F125 PolarHBondContact O-N 2.91Å
122G96.3Very high91Very high41 Ų4191.9 Ų91.942%0.42352%0.516SS..Hα-helixtrans-66.2-39.5178.400000112.7I118 Y126I118-G122 WeakPolarHBondContact O-CA 3.41Å; I118-G122 PolarHBondContact O-N 2.88Å; G122-Y126 VanDerWaalsContact O-CB 3.24Å; G122-Y126 WeakPolarHBondContact O-CB 3.22Å; G122-Y126 PolarHBondContact O-N 3.43Å
123G95.6Very high89.3Confident36 Ų3694.8 Ų94.837%0.37152%0.524SS..Hα-helixtrans-63.6-47.7175.500000112.6G119 V120 Y126 V127G119-G123 PolarHBondContact O-N 3.13Å; V120-G123 PolarHBondContact O-N 3.27Å; G123-Y126 WeakPolarHBondContact O-CB 3.4Å; G123-Y126 PolarHBondContact O-N 3.29Å; G123-V127 WeakPolarHBondContact O-CG2 3.3Å; G123-V127 PolarHBondContact O-N 2.88Å
124L93.8Very high87.8Confident110 Ų11092.9 Ų92.958%0.57652%0.515SS*.Hα-helixtrans-63.1-45.9176.9179.961.6000111.5V120 Y126 V127 I128V120-L124 PolarHBondContact O-N 2.79Å; L124-Y126 VanDerWaalsContact C-N 3.29Å; L124-Y126 PolarHBondContact O-N 2.81Å; L124-V127 PolarHBondContact O-N 3.44Å; L124-I128 HydrophobicContact CD1-CD1 4.13Å; L124-I128 HydrophobicContact CD1-CG1 4.47Å; L124-I128 HydrophobicContact CG-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CG1 3.38Å; L124-I128 PolarHBondContact O-N 3.01Å
125F93.2Very high85.9Confident122 Ų12290.2 Ų90.254%0.53550%0.5SS..Hα-helixtrans-60.4-41.1177-161.9-97.9000111T121 V127 I128 F129T121-F125 VanDerWaalsContact O-CB 3.23Å; T121-F125 WeakPolarHBondContact O-CB 3.46Å; T121-F125 PolarHBondContact O-N 2.91Å; F125-V127 PolarHBondContact O-N 3.43Å; F125-I128 PolarHBondContact O-N 3.43Å; F125-F129 AromaticContact CD1-CD2 3.46Å; F125-F129 HydrophobicContact CD1-CD2 3.46Å; F125-F129 VanDerWaalsContact CD1-CD2 3.46Å; F125-F129 AromaticContact CD1-CE2 3.56Å; F125-F129 HydrophobicContact CD1-CE2 3.56Å; F125-F129 HydrophobicContact CD1-CG 4.23Å; F125-F129 HydrophobicContact CD1-CZ 4.34Å; F125-F129 HydrophobicContact CD2-CD2 4.17Å; F125-F129 AromaticContact CD2-CE2 3.79Å; F125-F129 HydrophobicContact CD2-CE2 3.79Å; F125-F129 HydrophobicContact CE1-CD1 4.44Å; F125-F129 AromaticContact CE1-CD2 3.39Å; F125-F129 HydrophobicContact CE1-CD2 3.39Å; F125-F129 HydrophobicContact CE1-CE1 4.13Å; F125-F129 AromaticContact CE1-CE2 3.04Å; F125-F129 HydrophobicContact CE1-CE2 3.04Å; F125-F129 HydrophobicContact CE1-CG 4.1Å; F125-F129 AromaticContact CE1-CZ 3.43Å; F125-F129 HydrophobicContact CE1-CZ 3.43Å; F125-F129 VanDerWaalsContact CE1-CZ 3.43Å; F125-F129 HydrophobicContact CE2-CD2 4.11Å; F125-F129 AromaticContact CE2-CE2 3.31Å; F125-F129 HydrophobicContact CE2-CE2 3.31Å; F125-F129 AromaticContact CE2-CZ 4Å; F125-F129 HydrophobicContact CE2-CZ 4Å; F125-F129 AromaticContact CG-CD2 3.88Å; F125-F129 HydrophobicContact CG-CD2 3.88Å; F125-F129 AromaticContact CG-CE2 3.93Å; F125-F129 HydrophobicContact CG-CE2 3.93Å; F125-F129 AromaticContact CZ-CD2 3.77Å; F125-F129 HydrophobicContact CZ-CD2 3.77Å; F125-F129 HydrophobicContact CZ-CE1 4.31Å; F125-F129 AromaticContact CZ-CE2 2.92Å; F125-F129 HydrophobicContact CZ-CE2 2.92Å; F125-F129 AromaticContact CZ-CZ 3.24Å; F125-F129 HydrophobicContact CZ-CZ 3.24Å; F125-F129 WeakPolarHBondContact O-CB 3.31Å; F125-F129 VanDerWaalsContact O-CD2 3.23Å; F125-F129 WeakPolarHBondContact O-CD2 3.47Å; F125-F129 PolarHBondContact O-N 3.11Å
126Y90.1Very high84.3Confident153 Ų15386.5 Ų86.560%0.648%0.484SS*.Hα-helixtrans-60.2-45.2175.7177.7-96.3000112.3G122 G123 L124 F129 K130G122-Y126 VanDerWaalsContact O-CB 3.24Å; G122-Y126 WeakPolarHBondContact O-CB 3.22Å; G122-Y126 PolarHBondContact O-N 3.43Å; G123-Y126 WeakPolarHBondContact O-CB 3.4Å; G123-Y126 PolarHBondContact O-N 3.29Å; L124-Y126 VanDerWaalsContact C-N 3.29Å; L124-Y126 PolarHBondContact O-N 2.81Å; Y126-F129 PolarHBondContact O-N 2.93Å; Y126-K130 HydrophobicContact CE1-CD 3.96Å; Y126-K130 WeakPolarHBondContact O-CB 3.4Å; Y126-K130 PolarHBondContact O-N 3.32Å
127V89.5Confident83.3Confident87 Ų8783.1 Ų83.153%0.52746%0.464SS..Hα-helixtrans-62.6-45.6178.2173.90000111.1G123 L124 F125 K130 E131G123-V127 WeakPolarHBondContact O-CG2 3.3Å; G123-V127 PolarHBondContact O-N 2.88Å; L124-V127 PolarHBondContact O-N 3.44Å; F125-V127 PolarHBondContact O-N 3.43Å; V127-K130 PolarHBondContact O-N 3.45Å; V127-E131 WeakPolarHBondContact O-CB 3.38Å; V127-E131 PolarHBondContact O-N 3.36Å
128I85.8Confident82.7Confident77 Ų7782.7 Ų82.740%0.39546%0.455SS..Hα-helixtrans-63.9-46.6179.5-64.8166.4000111.1L124 F125 K130 E131 L132L124-I128 HydrophobicContact CD1-CD1 4.13Å; L124-I128 HydrophobicContact CD1-CG1 4.47Å; L124-I128 HydrophobicContact CG-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CG1 3.38Å; L124-I128 PolarHBondContact O-N 3.01Å; F125-I128 PolarHBondContact O-N 3.43Å; I128-K130 VanDerWaalsContact C-N 3.33Å; I128-E131 PolarHBondContact O-N 2.96Å; I128-L132 HydrophobicContact CG2-CD1 3.78Å; I128-L132 HydrophobicContact CG2-CG 4.35Å; I128-L132 WeakPolarHBondContact O-CB 3.33Å; I128-L132 WeakPolarHBondContact O-CG 3.43Å; I128-L132 PolarHBondContact O-N 3.17Å
129F80.7Confident82.1Confident88 Ų8881.3 Ų81.339%0.38646%0.455SS..Hα-helixtrans-65.2-41178.1-89.4-102.9000111.4F125 Y126 E131 F133F125-F129 AromaticContact CD1-CD2 3.46Å; F125-F129 HydrophobicContact CD1-CD2 3.46Å; F125-F129 VanDerWaalsContact CD1-CD2 3.46Å; F125-F129 AromaticContact CD1-CE2 3.56Å; F125-F129 HydrophobicContact CD1-CE2 3.56Å; F125-F129 HydrophobicContact CD1-CG 4.23Å; F125-F129 HydrophobicContact CD1-CZ 4.34Å; F125-F129 HydrophobicContact CD2-CD2 4.17Å; F125-F129 AromaticContact CD2-CE2 3.79Å; F125-F129 HydrophobicContact CD2-CE2 3.79Å; F125-F129 HydrophobicContact CE1-CD1 4.44Å; F125-F129 AromaticContact CE1-CD2 3.39Å; F125-F129 HydrophobicContact CE1-CD2 3.39Å; F125-F129 HydrophobicContact CE1-CE1 4.13Å; F125-F129 AromaticContact CE1-CE2 3.04Å; F125-F129 HydrophobicContact CE1-CE2 3.04Å; F125-F129 HydrophobicContact CE1-CG 4.1Å; F125-F129 AromaticContact CE1-CZ 3.43Å; F125-F129 HydrophobicContact CE1-CZ 3.43Å; F125-F129 VanDerWaalsContact CE1-CZ 3.43Å; F125-F129 HydrophobicContact CE2-CD2 4.11Å; F125-F129 AromaticContact CE2-CE2 3.31Å; F125-F129 HydrophobicContact CE2-CE2 3.31Å; F125-F129 AromaticContact CE2-CZ 4Å; F125-F129 HydrophobicContact CE2-CZ 4Å; F125-F129 AromaticContact CG-CD2 3.88Å; F125-F129 HydrophobicContact CG-CD2 3.88Å; F125-F129 AromaticContact CG-CE2 3.93Å; F125-F129 HydrophobicContact CG-CE2 3.93Å; F125-F129 AromaticContact CZ-CD2 3.77Å; F125-F129 HydrophobicContact CZ-CD2 3.77Å; F125-F129 HydrophobicContact CZ-CE1 4.31Å; F125-F129 AromaticContact CZ-CE2 2.92Å; F125-F129 HydrophobicContact CZ-CE2 2.92Å; F125-F129 AromaticContact CZ-CZ 3.24Å; F125-F129 HydrophobicContact CZ-CZ 3.24Å; F125-F129 WeakPolarHBondContact O-CB 3.31Å; F125-F129 VanDerWaalsContact O-CD2 3.23Å; F125-F129 WeakPolarHBondContact O-CD2 3.47Å; F125-F129 PolarHBondContact O-N 3.11Å; Y126-F129 PolarHBondContact O-N 2.93Å; F129-E131 VanDerWaalsContact C-N 3.34Å; F129-F133 HydrophobicContact CB-CD2 4.49Å; F129-F133 AromaticContact CD1-CD2 3.79Å; F129-F133 HydrophobicContact CD1-CD2 3.79Å; F129-F133 AromaticContact CD1-CE2 3.63Å; F129-F133 HydrophobicContact CD1-CE2 3.63Å; F129-F133 HydrophobicContact CE1-CD2 4.42Å; F129-F133 AromaticContact CE1-CE2 3.79Å; F129-F133 HydrophobicContact CE1-CE2 3.79Å; F129-F133 HydrophobicContact CG-CD2 4.44Å; F129-F133 VanDerWaalsContact O-CB 3.27Å; F129-F133 WeakPolarHBondContact O-CB 3.48Å; F129-F133 WeakPolarHBondContact O-CD2 3.3Å; F129-F133 PolarHBondContact O-N 3.3Å
130K79.6Confident81.6Confident120 Ų12084.6 Ų84.652%0.52246%0.456SS..Hα-helixtrans-60.1-47.5173.8-173.7-179.7171.4-177.90109.4Y126 V127 I128 S134Y126-K130 HydrophobicContact CE1-CD 3.96Å; Y126-K130 WeakPolarHBondContact O-CB 3.4Å; Y126-K130 PolarHBondContact O-N 3.32Å; V127-K130 PolarHBondContact O-N 3.45Å; I128-K130 VanDerWaalsContact C-N 3.33Å; K130-S134 WeakPolarHBondContact O-CA 3.2Å; K130-S134 WeakPolarHBondContact O-CB 3.42Å; K130-S134 PolarHBondContact O-N 3.16Å
131E72.2Confident81.3Confident143 Ų14380.3 Ų80.367%0.66843%0.429SS*.Hα-helixtrans-64.7-46.4-178.8-161.665.2-168.700112.6V127 I128 F129V127-E131 WeakPolarHBondContact O-CB 3.38Å; V127-E131 PolarHBondContact O-N 3.36Å; I128-E131 PolarHBondContact O-N 2.96Å; F129-E131 VanDerWaalsContact C-N 3.34Å
132L71.9Confident81Confident116 Ų11678 Ų7861%0.60741%0.41SS*.Hα-helixtrans-72.9-30.6-177.2-68.8177.2000113.6I128 S137I128-L132 HydrophobicContact CG2-CD1 3.78Å; I128-L132 HydrophobicContact CG2-CG 4.35Å; I128-L132 WeakPolarHBondContact O-CB 3.33Å; I128-L132 WeakPolarHBondContact O-CG 3.43Å; I128-L132 PolarHBondContact O-N 3.17Å; L132-S137 WeakPolarHBondContact O-CB 3.42Å
133F58.3Low80.8Confident124 Ų12477.5 Ų77.554%0.54441%0.405SS..Hα-helixtrans-104.31.1178-66.4-83.6000113.2F129 S135F129-F133 HydrophobicContact CB-CD2 4.49Å; F129-F133 AromaticContact CD1-CD2 3.79Å; F129-F133 HydrophobicContact CD1-CD2 3.79Å; F129-F133 AromaticContact CD1-CE2 3.63Å; F129-F133 HydrophobicContact CD1-CE2 3.63Å; F129-F133 HydrophobicContact CE1-CD2 4.42Å; F129-F133 AromaticContact CE1-CE2 3.79Å; F129-F133 HydrophobicContact CE1-CE2 3.79Å; F129-F133 HydrophobicContact CG-CD2 4.44Å; F129-F133 VanDerWaalsContact O-CB 3.27Å; F129-F133 WeakPolarHBondContact O-CB 3.48Å; F129-F133 WeakPolarHBondContact O-CD2 3.3Å; F129-F133 PolarHBondContact O-N 3.3Å; F133-S135 PolarHBondContact O-N 2.96Å
134S62.5Low80.6Confident57 Ų5779.4 Ų79.440%0.39941%0.407SS..SBendtrans-77.295.1177.6171.90000109.3K130 S136K130-S134 WeakPolarHBondContact O-CA 3.2Å; K130-S134 WeakPolarHBondContact O-CB 3.42Å; K130-S134 PolarHBondContact O-N 3.16Å; S134-S136 PolarHBondContact O-N 2.88Å; S134-S136 PolarHBondContact O-OG 2.91Å
135S55.9Low80.6Confident26 Ų2674.3 Ų74.318%0.18238%0.381CS..SBendtrans56.2-15.7164-1460000118.3F133 F221F133-S135 PolarHBondContact O-N 2.96Å; S135-F221 WeakPolarHBondContact O-CD2 3.23Å
136S62.8Low80.6Confident41 Ų4169.1 Ų69.129%0.28736%0.359SS..  trans-106.11.2-171.9-39.20000112.8S134 F221S134-S136 PolarHBondContact O-N 2.88Å; S134-S136 PolarHBondContact O-OG 2.91Å; S136-F221 VanDerWaalsContact CB-CE2 3.43Å; S136-F221 VanDerWaalsContact OG-CE2 3.27Å; S136-F221 WeakPolarHBondContact OG-CE2 3.21Å
137S76.1Confident80.8Confident17 Ų1768 Ų6812%0.11936%0.359CS..  trans-77.8128.4-176.5-170.70000111L132 S139 K140L132-S137 WeakPolarHBondContact O-CB 3.42Å; S137-S139 PolarHBondContact O-N 2.86Å; S137-S139 VanDerWaalsContact O-N 3.14Å; S137-K140 PolarHBondContact O-N 2.86Å
138P84Confident81Confident25 Ų2567 Ų6716%0.16235%0.347CS..Hα-helixtrans-54.7-33.1175.4-25.131.7000113.4K140 I141 Y142 H180 M191 L193P138-K140 PolarHBondContact O-N 2.67Å; P138-I141 PolarHBondContact O-N 2.84Å; P138-Y142 VanDerWaalsContact O-CB 3.32Å; P138-Y142 WeakPolarHBondContact O-CB 3.3Å; P138-Y142 PolarHBondContact O-N 3.46Å; P138-H180 HydrophobicContact CB-CB 4.09Å; P138-H180 HydrophobicContact CG-CB 4.06Å; P138-M191 HydrophobicContact CB-SD 4.42Å; P138-M191 HydrophobicContact CG-CE 4.47Å; P138-M191 HydrophobicContact CG-SD 3.86Å; P138-L193 HydrophobicContact CB-CD2 4.03Å; P138-L193 WeakPolarHBondContact O-CD2 3.46Å
139S85.4Confident81.4Confident81 Ų8163.3 Ų63.357%0.56633%0.328SS*.Hα-helixtrans-65.3-36.4-177.5-58.80000113.1S137 G143S137-S139 PolarHBondContact O-N 2.86Å; S137-S139 VanDerWaalsContact O-N 3.14Å; S139-G143 PolarHBondContact O-N 2.88Å; S139-G143 VanDerWaalsContact O-N 3.07Å
140K86.9Confident82Confident117 Ų11765 Ų6551%0.50933%0.332SS..Hα-helixtrans-69.4-48179-175.4173.3-179.7171.80110.6S137 P138 Y142 G143 D144S137-K140 PolarHBondContact O-N 2.86Å; P138-K140 PolarHBondContact O-N 2.67Å; K140-Y142 VanDerWaalsContact C-N 3.29Å; K140-Y142 PolarHBondContact O-N 2.91Å; K140-G143 PolarHBondContact O-N 3.41Å; K140-G143 VanDerWaalsContact O-N 3.09Å; K140-D144 VanDerWaalsContact O-CG 3.3Å; K140-D144 PolarHBondContact O-N 3.25Å
141I89.9Confident82.6Confident11 Ų1163.3 Ų63.36%0.05634%0.335CS..Hα-helixtrans-64.2-36.6178.8-67.7154.2000111.2P138 A145 M191 L193 V210 V212 F221P138-I141 PolarHBondContact O-N 2.84Å; I141-A145 WeakPolarHBondContact O-CB 3.47Å; I141-A145 PolarHBondContact O-N 3.24Å; I141-M191 HydrophobicContact CD1-CE 3.09Å; I141-M191 HydrophobicContact CG1-CE 4.46Å; I141-L193 HydrophobicContact CB-CD1 4.33Å; I141-L193 HydrophobicContact CB-CD2 4.07Å; I141-L193 HydrophobicContact CG2-CD1 3.63Å; I141-L193 HydrophobicContact CG2-CD2 3.94Å; I141-L193 HydrophobicContact CG2-CG 4.44Å; I141-V210 HydrophobicContact CG2-CG1 3.99Å; I141-V212 HydrophobicContact CD1-CG1 4.27Å; I141-V212 HydrophobicContact CD1-CG2 3.78Å; I141-V212 HydrophobicContact CG1-CG1 4.31Å; I141-V212 HydrophobicContact CG2-CG1 3.63Å; I141-F221 HydrophobicContact CD1-CB 4.23Å; I141-F221 HydrophobicContact CD1-CG 4.33Å
142Y91.1Very high83.7Confident45 Ų4558.3 Ų58.318%0.17631%0.312CS..Hα-helixtrans-59.7-47.2171166-99.2000112.2P138 K140 A145 L146 G165 V178 F195P138-Y142 VanDerWaalsContact O-CB 3.32Å; P138-Y142 WeakPolarHBondContact O-CB 3.3Å; P138-Y142 PolarHBondContact O-N 3.46Å; K140-Y142 VanDerWaalsContact C-N 3.29Å; K140-Y142 PolarHBondContact O-N 2.91Å; Y142-A145 PolarHBondContact O-N 3.09Å; Y142-L146 HydrophobicContact CE1-CD2 4.27Å; Y142-L146 VanDerWaalsContact O-CB 3.27Å; Y142-L146 WeakPolarHBondContact O-CB 3.46Å; Y142-L146 PolarHBondContact O-N 2.86Å; Y142-G165 WeakPolarHBondContact OH-CA 3.34Å; Y142-G165 PolarHBondContact OH-O 3.39Å; Y142-V178 HydrophobicContact CD1-CG2 4.37Å; Y142-V178 HydrophobicContact CD2-CG1 4.48Å; Y142-V178 HydrophobicContact CD2-CG2 3.55Å; Y142-V178 HydrophobicContact CE2-CG2 4.01Å; Y142-V178 HydrophobicContact CG-CG2 3.74Å; Y142-F195 HydrophobicContact CD2-CB 4.03Å; Y142-F195 AromaticContact CD2-CD1 3.73Å; Y142-F195 HydrophobicContact CD2-CD1 3.73Å; Y142-F195 AromaticContact CD2-CD2 3.97Å; Y142-F195 HydrophobicContact CD2-CD2 3.97Å; Y142-F195 HydrophobicContact CD2-CE1 4.05Å; Y142-F195 HydrophobicContact CD2-CE2 4.28Å; Y142-F195 AromaticContact CD2-CG 3.66Å; Y142-F195 HydrophobicContact CD2-CG 3.66Å; Y142-F195 HydrophobicContact CD2-CZ 4.31Å; Y142-F195 HydrophobicContact CE2-CB 3.92Å; Y142-F195 HydrophobicContact CE2-CD1 4.2Å; Y142-F195 AromaticContact CE2-CD2 3.58Å; Y142-F195 HydrophobicContact CE2-CD2 3.58Å; Y142-F195 HydrophobicContact CE2-CE2 4.02Å; Y142-F195 AromaticContact CE2-CG 3.66Å; Y142-F195 HydrophobicContact CE2-CG 3.66Å; Y142-F195 HydrophobicContact CE2-CZ 4.49Å
143G91.5Very high84.7Confident31 Ų3157.2 Ų57.232%0.3231%0.312SS..Hα-helixtrans-58.5-51.1177.200000111.8S139 K140 A145 L146 E147S139-G143 PolarHBondContact O-N 2.88Å; S139-G143 VanDerWaalsContact O-N 3.07Å; K140-G143 PolarHBondContact O-N 3.41Å; K140-G143 VanDerWaalsContact O-N 3.09Å; G143-A145 PolarHBondContact O-N 2.98Å; G143-L146 PolarHBondContact O-N 2.73Å; G143-E147 PolarHBondContact O-N 2.76Å
144D91.5Very high86.4Confident77 Ų7756.4 Ų56.441%0.41231%0.31SS..Hα-helixtrans-61.1-43.5179.7-62.3-15.6000111.3K140 E147 K148K140-D144 VanDerWaalsContact O-CG 3.3Å; K140-D144 PolarHBondContact O-N 3.25Å; D144-E147 PolarHBondContact O-N 2.89Å; D144-K148 WeakPolarHBondContact O-CG 3.18Å; D144-K148 PolarHBondContact O-N 2.96Å
145A93.4Very high87.8Confident3 Ų353.7 Ų53.73%0.02529%0.291CS..Hα-helixtrans-67.6-39.7178.200000112.6I141 Y142 G143 E147 K148 C149 F195 V210 I226I141-A145 WeakPolarHBondContact O-CB 3.47Å; I141-A145 PolarHBondContact O-N 3.24Å; Y142-A145 PolarHBondContact O-N 3.09Å; G143-A145 PolarHBondContact O-N 2.98Å; A145-E147 VanDerWaalsContact C-N 3.33Å; A145-K148 PolarHBondContact O-N 3.07Å; A145-C149 PolarHBondContact O-N 3.13Å; A145-C149 PolarHBondContact O-SG 3.31Å; A145-F195 HydrophobicContact CB-CE1 4.01Å; A145-F195 HydrophobicContact CB-CZ 4.02Å; A145-V210 HydrophobicContact CB-CG2 3.66Å; A145-I226 HydrophobicContact CB-CD1 4.13Å
146L93.8Very high89.6Confident13 Ų1354.8 Ų54.87%0.06829%0.294CS..Hα-helixtrans-65.8-37.7176.9-178.364.4000111.3Y142 G143 C149 R150 F195 I197Y142-L146 HydrophobicContact CE1-CD2 4.27Å; Y142-L146 VanDerWaalsContact O-CB 3.27Å; Y142-L146 WeakPolarHBondContact O-CB 3.46Å; Y142-L146 PolarHBondContact O-N 2.86Å; G143-L146 PolarHBondContact O-N 2.73Å; L146-C149 WeakPolarHBondContact O-CB 3.37Å; L146-C149 PolarHBondContact O-N 2.7Å; L146-R150 WeakPolarHBondContact O-CG 3.34Å; L146-R150 PolarHBondContact O-N 3.29Å; L146-F195 HydrophobicContact CD1-CE2 4.29Å; L146-I197 HydrophobicContact CD1-CG2 3.98Å
147E93.8Very high90.9Very high129 Ų12956.7 Ų56.760%0.60331%0.312SS*.Hα-helixtrans-66.5-41174.8-172.5168.6-17100112G143 D144 A145 C149 R150 S151G143-E147 PolarHBondContact O-N 2.76Å; D144-E147 PolarHBondContact O-N 2.89Å; A145-E147 VanDerWaalsContact C-N 3.33Å; E147-C149 VanDerWaalsContact C-N 3.32Å; E147-C149 PolarHBondContact O-N 3.02Å; E147-R150 PolarHBondContact O-N 2.91Å; E147-R150 VanDerWaalsContact O-N 3.16Å; E147-S151 PolarHBondContact O-N 2.67Å; E147-S151 PolarHBondContact O-OG 2.7Å
148K93.6Very high91.7Very high66 Ų6656.4 Ų56.429%0.28731%0.31SS..Hα-helixtrans-60.2-40.7170.5-72.8179.8178.2-172.80112.2D144 A145 R150 S151 H152 I226 I240 E241D144-K148 WeakPolarHBondContact O-CG 3.18Å; D144-K148 PolarHBondContact O-N 2.96Å; A145-K148 PolarHBondContact O-N 3.07Å; K148-R150 VanDerWaalsContact C-N 3.33Å; K148-R150 PolarHBondContact O-N 2.95Å; K148-S151 WeakPolarHBondContact CA-OG 3.2Å; K148-S151 PolarHBondContact O-N 3Å; K148-S151 PolarHBondContact O-OG 3.19Å; K148-H152 WeakPolarHBondContact O-CB 3.44Å; K148-H152 PolarHBondContact O-N 3.44Å; K148-H152 VanDerWaalsContact O-N 3.16Å; K148-I226 HydrophobicContact CB-CD1 4.43Å; K148-I226 HydrophobicContact CD-CD1 3.63Å; K148-I240 HydrophobicContact CB-CG2 4.25Å; K148-E241 IonicContact NZ-OE1 2.7Å; K148-E241 IonicContact NZ-OE2 2.79Å; K148-E241 PolarHBondContact NZ-OE2 2.68Å
149C93.4Very high92Very high0 Ų055.2 Ų55.20%030%0.302CS..Hα-helixtrans-63-39.4174-64.40000112.2A145 L146 E147 S151 I155 I240A145-C149 PolarHBondContact O-N 3.13Å; A145-C149 PolarHBondContact O-SG 3.31Å; L146-C149 WeakPolarHBondContact O-CB 3.37Å; L146-C149 PolarHBondContact O-N 2.7Å; E147-C149 VanDerWaalsContact C-N 3.32Å; E147-C149 PolarHBondContact O-N 3.02Å; C149-S151 VanDerWaalsContact C-N 3.34Å; C149-I155 HydrophobicContact CB-CG2 4.47Å; C149-I155 WeakPolarHBondContact O-CB 2.9Å; C149-I155 VanDerWaalsContact O-CG2 3.26Å; C149-I155 WeakPolarHBondContact O-CG2 3.44Å; C149-I240 HydrophobicContact CB-CD1 4.11Å; C149-I240 WeakPolarHBondContact SG-CD1 3.35Å
150R93.4Very high92.3Very high122 Ų12252.4 Ų52.446%0.4629%0.286SS..Hα-helixtrans-70.2-28.3-179.9-77.4170.9174.4171.9-0.9114L146 E147 K148 I156 I163L146-R150 WeakPolarHBondContact O-CG 3.34Å; L146-R150 PolarHBondContact O-N 3.29Å; E147-R150 PolarHBondContact O-N 2.91Å; E147-R150 VanDerWaalsContact O-N 3.16Å; K148-R150 VanDerWaalsContact C-N 3.33Å; K148-R150 PolarHBondContact O-N 2.95Å; R150-I156 VanDerWaalsContact O-CD1 3.31Å; R150-I156 WeakPolarHBondContact O-CD1 3.46Å; R150-I156 WeakPolarHBondContact O-CG1 3.4Å; R150-I163 HydrophobicContact CG-CB 4.11Å; R150-I163 HydrophobicContact CG-CD1 4.39Å; R150-I163 PolarHBondContact NE-O 2.78Å; R150-I163 VanDerWaalsContact NE-O 3.13Å; R150-I163 PolarHBondContact NH2-O 3.31Å
151S94Very high92.4Very high85 Ų8553.5 Ų53.559%0.59429%0.293SS*.Hα-helixtrans-90.9-14.7179.948.60000113.4E147 K148 C149E147-S151 PolarHBondContact O-N 2.67Å; E147-S151 PolarHBondContact O-OG 2.7Å; K148-S151 WeakPolarHBondContact CA-OG 3.2Å; K148-S151 PolarHBondContact O-N 3Å; K148-S151 PolarHBondContact O-OG 3.19Å; C149-S151 VanDerWaalsContact C-N 3.34Å
152H94.7Very high92.5Very high39 Ų3957 Ų5718%0.18132%0.316CS..  trans-77.8121.2-176.5-163.3-88.6000112.1K148 E154 I155 I156 I240K148-H152 WeakPolarHBondContact O-CB 3.44Å; K148-H152 PolarHBondContact O-N 3.44Å; K148-H152 VanDerWaalsContact O-N 3.16Å; H152-E154 VanDerWaalsContact C-N 3.3Å; H152-E154 IonicContact CE1-OE2 3.96Å; H152-E154 PolarHBondContact ND1-N 3.12Å; H152-E154 PolarHBondContact O-N 2.88Å; H152-I155 HydrophobicContact CB-CB 4.28Å; H152-I155 HydrophobicContact CB-CG1 3.9Å; H152-I155 PolarHBondContact O-N 2.88Å; H152-I156 WeakPolarHBondContact O-CG1 3.16Å; H152-I156 PolarHBondContact O-N 3.14Å; H152-I156 VanDerWaalsContact O-N 3.09Å; H152-I240 HydrophobicContact CB-CG1 4.32Å; H152-I240 HydrophobicContact CB-CG2 4.38Å
153P93.4Very high92.6Very high93 Ų9355.2 Ų55.260%0.60431%0.309SS*.Hα-helixtrans-62.7-34.2-171.524.3-34.2000113.2I156 A157P153-I156 PolarHBondContact O-N 3.17Å; P153-A157 WeakPolarHBondContact O-CB 3.05Å; P153-A157 PolarHBondContact O-N 2.82Å
154E92.2Very high92.6Very high106 Ų10659 Ų5950%0.49532%0.317SS..Hα-helixtrans-67.8-36.3177.5-59.6-169.416700112.4H152 A157 V158 I238H152-E154 VanDerWaalsContact C-N 3.3Å; H152-E154 IonicContact CE1-OE2 3.96Å; H152-E154 PolarHBondContact ND1-N 3.12Å; H152-E154 PolarHBondContact O-N 2.88Å; E154-A157 PolarHBondContact O-N 3.26Å; E154-V158 WeakPolarHBondContact O-CG2 3.43Å; E154-V158 PolarHBondContact O-N 3.25Å; E154-V158 VanDerWaalsContact O-N 3.12Å; E154-I238 HydrophobicContact CB-CD1 4.45Å; E154-I238 HydrophobicContact CB-CG2 4Å; E154-I238 WeakPolarHBondContact OE2-CG2 3.3Å
155I93.2Very high92.6Very high0 Ų056.1 Ų56.10%031%0.306CS..Hα-helixtrans-69.2-44.3178-60.1-63.5000109.2C149 H152 A157 V158 F159 I163 I197 V228 I238 I240C149-I155 HydrophobicContact CB-CG2 4.47Å; C149-I155 WeakPolarHBondContact O-CB 2.9Å; C149-I155 VanDerWaalsContact O-CG2 3.26Å; C149-I155 WeakPolarHBondContact O-CG2 3.44Å; H152-I155 HydrophobicContact CB-CB 4.28Å; H152-I155 HydrophobicContact CB-CG1 3.9Å; H152-I155 PolarHBondContact O-N 2.88Å; I155-A157 VanDerWaalsContact C-N 3.28Å; I155-A157 PolarHBondContact O-N 3.37Å; I155-V158 PolarHBondContact O-N 2.79Å; I155-V158 VanDerWaalsContact O-N 3.11Å; I155-F159 HydrophobicContact CD1-CE2 4.46Å; I155-F159 HydrophobicContact CG2-CD2 3.67Å; I155-F159 HydrophobicContact CG2-CE2 4.23Å; I155-F159 WeakPolarHBondContact O-CD2 3.24Å; I155-F159 PolarHBondContact O-N 2.76Å; I155-I163 HydrophobicContact CG2-CD1 3.86Å; I155-I197 HydrophobicContact CG2-CD1 4.37Å; I155-V228 HydrophobicContact CD1-CB 3.73Å; I155-V228 HydrophobicContact CD1-CG1 4.1Å; I155-V228 HydrophobicContact CD1-CG2 3.62Å; I155-I238 HydrophobicContact CD1-CB 3.83Å; I155-I238 HydrophobicContact CD1-CD1 3.92Å; I155-I238 HydrophobicContact CD1-CG1 4.49Å; I155-I238 HydrophobicContact CD1-CG2 3.6Å; I155-I238 HydrophobicContact CG1-CG2 4.22Å; I155-I240 HydrophobicContact CD1-CD1 4.24Å; I155-I240 HydrophobicContact CD1-CG1 4.41Å; I155-I240 HydrophobicContact CG1-CD1 3.95Å; I155-I240 HydrophobicContact CG1-CG1 4.16Å
156I93Very high92.5Very high49 Ų4958.7 Ų58.725%0.25132%0.315SS..Hα-helixtrans-58.3-43.2174.8-60.8167.3000110.3R150 H152 P153 V158 G160 E161R150-I156 VanDerWaalsContact O-CD1 3.31Å; R150-I156 WeakPolarHBondContact O-CD1 3.46Å; R150-I156 WeakPolarHBondContact O-CG1 3.4Å; H152-I156 WeakPolarHBondContact O-CG1 3.16Å; H152-I156 PolarHBondContact O-N 3.14Å; H152-I156 VanDerWaalsContact O-N 3.09Å; P153-I156 PolarHBondContact O-N 3.17Å; I156-V158 VanDerWaalsContact C-N 3.27Å; I156-V158 PolarHBondContact O-N 2.9Å; I156-G160 WeakPolarHBondContact O-CA 3.27Å; I156-G160 PolarHBondContact O-N 3.06Å; I156-E161 HydrophobicContact CG2-CG 4.14Å
157A91.5Very high92.3Very high81 Ų8158.3 Ų58.367%0.66931%0.314SS*.Hα-helixtrans-63.7-30.3177.900000113.3P153 E154 I155P153-A157 WeakPolarHBondContact O-CB 3.05Å; P153-A157 PolarHBondContact O-N 2.82Å; E154-A157 PolarHBondContact O-N 3.26Å; I155-A157 VanDerWaalsContact C-N 3.28Å; I155-A157 PolarHBondContact O-N 3.37Å
158V91.2Very high92Very high12 Ų1256.3 Ų56.37%0.07331%0.305CS..Hα-helixtrans-80.1-57.7176.9-170.10000111E154 I155 I156 K204 V230 I238E154-V158 WeakPolarHBondContact O-CG2 3.43Å; E154-V158 PolarHBondContact O-N 3.25Å; E154-V158 VanDerWaalsContact O-N 3.12Å; I155-V158 PolarHBondContact O-N 2.79Å; I155-V158 VanDerWaalsContact O-N 3.11Å; I156-V158 VanDerWaalsContact C-N 3.27Å; I156-V158 PolarHBondContact O-N 2.9Å; V158-K204 WeakPolarHBondContact O-CD 3.39Å; V158-K204 WeakPolarHBondContact O-CE 3.24Å; V158-K204 PolarHBondContact O-NZ 2.9Å; V158-V230 HydrophobicContact CG1-CG1 3.99Å; V158-V230 HydrophobicContact CG1-CG2 4Å; V158-I238 HydrophobicContact CG2-CD1 3.32Å
159F92Very high91.3Very high0 Ų056 Ų560%031%0.314CS..Hα-helixtrans-91.9-22.5-164.2-68.3-80.6000112.8I155 I163 I197 G199 S200 K204 V228 V230I155-F159 HydrophobicContact CD1-CE2 4.46Å; I155-F159 HydrophobicContact CG2-CD2 3.67Å; I155-F159 HydrophobicContact CG2-CE2 4.23Å; I155-F159 WeakPolarHBondContact O-CD2 3.24Å; I155-F159 PolarHBondContact O-N 2.76Å; F159-I163 HydrophobicContact CB-CG1 4.25Å; F159-I197 HydrophobicContact CD2-CD1 4.09Å; F159-I197 HydrophobicContact CE1-CD1 4.29Å; F159-I197 HydrophobicContact CE1-CG1 4.29Å; F159-I197 HydrophobicContact CE2-CD1 3.76Å; F159-I197 HydrophobicContact CZ-CD1 3.87Å; F159-I197 HydrophobicContact CZ-CG1 4.19Å; F159-G199 CarbonylContact O-C 3.57Å; F159-G199 WeakPolarHBondContact O-CA 3.11Å; F159-S200 PolarHBondContact O-N 2.94Å; F159-K204 HydrophobicContact CD1-CB 4.2Å; F159-V228 HydrophobicContact CE2-CG1 4.01Å; F159-V228 HydrophobicContact CZ-CG1 4.15Å; F159-V230 HydrophobicContact CE2-CG2 4.06Å; F159-V230 HydrophobicContact CZ-CB 4.48Å; F159-V230 HydrophobicContact CZ-CG1 4.31Å; F159-V230 HydrophobicContact CZ-CG2 3.93Å
160G91.1Very high90.6Very high21 Ų2159.7 Ų59.722%0.21634%0.337CS..  trans70.4172-172.200000112.9I156 I163I156-G160 WeakPolarHBondContact O-CA 3.27Å; I156-G160 PolarHBondContact O-N 3.06Å; G160-I163 WeakPolarHBondContact O-CG1 2.99Å
161E88.9Confident89.7Confident141 Ų14166.2 Ų66.266%0.65936%0.362SS*.SBendtrans-98.4134.6171.4-65.9-178.4176.500109.7I156 S200I156-E161 HydrophobicContact CG2-CG 4.14Å; E161-S200 WeakPolarHBondContact O-CB 3.47Å
162P90.9Very high89Confident83 Ų8373.6 Ų73.654%0.53938%0.377SS..SBendcis-91.71467.334.4-34.7000114.8
163I93.4Very high88.2Confident8 Ų874.4 Ų74.44%0.04140%0.395CS..PPolyproline II helixtrans-97.3123.3175.5-57.2163.6000110.7R150 I155 F159 G160 I197R150-I163 HydrophobicContact CG-CB 4.11Å; R150-I163 HydrophobicContact CG-CD1 4.39Å; R150-I163 PolarHBondContact NE-O 2.78Å; R150-I163 VanDerWaalsContact NE-O 3.13Å; R150-I163 PolarHBondContact NH2-O 3.31Å; I155-I163 HydrophobicContact CG2-CD1 3.86Å; F159-I163 HydrophobicContact CB-CG1 4.25Å; G160-I163 WeakPolarHBondContact O-CG1 2.99Å; I163-I197 HydrophobicContact CG2-CB 4.23Å; I163-I197 HydrophobicContact CG2-CG2 4.49Å
164K92.3Very high87.5Confident110 Ų11077.5 Ų77.548%0.47840%0.395SS..EExtended strand (participates in β ladder)trans-102.3139.3176.5-63.6177.3-175168.90110.2Y166 I197 E198K164-Y166 HydrophobicContact CB-CE2 4.05Å; K164-Y166 VanDerWaalsContact CD-OH 3.3Å; K164-Y166 WeakPolarHBondContact CD-OH 3.47Å; K164-I197 CarbonylContact O-C 3.53Å; K164-I197 WeakPolarHBondContact O-CA 3.4Å; K164-E198 PolarHBondContact N-O 3.42Å; K164-E198 PolarHBondContact O-N 3.36Å
165G91.8Very high86.9Confident17 Ų1778 Ų7818%0.17539%0.392CS..EExtended strand (participates in β ladder)trans-109140.3172.100000110.9Y142 Y196Y142-G165 WeakPolarHBondContact OH-CA 3.34Å; Y142-G165 PolarHBondContact OH-O 3.39Å; G165-Y196 CarbonylContact C-O 3.41Å; G165-Y196 WeakPolarHBondContact CA-O 3.43Å
166Y90.5Very high86.1Confident58 Ų5884.8 Ų84.823%0.22742%0.424CS..EExtended strand (participates in β ladder)trans-132.2147.5177.4-54.4-73.2000111.1K164 F195 Y196 E198K164-Y166 HydrophobicContact CB-CE2 4.05Å; K164-Y166 VanDerWaalsContact CD-OH 3.3Å; K164-Y166 WeakPolarHBondContact CD-OH 3.47Å; Y166-F195 WeakPolarHBondContact O-CB 3.41Å; Y166-Y196 PolarHBondContact N-O 3.43Å; Y166-Y196 PolarHBondContact O-N 3.48Å; Y166-E198 HydrophobicContact CD2-CB 4.36Å; Y166-E198 HydrophobicContact CE2-CB 3.62Å; Y166-E198 HydrophobicContact CE2-CG 4.49Å; Y166-E198 WeakPolarHBondContact CE2-OE2 3.27Å; Y166-E198 PolarHBondContact OH-OE2 3.29Å
167G90.1Very high85.5Confident4 Ų488.1 Ų88.14%0.04144%0.442CS..  trans-73.3-177.6168.800000112.8R175 L177G167-R175 PolarHBondContact N-O 2.83Å; G167-R175 VanDerWaalsContact N-O 3.12Å; G167-L177 CarbonylContact C-O 3.58Å; G167-L177 WeakPolarHBondContact CA-O 3.32Å
168E86.3Confident85.1Confident88 Ų8885.1 Ų85.141%0.41142%0.415SS..BIsolated β-bridgetrans-62.5136.9172.9-170.6169.8-175.400110.8T170 L177 S179E168-T170 PolarHBondContact O-N 3.24Å; E168-L177 PolarHBondContact N-O 3.3Å; E168-S179 WeakPolarHBondContact OE2-CB 3.21Å; E168-S179 PolarHBondContact OE2-OG 3.41Å
169A80.4Confident84.8Confident58 Ų5886.1 Ų86.148%0.47942%0.422SS..PPolyproline II helixtrans-74.9116.5176.900000109.6R175A169-R175 HydrophobicContact CB-CG 4.29Å
170T79.1Confident84.7Confident78 Ų7889.9 Ų89.948%0.47944%0.44SS..PPolyproline II helixtrans-64.5153.6166.5-52.10000109.4E168 R172 G173 R174E168-T170 PolarHBondContact O-N 3.24Å; T170-R172 PolarHBondContact O-N 3.47Å; T170-G173 PolarHBondContact O-N 3.06Å; T170-R174 PolarHBondContact N-O 3.48Å; T170-R174 PolarHBondContact OG1-O 2.9Å
171R73.9Confident84.6Confident260 Ų26094 Ų9498%0.98146%0.456SS*.THydrogen-bonded Turntrans-47.4-26.1173.2-172.3178.8176.4-1710.3114.3
172R78.8Confident84.6Confident240 Ų24091.5 Ų91.591%0.90644%0.444SS*.THydrogen-bonded Turntrans-88.67176.6-61.9-175.5-177.7171.91.2114.7T170T170-R172 PolarHBondContact O-N 3.47Å
173G77.5Confident84.6Confident56 Ų5690 Ų9058%0.57743%0.428SS*.SBendtrans82.24.317900000116.1T170T170-G173 PolarHBondContact O-N 3.06Å
174R78.6Confident84.5Confident158 Ų15895.9 Ų95.960%0.59646%0.458SS*.  trans-80.2127.7177.6-163.3169179.8170.8-1.6109.8T170 Q176T170-R174 PolarHBondContact N-O 3.48Å; T170-R174 PolarHBondContact OG1-O 2.9Å; R174-Q176 HydrophobicContact CG-CB 4.36Å; R174-Q176 HydrophobicContact CG-CG 3.95Å
175R80.4Confident84.2Confident117 Ų11795 Ų9544%0.44245%0.454SS..  trans-11237.9-175.1-60.5-175.5178.7179.2-2.9114G167 A169G167-R175 PolarHBondContact N-O 2.83Å; G167-R175 VanDerWaalsContact N-O 3.12Å; A169-R175 HydrophobicContact CB-CG 4.29Å
176Q76.4Confident84Confident141 Ų141100.7 Ų100.766%0.65948%0.481SS*.  trans-95.1-18.6-167.8-71.5-174.5-13.400114.8R174R174-Q176 HydrophobicContact CG-CB 4.36Å; R174-Q176 HydrophobicContact CG-CG 3.95Å
177L80Confident83.7Confident120 Ų120101.2 Ų101.263%0.62850%0.504SS*.BIsolated β-bridgetrans-110.6130.2-173.9-175.164.4000110.9G167 E168G167-L177 CarbonylContact C-O 3.58Å; G167-L177 WeakPolarHBondContact CA-O 3.32Å; E168-L177 PolarHBondContact N-O 3.3Å
178V83.4Confident83.6Confident17 Ų17103 Ų10310%0.10351%0.512CS..  trans-78.1131.4172.6177.90000109.1Y142 H180 L193 F195Y142-V178 HydrophobicContact CD1-CG2 4.37Å; Y142-V178 HydrophobicContact CD2-CG1 4.48Å; Y142-V178 HydrophobicContact CD2-CG2 3.55Å; Y142-V178 HydrophobicContact CE2-CG2 4.01Å; Y142-V178 HydrophobicContact CG-CG2 3.74Å; V178-H180 PolarHBondContact O-N 3.43Å; V178-H180 PolarHBondContact O-ND1 3.04Å; V178-L193 HydrophobicContact CG1-CB 4.16Å; V178-L193 HydrophobicContact CG1-CD2 4.14Å; V178-F195 HydrophobicContact CG1-CB 4.18Å
179S85.1Confident83.7Confident33 Ų33101.8 Ų101.823%0.23151%0.506CS..EExtended strand (participates in β ladder)trans-68.6119.3174.8-155.60000108.2E168 L193 K194E168-S179 WeakPolarHBondContact OE2-CB 3.21Å; E168-S179 PolarHBondContact OE2-OG 3.41Å; S179-L193 CarbonylContact O-C 3.42Å; S179-L193 WeakPolarHBondContact O-CA 3.16Å; S179-K194 WeakPolarHBondContact CB-O 3.3Å; S179-K194 PolarHBondContact N-O 2.95Å; S179-K194 PolarHBondContact O-N 3.2Å
180H89.1Confident84.2Confident79 Ų7999.3 Ų99.337%0.36648%0.484SS..EExtended strand (participates in β ladder)trans-131.8143.7179.165.5-77.8000110.1P138 V178 M191 R192 L193P138-H180 HydrophobicContact CB-CB 4.09Å; P138-H180 HydrophobicContact CG-CB 4.06Å; V178-H180 PolarHBondContact O-N 3.43Å; V178-H180 PolarHBondContact O-ND1 3.04Å; H180-M191 HydrophobicContact CB-SD 4.5Å; H180-R192 CarbonylContact C-O 3.54Å; H180-R192 VanDerWaalsContact CA-O 3.24Å; H180-R192 WeakPolarHBondContact CA-O 3.48Å; H180-L193 HydrophobicContact CB-CG 4.38Å
181I89.6Confident84.7Confident108 Ų10895.6 Ų95.655%0.55446%0.462SS*.EExtended strand (participates in β ladder)trans-133.5117.9175.8-58.2174.7000107.2M191 R192I181-M191 WeakPolarHBondContact O-CA 3.2Å; I181-R192 PolarHBondContact N-O 3.47Å; I181-R192 PolarHBondContact O-N 3.41Å
182E89.7Confident85.6Confident88 Ų8888.5 Ų88.541%0.41144%0.435SS..EExtended strand (participates in β ladder)trans-92.2134.4171.3-63.8-178.8-164.100109.1K189 H190 M191E182-K189 WeakPolarHBondContact OE2-CE 3.2Å; E182-K189 IonicContact OE2-NZ 3.25Å; E182-K189 PolarHBondContact OE2-NZ 2.74Å; E182-H190 WeakPolarHBondContact CA-O 3.04Å; E182-M191 HydrophobicContact CG-CB 4.29Å; E182-M191 HydrophobicContact CG-CG 3.95Å; E182-M191 HydrophobicContact CG-SD 3.86Å
183Y90Very high86.3Confident51 Ų5177.2 Ų77.220%0.239%0.392CS..EExtended strand (participates in β ladder)trans-148.6158.9177.264.9-80.9000110.2K185 H190 R192 E211Y183-K185 HydrophobicContact CD2-CB 4.22Å; Y183-K185 HydrophobicContact CE2-CB 4Å; Y183-H190 HydrophobicContact CD1-CB 4.04Å; Y183-H190 HydrophobicContact CD2-CB 3.96Å; Y183-H190 HydrophobicContact CE1-CB 3.54Å; Y183-H190 HydrophobicContact CE2-CB 3.49Å; Y183-H190 VanDerWaalsContact CE2-CB 3.49Å; Y183-H190 AromaticContact CE2-CG 3.87Å; Y183-H190 HydrophobicContact CG-CB 4.22Å; Y183-H190 AromaticContact CZ-CG 3.89Å; Y183-H190 PolarHBondContact N-O 3.2Å; Y183-H190 WeakPolarHBondContact O-CA 3.33Å; Y183-H190 PolarHBondContact O-N 3.46Å; Y183-R192 HydrophobicContact CE1-CB 4.35Å; Y183-R192 HydrophobicContact CE1-CG 3.73Å; Y183-R192 VanDerWaalsContact OH-CZ 3.32Å; Y183-R192 PolarHBondContact OH-NE 2.86Å; Y183-R192 VanDerWaalsContact OH-NE 3.1Å; Y183-R192 PolarHBondContact OH-NH2 3.38Å; Y183-R192 VanDerWaalsContact OH-NH2 3.16Å; Y183-E211 PolarHBondContact OH-OE1 3.08Å; Y183-E211 PolarHBondContact OH-OE2 3.49Å
184I90.8Very high87.1Confident133 Ų13378 Ų7868%0.68238%0.38SS*.EExtended strand (participates in β ladder)trans-106.5129178.9-58.4171000107.7L188I184-L188 WeakPolarHBondContact CA-O 3.41Å
185K87.8Confident87.8Confident90 Ų9070.5 Ų70.539%0.39135%0.352SS..EExtended strand (participates in β ladder)trans-135.5131.8175.8-165.1-168.8172.4-170.20108.9Y183 G187 L188Y183-K185 HydrophobicContact CD2-CB 4.22Å; Y183-K185 HydrophobicContact CE2-CB 4Å; K185-G187 PolarHBondContact O-N 3.03Å; K185-G187 VanDerWaalsContact O-N 3.12Å; K185-L188 PolarHBondContact N-O 2.96Å; K185-L188 PolarHBondContact O-N 2.98Å; K185-L188 VanDerWaalsContact O-O 3.09Å
186D86.7Confident88.4Confident137 Ų13768.3 Ų68.373%0.73334%0.344SS*.THydrogen-bonded Turntrans55.431.7179.4-50.1-44.3000113.1L188D186-L188 PolarHBondContact O-N 3.36Å
187G84.7Confident89.3Confident70 Ų7061.7 Ų61.772%0.72231%0.313SS*.THydrogen-bonded Turntrans76.70.1-176.900000115.2K185K185-G187 PolarHBondContact O-N 3.03Å; K185-G187 VanDerWaalsContact O-N 3.12Å
188L87.2Confident89.9Confident40 Ų4057.9 Ų57.921%0.20929%0.292CS..EExtended strand (participates in β ladder)trans-107145.4179.4-62172.3000110.3I184 K185 D186 H190 P216I184-L188 WeakPolarHBondContact CA-O 3.41Å; K185-L188 PolarHBondContact N-O 2.96Å; K185-L188 PolarHBondContact O-N 2.98Å; K185-L188 VanDerWaalsContact O-O 3.09Å; D186-L188 PolarHBondContact O-N 3.36Å; L188-H190 PolarHBondContact O-CD2 2.75Å; L188-P216 HydrophobicContact CD2-CB 4.2Å; L188-P216 HydrophobicContact CD2-CG 4Å
189K88.7Confident90.3Very high63 Ų6357.5 Ų57.527%0.27429%0.292SS..EExtended strand (participates in β ladder)trans-79.3128.1176.9-161.8177.3176.4-176.10109.3E182 E214 F221E182-K189 WeakPolarHBondContact OE2-CE 3.2Å; E182-K189 IonicContact OE2-NZ 3.25Å; E182-K189 PolarHBondContact OE2-NZ 2.74Å; K189-E214 HydrophobicContact CB-CB 4.01Å; K189-E214 WeakPolarHBondContact CB-OE2 3.3Å; K189-E214 VanDerWaalsContact O-CB 3.3Å; K189-E214 WeakPolarHBondContact O-CB 3.27Å; K189-E214 PolarHBondContact O-N 2.89Å; K189-F221 HydrophobicContact CD-CZ 4.31Å
190H90.8Very high90.5Very high6 Ų659.2 Ų59.23%0.02830%0.303CS..EExtended strand (participates in β ladder)trans-114.2148.9172.7-71.6-109.3000109.2E182 Y183 L188 E211 V212E182-H190 WeakPolarHBondContact CA-O 3.04Å; Y183-H190 HydrophobicContact CD1-CB 4.04Å; Y183-H190 HydrophobicContact CD2-CB 3.96Å; Y183-H190 HydrophobicContact CE1-CB 3.54Å; Y183-H190 HydrophobicContact CE2-CB 3.49Å; Y183-H190 VanDerWaalsContact CE2-CB 3.49Å; Y183-H190 AromaticContact CE2-CG 3.87Å; Y183-H190 HydrophobicContact CG-CB 4.22Å; Y183-H190 AromaticContact CZ-CG 3.89Å; Y183-H190 PolarHBondContact N-O 3.2Å; Y183-H190 WeakPolarHBondContact O-CA 3.33Å; Y183-H190 PolarHBondContact O-N 3.46Å; L188-H190 PolarHBondContact O-CD2 2.75Å; H190-E211 IonicContact ND1-OE1 2.73Å; H190-E211 PolarHBondContact ND1-OE1 3.41Å; H190-V212 WeakPolarHBondContact CA-O 3.12Å
191M90.8Very high90.5Very high0 Ų060.4 Ų60.40%031%0.309CS..EExtended strand (participates in β ladder)trans-132.6128.8170.6-176.3168.356.700109.5P138 I141 H180 I181 E182 L193 V212 F221P138-M191 HydrophobicContact CB-SD 4.42Å; P138-M191 HydrophobicContact CG-CE 4.47Å; P138-M191 HydrophobicContact CG-SD 3.86Å; I141-M191 HydrophobicContact CD1-CE 3.09Å; I141-M191 HydrophobicContact CG1-CE 4.46Å; H180-M191 HydrophobicContact CB-SD 4.5Å; I181-M191 WeakPolarHBondContact O-CA 3.2Å; E182-M191 HydrophobicContact CG-CB 4.29Å; E182-M191 HydrophobicContact CG-CG 3.95Å; E182-M191 HydrophobicContact CG-SD 3.86Å; M191-L193 HydrophobicContact CE-CD1 4.14Å; M191-L193 HydrophobicContact CG-CD1 3.91Å; M191-L193 HydrophobicContact SD-CD1 4.48Å; M191-V212 HydrophobicContact CB-CG2 3.68Å; M191-V212 HydrophobicContact CE-CG2 4.17Å; M191-V212 PolarHBondContact N-O 2.85Å; M191-V212 WeakPolarHBondContact O-CG2 3.32Å; M191-V212 PolarHBondContact O-N 3.37Å; M191-F221 HydrophobicContact CB-CE1 4.35Å
192R92.4Very high90.2Very high111 Ų11161.3 Ų61.342%0.41932%0.322SS..EExtended strand (participates in β ladder)trans-104132.5172.4-83.2165.8-176.9172.56.8109.1H180 I181 Y183 V210 E211H180-R192 CarbonylContact C-O 3.54Å; H180-R192 VanDerWaalsContact CA-O 3.24Å; H180-R192 WeakPolarHBondContact CA-O 3.48Å; I181-R192 PolarHBondContact N-O 3.47Å; I181-R192 PolarHBondContact O-N 3.41Å; Y183-R192 HydrophobicContact CE1-CB 4.35Å; Y183-R192 HydrophobicContact CE1-CG 3.73Å; Y183-R192 VanDerWaalsContact OH-CZ 3.32Å; Y183-R192 PolarHBondContact OH-NE 2.86Å; Y183-R192 VanDerWaalsContact OH-NE 3.1Å; Y183-R192 PolarHBondContact OH-NH2 3.38Å; Y183-R192 VanDerWaalsContact OH-NH2 3.16Å; R192-V210 CarbonylContact C-O 3.19Å; R192-V210 VanDerWaalsContact CA-O 3.3Å; R192-V210 WeakPolarHBondContact CA-O 2.75Å; R192-E211 HydrophobicContact CG-CB 4.1Å; R192-E211 HydrophobicContact CG-CG 3.94Å; R192-E211 IonicContact CZ-OE2 3.71Å; R192-E211 VanDerWaalsContact CZ-OE2 3.25Å; R192-E211 IonicContact NE-OE2 2.62Å; R192-E211 PolarHBondContact NE-OE2 3.04Å; R192-E211 IonicContact NH2-OE2 3.94Å; R192-E211 PolarHBondContact NH2-OE2 3.39Å
193L92.9Very high90Very high3 Ų359.3 Ų59.32%0.01633%0.325CS..EExtended strand (participates in β ladder)trans-118.2141.4173-59.182.4000109.1P138 I141 V178 S179 H180 M191 V210 V212P138-L193 HydrophobicContact CB-CD2 4.03Å; P138-L193 WeakPolarHBondContact O-CD2 3.46Å; I141-L193 HydrophobicContact CB-CD1 4.33Å; I141-L193 HydrophobicContact CB-CD2 4.07Å; I141-L193 HydrophobicContact CG2-CD1 3.63Å; I141-L193 HydrophobicContact CG2-CD2 3.94Å; I141-L193 HydrophobicContact CG2-CG 4.44Å; V178-L193 HydrophobicContact CG1-CB 4.16Å; V178-L193 HydrophobicContact CG1-CD2 4.14Å; S179-L193 CarbonylContact O-C 3.42Å; S179-L193 WeakPolarHBondContact O-CA 3.16Å; H180-L193 HydrophobicContact CB-CG 4.38Å; M191-L193 HydrophobicContact CE-CD1 4.14Å; M191-L193 HydrophobicContact CG-CD1 3.91Å; M191-L193 HydrophobicContact SD-CD1 4.48Å; L193-V210 HydrophobicContact CB-CB 4.27Å; L193-V210 HydrophobicContact CD1-CG1 4.5Å; L193-V210 PolarHBondContact N-O 3.27Å; L193-V210 PolarHBondContact O-N 3.47Å; L193-V212 HydrophobicContact CD1-CG2 4.44Å
194K93.3Very high90Very high73 Ų7359.1 Ų59.132%0.31733%0.325SS..EExtended strand (participates in β ladder)trans-128.5125.5172-177-171.7-177.6-172.80108.8S179 Y196 T207 V208S179-K194 WeakPolarHBondContact CB-O 3.3Å; S179-K194 PolarHBondContact N-O 2.95Å; S179-K194 PolarHBondContact O-N 3.2Å; K194-Y196 PolarHBondContact NZ-OH 2.95Å; K194-T207 HydrophobicContact CD-CG2 4.31Å; K194-T207 HydrophobicContact CG-CG2 3.92Å; K194-V208 WeakPolarHBondContact CA-O 3.37Å
195F94.5Very high90.1Very high0 Ų056.7 Ų56.70%031%0.311CS..EExtended strand (participates in β ladder)trans-143.4170.5175.664.4-90.8000110.5Y142 A145 L146 Y166 V178 I197 V208 V210Y142-F195 HydrophobicContact CD2-CB 4.03Å; Y142-F195 AromaticContact CD2-CD1 3.73Å; Y142-F195 HydrophobicContact CD2-CD1 3.73Å; Y142-F195 AromaticContact CD2-CD2 3.97Å; Y142-F195 HydrophobicContact CD2-CD2 3.97Å; Y142-F195 HydrophobicContact CD2-CE1 4.05Å; Y142-F195 HydrophobicContact CD2-CE2 4.28Å; Y142-F195 AromaticContact CD2-CG 3.66Å; Y142-F195 HydrophobicContact CD2-CG 3.66Å; Y142-F195 HydrophobicContact CD2-CZ 4.31Å; Y142-F195 HydrophobicContact CE2-CB 3.92Å; Y142-F195 HydrophobicContact CE2-CD1 4.2Å; Y142-F195 AromaticContact CE2-CD2 3.58Å; Y142-F195 HydrophobicContact CE2-CD2 3.58Å; Y142-F195 HydrophobicContact CE2-CE2 4.02Å; Y142-F195 AromaticContact CE2-CG 3.66Å; Y142-F195 HydrophobicContact CE2-CG 3.66Å; Y142-F195 HydrophobicContact CE2-CZ 4.49Å; A145-F195 HydrophobicContact CB-CE1 4.01Å; A145-F195 HydrophobicContact CB-CZ 4.02Å; L146-F195 HydrophobicContact CD1-CE2 4.29Å; Y166-F195 WeakPolarHBondContact O-CB 3.41Å; V178-F195 HydrophobicContact CG1-CB 4.18Å; F195-I197 HydrophobicContact CD2-CG2 4.04Å; F195-I197 HydrophobicContact CE2-CG2 3.73Å; F195-V208 HydrophobicContact CD1-CB 4.1Å; F195-V208 HydrophobicContact CD1-CG1 4.41Å; F195-V208 HydrophobicContact CD2-CB 3.9Å; F195-V208 HydrophobicContact CD2-CG2 3.98Å; F195-V208 HydrophobicContact CE1-CB 3.78Å; F195-V208 HydrophobicContact CE1-CG1 3.64Å; F195-V208 HydrophobicContact CE2-CB 3.56Å; F195-V208 HydrophobicContact CE2-CG1 3.97Å; F195-V208 HydrophobicContact CE2-CG2 3.5Å; F195-V208 HydrophobicContact CG-CB 4.18Å; F195-V208 HydrophobicContact CZ-CB 3.51Å; F195-V208 HydrophobicContact CZ-CG1 3.4Å; F195-V208 HydrophobicContact CZ-CG2 3.87Å; F195-V208 PolarHBondContact N-O 3.25Å; F195-V208 VanDerWaalsContact N-O 3.13Å; F195-V208 PolarHBondContact O-N 2.93Å; F195-V210 HydrophobicContact CE1-CG2 3.71Å; F195-V210 HydrophobicContact CZ-CG2 4.5Å
196Y93.7Very high90.4Very high71 Ų7152.4 Ų52.428%0.27829%0.292SS..EExtended strand (participates in β ladder)trans-114.5144.5-175.3-61.6-84.8000109.9G165 Y166 K194 G206 T207G165-Y196 CarbonylContact C-O 3.41Å; G165-Y196 WeakPolarHBondContact CA-O 3.43Å; Y166-Y196 PolarHBondContact N-O 3.43Å; Y166-Y196 PolarHBondContact O-N 3.48Å; K194-Y196 PolarHBondContact NZ-OH 2.95Å; Y196-G206 CarbonylContact C-O 3.6Å; Y196-G206 WeakPolarHBondContact CA-O 3.41Å; Y196-T207 HydrophobicContact CD1-CG2 4.36Å; Y196-T207 WeakPolarHBondContact CD1-OG1 3.39Å; Y196-T207 HydrophobicContact CE1-CG2 4.07Å; Y196-T207 VanDerWaalsContact CE1-OG1 3.3Å; Y196-T207 WeakPolarHBondContact CE1-OG1 3.23Å
197I94Very high90.8Very high2 Ų246.4 Ų46.41%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-121.6149.2172.861169.6000110.6L146 I155 F159 I163 K164 F195 Q205 G206 V208 V228L146-I197 HydrophobicContact CD1-CG2 3.98Å; I155-I197 HydrophobicContact CG2-CD1 4.37Å; F159-I197 HydrophobicContact CD2-CD1 4.09Å; F159-I197 HydrophobicContact CE1-CD1 4.29Å; F159-I197 HydrophobicContact CE1-CG1 4.29Å; F159-I197 HydrophobicContact CE2-CD1 3.76Å; F159-I197 HydrophobicContact CZ-CD1 3.87Å; F159-I197 HydrophobicContact CZ-CG1 4.19Å; I163-I197 HydrophobicContact CG2-CB 4.23Å; I163-I197 HydrophobicContact CG2-CG2 4.49Å; K164-I197 CarbonylContact O-C 3.53Å; K164-I197 WeakPolarHBondContact O-CA 3.4Å; F195-I197 HydrophobicContact CD2-CG2 4.04Å; F195-I197 HydrophobicContact CE2-CG2 3.73Å; I197-Q205 WeakPolarHBondContact O-CA 3.23Å; I197-G206 PolarHBondContact N-O 3.31Å; I197-G206 PolarHBondContact O-N 2.95Å; I197-V208 HydrophobicContact CB-CG2 4.36Å; I197-V208 HydrophobicContact CD1-CG2 3.98Å; I197-V208 HydrophobicContact CG1-CG2 3.93Å; I197-V208 HydrophobicContact CG2-CG2 3.62Å; I197-V228 HydrophobicContact CD1-CG1 3.64Å; I197-V228 HydrophobicContact CG1-CG1 4.31Å
198E92.7Very high91.3Very high41 Ų4143 Ų4319%0.19223%0.226CC..EExtended strand (participates in β ladder)trans-129.9134.7176.1-174.4176.5-151.200108.7K164 Y166 Q205K164-E198 PolarHBondContact N-O 3.42Å; K164-E198 PolarHBondContact O-N 3.36Å; Y166-E198 HydrophobicContact CD2-CB 4.36Å; Y166-E198 HydrophobicContact CE2-CB 3.62Å; Y166-E198 HydrophobicContact CE2-CG 4.49Å; Y166-E198 WeakPolarHBondContact CE2-OE2 3.27Å; Y166-E198 PolarHBondContact OH-OE2 3.29Å; E198-Q205 HydrophobicContact CG-CG 4.31Å
199G92.4Very high91.6Very high9 Ų943.7 Ų43.79%0.09323%0.228CC..  trans-81.8-174.8177.100000113.5F159 K204F159-G199 CarbonylContact O-C 3.57Å; F159-G199 WeakPolarHBondContact O-CA 3.11Å; G199-K204 PolarHBondContact N-O 3.15Å
200S89.8Confident91.9Very high68 Ų6840.8 Ų40.848%0.47622%0.215SC..SBendtrans-70.6-34.2174.9-174.10000112.2F159 E161F159-S200 PolarHBondContact O-N 2.94Å; E161-S200 WeakPolarHBondContact O-CB 3.47Å
201E87.6Confident92Very high105 Ų10540.5 Ų40.549%0.49121%0.214SC..SBendtrans-82.6132.6179.4-72.9172.4-129.700111G203 K204E201-G203 PolarHBondContact O-N 2.91Å; E201-K204 HydrophobicContact CB-CD 3.95Å; E201-K204 HydrophobicContact CB-CG 4.04Å; E201-K204 PolarHBondContact O-N 3.41Å; E201-K204 VanDerWaalsContact O-N 3.17Å; E201-K204 IonicContact OE1-NZ 2.89Å; E201-K204 PolarHBondContact OE1-NZ 3.5Å; E201-K204 WeakPolarHBondContact OE2-CE 3.48Å; E201-K204 IonicContact OE2-NZ 3.44Å; E201-K204 PolarHBondContact OE2-NZ 3.27Å
202P84.6Confident92.1Very high127 Ų12740.6 Ų40.683%0.82522%0.215SC*.THydrogen-bonded Turntrans-62.3129.7177.826.9-33.2000110
203G84.5Confident92Very high45 Ų4538.7 Ų38.746%0.46421%0.209SC..THydrogen-bonded Turntrans92.8-3.5-179.500000114.9E201 Q205 T232E201-G203 PolarHBondContact O-N 2.91Å; G203-Q205 PolarHBondContact O-N 3.42Å; G203-T232 PolarHBondContact O-OG1 3.46Å
204K90.4Very high91.8Very high48 Ų4841.4 Ų41.421%0.20922%0.222CC..  trans-87.797.3167.3-67.9-165178.9166.20110.5V158 F159 G199 E201 T232V158-K204 WeakPolarHBondContact O-CD 3.39Å; V158-K204 WeakPolarHBondContact O-CE 3.24Å; V158-K204 PolarHBondContact O-NZ 2.9Å; F159-K204 HydrophobicContact CD1-CB 4.2Å; G199-K204 PolarHBondContact N-O 3.15Å; E201-K204 HydrophobicContact CB-CD 3.95Å; E201-K204 HydrophobicContact CB-CG 4.04Å; E201-K204 PolarHBondContact O-N 3.41Å; E201-K204 VanDerWaalsContact O-N 3.17Å; E201-K204 IonicContact OE1-NZ 2.89Å; E201-K204 PolarHBondContact OE1-NZ 3.5Å; E201-K204 WeakPolarHBondContact OE2-CE 3.48Å; E201-K204 IonicContact OE2-NZ 3.44Å; E201-K204 PolarHBondContact OE2-NZ 3.27Å; K204-T232 WeakPolarHBondContact CA-OG1 3.19Å
205Q92.6Very high91.4Very high82 Ų8239.4 Ų39.438%0.38322%0.215SC..EExtended strand (participates in β ladder)trans-123.3151.5179.8-66.4178.310.700110.2I197 E198 G203 D231 T232I197-Q205 WeakPolarHBondContact O-CA 3.23Å; E198-Q205 HydrophobicContact CG-CG 4.31Å; G203-Q205 PolarHBondContact O-N 3.42Å; Q205-D231 WeakPolarHBondContact O-CB 3.3Å; Q205-D231 PolarHBondContact O-N 3.43Å; Q205-T232 PolarHBondContact N-OG1 2.8Å
206G93.8Very high90.7Very high0 Ų043.9 Ų43.90%024%0.244CC..EExtended strand (participates in β ladder)trans-147.9158176.200000111.9Y196 I197 D229Y196-G206 CarbonylContact C-O 3.6Å; Y196-G206 WeakPolarHBondContact CA-O 3.41Å; I197-G206 PolarHBondContact N-O 3.31Å; I197-G206 PolarHBondContact O-N 2.95Å; G206-D229 CarbonylContact C-O 3.52Å; G206-D229 WeakPolarHBondContact CA-O 3.13Å
207T94.9Very high89.9Confident10 Ų1049 Ų496%0.06127%0.27CS..EExtended strand (participates in β ladder)trans-108.6124.6175.9-59.70000108.7K194 Y196 H209 V228 D229 D231K194-T207 HydrophobicContact CD-CG2 4.31Å; K194-T207 HydrophobicContact CG-CG2 3.92Å; Y196-T207 HydrophobicContact CD1-CG2 4.36Å; Y196-T207 WeakPolarHBondContact CD1-OG1 3.39Å; Y196-T207 HydrophobicContact CE1-CG2 4.07Å; Y196-T207 VanDerWaalsContact CE1-OG1 3.3Å; Y196-T207 WeakPolarHBondContact CE1-OG1 3.23Å; T207-H209 WeakPolarHBondContact CG2-NE2 3.37Å; T207-V228 CarbonylContact O-C 3.52Å; T207-V228 WeakPolarHBondContact O-CA 3.49Å; T207-D229 PolarHBondContact N-O 3.49Å; T207-D229 PolarHBondContact O-N 2.82Å; T207-D231 PolarHBondContact OG1-OD2 3.44Å
208V95.4Very high88.9Confident0 Ų057.7 Ų57.70%030%0.303CS..EExtended strand (participates in β ladder)trans-99.9129177.5-171.30000109.3K194 F195 I197 V210 I226 F227 V228K194-V208 WeakPolarHBondContact CA-O 3.37Å; F195-V208 HydrophobicContact CD1-CB 4.1Å; F195-V208 HydrophobicContact CD1-CG1 4.41Å; F195-V208 HydrophobicContact CD2-CB 3.9Å; F195-V208 HydrophobicContact CD2-CG2 3.98Å; F195-V208 HydrophobicContact CE1-CB 3.78Å; F195-V208 HydrophobicContact CE1-CG1 3.64Å; F195-V208 HydrophobicContact CE2-CB 3.56Å; F195-V208 HydrophobicContact CE2-CG1 3.97Å; F195-V208 HydrophobicContact CE2-CG2 3.5Å; F195-V208 HydrophobicContact CG-CB 4.18Å; F195-V208 HydrophobicContact CZ-CB 3.51Å; F195-V208 HydrophobicContact CZ-CG1 3.4Å; F195-V208 HydrophobicContact CZ-CG2 3.87Å; F195-V208 PolarHBondContact N-O 3.25Å; F195-V208 VanDerWaalsContact N-O 3.13Å; F195-V208 PolarHBondContact O-N 2.93Å; I197-V208 HydrophobicContact CB-CG2 4.36Å; I197-V208 HydrophobicContact CD1-CG2 3.98Å; I197-V208 HydrophobicContact CG1-CG2 3.93Å; I197-V208 HydrophobicContact CG2-CG2 3.62Å; V208-V210 HydrophobicContact CG1-CG2 3.98Å; V208-I226 HydrophobicContact CG1-CG2 4.05Å; V208-F227 WeakPolarHBondContact CA-O 3.5Å; V208-V228 HydrophobicContact CB-CG2 4.48Å; V208-V228 HydrophobicContact CG1-CG2 4.15Å; V208-V228 HydrophobicContact CG2-CG1 4.2Å; V208-V228 HydrophobicContact CG2-CG2 3.89Å
209H95Very high88Confident54 Ų5457.7 Ų57.725%0.2531%0.314CS..EExtended strand (participates in β ladder)trans-113.3121175.2-70-80.4000109.2T207 F227 D229T207-H209 WeakPolarHBondContact CG2-NE2 3.37Å; H209-F227 HydrophobicContact CB-CD1 4.17Å; H209-F227 HydrophobicContact CB-CD2 3.96Å; H209-F227 HydrophobicContact CB-CE1 3.71Å; H209-F227 HydrophobicContact CB-CE2 3.46Å; H209-F227 VanDerWaalsContact CB-CE2 3.46Å; H209-F227 HydrophobicContact CB-CG 4.3Å; H209-F227 HydrophobicContact CB-CZ 3.31Å; H209-F227 AromaticContact CD2-CE2 3.4Å; H209-F227 WeakPolarHBondContact CD2-CE2 3.22Å; H209-F227 AromaticContact CD2-CZ 3.93Å; H209-F227 AromaticContact CG-CE2 3.61Å; H209-F227 AromaticContact CG-CZ 3.69Å; H209-F227 PolarHBondContact N-O 3.19Å; H209-F227 PolarHBondContact O-N 3.33Å; H209-D229 IonicContact CD2-OD2 3.03Å; H209-D229 IonicContact NE2-OD2 3.6Å
210V94.5Very high87.3Confident2 Ų265 Ų651%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-120.8132.9179.1-177.90000108.6I141 A145 R192 L193 F195 V208 V212 I226I141-V210 HydrophobicContact CG2-CG1 3.99Å; A145-V210 HydrophobicContact CB-CG2 3.66Å; R192-V210 CarbonylContact C-O 3.19Å; R192-V210 VanDerWaalsContact CA-O 3.3Å; R192-V210 WeakPolarHBondContact CA-O 2.75Å; L193-V210 HydrophobicContact CB-CB 4.27Å; L193-V210 HydrophobicContact CD1-CG1 4.5Å; L193-V210 PolarHBondContact N-O 3.27Å; L193-V210 PolarHBondContact O-N 3.47Å; F195-V210 HydrophobicContact CE1-CG2 3.71Å; F195-V210 HydrophobicContact CZ-CG2 4.5Å; V208-V210 HydrophobicContact CG1-CG2 3.98Å; V210-V212 HydrophobicContact CG1-CG1 4.17Å; V210-I226 HydrophobicContact CG1-CG1 4.1Å; V210-I226 HydrophobicContact CG2-CG1 4.2Å; V210-I226 HydrophobicContact CG2-CG2 4.2Å
211E92.9Very high87Confident0 Ų063 Ų630%032%0.321CS..EExtended strand (participates in β ladder)trans-121.5129.3165.7-174.117513200109.3Y183 H190 R192 R224 Y225Y183-E211 PolarHBondContact OH-OE1 3.08Å; Y183-E211 PolarHBondContact OH-OE2 3.49Å; H190-E211 IonicContact ND1-OE1 2.73Å; H190-E211 PolarHBondContact ND1-OE1 3.41Å; R192-E211 HydrophobicContact CG-CB 4.1Å; R192-E211 HydrophobicContact CG-CG 3.94Å; R192-E211 IonicContact CZ-OE2 3.71Å; R192-E211 VanDerWaalsContact CZ-OE2 3.25Å; R192-E211 IonicContact NE-OE2 2.62Å; R192-E211 PolarHBondContact NE-OE2 3.04Å; R192-E211 IonicContact NH2-OE2 3.94Å; R192-E211 PolarHBondContact NH2-OE2 3.39Å; E211-R224 HydrophobicContact CG-CB 4.49Å; E211-R224 WeakPolarHBondContact O-CB 3.43Å; E211-R224 PolarHBondContact O-N 2.96Å; E211-R224 VanDerWaalsContact OE1-CD 3.25Å; E211-R224 WeakPolarHBondContact OE1-CD 3.26Å; E211-R224 IonicContact OE1-CZ 3.74Å; E211-R224 IonicContact OE1-NE 3.91Å; E211-R224 IonicContact OE1-NH1 2.77Å; E211-R224 PolarHBondContact OE1-NH1 3.47Å; E211-Y225 HydrophobicContact CB-CD1 3.98Å; E211-Y225 HydrophobicContact CB-CD2 4.2Å; E211-Y225 HydrophobicContact CB-CE1 3.5Å; E211-Y225 HydrophobicContact CB-CE2 3.71Å; E211-Y225 HydrophobicContact CB-CG 4.33Å; E211-Y225 HydrophobicContact CG-CE1 4.09Å; E211-Y225 PolarHBondContact N-O 3.08Å; E211-Y225 PolarHBondContact O-N 2.85Å; E211-Y225 WeakPolarHBondContact OE2-CE1 3.32Å; E211-Y225 PolarHBondContact OE2-OH 3.35Å
212V92Very high87.1Confident2 Ų262.3 Ų62.31%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-116.4151171.7-63.40000110.2I141 H190 M191 L193 V210 F221 E222 V223I141-V212 HydrophobicContact CD1-CG1 4.27Å; I141-V212 HydrophobicContact CD1-CG2 3.78Å; I141-V212 HydrophobicContact CG1-CG1 4.31Å; I141-V212 HydrophobicContact CG2-CG1 3.63Å; H190-V212 WeakPolarHBondContact CA-O 3.12Å; M191-V212 HydrophobicContact CB-CG2 3.68Å; M191-V212 HydrophobicContact CE-CG2 4.17Å; M191-V212 PolarHBondContact N-O 2.85Å; M191-V212 WeakPolarHBondContact O-CG2 3.32Å; M191-V212 PolarHBondContact O-N 3.37Å; L193-V212 HydrophobicContact CD1-CG2 4.44Å; V210-V212 HydrophobicContact CG1-CG1 4.17Å; V212-F221 HydrophobicContact CB-CB 4.13Å; V212-F221 HydrophobicContact CB-CD1 4.11Å; V212-F221 HydrophobicContact CG2-CB 4.2Å; V212-F221 HydrophobicContact CG2-CD1 3.51Å; V212-F221 HydrophobicContact CG2-CE1 4.32Å; V212-F221 HydrophobicContact CG2-CG 4.19Å; V212-E222 CarbonylContact C-O 3.49Å; V212-E222 WeakPolarHBondContact CA-O 3.41Å; V212-E222 WeakPolarHBondContact CB-O 3.49Å; V212-V223 HydrophobicContact CG1-CG2 4.16Å
213K90.8Very high87.4Confident71 Ų7157.6 Ų57.631%0.30929%0.287SS..EExtended strand (participates in β ladder)trans-123136177.7178.1-176.6174.9-170.60109F221 E222K213-F221 CarbonylContact O-C 3.57Å; K213-F221 WeakPolarHBondContact O-CA 3.37Å; K213-E222 PolarHBondContact N-O 2.98Å; K213-E222 PolarHBondContact O-N 3.44Å
214E87.8Confident87.7Confident60 Ų6058.2 Ų58.228%0.2828%0.276SS..EExtended strand (participates in β ladder)trans-73.5128172.1-174.2172.3-166.400110.2K189 F221K189-E214 HydrophobicContact CB-CB 4.01Å; K189-E214 WeakPolarHBondContact CB-OE2 3.3Å; K189-E214 VanDerWaalsContact O-CB 3.3Å; K189-E214 WeakPolarHBondContact O-CB 3.27Å; K189-E214 PolarHBondContact O-N 2.89Å; E214-F221 HydrophobicContact CB-CD1 4.4Å; E214-F221 HydrophobicContact CB-CE1 4.1Å; E214-F221 HydrophobicContact CB-CZ 4.29Å
215N85.8Confident87.9Confident30 Ų3057.2 Ų57.216%0.1627%0.27CS..EExtended strand (participates in β ladder)trans-91123173.2-81.2-74.1000111.3E217 R218 G219 R220 E222N215-E217 PolarHBondContact O-N 3.44Å; N215-R218 PolarHBondContact O-N 3.25Å; N215-G219 WeakPolarHBondContact O-CA 3.32Å; N215-G219 PolarHBondContact O-N 3.46Å; N215-R220 PolarHBondContact N-O 2.9Å; N215-E222 WeakPolarHBondContact ND2-CB 3.1Å; N215-E222 WeakPolarHBondContact ND2-CG 3.37Å; N215-E222 PolarHBondContact ND2-OE1 3.23Å; N215-E222 PolarHBondContact ND2-OE2 2.87Å
216P79.2Confident88Confident95 Ų9553.3 Ų53.362%0.61725%0.252SS*.THydrogen-bonded Turntrans-66.9-25.6-178.227.9-34000112.3L188L188-P216 HydrophobicContact CD2-CB 4.2Å; L188-P216 HydrophobicContact CD2-CG 4Å
217E77.5Confident88.1Confident179 Ų17955.2 Ų55.284%0.83626%0.261SS*.THydrogen-bonded Turntrans-76.3-34.7-177.9-59.3-172170.500113.5N215N215-E217 PolarHBondContact O-N 3.44Å
218R72.4Confident88.1Confident183 Ų18354.7 Ų54.769%0.69126%0.258SS*.THydrogen-bonded Turntrans-113.7-11.2-173.6-67.6-173.4176.3-169.3-0.6113.6N215 R220N215-R218 PolarHBondContact O-N 3.25Å; R218-R220 HydrophobicContact CB-CB 4.42Å; R218-R220 HydrophobicContact CB-CG 4.49Å; R218-R220 PolarHBondContact O-N 2.83Å
219G73.4Confident88.1Confident41 Ų4156.9 Ų56.942%0.42327%0.269SS..THydrogen-bonded Turntrans59.226.1-17300000113N215N215-G219 WeakPolarHBondContact O-CA 3.32Å; N215-G219 PolarHBondContact O-N 3.46Å
220R78.5Confident88Confident163 Ų16354.8 Ų54.862%0.61526%0.26SS*.EExtended strand (participates in β ladder)trans-117.7148-178.4-69.3-174.1-176.6-174.21.7110N215 R218N215-R220 PolarHBondContact N-O 2.9Å; R218-R220 HydrophobicContact CB-CB 4.42Å; R218-R220 HydrophobicContact CB-CG 4.49Å; R218-R220 PolarHBondContact O-N 2.83Å
221F84.6Confident87.8Confident25 Ų2558.1 Ų58.111%0.1128%0.278CS..EExtended strand (participates in β ladder)trans-77.8123171.3-73.1-92.7000109.4S135 S136 I141 K189 M191 V212 K213 E214S135-F221 WeakPolarHBondContact O-CD2 3.23Å; S136-F221 VanDerWaalsContact CB-CE2 3.43Å; S136-F221 VanDerWaalsContact OG-CE2 3.27Å; S136-F221 WeakPolarHBondContact OG-CE2 3.21Å; I141-F221 HydrophobicContact CD1-CB 4.23Å; I141-F221 HydrophobicContact CD1-CG 4.33Å; K189-F221 HydrophobicContact CD-CZ 4.31Å; M191-F221 HydrophobicContact CB-CE1 4.35Å; V212-F221 HydrophobicContact CB-CB 4.13Å; V212-F221 HydrophobicContact CB-CD1 4.11Å; V212-F221 HydrophobicContact CG2-CB 4.2Å; V212-F221 HydrophobicContact CG2-CD1 3.51Å; V212-F221 HydrophobicContact CG2-CE1 4.32Å; V212-F221 HydrophobicContact CG2-CG 4.19Å; K213-F221 CarbonylContact O-C 3.57Å; K213-F221 WeakPolarHBondContact O-CA 3.37Å; E214-F221 HydrophobicContact CB-CD1 4.4Å; E214-F221 HydrophobicContact CB-CE1 4.1Å; E214-F221 HydrophobicContact CB-CZ 4.29Å
222E88.4Confident87.5Confident91 Ų9160.3 Ų60.343%0.42529%0.291SS..EExtended strand (participates in β ladder)trans-103.8144.7169.1-70.9174.5-173.600109.9V212 K213 N215 R224V212-E222 CarbonylContact C-O 3.49Å; V212-E222 WeakPolarHBondContact CA-O 3.41Å; V212-E222 WeakPolarHBondContact CB-O 3.49Å; K213-E222 PolarHBondContact N-O 2.98Å; K213-E222 PolarHBondContact O-N 3.44Å; N215-E222 WeakPolarHBondContact ND2-CB 3.1Å; N215-E222 WeakPolarHBondContact ND2-CG 3.37Å; N215-E222 PolarHBondContact ND2-OE1 3.23Å; N215-E222 PolarHBondContact ND2-OE2 2.87Å; E222-R224 PolarHBondContact O-N 2.86Å
223V90.5Very high86.9Confident28 Ų2869.2 Ų69.217%0.1733%0.33CS..EExtended strand (participates in β ladder)trans-72.1120.3178.1176.60000108.5V212 I226 E241 N243V212-V223 HydrophobicContact CG1-CG2 4.16Å; V223-I226 HydrophobicContact CG1-CD1 3.66Å; V223-I226 HydrophobicContact CG1-CG1 3.48Å; V223-I226 VanDerWaalsContact CG1-CG1 3.48Å; V223-I226 HydrophobicContact CG2-CD1 4.45Å; V223-E241 HydrophobicContact CG1-CG 4.42Å; V223-N243 PolarHBondContact O-ND2 3.37Å
224R92.1Very high86.6Confident59 Ų5970 Ų7022%0.22334%0.343CS..EExtended strand (participates in β ladder)trans-85.6-48.4174.4-170-176.5-178.9-152.4-6110.7E211 E222 N243E211-R224 HydrophobicContact CG-CB 4.49Å; E211-R224 WeakPolarHBondContact O-CB 3.43Å; E211-R224 PolarHBondContact O-N 2.96Å; E211-R224 VanDerWaalsContact OE1-CD 3.25Å; E211-R224 WeakPolarHBondContact OE1-CD 3.26Å; E211-R224 IonicContact OE1-CZ 3.74Å; E211-R224 IonicContact OE1-NE 3.91Å; E211-R224 IonicContact OE1-NH1 2.77Å; E211-R224 PolarHBondContact OE1-NH1 3.47Å; E222-R224 PolarHBondContact O-N 2.86Å; R224-N243 CarbonylContact O-C 3.52Å; R224-N243 WeakPolarHBondContact O-CA 3.31Å; R224-N243 PolarHBondContact O-N 2.78Å
225Y94.1Very high86.6Confident26 Ų2677.2 Ų77.210%0.10237%0.367CS..EExtended strand (participates in β ladder)trans-155151.7171.660.5-102.9000111.6E211 F227 E241 R244E211-Y225 HydrophobicContact CB-CD1 3.98Å; E211-Y225 HydrophobicContact CB-CD2 4.2Å; E211-Y225 HydrophobicContact CB-CE1 3.5Å; E211-Y225 HydrophobicContact CB-CE2 3.71Å; E211-Y225 HydrophobicContact CB-CG 4.33Å; E211-Y225 HydrophobicContact CG-CE1 4.09Å; E211-Y225 PolarHBondContact N-O 3.08Å; E211-Y225 PolarHBondContact O-N 2.85Å; E211-Y225 WeakPolarHBondContact OE2-CE1 3.32Å; E211-Y225 PolarHBondContact OE2-OH 3.35Å; Y225-F227 AromaticContact CD2-CD1 3.52Å; Y225-F227 HydrophobicContact CD2-CD1 3.52Å; Y225-F227 AromaticContact CD2-CE1 3.61Å; Y225-F227 HydrophobicContact CD2-CE1 3.61Å; Y225-F227 AromaticContact CE2-CD1 3.77Å; Y225-F227 HydrophobicContact CE2-CD1 3.77Å; Y225-F227 AromaticContact CE2-CE1 3.32Å; Y225-F227 HydrophobicContact CE2-CE1 3.32Å; Y225-F227 HydrophobicContact CE2-CZ 4.42Å; Y225-E241 CarbonylContact C-O 3.6Å; Y225-E241 WeakPolarHBondContact CA-O 3.28Å; Y225-E241 WeakPolarHBondContact CB-O 3.4Å; Y225-R244 HydrophobicContact CD1-CG 4.37Å
226I95.1Very high86.9Confident0 Ų081.8 Ų81.80%038%0.382CS..EExtended strand (participates in β ladder)trans-131.9122.2168.9-58173.1000107.1A145 K148 V208 V210 V223 I240 E241A145-I226 HydrophobicContact CB-CD1 4.13Å; K148-I226 HydrophobicContact CB-CD1 4.43Å; K148-I226 HydrophobicContact CD-CD1 3.63Å; V208-I226 HydrophobicContact CG1-CG2 4.05Å; V210-I226 HydrophobicContact CG1-CG1 4.1Å; V210-I226 HydrophobicContact CG2-CG1 4.2Å; V210-I226 HydrophobicContact CG2-CG2 4.2Å; V223-I226 HydrophobicContact CG1-CD1 3.66Å; V223-I226 HydrophobicContact CG1-CG1 3.48Å; V223-I226 VanDerWaalsContact CG1-CG1 3.48Å; V223-I226 HydrophobicContact CG2-CD1 4.45Å; I226-I240 HydrophobicContact CB-CB 4.24Å; I226-I240 HydrophobicContact CG2-CB 4.19Å; I226-I240 HydrophobicContact CG2-CD1 3.88Å; I226-I240 HydrophobicContact CG2-CG1 4.48Å; I226-I240 PolarHBondContact O-N 2.91Å; I226-E241 PolarHBondContact N-O 3.06Å; I226-E241 PolarHBondContact O-N 3.19Å
227F95.1Very high87.6Confident40 Ų4081.2 Ų81.218%0.17538%0.377CS..EExtended strand (participates in β ladder)trans-134.8153.8169.664.8-95.9000111.2V208 H209 Y225 T237 I238 V239V208-F227 WeakPolarHBondContact CA-O 3.5Å; H209-F227 HydrophobicContact CB-CD1 4.17Å; H209-F227 HydrophobicContact CB-CD2 3.96Å; H209-F227 HydrophobicContact CB-CE1 3.71Å; H209-F227 HydrophobicContact CB-CE2 3.46Å; H209-F227 VanDerWaalsContact CB-CE2 3.46Å; H209-F227 HydrophobicContact CB-CG 4.3Å; H209-F227 HydrophobicContact CB-CZ 3.31Å; H209-F227 AromaticContact CD2-CE2 3.4Å; H209-F227 WeakPolarHBondContact CD2-CE2 3.22Å; H209-F227 AromaticContact CD2-CZ 3.93Å; H209-F227 AromaticContact CG-CE2 3.61Å; H209-F227 AromaticContact CG-CZ 3.69Å; H209-F227 PolarHBondContact N-O 3.19Å; H209-F227 PolarHBondContact O-N 3.33Å; Y225-F227 AromaticContact CD2-CD1 3.52Å; Y225-F227 HydrophobicContact CD2-CD1 3.52Å; Y225-F227 AromaticContact CD2-CE1 3.61Å; Y225-F227 HydrophobicContact CD2-CE1 3.61Å; Y225-F227 AromaticContact CE2-CD1 3.77Å; Y225-F227 HydrophobicContact CE2-CD1 3.77Å; Y225-F227 AromaticContact CE2-CE1 3.32Å; Y225-F227 HydrophobicContact CE2-CE1 3.32Å; Y225-F227 HydrophobicContact CE2-CZ 4.42Å; F227-T237 HydrophobicContact CB-CG2 3.96Å; F227-T237 HydrophobicContact CD2-CG2 3.67Å; F227-T237 HydrophobicContact CG-CG2 4.12Å; F227-I238 CarbonylContact C-O 3.51Å; F227-I238 VanDerWaalsContact CA-O 3.23Å; F227-I238 WeakPolarHBondContact CA-O 3.33Å; F227-I238 WeakPolarHBondContact CB-O 3.13Å; F227-V239 HydrophobicContact CB-CG2 4.28Å
228V95.3Very high88.4Confident0 Ų073 Ų730%034%0.339CS..EExtended strand (participates in β ladder)trans-120.6117.9-178.9-1770000108.1I155 F159 I197 T207 V208 T237 I238 I240I155-V228 HydrophobicContact CD1-CB 3.73Å; I155-V228 HydrophobicContact CD1-CG1 4.1Å; I155-V228 HydrophobicContact CD1-CG2 3.62Å; F159-V228 HydrophobicContact CE2-CG1 4.01Å; F159-V228 HydrophobicContact CZ-CG1 4.15Å; I197-V228 HydrophobicContact CD1-CG1 3.64Å; I197-V228 HydrophobicContact CG1-CG1 4.31Å; T207-V228 CarbonylContact O-C 3.52Å; T207-V228 WeakPolarHBondContact O-CA 3.49Å; V208-V228 HydrophobicContact CB-CG2 4.48Å; V208-V228 HydrophobicContact CG1-CG2 4.15Å; V208-V228 HydrophobicContact CG2-CG1 4.2Å; V208-V228 HydrophobicContact CG2-CG2 3.89Å; V228-T237 CarbonylContact O-C 3.53Å; V228-T237 WeakPolarHBondContact O-CA 3.16Å; V228-I238 PolarHBondContact N-O 2.78Å; V228-I238 PolarHBondContact O-N 2.96Å; V228-I240 HydrophobicContact CG2-CD1 3.64Å; V228-I240 HydrophobicContact CG2-CG1 4.41Å
229D95.1Very high89.4Confident46 Ų4667.8 Ų67.825%0.24633%0.327CS..EExtended strand (participates in β ladder)trans-86.6119.5168.1-75-35.5000109.1G206 T207 H209 D231 T237G206-D229 CarbonylContact C-O 3.52Å; G206-D229 WeakPolarHBondContact CA-O 3.13Å; T207-D229 PolarHBondContact N-O 3.49Å; T207-D229 PolarHBondContact O-N 2.82Å; H209-D229 IonicContact CD2-OD2 3.03Å; H209-D229 IonicContact NE2-OD2 3.6Å; D229-D231 PolarHBondContact O-N 2.79Å; D229-T237 VanDerWaalsContact OD1-CB 3.26Å; D229-T237 WeakPolarHBondContact OD1-CB 3.1Å; D229-T237 WeakPolarHBondContact OD1-CG2 3.35Å; D229-T237 PolarHBondContact OD1-OG1 3.01Å
230V93.8Very high90.3Very high9 Ų967.3 Ų67.36%0.05532%0.315CS..EExtended strand (participates in β ladder)trans-79.9116.2173.7-175.30000108V158 F159 T232 R236 I238V158-V230 HydrophobicContact CG1-CG1 3.99Å; V158-V230 HydrophobicContact CG1-CG2 4Å; F159-V230 HydrophobicContact CE2-CG2 4.06Å; F159-V230 HydrophobicContact CZ-CB 4.48Å; F159-V230 HydrophobicContact CZ-CG1 4.31Å; F159-V230 HydrophobicContact CZ-CG2 3.93Å; V230-T232 VanDerWaalsContact C-N 3.33Å; V230-R236 HydrophobicContact CB-CG 4.14Å; V230-R236 WeakPolarHBondContact CB-O 3.16Å; V230-R236 HydrophobicContact CG2-CG 3.87Å; V230-R236 WeakPolarHBondContact CG2-O 3.15Å; V230-R236 PolarHBondContact N-O 3.34Å; V230-I238 HydrophobicContact CG2-CD1 4.19Å
231D90.1Very high90.9Very high72 Ų7261.9 Ų61.939%0.38530%0.296SS..  trans-75.6-28.9-178-66.4-41.6000111.4Q205 T207 D229Q205-D231 WeakPolarHBondContact O-CB 3.3Å; Q205-D231 PolarHBondContact O-N 3.43Å; T207-D231 PolarHBondContact OG1-OD2 3.44Å; D229-D231 PolarHBondContact O-N 2.79Å
232T86.3Confident91.2Very high46 Ų4664.9 Ų64.928%0.28231%0.313SS..SBendtrans-73144179.1-44.20000111.6G203 K204 Q205 V230 P234 R235G203-T232 PolarHBondContact O-OG1 3.46Å; K204-T232 WeakPolarHBondContact CA-OG1 3.19Å; Q205-T232 PolarHBondContact N-OG1 2.8Å; V230-T232 VanDerWaalsContact C-N 3.33Å; T232-P234 CarbonylContact O-C 3.55Å; T232-P234 VanDerWaalsContact O-O 3.13Å; T232-R235 PolarHBondContact O-N 3.48Å
233F80Confident91.2Very high190 Ų19065.1 Ų65.183%0.83332%0.318SS*.SBendtrans-71.2135.3178.7-169.7-92.5000111.5
234P83.5Confident90.2Very high88 Ų8873.1 Ų73.157%0.57135%0.345SS*.SBendcis-76.6134-2.331-33.9000112.4T232 R236T232-P234 CarbonylContact O-C 3.55Å; T232-P234 VanDerWaalsContact O-O 3.13Å; P234-R236 PolarHBondContact O-N 2.8Å
235R88.1Confident90.2Very high211 Ų21173.8 Ų73.880%0.79635%0.351SS*.PPolyproline II helixtrans-65.1123.1177.1-68.5-176.5179.5169.90.7109.5T232T232-R235 PolarHBondContact O-N 3.48Å
236R91.8Very high90Very high126 Ų12676.3 Ų76.348%0.47536%0.364SS..  trans-142.9148.6175.960.1174.6171.7-178.9-7.2110.1V230 P234V230-R236 HydrophobicContact CB-CG 4.14Å; V230-R236 WeakPolarHBondContact CB-O 3.16Å; V230-R236 HydrophobicContact CG2-CG 3.87Å; V230-R236 WeakPolarHBondContact CG2-O 3.15Å; V230-R236 PolarHBondContact N-O 3.34Å; P234-R236 PolarHBondContact O-N 2.8Å
237T93.9Very high89.7Confident83 Ų8380.6 Ų80.651%0.50938%0.384SS..EExtended strand (participates in β ladder)trans-101.5127.3172.7-50.20000108.4F227 V228 D229F227-T237 HydrophobicContact CB-CG2 3.96Å; F227-T237 HydrophobicContact CD2-CG2 3.67Å; F227-T237 HydrophobicContact CG-CG2 4.12Å; V228-T237 CarbonylContact O-C 3.53Å; V228-T237 WeakPolarHBondContact O-CA 3.16Å; D229-T237 VanDerWaalsContact OD1-CB 3.26Å; D229-T237 WeakPolarHBondContact OD1-CB 3.1Å; D229-T237 WeakPolarHBondContact OD1-CG2 3.35Å; D229-T237 PolarHBondContact OD1-OG1 3.01Å
238I93.6Very high89.3Confident5 Ų582.9 Ų82.93%0.02640%0.397CS..EExtended strand (participates in β ladder)trans-108.8121.8176.2-65167.4000107.4E154 I155 V158 F227 V228 V230E154-I238 HydrophobicContact CB-CD1 4.45Å; E154-I238 HydrophobicContact CB-CG2 4Å; E154-I238 WeakPolarHBondContact OE2-CG2 3.3Å; I155-I238 HydrophobicContact CD1-CB 3.83Å; I155-I238 HydrophobicContact CD1-CD1 3.92Å; I155-I238 HydrophobicContact CD1-CG1 4.49Å; I155-I238 HydrophobicContact CD1-CG2 3.6Å; I155-I238 HydrophobicContact CG1-CG2 4.22Å; V158-I238 HydrophobicContact CG2-CD1 3.32Å; F227-I238 CarbonylContact C-O 3.51Å; F227-I238 VanDerWaalsContact CA-O 3.23Å; F227-I238 WeakPolarHBondContact CA-O 3.33Å; F227-I238 WeakPolarHBondContact CB-O 3.13Å; V228-I238 PolarHBondContact N-O 2.78Å; V228-I238 PolarHBondContact O-N 2.96Å; V230-I238 HydrophobicContact CG2-CD1 4.19Å
239V94.6Very high89Confident75 Ų7588.1 Ų88.146%0.45542%0.421SS..EExtended strand (participates in β ladder)trans-94.5118.1178.3-176.70000107.6F227 D242F227-V239 HydrophobicContact CB-CG2 4.28Å; V239-D242 HydrophobicContact CG1-CB 3.81Å
240I92.9Very high88.6Confident30 Ų3090.9 Ų90.915%0.15443%0.433CS..EExtended strand (participates in β ladder)trans-88.7-42.7-179.6-63.8172.1000109.6K148 C149 H152 I155 I226 V228K148-I240 HydrophobicContact CB-CG2 4.25Å; C149-I240 HydrophobicContact CB-CD1 4.11Å; C149-I240 WeakPolarHBondContact SG-CD1 3.35Å; H152-I240 HydrophobicContact CB-CG1 4.32Å; H152-I240 HydrophobicContact CB-CG2 4.38Å; I155-I240 HydrophobicContact CD1-CD1 4.24Å; I155-I240 HydrophobicContact CD1-CG1 4.41Å; I155-I240 HydrophobicContact CG1-CD1 3.95Å; I155-I240 HydrophobicContact CG1-CG1 4.16Å; I226-I240 HydrophobicContact CB-CB 4.24Å; I226-I240 HydrophobicContact CG2-CB 4.19Å; I226-I240 HydrophobicContact CG2-CD1 3.88Å; I226-I240 HydrophobicContact CG2-CG1 4.48Å; I226-I240 PolarHBondContact O-N 2.91Å; V228-I240 HydrophobicContact CG2-CD1 3.64Å; V228-I240 HydrophobicContact CG2-CG1 4.41Å
241E91.1Very high88.2Confident50 Ų5096.8 Ų96.823%0.23446%0.46CS..EExtended strand (participates in β ladder)trans-146.7132.3-177.8-169.3171.5175.400108.6K148 V223 Y225 I226 N243K148-E241 IonicContact NZ-OE1 2.7Å; K148-E241 IonicContact NZ-OE2 2.79Å; K148-E241 PolarHBondContact NZ-OE2 2.68Å; V223-E241 HydrophobicContact CG1-CG 4.42Å; Y225-E241 CarbonylContact C-O 3.6Å; Y225-E241 WeakPolarHBondContact CA-O 3.28Å; Y225-E241 WeakPolarHBondContact CB-O 3.4Å; I226-E241 PolarHBondContact N-O 3.06Å; I226-E241 PolarHBondContact O-N 3.19Å; E241-N243 PolarHBondContact OE1-ND2 3.46Å
242D90.8Very high88Confident87 Ų8798.7 Ų98.747%0.46547%0.466SS..EExtended strand (participates in β ladder)trans-139.2102177.3-163.2-0.5000109.3V239 R244V239-D242 HydrophobicContact CG1-CB 3.81Å; D242-R244 VanDerWaalsContact OD1-CB 3.27Å; D242-R244 WeakPolarHBondContact OD1-CB 3.19Å; D242-R244 WeakPolarHBondContact OD1-CD 3.34Å; D242-R244 WeakPolarHBondContact OD1-CG 3.32Å; D242-R244 PolarHBondContact OD1-N 2.75Å; D242-R244 IonicContact OD1-NE 3.77Å
243N86.6Confident88.2Confident97 Ų97103.1 Ų103.152%0.51948%0.481SS..  trans-111.338.6177.9-59.6-41.7000109.7V223 R224 E241V223-N243 PolarHBondContact O-ND2 3.37Å; R224-N243 CarbonylContact O-C 3.52Å; R224-N243 WeakPolarHBondContact O-CA 3.31Å; R224-N243 PolarHBondContact O-N 2.78Å; E241-N243 PolarHBondContact OE1-ND2 3.46Å
244R71.5Confident88.9Confident195 Ų19595.2 Ų95.274%0.73645%0.449SS*.  trans-69.80-177-87.5175.4-176.7-172.53.7115Y225 D242Y225-R244 HydrophobicContact CD1-CG 4.37Å; D242-R244 VanDerWaalsContact OD1-CB 3.27Å; D242-R244 WeakPolarHBondContact OD1-CB 3.19Å; D242-R244 WeakPolarHBondContact OD1-CD 3.34Å; D242-R244 WeakPolarHBondContact OD1-CG 3.32Å; D242-R244 PolarHBondContact OD1-N 2.75Å; D242-R244 IonicContact OD1-NE 3.77Å

Retrieved 244 of 244 residues in 254.1 ms (Link to these results)