Q9AS74_ORYSJ Loading...

Os01g0168300 protein

AlphaFold DB , UniProt , Accession Q9AS74, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene P0028E10.18, Length 380 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.5Very low52.3Low245 Ų245127.1 Ų127.1100%1.20774%0.736SS**  052.10-68-169.6176.100112.1
2A49.6Very low52.5Low96 Ų96126.6 Ų126.679%0.79373%0.728SS**  trans-119-2.3-173.700000113.8
3A52Low52.4Low91 Ų91129 Ų12975%0.75273%0.728SS**SBendtrans-93.4-9.1-175.100000114.5
4A51.6Low52.6Low88 Ų88124.6 Ų124.673%0.72772%0.716SS**SBendtrans-91.8-8.9-172.800000115
5L50.6Low52.7Low146 Ų146124.3 Ų124.376%0.76471%0.71SS**SBendtrans-100.4-5.2-173-72.3166000114.5
6S53.9Low52.7Low78 Ų78125.5 Ų125.555%0.54571%0.707SS.*SBendtrans-89.2-15.6-17963.20000114.1
7S53.3Low52.7Low95 Ų95130.4 Ų130.466%0.66471%0.712SS**SBendtrans-81.6-28.6-177.5-168.20000113.3R9S7-R9 PolarHBondContact O-N 3.3Å
8S54.5Low52.6Low82 Ų82135.1 Ų135.157%0.57372%0.717SS**Hα-helixtrans-74.1-23.3-175.4-167.50000114.1
9R55Low52.5Low211 Ų211135.8 Ų135.880%0.79672%0.72SS**Hα-helixtrans-78.4-18.8179.6-76.6-174.4175.3-169.9-1114.6S7S7-R9 PolarHBondContact O-N 3.3Å
10R54.2Low52.5Low206 Ų206136.1 Ų136.178%0.77772%0.722SS**Hα-helixtrans-86.6-24.8178.1-63.9-173.5-159.4-176.45.2113
11A54.1Low52.4Low60 Ų60136 Ų13650%0.49672%0.721SS.*Hα-helixtrans-74.1-31179.300000113.5
12L54.1Low52.7Low121 Ų121132.3 Ų132.363%0.63470%0.7SS**Hα-helixtrans-76.9-25.8179.8-80.5165.4000113.8
13H52.4Low52.8Low158 Ų158133.8 Ų133.873%0.73170%0.702SS**Hα-helixtrans-77.1-20.8175-92.8-81.7000113.6
14A54.2Low52.8Low68 Ų68137.3 Ų137.356%0.56271%0.707SS**Hα-helixtrans-79.8-28.5176.400000113
15L53.9Low52.6Low120 Ų120138.9 Ų138.963%0.62871%0.71SS**Hα-helixtrans-79.9-28.8178.5-84.7161.2000113.3R17L15-R17 VanDerWaalsContact C-N 3.27Å; L15-R17 PolarHBondContact O-N 3.01Å
16H53.4Low52.8Low143 Ų143137.8 Ų137.866%0.66271%0.714SS**THydrogen-bonded Turntrans-75.3-14.9179.4-141.7-92.8000113.7
17R52.6Low52.6Low208 Ų208146 Ų14679%0.78573%0.733SS**THydrogen-bonded Turntrans-92.6-13.7179.9-144.8176.4-174.1-177.10.7113.6L15L15-R17 VanDerWaalsContact C-N 3.27Å; L15-R17 PolarHBondContact O-N 3.01Å
18R50.4Low52.2Low216 Ų216150.9 Ų150.982%0.81575%0.745SS**THydrogen-bonded Turntrans-94.1-12.3178.9-110.6-178177.2-171.7-0.8114.5
19L51.9Low52.4Low148 Ų148151.3 Ų151.378%0.77575%0.754SS**SBendtrans-93.4-1.2178.4-76.3164.2000114
20L52.3Low52.9Low142 Ų142146.8 Ų146.874%0.74375%0.752SS**SBendtrans-101.88-179.1-70.9172.6000114.1
21L50.4Low52.7Low134 Ų134143.1 Ų143.170%0.70275%0.754SS**SBendtrans-125.612-170.4-84.8158.1000115.5
22H51.7Low53.2Low168 Ų168147.9 Ų147.978%0.77877%0.77SS**  trans-136.6103.8175.1-77.9-70.2000112.2
23P51.5Low53.2Low127 Ų127147.5 Ų147.583%0.82578%0.775SS**PPolyproline II helixtrans-76.7118.2162.318-5.2000108.7
24L52.1Low52.7Low165 Ų165151.7 Ų151.786%0.86478%0.784SS**PPolyproline II helixtrans-72.4143.3171-88.3138.4000110.7
25P47.6Very low52.8Low120 Ų120157.5 Ų157.578%0.77980%0.799SS**PPolyproline II helixtrans-78.3128-174.631.1-31.7000111.4R27P25-R27 PolarHBondContact O-N 3.3Å
26S55.5Low52.4Low124 Ų124160.4 Ų160.487%0.86781%0.809SS**PPolyproline II helixtrans-70.6121.4173.932.80000111.5
27R49.9Very low52.6Low250 Ų250163.1 Ų163.194%0.94382%0.82SS**PPolyproline II helixtrans-74.9137.2174.2-112177.6176.1-179.2-2111.2P25P25-R27 PolarHBondContact O-N 3.3Å
28H44.8Very low52.8Low198 Ų198159.1 Ų159.192%0.91782%0.82SS**PPolyproline II helixtrans-46.2140.3174.3-81.8-59.1000115.8
29A58.2Low52.8Low91 Ų91154.1 Ų154.175%0.75282%0.818SS**  trans-126.1141.7153.700000109.2
30P66.5Low53.4Low116 Ų116152.8 Ų152.875%0.75382%0.819SS**  trans-84165-168.934.4-35.3000113.6
31P50.3Low53.4Low128 Ų128151.7 Ų151.783%0.83182%0.82SS**  trans-84.4145.4-17234.8-32.5000112.2
32I63.8Low53.2Low161 Ų161150.6 Ų150.683%0.82682%0.824SS**  trans-112140.7174.3-64.9179.1000108.5
33P53.4Low53Low113 Ų113147.8 Ų147.873%0.73482%0.823SS**PPolyproline II helixtrans-83.2153.4-154.931.8-34.6000115.1
34R42.7Very low52.7Low246 Ų246146.9 Ų146.993%0.92882%0.82SS**PPolyproline II helixtrans-82.3132.5177.1-68177.3173.7171.7-3.3111
35H56.8Low52.3Low189 Ų189144.5 Ų144.588%0.87582%0.817SS**PPolyproline II helixtrans-97.8131.8161.6-87.6-72.2000110.7
36H44.9Very low52Low181 Ų181144.4 Ų144.484%0.83882%0.819SS**PPolyproline II helixtrans-69.2139.2177.9-79.7-38.8000113.2
37F57.2Low51.3Low201 Ų201143.6 Ų143.688%0.88281%0.813SS**  trans-138.7146.4145.7-88-79.3000109.3
38P56.8Low51Low123 Ų123136.5 Ų136.580%0.79980%0.802SS**PPolyproline II helixtrans-87.3143.5-162.634-32.4000113.2
39S50.9Low50.8Low111 Ų111138.1 Ų138.178%0.77680%0.8SS**PPolyproline II helixtrans-100.1147174.846.70000112.1
40P63.8Low50Low121 Ų121144 Ų14479%0.78681%0.809SS**PPolyproline II helixtrans-90.1167.316035.9-28.2000111.6
41P53.1Low48.4Very low118 Ų118148 Ų14877%0.76682%0.815SS**PPolyproline II helixtrans-103.9145.7-137.138.2-34.8000117.1
42S46.3Very low47.9Very low112 Ų112148.9 Ų148.978%0.78382%0.818SS**  trans46119.9136.167.10000123.2
43S46Very low46.5Very low109 Ų109147.2 Ų147.276%0.76282%0.816SS**  -158.5102.2123.545.50000108.2
44S45.3Very low46.1Very low108 Ų108148.6 Ų148.676%0.75582%0.822SS**  38.3116.1109.561.40000114.3
45S44.3Very low45.9Very low115 Ų115147.6 Ų147.680%0.80482%0.818SS**  -174.4155.862.844.60000113.3
46S41.3Very low45.6Very low118 Ų118144.7 Ų144.783%0.82582%0.816SS**  trans-11.2160.2158.4-64.60000119.8
47S41.4Very low45.4Very low106 Ų106143.3 Ų143.374%0.74182%0.815SS**  cis171.8153-10.8-174.30000105.9
48S44.2Very low44.4Very low102 Ų102138.2 Ų138.271%0.71381%0.81SS**  trans90.497.1156.585.20000121.2
49R39.5Very low43.5Very low232 Ų232143.6 Ų143.688%0.87581%0.814SS**  18127.1127.4-55.3177.5-160.4158.96.1118.1
50F40.9Very low43.1Very low213 Ų213146.3 Ų146.393%0.93482%0.82SS**  -156.3131.7122.2-88-71.7000111.2
51F33.2Very low42Very low202 Ų202148.5 Ų148.589%0.88682%0.824SS**  trans-73.7144.9166.9-89.9-102000109.8
52T39.8Very low41.3Very low145 Ų145151.8 Ų151.889%0.8983%0.829SS**  -165.6144.9126.340.70000112.3
53T35.5Very low41Very low126 Ų126154 Ų15477%0.77383%0.831SS**  trans-78.1136.6-179.9-179.90000111.5
54T44.3Very low40.8Very low142 Ų142157.9 Ų157.987%0.87184%0.837SS**  trans-144.6126152.5460000111.1
55R38.8Very low40.5Very low225 Ų225157.1 Ų157.185%0.84984%0.837SS**PPolyproline II helixtrans-71150.3165.2-74.8169.3160.5155.6-5.5109.3
56P49.4Very low40.4Very low128 Ų128163.7 Ų163.783%0.83184%0.844SS**PPolyproline II helixtrans-92.6128.9150.228.5-17000109.8
57D41.4Very low40.3Very low153 Ų153169.8 Ų169.882%0.81885%0.849SS**PPolyproline II helixtrans-60.5136.1178.6-85.8-52.1000113.3R59D57-R59 PolarHBondContact O-N 2.84Å
58A35.8Very low40.2Very low94 Ų94172 Ų17278%0.77785%0.852SS**  trans-75.9105.7158.200000108.5
59R39Very low40Very low235 Ų235173.7 Ų173.789%0.88786%0.857SS**  trans-179.489157.2-102162.4-165.7-151.16.1110.2D57D57-R59 PolarHBondContact O-N 2.84Å
60L41.6Very low40.2Very low169 Ų169168.4 Ų168.489%0.88585%0.851SS**  trans-167.4140.1150.9-108.9152.6000108.6
61L40.3Very low40Very low166 Ų166162.1 Ų162.187%0.86985%0.846SS**  trans88.353.7179.6-51.5176.4000116.7
62Q38.8Very low40.1Very low188 Ų188156 Ų15688%0.87984%0.841SS**  trans-8897.8142.9-175.5-17917.300107.5
63L40.4Very low40Very low158 Ų158154.1 Ų154.183%0.82784%0.839SS**  trans172.994.1158-97.5147000108.9
64H42.5Very low40.3Very low190 Ų190159.2 Ų159.288%0.8884%0.844SS**  trans-170.6124.2132.6-102.9102000112
65A38.7Very low40.2Very low92 Ų92158.2 Ų158.276%0.7684%0.843SS**  trans67.880.4143.800000119.5
66R40.6Very low40.2Very low253 Ų253157.8 Ų157.896%0.95585%0.847SS**  trans-70.3121.8135.3-81.9177.6151.2-171.9-6108.7
67R39.9Very low39.6Very low247 Ų247156.2 Ų156.293%0.93285%0.846SS**  trans-145.3115.6151.6-115.4-176-174-158.42111.5
68L39.8Very low39.4Very low151 Ų151154.1 Ų154.179%0.79185%0.85SS**  trans-52.7141161.1-11590.5000111.7V70L68-V70 HydrophobicContact CD2-CG2 4.49Å
69V40.8Very low39.4Very low138 Ų138153 Ų15384%0.83685%0.847SS**  trans-168.2102.1140.6175.80000105.3
70V42.8Very low39.4Very low121 Ų121148.9 Ų148.973%0.73385%0.848SS**  49.2102.679-179.30000115.2L68L68-V70 HydrophobicContact CD2-CG2 4.49Å
71G35.8Very low39.2Very low82 Ų82144.5 Ų144.585%0.84584%0.843SS**  trans83.7141.2138.900000118.6
72G37Very low39Very low74 Ų74140.7 Ų140.776%0.76384%0.844SS**  trans135.882153.100000115.4
73A37.3Very low38.8Very low104 Ų104136 Ų13686%0.8685%0.846SS**  trans-64.2129.9154.500000109.2
74R41.7Very low38.9Very low234 Ų234132.4 Ų132.488%0.88385%0.847SS**  trans-137.3117.1162.4-80.9-168.9169.1-171.1-3.2110.5
75S41.3Very low38.8Very low120 Ų120128.9 Ų128.984%0.83984%0.844SS**  trans-61.9139.4167.6-45.30000110.6
76F39.5Very low39.1Very low216 Ų216129.2 Ų129.295%0.94784%0.841SS**  trans-89.5119.5165.7-74.3-87.6000109
77A36.6Very low39.2Very low96 Ų96125.8 Ų125.879%0.79383%0.833SS**  trans-131.1148.4164.400000108.6
78A36.2Very low39.3Very low109 Ų109121.9 Ų121.990%0.90183%0.83SS**  trans84126.6163.700000119
79G37.5Very low39.7Very low70 Ų70118.9 Ų118.972%0.72283%0.827SS**  trans154.665.9175.700000107.6
80V38Very low40Very low149 Ų149117.9 Ų117.990%0.90382%0.823SS**  47.4107.882-178.90000111.7
81G37.2Very low39.9Very low77 Ų77120.7 Ų120.779%0.79483%0.833SS**  trans169.2106.416600000115.2
82G36.4Very low40.1Very low86 Ų86120 Ų12089%0.88783%0.825SS**  trans73.9124.9153.200000116.9
83G35.7Very low40.3Very low88 Ų88126.4 Ų126.491%0.90784%0.835SS**  cis115.2106.131.300000108.1
84G41.1Very low40.3Very low84 Ų84124.9 Ų124.987%0.86683%0.83SS**  trans173.278.3-179.400000115
85S41Very low40.3Very low116 Ų116120.8 Ų120.881%0.81183%0.831SS**  trans-56142.4167-157.60000110.9
86S45.2Very low40.3Very low98 Ų98125.1 Ų125.169%0.68584%0.835SS**  161.7162.574.944.50000110.4
87K42.6Very low40.3Very low182 Ų182118.5 Ų118.579%0.79183%0.827SS**  trans90.8100.2168.5-64.2-173.9171.1175.90116
88L42.6Very low40.3Very low165 Ų165121.9 Ų121.986%0.86483%0.831SS**  63.4131.683-67.9169.9000110.8
89A47.4Very low40.6Very low88 Ų88119.9 Ų119.973%0.72782%0.821SS**  cis-167.2-166.6-1.500000105
90P46.3Very low41.1Very low116 Ų116124.2 Ų124.275%0.75383%0.827SS**  -111.8155.2-113.921.60.7000115.5
91L40.7Very low41.7Very low181 Ų181119.7 Ų119.795%0.94881%0.811SS**  24.4106.6128.1-137.185000117.2
92G40.2Very low42.8Very low67 Ų67126.4 Ų126.469%0.69181%0.812SS**  trans-170.5110.2164.600000112.1
93Q42.5Very low43.9Very low208 Ų208126.4 Ų126.497%0.97280%0.796SS**  trans67.2116.9161.7-81.8163.5-45.700119.6
94G36.2Very low45.2Very low73 Ų73128 Ų12875%0.75378%0.784SS**  trans146.353.7150.200000116K96G94-K96 VanDerWaalsContact C-N 3.32Å; G94-K96 PolarHBondContact O-N 3.33Å
95V41.1Very low46.6Very low148 Ų148128.3 Ų128.390%0.89777%0.765SS**  trans-75.984.3169.5-153.80000109.1
96K42.3Very low47.9Very low211 Ų211125.9 Ų125.992%0.91775%0.752SS**  trans-150.4107.7162.7-73.9-168.6179176.30109.2G94G94-K96 VanDerWaalsContact C-N 3.32Å; G94-K96 PolarHBondContact O-N 3.33Å
97G39.5Very low49.2Very low76 Ų76123.8 Ų123.878%0.78474%0.741SS**  trans123.368.3169.200000114G99G97-G99 PolarHBondContact O-N 3.19Å
98L36.9Very low50.6Low167 Ų167121.4 Ų121.487%0.87473%0.73SS**  trans-68.575.2161.3-129.686.2000108.3L100L98-L100 PolarHBondContact O-N 3.34Å
99G42.9Very low51.9Low68 Ų68118.7 Ų118.770%0.70172%0.717SS**  trans-79.6108.4176.100000110.5G97 G101G97-G99 PolarHBondContact O-N 3.19Å; G99-G101 PolarHBondContact O-N 3.14Å
100L47.6Very low53Low161 Ų161116.7 Ų116.784%0.84370%0.7SS**  trans-61.553.4171.1-88.178000113.1L98L98-L100 PolarHBondContact O-N 3.34Å
101G50.6Low54.3Low54 Ų54113.3 Ų113.356%0.55768%0.682SS**  trans-102.6-9.4-175.200000115.9G99G99-G101 PolarHBondContact O-N 3.14Å
102R59Low55.7Low218 Ų218106.7 Ų106.782%0.82365%0.653SS**SBendtrans-112.4-2.8-168.8-72.6-177.7155.1-177.7-5.8119.5
103P59.7Low57.2Low86 Ų86112.6 Ų112.656%0.55866%0.655SS**Hα-helixtrans-76.1-29.4178.629.8-32.5000112.8A106 A107P103-A106 PolarHBondContact O-N 2.97Å; P103-A107 VanDerWaalsContact O-CB 3.27Å; P103-A107 WeakPolarHBondContact O-CB 3.4Å; P103-A107 PolarHBondContact O-N 3.45Å
104L64.7Low58.7Low122 Ų122110.9 Ų110.964%0.63964%0.641SS**Hα-helixtrans-69.9-36.3-176.1-75.4171.5000112.8A107 K108L104-A107 PolarHBondContact O-N 2.82Å; L104-K108 WeakPolarHBondContact O-CB 3.3Å; L104-K108 VanDerWaalsContact O-CG 3.24Å; L104-K108 WeakPolarHBondContact O-CG 3.4Å; L104-K108 PolarHBondContact O-N 3.08Å
105D69.2Low60.5Low90 Ų90115 Ų11548%0.48163%0.634SS.*Hα-helixtrans-75.5-35.7178.5-63.6-34.2000111.7K108 N109D105-K108 PolarHBondContact O-N 3.41Å; D105-N109 WeakPolarHBondContact O-CB 3.37Å; D105-N109 PolarHBondContact O-N 3.48Å; D105-N109 PolarHBondContact O-ND2 3.15Å
106A68Low62Low64 Ų64114.5 Ų114.553%0.52962%0.621SS.*Hα-helixtrans-64.3-41.7170.900000111.7P103 N109 A110P103-A106 PolarHBondContact O-N 2.97Å; A106-N109 PolarHBondContact O-N 2.95Å; A106-A110 VanDerWaalsContact O-CB 3.31Å; A106-A110 WeakPolarHBondContact O-CB 3.45Å; A106-A110 PolarHBondContact O-N 3.31Å
107A72.5Confident63.6Low55 Ų55106.9 Ų106.946%0.45560%0.598SS.*Hα-helixtrans-67.8-40176.700000112.5P103 L104 A110 A111P103-A107 VanDerWaalsContact O-CB 3.27Å; P103-A107 WeakPolarHBondContact O-CB 3.4Å; P103-A107 PolarHBondContact O-N 3.45Å; L104-A107 PolarHBondContact O-N 2.82Å; A107-A110 PolarHBondContact O-N 3.33Å; A107-A111 WeakPolarHBondContact O-CB 3.28Å; A107-A111 PolarHBondContact O-N 3.29Å
108K72.1Confident65.4Low132 Ų132106.8 Ų106.857%0.57458%0.582SS**Hα-helixtrans-64.1-41.8174.1-77.2169.7174.8172.50111.7L104 D105 A111 A112L104-K108 WeakPolarHBondContact O-CB 3.3Å; L104-K108 VanDerWaalsContact O-CG 3.24Å; L104-K108 WeakPolarHBondContact O-CG 3.4Å; L104-K108 PolarHBondContact O-N 3.08Å; D105-K108 PolarHBondContact O-N 3.41Å; K108-A111 PolarHBondContact O-N 3.31Å; K108-A112 VanDerWaalsContact O-CB 3.29Å; K108-A112 WeakPolarHBondContact O-CB 3.33Å; K108-A112 PolarHBondContact O-N 3.2Å
109N70.5Confident67.3Low107 Ų10799.9 Ų99.957%0.57255%0.551SS**Hα-helixtrans-68.8-38.9176.9-72.5-23.2000112.1D105 A106 A112 R113D105-N109 WeakPolarHBondContact O-CB 3.37Å; D105-N109 PolarHBondContact O-N 3.48Å; D105-N109 PolarHBondContact O-ND2 3.15Å; A106-N109 PolarHBondContact O-N 2.95Å; N109-A112 PolarHBondContact O-N 2.9Å; N109-R113 WeakPolarHBondContact O-CG 3.44Å; N109-R113 PolarHBondContact O-N 3Å
110A70.6Confident68.9Low46 Ų46102.2 Ų102.238%0.3855%0.547SS..Hα-helixtrans-64.9-46.4172.500000111.1A106 A107 A112 R113 Y114A106-A110 VanDerWaalsContact O-CB 3.31Å; A106-A110 WeakPolarHBondContact O-CB 3.45Å; A106-A110 PolarHBondContact O-N 3.31Å; A107-A110 PolarHBondContact O-N 3.33Å; A110-A112 VanDerWaalsContact C-N 3.3Å; A110-A112 PolarHBondContact O-N 3.48Å; A110-R113 PolarHBondContact O-N 3.4Å; A110-Y114 WeakPolarHBondContact O-CD2 3.29Å; A110-Y114 PolarHBondContact O-N 3.45Å
111A73.4Confident70.4Confident45 Ų45101.4 Ų101.437%0.37254%0.539SS..Hα-helixtrans-62.2-36.5176.300000112.2A107 K108 R115A107-A111 WeakPolarHBondContact O-CB 3.28Å; A107-A111 PolarHBondContact O-N 3.29Å; K108-A111 PolarHBondContact O-N 3.31Å; A111-R115 WeakPolarHBondContact O-CB 3.47Å; A111-R115 WeakPolarHBondContact O-CG 3.48Å; A111-R115 PolarHBondContact O-N 2.92Å
112A70.5Confident71.7Confident42 Ų42102.2 Ų102.235%0.34753%0.533SS..Hα-helixtrans-63.3-48.4173.700000111.2K108 N109 A110 Y114 R115 E116K108-A112 VanDerWaalsContact O-CB 3.29Å; K108-A112 WeakPolarHBondContact O-CB 3.33Å; K108-A112 PolarHBondContact O-N 3.2Å; N109-A112 PolarHBondContact O-N 2.9Å; A110-A112 VanDerWaalsContact C-N 3.3Å; A110-A112 PolarHBondContact O-N 3.48Å; A112-Y114 PolarHBondContact O-N 3.23Å; A112-R115 PolarHBondContact O-N 3.46Å; A112-E116 WeakPolarHBondContact O-CG 3.29Å; A112-E116 PolarHBondContact O-N 3.25Å
113R71.3Confident72.5Confident191 Ų19194.1 Ų94.172%0.72150%0.504SS*.Hα-helixtrans-62.9-39.6176-70.7-172.2-174.3-175.73112.9N109 A110 E116 A117N109-R113 WeakPolarHBondContact O-CG 3.44Å; N109-R113 PolarHBondContact O-N 3Å; A110-R113 PolarHBondContact O-N 3.4Å; R113-E116 PolarHBondContact O-N 2.91Å; R113-A117 WeakPolarHBondContact O-CB 3.48Å; R113-A117 PolarHBondContact O-N 3.31Å
114Y74.4Confident73.4Confident173 Ų17393 Ų9368%0.67850%0.502SS*.Hα-helixtrans-64.8-40.9174-92.2-78.7000111.8A110 A112 E116 A117 V118A110-Y114 WeakPolarHBondContact O-CD2 3.29Å; A110-Y114 PolarHBondContact O-N 3.45Å; A112-Y114 PolarHBondContact O-N 3.23Å; Y114-E116 VanDerWaalsContact C-N 3.34Å; Y114-E116 PolarHBondContact O-N 2.89Å; Y114-A117 PolarHBondContact O-N 2.94Å; Y114-V118 VanDerWaalsContact O-CB 3.25Å; Y114-V118 WeakPolarHBondContact O-CB 3.47Å; Y114-V118 WeakPolarHBondContact O-CG2 3.45Å; Y114-V118 PolarHBondContact O-N 3.44Å
115R73.8Confident74.2Confident160 Ų16092.8 Ų92.860%0.60450%0.496SS*.Hα-helixtrans-64-38.5176.1-78.6176.7-179.3-154.82.1112.2A111 A112 G119 F236A111-R115 WeakPolarHBondContact O-CB 3.47Å; A111-R115 WeakPolarHBondContact O-CG 3.48Å; A111-R115 PolarHBondContact O-N 2.92Å; A112-R115 PolarHBondContact O-N 3.46Å; R115-G119 WeakPolarHBondContact O-CA 3.49Å; R115-G119 PolarHBondContact O-N 2.91Å; R115-F236 HydrophobicContact CB-CE2 4.42Å; R115-F236 HydrophobicContact CB-CZ 4.11Å; R115-F236 HydrophobicContact CG-CZ 4.06Å
116E71.8Confident74.6Confident136 Ų13692.1 Ų92.164%0.63649%0.487SS*.Hα-helixtrans-67.2-46.9175.7-73.3175-177.400111.7A112 R113 Y114 G119 L120A112-E116 WeakPolarHBondContact O-CG 3.29Å; A112-E116 PolarHBondContact O-N 3.25Å; R113-E116 PolarHBondContact O-N 2.91Å; Y114-E116 VanDerWaalsContact C-N 3.34Å; Y114-E116 PolarHBondContact O-N 2.89Å; E116-G119 PolarHBondContact O-N 3.39Å; E116-L120 WeakPolarHBondContact O-CG 3.39Å; E116-L120 PolarHBondContact O-N 3.29Å
117A76.4Confident74.9Confident51 Ų5196.9 Ų96.942%0.42149%0.491SS..Hα-helixtrans-64.7-44.1178.400000112.6R113 Y114 G119 L120 Q121R113-A117 WeakPolarHBondContact O-CB 3.48Å; R113-A117 PolarHBondContact O-N 3.31Å; Y114-A117 PolarHBondContact O-N 2.94Å; A117-G119 VanDerWaalsContact C-N 3.35Å; A117-L120 PolarHBondContact O-N 2.87Å; A117-Q121 PolarHBondContact O-N 3.21Å; A117-Q121 VanDerWaalsContact O-N 3.11Å
118V78.1Confident75.3Confident74 Ų74104.4 Ų104.445%0.44851%0.508SS..Hα-helixtrans-66.9-38.9175.3173.50000110.3Y114 L120 Q121 V122Y114-V118 VanDerWaalsContact O-CB 3.25Å; Y114-V118 WeakPolarHBondContact O-CB 3.47Å; Y114-V118 WeakPolarHBondContact O-CG2 3.45Å; Y114-V118 PolarHBondContact O-N 3.44Å; V118-L120 VanDerWaalsContact C-N 3.33Å; V118-L120 PolarHBondContact O-N 3.43Å; V118-Q121 PolarHBondContact O-N 2.93Å; V118-V122 HydrophobicContact CG1-CG2 3.92Å; V118-V122 WeakPolarHBondContact O-CB 3.32Å; V118-V122 WeakPolarHBondContact O-CG2 3.38Å; V118-V122 PolarHBondContact O-N 2.84Å
119G75.6Confident75.9Confident22 Ų22100 Ų10023%0.22749%0.49CS..Hα-helixtrans-57.9-44.2175.800000112.4R115 E116 A117 V122 E123R115-G119 WeakPolarHBondContact O-CA 3.49Å; R115-G119 PolarHBondContact O-N 2.91Å; E116-G119 PolarHBondContact O-N 3.39Å; A117-G119 VanDerWaalsContact C-N 3.35Å; G119-V122 PolarHBondContact O-N 3.38Å; G119-E123 VanDerWaalsContact O-CB 3.29Å; G119-E123 WeakPolarHBondContact O-CB 3.48Å; G119-E123 PolarHBondContact O-N 2.91Å
120L76.2Confident76.4Confident118 Ų118100.2 Ų100.262%0.61848%0.484SS*.Hα-helixtrans-66-40.3175.8-71168.8000112.4E116 A117 V118 E123 A124E116-L120 WeakPolarHBondContact O-CG 3.39Å; E116-L120 PolarHBondContact O-N 3.29Å; A117-L120 PolarHBondContact O-N 2.87Å; V118-L120 VanDerWaalsContact C-N 3.33Å; V118-L120 PolarHBondContact O-N 3.43Å; L120-E123 PolarHBondContact O-N 3.43Å; L120-A124 WeakPolarHBondContact O-CB 3.39Å; L120-A124 PolarHBondContact O-N 3.34Å
121Q79.3Confident76.9Confident144 Ų144104.9 Ų104.967%0.67350%0.5SS*.Hα-helixtrans-68.1-41176.1-73.2-174.50.900112.5A117 V118 A124 F125A117-Q121 PolarHBondContact O-N 3.21Å; A117-Q121 VanDerWaalsContact O-N 3.11Å; V118-Q121 PolarHBondContact O-N 2.93Å; Q121-A124 PolarHBondContact O-N 2.87Å; Q121-F125 VanDerWaalsContact O-CB 3.29Å; Q121-F125 WeakPolarHBondContact O-CB 3.33Å; Q121-F125 PolarHBondContact O-N 3.47Å
122V77.8Confident77.5Confident71 Ų71108.7 Ų108.743%0.4351%0.513SS..Hα-helixtrans-65.2-41.1175.2171.80000110V118 G119 F125 W126V118-V122 HydrophobicContact CG1-CG2 3.92Å; V118-V122 WeakPolarHBondContact O-CB 3.32Å; V118-V122 WeakPolarHBondContact O-CG2 3.38Å; V118-V122 PolarHBondContact O-N 2.84Å; G119-V122 PolarHBondContact O-N 3.38Å; V122-F125 PolarHBondContact O-N 3.48Å; V122-W126 VanDerWaalsContact O-CB 3.25Å; V122-W126 WeakPolarHBondContact O-CB 3.42Å; V122-W126 PolarHBondContact O-N 3.49Å
123E77Confident78.2Confident48 Ų48110.2 Ų110.222%0.22452%0.515CS..Hα-helixtrans-63.5-44.2175.3-174.8174-177.700111.7G119 L120 W126 R127G119-E123 VanDerWaalsContact O-CB 3.29Å; G119-E123 WeakPolarHBondContact O-CB 3.48Å; G119-E123 PolarHBondContact O-N 2.91Å; L120-E123 PolarHBondContact O-N 3.43Å; E123-W126 PolarHBondContact O-N 3.04Å; E123-R127 WeakPolarHBondContact O-CG 3.32Å; E123-R127 PolarHBondContact O-N 3.24Å; E123-R127 IonicContact OE1-CZ 2.62Å; E123-R127 IonicContact OE1-NE 3.81Å; E123-R127 IonicContact OE1-NH2 3.91Å; E123-R127 PolarHBondContact OE1-NH2 3.45Å
124A78.5Confident78.9Confident62 Ų62104.4 Ų104.451%0.51250%0.501SS..Hα-helixtrans-62.7-44.3175.900000111.8L120 Q121 R127 R128L120-A124 WeakPolarHBondContact O-CB 3.39Å; L120-A124 PolarHBondContact O-N 3.34Å; Q121-A124 PolarHBondContact O-N 2.87Å; A124-R127 PolarHBondContact O-N 2.92Å; A124-R128 WeakPolarHBondContact O-CB 3.32Å; A124-R128 PolarHBondContact O-N 3.44Å; A124-R128 VanDerWaalsContact O-N 3.09Å
125F80.6Confident79.6Confident117 Ų11797.9 Ų97.951%0.51349%0.486SS..Hα-helixtrans-63.2-43.9176.1-178.2-95.3000111.6Q121 V122 R128 N129 L133Q121-F125 VanDerWaalsContact O-CB 3.29Å; Q121-F125 WeakPolarHBondContact O-CB 3.33Å; Q121-F125 PolarHBondContact O-N 3.47Å; V122-F125 PolarHBondContact O-N 3.48Å; F125-R128 PolarHBondContact O-N 3.44Å; F125-N129 WeakPolarHBondContact CD2-ND2 3.34Å; F125-N129 HydrophobicContact CE1-CB 4.34Å; F125-N129 WeakPolarHBondContact CE2-ND2 3.43Å; F125-N129 HydrophobicContact CZ-CB 4.31Å; F125-N129 WeakPolarHBondContact CZ-ND2 3.29Å; F125-N129 WeakPolarHBondContact O-CB 3.39Å; F125-N129 PolarHBondContact O-N 3.08Å; F125-L133 HydrophobicContact CD1-CD1 4.27Å; F125-L133 HydrophobicContact CE1-CD1 4.05Å
126W78.1Confident80.5Confident76 Ų7693 Ų9329%0.28848%0.479SS..Hα-helixtrans-66.5-39.9-179-157.43.3000111.6V122 E123 Y130 L133 P231 F238V122-W126 VanDerWaalsContact O-CB 3.25Å; V122-W126 WeakPolarHBondContact O-CB 3.42Å; V122-W126 PolarHBondContact O-N 3.49Å; E123-W126 PolarHBondContact O-N 3.04Å; W126-Y130 WeakPolarHBondContact O-CA 3.39Å; W126-Y130 WeakPolarHBondContact O-CB 3.21Å; W126-Y130 PolarHBondContact O-N 3.31Å; W126-L133 HydrophobicContact CG-CD1 4.12Å; W126-P231 HydrophobicContact CD2-CG 4.46Å; W126-P231 HydrophobicContact CE3-CB 4.37Å; W126-P231 HydrophobicContact CZ3-CB 4.41Å; W126-F238 HydrophobicContact CE3-CE2 4.27Å; W126-F238 AromaticContact CH2-CD2 3.34Å; W126-F238 HydrophobicContact CH2-CD2 3.34Å; W126-F238 AromaticContact CH2-CE2 2.94Å; W126-F238 HydrophobicContact CH2-CE2 2.94Å; W126-F238 HydrophobicContact CH2-CG 4.36Å; W126-F238 AromaticContact CH2-CZ 3.71Å; W126-F238 HydrophobicContact CH2-CZ 3.71Å; W126-F238 HydrophobicContact CZ2-CD2 4.41Å; W126-F238 AromaticContact CZ2-CE2 3.63Å; W126-F238 HydrophobicContact CZ2-CE2 3.63Å; W126-F238 HydrophobicContact CZ2-CZ 4.02Å; W126-F238 AromaticContact CZ3-CD2 3.48Å; W126-F238 HydrophobicContact CZ3-CD2 3.48Å; W126-F238 VanDerWaalsContact CZ3-CD2 3.48Å; W126-F238 AromaticContact CZ3-CE2 3.3Å; W126-F238 HydrophobicContact CZ3-CE2 3.3Å; W126-F238 HydrophobicContact CZ3-CZ 4.42Å
127R75.5Confident81.4Confident164 Ų16488.1 Ų88.162%0.61947%0.466SS*.Hα-helixtrans-63.6-41.3174.3-74.3-176.3-170.8-175.86.6112.1E123 A124E123-R127 WeakPolarHBondContact O-CG 3.32Å; E123-R127 PolarHBondContact O-N 3.24Å; E123-R127 IonicContact OE1-CZ 2.62Å; E123-R127 IonicContact OE1-NE 3.81Å; E123-R127 IonicContact OE1-NH2 3.91Å; E123-R127 PolarHBondContact OE1-NH2 3.45Å; A124-R127 PolarHBondContact O-N 2.92Å
128R80.5Confident82.1Confident214 Ų21487.5 Ų87.581%0.80846%0.461SS*.Hα-helixtrans-69.2-40179.5-172.9173.1-178.61681112.6A124 F125A124-R128 WeakPolarHBondContact O-CB 3.32Å; A124-R128 PolarHBondContact O-N 3.44Å; A124-R128 VanDerWaalsContact O-N 3.09Å; F125-R128 PolarHBondContact O-N 3.44Å
129N83.5Confident82.8Confident38 Ų3888 Ų8820%0.20346%0.464CS..Hα-helixtrans-11519.4-170.5-63.8-38.5000113.8F125 M131 L132 L133F125-N129 WeakPolarHBondContact CD2-ND2 3.34Å; F125-N129 HydrophobicContact CE1-CB 4.34Å; F125-N129 WeakPolarHBondContact CE2-ND2 3.43Å; F125-N129 HydrophobicContact CZ-CB 4.31Å; F125-N129 WeakPolarHBondContact CZ-ND2 3.29Å; F125-N129 WeakPolarHBondContact O-CB 3.39Å; F125-N129 PolarHBondContact O-N 3.08Å; N129-M131 VanDerWaalsContact C-N 3.27Å; N129-M131 PolarHBondContact O-N 2.89Å; N129-L132 PolarHBondContact O-N 3.28Å; N129-L133 PolarHBondContact O-N 3.47Å
130Y80.9Confident83.7Confident112 Ų11291.6 Ų91.644%0.43948%0.481SS..Hα-helixtrans-52.7-43.9-177.8153.5-98.5000112.3W126 L132 L133 V134W126-Y130 WeakPolarHBondContact O-CA 3.39Å; W126-Y130 WeakPolarHBondContact O-CB 3.21Å; W126-Y130 PolarHBondContact O-N 3.31Å; Y130-L132 PolarHBondContact O-N 2.88Å; Y130-L133 PolarHBondContact O-N 2.95Å; Y130-V134 HydrophobicContact CD2-CG2 3.68Å; Y130-V134 HydrophobicContact CE2-CG2 3.28Å; Y130-V134 HydrophobicContact CG-CG2 4.48Å; Y130-V134 WeakPolarHBondContact O-CB 3.28Å; Y130-V134 VanDerWaalsContact O-CG2 3.31Å; Y130-V134 WeakPolarHBondContact O-CG2 3.4Å; Y130-V134 PolarHBondContact O-N 3.39Å
131M80.9Confident84.5Confident144 Ų14489.6 Ų89.671%0.70947%0.474SS*.Hα-helixtrans-63.7-39.9179.9-70.3-63.1-137.100112.4N129 G135N129-M131 VanDerWaalsContact C-N 3.27Å; N129-M131 PolarHBondContact O-N 2.89Å; M131-G135 PolarHBondContact O-N 2.99Å
132L86.7Confident85.1Confident126 Ų12683.4 Ų83.466%0.6645%0.446SS*.Hα-helixtrans-68.6-42.9177.5-68.3174.1000111.3N129 Y130 G135 A136N129-L132 PolarHBondContact O-N 3.28Å; Y130-L132 PolarHBondContact O-N 2.88Å; L132-G135 PolarHBondContact O-N 3.13Å; L132-A136 WeakPolarHBondContact O-CB 3.33Å; L132-A136 PolarHBondContact O-N 2.91Å
133L86.2Confident85.7Confident73 Ų7383.5 Ų83.538%0.38244%0.444SS..Hα-helixtrans-64.9-41.6177.9-73.6165.1000111.9F125 W126 N129 Y130 G137F125-L133 HydrophobicContact CD1-CD1 4.27Å; F125-L133 HydrophobicContact CE1-CD1 4.05Å; W126-L133 HydrophobicContact CG-CD1 4.12Å; N129-L133 PolarHBondContact O-N 3.47Å; Y130-L133 PolarHBondContact O-N 2.95Å; L133-G137 PolarHBondContact O-N 3.29Å
134V85.5Confident86.4Confident70 Ų7083.7 Ų83.742%0.42445%0.454SS..Hα-helixtrans-65-42.5173.4170.40000111.1Y130 G137 A138Y130-V134 HydrophobicContact CD2-CG2 3.68Å; Y130-V134 HydrophobicContact CE2-CG2 3.28Å; Y130-V134 HydrophobicContact CG-CG2 4.48Å; Y130-V134 WeakPolarHBondContact O-CB 3.28Å; Y130-V134 VanDerWaalsContact O-CG2 3.31Å; Y130-V134 WeakPolarHBondContact O-CG2 3.4Å; Y130-V134 PolarHBondContact O-N 3.39Å; V134-G137 PolarHBondContact O-N 3.46Å; V134-A138 WeakPolarHBondContact O-CB 3.46Å; V134-A138 PolarHBondContact O-N 3.18Å
135G89.5Confident87Confident35 Ų3583.5 Ų83.536%0.36144%0.443SS..Hα-helixtrans-60.6-49.7176.300000112.5M131 L132 G137 A138 V139M131-G135 PolarHBondContact O-N 2.99Å; L132-G135 PolarHBondContact O-N 3.13Å; G135-G137 PolarHBondContact O-N 3.36Å; G135-A138 WeakPolarHBondContact O-CB 3.33Å; G135-A138 PolarHBondContact O-N 2.9Å; G135-V139 WeakPolarHBondContact O-CG2 3.46Å; G135-V139 PolarHBondContact O-N 2.86Å
136A92.1Very high87.3Confident57 Ų5781.1 Ų81.147%0.47143%0.431SS..Hα-helixtrans-61.4-43.9176.700000111.8L132 A138 V139 V140L132-A136 WeakPolarHBondContact O-CB 3.33Å; L132-A136 PolarHBondContact O-N 2.91Å; A136-A138 VanDerWaalsContact C-N 3.34Å; A136-A138 PolarHBondContact O-N 3.48Å; A136-V139 PolarHBondContact O-N 3.47Å; A136-V140 WeakPolarHBondContact O-CG2 3.46Å; A136-V140 PolarHBondContact O-N 2.85Å
137G91.2Very high87.7Confident35 Ų3585.2 Ų85.236%0.36145%0.447SS..Hα-helixtrans-59.5-42.3174.700000112.8L133 V134 G135 V139 V140 V141L133-G137 PolarHBondContact O-N 3.29Å; V134-G137 PolarHBondContact O-N 3.46Å; G135-G137 PolarHBondContact O-N 3.36Å; G137-V139 VanDerWaalsContact C-N 3.34Å; G137-V139 PolarHBondContact O-N 3.31Å; G137-V140 PolarHBondContact O-N 3.45Å; G137-V141 WeakPolarHBondContact O-CG2 3.27Å; G137-V141 PolarHBondContact O-N 3.37Å
138A91.2Very high88.2Confident37 Ų3781.6 Ų81.631%0.30644%0.443SS..Hα-helixtrans-62.8-39.1176.500000112.2V134 G135 A136 V141 C142 V176V134-A138 WeakPolarHBondContact O-CB 3.46Å; V134-A138 PolarHBondContact O-N 3.18Å; G135-A138 WeakPolarHBondContact O-CB 3.33Å; G135-A138 PolarHBondContact O-N 2.9Å; A136-A138 VanDerWaalsContact C-N 3.34Å; A136-A138 PolarHBondContact O-N 3.48Å; A138-V141 PolarHBondContact O-N 2.93Å; A138-C142 VanDerWaalsContact O-CB 3.31Å; A138-C142 WeakPolarHBondContact O-CB 3.36Å; A138-C142 PolarHBondContact O-N 2.84Å; A138-V176 HydrophobicContact CB-CG1 3.95Å
139V93Very high88.3Confident85 Ų8573.2 Ų73.252%0.51541%0.413SS..Hα-helixtrans-64.3-44.6175174.20000111.1G135 A136 G137 V141 C142 I143G135-V139 WeakPolarHBondContact O-CG2 3.46Å; G135-V139 PolarHBondContact O-N 2.86Å; A136-V139 PolarHBondContact O-N 3.47Å; G137-V139 VanDerWaalsContact C-N 3.34Å; G137-V139 PolarHBondContact O-N 3.31Å; V139-V141 PolarHBondContact O-N 2.9Å; V139-C142 WeakPolarHBondContact O-CB 3.48Å; V139-C142 PolarHBondContact O-N 2.89Å; V139-I143 HydrophobicContact CG1-CD1 3.88Å; V139-I143 HydrophobicContact CG1-CG1 4.44Å; V139-I143 WeakPolarHBondContact O-CG1 3.44Å; V139-I143 PolarHBondContact O-N 2.89Å
140V93.6Very high88.1Confident98 Ų9874.5 Ų74.559%0.59442%0.417SS*.Hα-helixtrans-60.3-46177.1173.20000111.1A136 G137 C142 I143 A144A136-V140 WeakPolarHBondContact O-CG2 3.46Å; A136-V140 PolarHBondContact O-N 2.85Å; G137-V140 PolarHBondContact O-N 3.45Å; V140-C142 VanDerWaalsContact C-N 3.32Å; V140-C142 PolarHBondContact O-N 3.26Å; V140-I143 PolarHBondContact O-N 2.89Å; V140-A144 WeakPolarHBondContact O-CB 3.49Å; V140-A144 PolarHBondContact O-N 3.28Å
141V92.9Very high88.1Confident76 Ų7670.8 Ų70.846%0.46141%0.412SS..Hα-helixtrans-62-40.81761730000111.1G137 A138 V139 A144 L145 V176G137-V141 WeakPolarHBondContact O-CG2 3.27Å; G137-V141 PolarHBondContact O-N 3.37Å; A138-V141 PolarHBondContact O-N 2.93Å; V139-V141 PolarHBondContact O-N 2.9Å; V141-A144 PolarHBondContact O-N 3.49Å; V141-L145 HydrophobicContact CG1-CD1 3.89Å; V141-L145 HydrophobicContact CG1-CG 4.36Å; V141-L145 WeakPolarHBondContact O-CB 3.31Å; V141-L145 WeakPolarHBondContact O-CG 3.34Å; V141-L145 PolarHBondContact O-N 3.49Å; V141-V176 HydrophobicContact CG1-CG2 4.07Å
142C92Very high88.1Confident14 Ų1468.5 Ų68.510%0.09540%0.402CS..Hα-helixtrans-61.9-44.1176.3-173.10000112.1A138 V139 V140 W146 T173 V176A138-C142 VanDerWaalsContact O-CB 3.31Å; A138-C142 WeakPolarHBondContact O-CB 3.36Å; A138-C142 PolarHBondContact O-N 2.84Å; V139-C142 WeakPolarHBondContact O-CB 3.48Å; V139-C142 PolarHBondContact O-N 2.89Å; V140-C142 VanDerWaalsContact C-N 3.32Å; V140-C142 PolarHBondContact O-N 3.26Å; C142-W146 VanDerWaalsContact O-CB 3.28Å; C142-W146 WeakPolarHBondContact O-CB 3.47Å; C142-W146 PolarHBondContact O-N 3.42Å; C142-T173 WeakPolarHBondContact SG-CG2 3.4Å; C142-V176 HydrophobicContact CB-CG2 4.18Å
143I90.7Very high87.6Confident73 Ų7363.7 Ų63.737%0.37438%0.38SS..Hα-helixtrans-64.5-44.2176.7-66.6166.7000110.1V139 V140 W146 R147V139-I143 HydrophobicContact CG1-CD1 3.88Å; V139-I143 HydrophobicContact CG1-CG1 4.44Å; V139-I143 WeakPolarHBondContact O-CG1 3.44Å; V139-I143 PolarHBondContact O-N 2.89Å; V140-I143 PolarHBondContact O-N 2.89Å; I143-W146 PolarHBondContact O-N 3.34Å; I143-R147 HydrophobicContact CG2-CG 4.4Å; I143-R147 VanDerWaalsContact O-CG 3.22Å; I143-R147 WeakPolarHBondContact O-CG 3.36Å; I143-R147 PolarHBondContact O-N 2.84Å
144A92.2Very high86.9Confident52 Ų5263.9 Ų63.943%0.4339%0.388SS..Hα-helixtrans-60.9-48.2177.900000111.8V140 V141 W146 R147 V148V140-A144 WeakPolarHBondContact O-CB 3.49Å; V140-A144 PolarHBondContact O-N 3.28Å; V141-A144 PolarHBondContact O-N 3.49Å; A144-W146 PolarHBondContact O-N 2.94Å; A144-R147 PolarHBondContact O-N 2.83Å; A144-V148 WeakPolarHBondContact O-CG2 3.39Å; A144-V148 PolarHBondContact O-N 3.23Å
145L90.3Very high86.1Confident57 Ų5765.3 Ų65.330%0.29840%0.397SS..Hα-helixtrans-60.5-45.5176-77.6169.6000111.8V141 R147 V148 M149 A172 V176V141-L145 HydrophobicContact CG1-CD1 3.89Å; V141-L145 HydrophobicContact CG1-CG 4.36Å; V141-L145 WeakPolarHBondContact O-CB 3.31Å; V141-L145 WeakPolarHBondContact O-CG 3.34Å; V141-L145 PolarHBondContact O-N 3.49Å; L145-R147 VanDerWaalsContact C-N 3.3Å; L145-R147 PolarHBondContact O-N 3.15Å; L145-V148 PolarHBondContact O-N 3.35Å; L145-M149 WeakPolarHBondContact O-CB 3.36Å; L145-M149 VanDerWaalsContact O-CG 3.25Å; L145-M149 WeakPolarHBondContact O-CG 3.29Å; L145-M149 PolarHBondContact O-N 2.92Å; L145-A172 HydrophobicContact CB-CB 4.11Å; L145-V176 HydrophobicContact CD1-CG2 3.74Å
146W86.3Confident84.9Confident67 Ų6771.5 Ų71.525%0.25441%0.414SS..Hα-helixtrans-58-43.8176.4172.239.2000111.7C142 I143 A144 M149 F150 K165 L169 A172C142-W146 VanDerWaalsContact O-CB 3.28Å; C142-W146 WeakPolarHBondContact O-CB 3.47Å; C142-W146 PolarHBondContact O-N 3.42Å; I143-W146 PolarHBondContact O-N 3.34Å; A144-W146 PolarHBondContact O-N 2.94Å; W146-M149 PolarHBondContact O-N 3.32Å; W146-F150 VanDerWaalsContact O-CB 3.28Å; W146-F150 WeakPolarHBondContact O-CB 3.35Å; W146-F150 PolarHBondContact O-N 2.99Å; W146-K165 PolarHBondContact NE1-O 3.12Å; W146-L169 HydrophobicContact CB-CD1 4.18Å; W146-L169 HydrophobicContact CD2-CB 4.42Å; W146-L169 HydrophobicContact CD2-CD1 3.81Å; W146-L169 HydrophobicContact CE3-CD1 3.88Å; W146-L169 HydrophobicContact CG-CB 4.33Å; W146-L169 HydrophobicContact CG-CD1 3.95Å; W146-A172 HydrophobicContact CB-CB 4.22Å
147R87.5Confident83.4Confident163 Ų16372.7 Ų72.762%0.61542%0.415SS*.Hα-helixtrans-64.6-42.8177.6-69.1-70174.779.70.8112.4I143 A144 L145 G151I143-R147 HydrophobicContact CG2-CG 4.4Å; I143-R147 VanDerWaalsContact O-CG 3.22Å; I143-R147 WeakPolarHBondContact O-CG 3.36Å; I143-R147 PolarHBondContact O-N 2.84Å; A144-R147 PolarHBondContact O-N 2.83Å; L145-R147 VanDerWaalsContact C-N 3.3Å; L145-R147 PolarHBondContact O-N 3.15Å; R147-G151 PolarHBondContact O-N 3.37Å
148V85.9Confident81.9Confident88 Ų8875.3 Ų75.353%0.53344%0.442SS..Hα-helixtrans-63.5-47.9176.7171.80000110.7A144 L145 G151 I152A144-V148 WeakPolarHBondContact O-CG2 3.39Å; A144-V148 PolarHBondContact O-N 3.23Å; L145-V148 PolarHBondContact O-N 3.35Å; V148-G151 PolarHBondContact O-N 2.82Å; V148-I152 HydrophobicContact CG1-CD1 3.73Å; V148-I152 VanDerWaalsContact O-CG1 3.29Å; V148-I152 WeakPolarHBondContact O-CG1 3.48Å; V148-I152 PolarHBondContact O-N 2.88Å
149M83Confident80.1Confident38 Ų3879.5 Ų79.519%0.18746%0.459CS..Hα-helixtrans-64.3-43.4-180-70.8177.774.800112.4L145 W146 G151 I152 A153 F168 L171 A172L145-M149 WeakPolarHBondContact O-CB 3.36Å; L145-M149 VanDerWaalsContact O-CG 3.25Å; L145-M149 WeakPolarHBondContact O-CG 3.29Å; L145-M149 PolarHBondContact O-N 2.92Å; W146-M149 PolarHBondContact O-N 3.32Å; M149-G151 VanDerWaalsContact C-N 3.35Å; M149-I152 PolarHBondContact O-N 3.49Å; M149-A153 VanDerWaalsContact O-CB 3.23Å; M149-A153 WeakPolarHBondContact O-CB 3.48Å; M149-A153 PolarHBondContact O-N 3.23Å; M149-F168 HydrophobicContact CB-CD1 4.2Å; M149-F168 HydrophobicContact CE-CD1 3.76Å; M149-F168 HydrophobicContact CE-CE1 4.44Å; M149-L171 HydrophobicContact CE-CB 4.1Å; M149-L171 HydrophobicContact CE-CD1 3.59Å; M149-L171 HydrophobicContact CE-CD2 3.61Å; M149-L171 HydrophobicContact CE-CG 3.95Å; M149-L171 HydrophobicContact SD-CD2 4.24Å; M149-A172 HydrophobicContact SD-CB 4.36Å
150F78.6Confident78.3Confident65 Ų6579.5 Ų79.529%0.28546%0.463SS..Hα-helixtrans-66.2-39177-172.1-102.4000111.6W146 A153 S154 K165 F168W146-F150 VanDerWaalsContact O-CB 3.28Å; W146-F150 WeakPolarHBondContact O-CB 3.35Å; W146-F150 PolarHBondContact O-N 2.99Å; F150-A153 PolarHBondContact O-N 3.31Å; F150-S154 VanDerWaalsContact O-CB 3.31Å; F150-S154 WeakPolarHBondContact O-CB 3.49Å; F150-S154 PolarHBondContact O-N 2.83Å; F150-S154 PolarHBondContact O-OG 3.08Å; F150-K165 HydrophobicContact CD2-CG 3.88Å; F150-K165 HydrophobicContact CE2-CD 4.12Å; F150-K165 HydrophobicContact CE2-CG 3.32Å; F150-K165 HydrophobicContact CZ-CD 4.17Å; F150-K165 HydrophobicContact CZ-CG 3.87Å; F150-F168 HydrophobicContact CD2-CD2 4.38Å
151G81.6Confident77Confident33 Ų3382.1 Ų82.134%0.3447%0.468SS..Hα-helixtrans-59.7-49.1174.400000112.3R147 V148 M149 S154R147-G151 PolarHBondContact O-N 3.37Å; V148-G151 PolarHBondContact O-N 2.82Å; M149-G151 VanDerWaalsContact C-N 3.35Å; G151-S154 PolarHBondContact O-N 3.33Å; G151-S154 PolarHBondContact O-OG 3.46Å
152I80.9Confident75.7Confident97 Ų9780.5 Ų80.550%0.49747%0.467SS..Hα-helixtrans-67-40.9177.6-60.7162.9000111.1V148 M149 S154 T155 F156V148-I152 HydrophobicContact CG1-CD1 3.73Å; V148-I152 VanDerWaalsContact O-CG1 3.29Å; V148-I152 WeakPolarHBondContact O-CG1 3.48Å; V148-I152 PolarHBondContact O-N 2.88Å; M149-I152 PolarHBondContact O-N 3.49Å; I152-S154 VanDerWaalsContact C-N 3.3Å; I152-S154 PolarHBondContact O-N 3.09Å; I152-T155 PolarHBondContact O-N 2.93Å; I152-T155 PolarHBondContact O-OG1 3.41Å; I152-F156 HydrophobicContact CG2-CD2 4.17Å; I152-F156 HydrophobicContact CG2-CE2 4.31Å; I152-F156 WeakPolarHBondContact O-CD2 3.22Å
153A74.8Confident74.4Confident24 Ų2487.2 Ų87.220%0.19850%0.499CS..Hα-helixtrans-64.4-38179.500000112M149 F150 T155 F156 V157 F168M149-A153 VanDerWaalsContact O-CB 3.23Å; M149-A153 WeakPolarHBondContact O-CB 3.48Å; M149-A153 PolarHBondContact O-N 3.23Å; F150-A153 PolarHBondContact O-N 3.31Å; A153-T155 PolarHBondContact O-N 3.36Å; A153-F156 PolarHBondContact O-N 3.43Å; A153-V157 PolarHBondContact O-N 3Å; A153-V157 VanDerWaalsContact O-N 3.09Å; A153-F168 HydrophobicContact CB-CD2 4.4Å; A153-F168 HydrophobicContact CB-CE1 4.09Å; A153-F168 HydrophobicContact CB-CE2 3.51Å; A153-F168 HydrophobicContact CB-CZ 3.32Å
154S71.6Confident73.6Confident77 Ų7785.1 Ų85.154%0.53849%0.493SS..Hα-helixtrans-63.9-21179.469.90000113.8F150 G151 I152F150-S154 VanDerWaalsContact O-CB 3.31Å; F150-S154 WeakPolarHBondContact O-CB 3.49Å; F150-S154 PolarHBondContact O-N 2.83Å; F150-S154 PolarHBondContact O-OG 3.08Å; G151-S154 PolarHBondContact O-N 3.33Å; G151-S154 PolarHBondContact O-OG 3.46Å; I152-S154 VanDerWaalsContact C-N 3.3Å; I152-S154 PolarHBondContact O-N 3.09Å
155T70Confident72.8Confident100 Ų10085.8 Ų85.861%0.61349%0.486SS*.Hα-helixtrans-87.7-24.3177.359.40000113.6I152 A153I152-T155 PolarHBondContact O-N 2.93Å; I152-T155 PolarHBondContact O-OG1 3.41Å; A153-T155 PolarHBondContact O-N 3.36Å
156F64.5Low72.4Confident166 Ų16691.2 Ų91.273%0.72850%0.504SS*.Hα-helixtrans-107.6-23.4-172.7-73.9-75.4000114.6I152 A153I152-F156 HydrophobicContact CG2-CD2 4.17Å; I152-F156 HydrophobicContact CG2-CE2 4.31Å; I152-F156 WeakPolarHBondContact O-CD2 3.22Å; A153-F156 PolarHBondContact O-N 3.43Å
157V59.8Low72.4Confident81 Ų8190 Ų9049%0.49151%0.512SS..  trans-144.9120.9179.8-149.10000111.2A153 L159A153-V157 PolarHBondContact O-N 3Å; A153-V157 VanDerWaalsContact O-N 3.09Å; V157-L159 HydrophobicContact CB-CB 4.38Å; V157-L159 HydrophobicContact CB-CD1 3.96Å; V157-L159 HydrophobicContact CB-CG 4.08Å; V157-L159 HydrophobicContact CG1-CB 4.19Å; V157-L159 HydrophobicContact CG1-CD1 3.49Å; V157-L159 VanDerWaalsContact CG1-CD1 3.49Å; V157-L159 HydrophobicContact CG1-CG 3.42Å; V157-L159 VanDerWaalsContact CG1-CG 3.42Å; V157-L159 HydrophobicContact CG2-CD1 4.49Å; V157-L159 PolarHBondContact O-N 3.06Å
158G59.5Low72.1Confident91 Ų9185 Ų8594%0.93850%0.495SS*.  trans-70.243.1170.300000113.2S160G158-S160 PolarHBondContact O-N 3.25Å
159L54.5Low72.2Confident124 Ų12483.3 Ų83.365%0.64948%0.483SS*.  trans-82.5115.9-176.1-86.9169.9000111.3V157 E161V157-L159 HydrophobicContact CB-CB 4.38Å; V157-L159 HydrophobicContact CB-CD1 3.96Å; V157-L159 HydrophobicContact CB-CG 4.08Å; V157-L159 HydrophobicContact CG1-CB 4.19Å; V157-L159 HydrophobicContact CG1-CD1 3.49Å; V157-L159 VanDerWaalsContact CG1-CD1 3.49Å; V157-L159 HydrophobicContact CG1-CG 3.42Å; V157-L159 VanDerWaalsContact CG1-CG 3.42Å; V157-L159 HydrophobicContact CG2-CD1 4.49Å; V157-L159 PolarHBondContact O-N 3.06Å; L159-E161 PolarHBondContact O-N 3.04Å
160S55.1Low72.5Confident86 Ų8684.1 Ų84.160%0.60150%0.496SS*.  trans18.196161.3-167.80000115.8G158 G162G158-S160 PolarHBondContact O-N 3.25Å; S160-G162 PolarHBondContact O-N 3.16Å
161E65Low73Confident152 Ų15284.9 Ų84.971%0.7150%0.502SS*.THydrogen-bonded Turntrans-58.5-11.5-170-130.9-172.6148.600116.5L159 K165L159-E161 PolarHBondContact O-N 3.04Å; E161-K165 WeakPolarHBondContact O-CD 3.45Å; E161-K165 WeakPolarHBondContact O-CE 3.46Å; E161-K165 PolarHBondContact O-NZ 2.75Å; E161-K165 IonicContact OE1-NZ 2.69Å
162G66.5Low73.4Confident42 Ų4283.3 Ų83.343%0.43349%0.486SS..THydrogen-bonded Turntrans-99.9-51.5-174.100000114.3S160 Y166S160-G162 PolarHBondContact O-N 3.16Å; G162-Y166 VanDerWaalsContact O-CD2 3.3Å; G162-Y166 WeakPolarHBondContact O-CD2 3.44Å; G162-Y166 WeakPolarHBondContact O-CE2 3.31Å
163M65.1Low74Confident156 Ų15682 Ų8277%0.76848%0.483SS*.THydrogen-bonded Turntrans-88.5-33.2-170.2-69.8-93.1-79.800112.6K165 Y166 G167M163-K165 VanDerWaalsContact C-N 3.26Å; M163-K165 PolarHBondContact O-N 3.28Å; M163-Y166 PolarHBondContact O-N 2.69Å; M163-G167 PolarHBondContact O-N 3.49Å
164A73.4Confident74.9Confident29 Ų2982.8 Ų82.824%0.2449%0.489CS..Hα-helixtrans-63.7-32.4-179.400000112.3Y166 G167 F168A164-Y166 VanDerWaalsContact C-N 3.31Å; A164-Y166 PolarHBondContact O-N 2.89Å; A164-G167 PolarHBondContact O-N 2.94Å; A164-G167 VanDerWaalsContact O-N 3.13Å; A164-F168 HydrophobicContact CB-CD2 4.49Å; A164-F168 HydrophobicContact CB-CE2 4.21Å; A164-F168 WeakPolarHBondContact O-CD2 3.36Å; A164-F168 PolarHBondContact O-N 3.23Å
165K74.4Confident75.9Confident65 Ų6583.7 Ų83.728%0.28349%0.486SS..Hα-helixtrans-56.3-43.8177-74.1175.6-177.9152.90112.2W146 F150 E161 M163 L169W146-K165 PolarHBondContact NE1-O 3.12Å; F150-K165 HydrophobicContact CD2-CG 3.88Å; F150-K165 HydrophobicContact CE2-CD 4.12Å; F150-K165 HydrophobicContact CE2-CG 3.32Å; F150-K165 HydrophobicContact CZ-CD 4.17Å; F150-K165 HydrophobicContact CZ-CG 3.87Å; E161-K165 WeakPolarHBondContact O-CD 3.45Å; E161-K165 WeakPolarHBondContact O-CE 3.46Å; E161-K165 PolarHBondContact O-NZ 2.75Å; E161-K165 IonicContact OE1-NZ 2.69Å; M163-K165 VanDerWaalsContact C-N 3.26Å; M163-K165 PolarHBondContact O-N 3.28Å; K165-L169 PolarHBondContact O-N 3.19Å; K165-L169 VanDerWaalsContact O-N 3.16Å
166Y82.6Confident77Confident172 Ų17280.2 Ų80.268%0.67547%0.465SS*.Hα-helixtrans-74.6-33178.1-61-70.1000112.2G162 M163 A164 L169 A170G162-Y166 VanDerWaalsContact O-CD2 3.3Å; G162-Y166 WeakPolarHBondContact O-CD2 3.44Å; G162-Y166 WeakPolarHBondContact O-CE2 3.31Å; M163-Y166 PolarHBondContact O-N 2.69Å; A164-Y166 VanDerWaalsContact C-N 3.31Å; A164-Y166 PolarHBondContact O-N 2.89Å; Y166-L169 PolarHBondContact O-N 2.87Å; Y166-A170 WeakPolarHBondContact O-CB 3.36Å; Y166-A170 PolarHBondContact O-N 2.62Å
167G85Confident78.4Confident42 Ų4274.8 Ų74.843%0.43345%0.45SS..Hα-helixtrans-62-46.5173.300000112.8M163 A164 A170 L171M163-G167 PolarHBondContact O-N 3.49Å; A164-G167 PolarHBondContact O-N 2.94Å; A164-G167 VanDerWaalsContact O-N 3.13Å; G167-A170 WeakPolarHBondContact O-CB 3.46Å; G167-A170 PolarHBondContact O-N 3.27Å; G167-L171 PolarHBondContact O-N 3.05Å
168F83Confident80.1Confident56 Ų5677.7 Ų77.725%0.24646%0.457CS..Hα-helixtrans-66.1-37.1175.5-71.3-62.5000112.7M149 F150 A153 A164 L171 A172M149-F168 HydrophobicContact CB-CD1 4.2Å; M149-F168 HydrophobicContact CE-CD1 3.76Å; M149-F168 HydrophobicContact CE-CE1 4.44Å; F150-F168 HydrophobicContact CD2-CD2 4.38Å; A153-F168 HydrophobicContact CB-CD2 4.4Å; A153-F168 HydrophobicContact CB-CE1 4.09Å; A153-F168 HydrophobicContact CB-CE2 3.51Å; A153-F168 HydrophobicContact CB-CZ 3.32Å; A164-F168 HydrophobicContact CB-CD2 4.49Å; A164-F168 HydrophobicContact CB-CE2 4.21Å; A164-F168 WeakPolarHBondContact O-CD2 3.36Å; A164-F168 PolarHBondContact O-N 3.23Å; F168-L171 PolarHBondContact O-N 2.84Å; F168-A172 WeakPolarHBondContact O-CB 3.36Å; F168-A172 PolarHBondContact O-N 2.89Å
169L87.3Confident81.6Confident53 Ų5375.9 Ų75.928%0.27743%0.433SS..Hα-helixtrans-62.1-45.9172.8-177.866.9000110.8W146 K165 Y166 L171 A172 T173W146-L169 HydrophobicContact CB-CD1 4.18Å; W146-L169 HydrophobicContact CD2-CB 4.42Å; W146-L169 HydrophobicContact CD2-CD1 3.81Å; W146-L169 HydrophobicContact CE3-CD1 3.88Å; W146-L169 HydrophobicContact CG-CB 4.33Å; W146-L169 HydrophobicContact CG-CD1 3.95Å; K165-L169 PolarHBondContact O-N 3.19Å; K165-L169 VanDerWaalsContact O-N 3.16Å; Y166-L169 PolarHBondContact O-N 2.87Å; L169-L171 VanDerWaalsContact C-N 3.33Å; L169-L171 PolarHBondContact O-N 2.82Å; L169-A172 PolarHBondContact O-N 2.9Å; L169-T173 VanDerWaalsContact O-CG2 3.31Å; L169-T173 WeakPolarHBondContact O-CG2 3.46Å; L169-T173 PolarHBondContact O-N 2.74Å; L169-T173 PolarHBondContact O-OG1 3.44Å
170A89.6Confident83.3Confident56 Ų5671.9 Ų71.946%0.46342%0.422SS..Hα-helixtrans-58.6-44.2176.100000111.4Y166 G167 T173 A174Y166-A170 WeakPolarHBondContact O-CB 3.36Å; Y166-A170 PolarHBondContact O-N 2.62Å; G167-A170 WeakPolarHBondContact O-CB 3.46Å; G167-A170 PolarHBondContact O-N 3.27Å; A170-T173 WeakPolarHBondContact CA-OG1 3.39Å; A170-T173 PolarHBondContact O-N 2.84Å; A170-T173 PolarHBondContact O-OG1 2.84Å; A170-A174 WeakPolarHBondContact O-CB 3.19Å; A170-A174 PolarHBondContact O-N 3.33Å
171L89.3Confident85Confident81 Ų8173 Ų7342%0.42442%0.419SS..Hα-helixtrans-62-47.5175.7-161.2170.8000111.4M149 G167 F168 L169 T173 A174 M175M149-L171 HydrophobicContact CE-CB 4.1Å; M149-L171 HydrophobicContact CE-CD1 3.59Å; M149-L171 HydrophobicContact CE-CD2 3.61Å; M149-L171 HydrophobicContact CE-CG 3.95Å; M149-L171 HydrophobicContact SD-CD2 4.24Å; G167-L171 PolarHBondContact O-N 3.05Å; F168-L171 PolarHBondContact O-N 2.84Å; L169-L171 VanDerWaalsContact C-N 3.33Å; L169-L171 PolarHBondContact O-N 2.82Å; L171-T173 VanDerWaalsContact C-N 3.35Å; L171-T173 PolarHBondContact O-N 2.86Å; L171-A174 WeakPolarHBondContact O-CB 3.4Å; L171-A174 PolarHBondContact O-N 3.41Å; L171-A174 VanDerWaalsContact O-N 3.15Å; L171-M175 HydrophobicContact CD2-CG 3.66Å; L171-M175 HydrophobicContact CD2-SD 3.38Å; L171-M175 WeakPolarHBondContact CD2-SD 3.43Å; L171-M175 PolarHBondContact O-N 2.92Å
172A89.9Confident86.2Confident0 Ų072.1 Ų72.10%041%0.41CS..Hα-helixtrans-59.2-44.9176.900000111.7L145 W146 M149 F168 L169 A174 M175 V176L145-A172 HydrophobicContact CB-CB 4.11Å; W146-A172 HydrophobicContact CB-CB 4.22Å; M149-A172 HydrophobicContact SD-CB 4.36Å; F168-A172 WeakPolarHBondContact O-CB 3.36Å; F168-A172 PolarHBondContact O-N 2.89Å; L169-A172 PolarHBondContact O-N 2.9Å; A172-A174 VanDerWaalsContact C-N 3.34Å; A172-A174 PolarHBondContact O-N 3.23Å; A172-M175 PolarHBondContact O-N 2.84Å; A172-V176 WeakPolarHBondContact O-CG2 3.33Å; A172-V176 PolarHBondContact O-N 3.34Å
173T92.9Very high87.1Confident70 Ų7073.3 Ų73.343%0.42941%0.409SS..Hα-helixtrans-62-41175.461.40000111.8C142 L169 A170 L171 V176 A177C142-T173 WeakPolarHBondContact SG-CG2 3.4Å; L169-T173 VanDerWaalsContact O-CG2 3.31Å; L169-T173 WeakPolarHBondContact O-CG2 3.46Å; L169-T173 PolarHBondContact O-N 2.74Å; L169-T173 PolarHBondContact O-OG1 3.44Å; A170-T173 WeakPolarHBondContact CA-OG1 3.39Å; A170-T173 PolarHBondContact O-N 2.84Å; A170-T173 PolarHBondContact O-OG1 2.84Å; L171-T173 VanDerWaalsContact C-N 3.35Å; L171-T173 PolarHBondContact O-N 2.86Å; T173-V176 PolarHBondContact O-N 3.44Å; T173-A177 VanDerWaalsContact O-CB 3.28Å; T173-A177 WeakPolarHBondContact O-CB 3.42Å; T173-A177 PolarHBondContact O-N 3.34Å
174A93.6Very high88Confident40 Ų4074.4 Ų74.433%0.33140%0.404SS..Hα-helixtrans-64.1-45.7177.200000111.3A170 L171 A172 V176 A177 F178A170-A174 WeakPolarHBondContact O-CB 3.19Å; A170-A174 PolarHBondContact O-N 3.33Å; L171-A174 WeakPolarHBondContact O-CB 3.4Å; L171-A174 PolarHBondContact O-N 3.41Å; L171-A174 VanDerWaalsContact O-N 3.15Å; A172-A174 VanDerWaalsContact C-N 3.34Å; A172-A174 PolarHBondContact O-N 3.23Å; A174-V176 PolarHBondContact O-N 2.95Å; A174-A177 PolarHBondContact O-N 3.5Å; A174-F178 HydrophobicContact CB-CD2 4.44Å; A174-F178 WeakPolarHBondContact O-CB 3.25Å; A174-F178 WeakPolarHBondContact O-CD2 3.37Å; A174-F178 PolarHBondContact O-N 3.04Å
175M93Very high88.5Confident96 Ų9676.7 Ų76.747%0.47342%0.419SS..Hα-helixtrans-59.7-46.1176.6-76.5179.778.300112.1L171 A172 A177 F178 A179L171-M175 HydrophobicContact CD2-CG 3.66Å; L171-M175 HydrophobicContact CD2-SD 3.38Å; L171-M175 WeakPolarHBondContact CD2-SD 3.43Å; L171-M175 PolarHBondContact O-N 2.92Å; A172-M175 PolarHBondContact O-N 2.84Å; M175-A177 VanDerWaalsContact C-N 3.34Å; M175-F178 PolarHBondContact O-N 3.17Å; M175-A179 VanDerWaalsContact O-CB 3.25Å; M175-A179 WeakPolarHBondContact O-CB 2.97Å; M175-A179 PolarHBondContact O-N 3.01Å
176V93.7Very high89Confident27 Ų2778.7 Ų78.716%0.16442%0.424CS..Hα-helixtrans-64.6-41.4177.9174.30000110.7A138 V141 C142 L145 A172 T173 A174 A179 G180A138-V176 HydrophobicContact CB-CG1 3.95Å; V141-V176 HydrophobicContact CG1-CG2 4.07Å; C142-V176 HydrophobicContact CB-CG2 4.18Å; L145-V176 HydrophobicContact CD1-CG2 3.74Å; A172-V176 WeakPolarHBondContact O-CG2 3.33Å; A172-V176 PolarHBondContact O-N 3.34Å; T173-V176 PolarHBondContact O-N 3.44Å; A174-V176 PolarHBondContact O-N 2.95Å; V176-A179 PolarHBondContact O-N 2.88Å; V176-G180 PolarHBondContact O-N 3.24Å
177A93.6Very high88.9Confident52 Ų5276 Ų7643%0.4342%0.416SS..Hα-helixtrans-62.5-47.4175.400000112T173 A174 M175 G180 M181T173-A177 VanDerWaalsContact O-CB 3.28Å; T173-A177 WeakPolarHBondContact O-CB 3.42Å; T173-A177 PolarHBondContact O-N 3.34Å; A174-A177 PolarHBondContact O-N 3.5Å; M175-A177 VanDerWaalsContact C-N 3.34Å; A177-G180 PolarHBondContact O-N 2.9Å; A177-M181 WeakPolarHBondContact O-CG 3.39Å; A177-M181 PolarHBondContact O-N 2.99Å
178F94.7Very high88.9Confident142 Ų14276.3 Ų76.362%0.62341%0.41SS*.Hα-helixtrans-61.7-44.4175.8-83.4-65.4000112.1A174 M175 G180 M181 Y182A174-F178 HydrophobicContact CB-CD2 4.44Å; A174-F178 WeakPolarHBondContact O-CB 3.25Å; A174-F178 WeakPolarHBondContact O-CD2 3.37Å; A174-F178 PolarHBondContact O-N 3.04Å; M175-F178 PolarHBondContact O-N 3.17Å; F178-G180 VanDerWaalsContact C-N 3.31Å; F178-G180 PolarHBondContact O-N 3.35Å; F178-M181 HydrophobicContact CD1-CE 3.71Å; F178-M181 HydrophobicContact CE1-CE 4.04Å; F178-M181 HydrophobicContact CG-CE 4.24Å; F178-M181 PolarHBondContact O-N 3.41Å; F178-Y182 VanDerWaalsContact O-CB 3.26Å; F178-Y182 WeakPolarHBondContact O-CB 3.27Å; F178-Y182 PolarHBondContact O-N 2.61Å
179A92.4Very high89.2Confident53 Ų5374.1 Ų74.144%0.43840%0.401SS..Hα-helixtrans-61.8-40.6175.700000111.5M175 V176 Y182 T183M175-A179 VanDerWaalsContact O-CB 3.25Å; M175-A179 WeakPolarHBondContact O-CB 2.97Å; M175-A179 PolarHBondContact O-N 3.01Å; V176-A179 PolarHBondContact O-N 2.88Å; A179-Y182 PolarHBondContact O-N 2.99Å; A179-T183 WeakPolarHBondContact O-CB 3.31Å; A179-T183 PolarHBondContact O-N 3.13Å; A179-T183 PolarHBondContact O-OG1 3.06Å
180G90Very high89.3Confident40 Ų4075.2 Ų75.241%0.41241%0.407SS..Hα-helixtrans-62-47.9174.100000112.5V176 A177 F178 T183 R184V176-G180 PolarHBondContact O-N 3.24Å; A177-G180 PolarHBondContact O-N 2.9Å; F178-G180 VanDerWaalsContact C-N 3.31Å; F178-G180 PolarHBondContact O-N 3.35Å; G180-T183 PolarHBondContact O-N 3.23Å; G180-R184 VanDerWaalsContact O-CB 3.26Å; G180-R184 WeakPolarHBondContact O-CB 3.3Å; G180-R184 PolarHBondContact O-N 2.9Å
181M89.9Confident89.5Confident110 Ų11073.5 Ų73.554%0.54239%0.391SS..Hα-helixtrans-63.4-42.2175.9-72.5-172.1-70.800112.4A177 F178 R184 S185A177-M181 WeakPolarHBondContact O-CG 3.39Å; A177-M181 PolarHBondContact O-N 2.99Å; F178-M181 HydrophobicContact CD1-CE 3.71Å; F178-M181 HydrophobicContact CE1-CE 4.04Å; F178-M181 HydrophobicContact CG-CE 4.24Å; F178-M181 PolarHBondContact O-N 3.41Å; M181-R184 PolarHBondContact O-N 3.5Å; M181-S185 VanDerWaalsContact O-CB 3.31Å; M181-S185 WeakPolarHBondContact O-CB 3.46Å; M181-S185 PolarHBondContact O-N 2.85Å
182Y89.5Confident89.7Confident132 Ų13273.5 Ų73.552%0.51839%0.391SS..Hα-helixtrans-63.2-47.2177.2-179.2-97.2000111.8F178 A179 S185 R186F178-Y182 VanDerWaalsContact O-CB 3.26Å; F178-Y182 WeakPolarHBondContact O-CB 3.27Å; F178-Y182 PolarHBondContact O-N 2.61Å; A179-Y182 PolarHBondContact O-N 2.99Å; Y182-S185 PolarHBondContact O-N 3.41Å; Y182-R186 HydrophobicContact CD1-CG 4.45Å; Y182-R186 HydrophobicContact CE1-CG 4.25Å; Y182-R186 VanDerWaalsContact CZ-CZ 3.45Å; Y182-R186 WeakPolarHBondContact O-CG 3.3Å; Y182-R186 PolarHBondContact O-N 3.19Å; Y182-R186 PolarHBondContact OH-NH1 3.27Å; Y182-R186 PolarHBondContact OH-NH2 3.22Å
183T86Confident89.8Confident68 Ų6878.8 Ų78.842%0.41741%0.414SS..Hα-helixtrans-59.8-49.9175.3-62.90000110A179 G180 S185 R186 F187A179-T183 WeakPolarHBondContact O-CB 3.31Å; A179-T183 PolarHBondContact O-N 3.13Å; A179-T183 PolarHBondContact O-OG1 3.06Å; G180-T183 PolarHBondContact O-N 3.23Å; T183-S185 PolarHBondContact O-N 2.86Å; T183-R186 PolarHBondContact O-N 2.62Å; T183-F187 HydrophobicContact CG2-CD2 3.6Å; T183-F187 HydrophobicContact CG2-CE2 3.72Å; T183-F187 WeakPolarHBondContact O-CD2 3.37Å; T183-F187 PolarHBondContact O-N 2.9Å
184R85.1Confident89.9Confident179 Ų17975.5 Ų75.568%0.67539%0.394SS*.Hα-helixtrans-54.3-52.9175.2-176.8177174.4161.8-2.1110.5G180 M181 R186 F187 T188G180-R184 VanDerWaalsContact O-CB 3.26Å; G180-R184 WeakPolarHBondContact O-CB 3.3Å; G180-R184 PolarHBondContact O-N 2.9Å; M181-R184 PolarHBondContact O-N 3.5Å; R184-R186 VanDerWaalsContact C-N 3.28Å; R184-R186 PolarHBondContact O-N 3.25Å; R184-F187 PolarHBondContact O-N 3.1Å; R184-F187 VanDerWaalsContact O-N 3.08Å; R184-T188 HydrophobicContact CG-CG2 3.58Å; R184-T188 WeakPolarHBondContact O-CB 3.16Å; R184-T188 VanDerWaalsContact O-CG2 3.3Å; R184-T188 WeakPolarHBondContact O-CG2 3.38Å; R184-T188 PolarHBondContact O-N 2.69Å; R184-T188 PolarHBondContact O-OG1 2.85Å
185S83.4Confident90Very high77 Ų7774.8 Ų74.854%0.53838%0.383SS..Hα-helixtrans-56.7-38.4179.3179.80000113.3M181 Y182 T183 K266M181-S185 VanDerWaalsContact O-CB 3.31Å; M181-S185 WeakPolarHBondContact O-CB 3.46Å; M181-S185 PolarHBondContact O-N 2.85Å; Y182-S185 PolarHBondContact O-N 3.41Å; T183-S185 PolarHBondContact O-N 2.86Å; S185-K266 PolarHBondContact O-NZ 2.74Å
186R83.9Confident90Very high106 Ų10678.9 Ų78.940%0.439%0.393SS..Hα-helixtrans-71.5-32.6177.3-76-78174.378.6-2.6113.3Y182 T183 R184 K266Y182-R186 HydrophobicContact CD1-CG 4.45Å; Y182-R186 HydrophobicContact CE1-CG 4.25Å; Y182-R186 VanDerWaalsContact CZ-CZ 3.45Å; Y182-R186 WeakPolarHBondContact O-CG 3.3Å; Y182-R186 PolarHBondContact O-N 3.19Å; Y182-R186 PolarHBondContact OH-NH1 3.27Å; Y182-R186 PolarHBondContact OH-NH2 3.22Å; T183-R186 PolarHBondContact O-N 2.62Å; R184-R186 VanDerWaalsContact C-N 3.28Å; R184-R186 PolarHBondContact O-N 3.25Å; R186-K266 WeakPolarHBondContact O-CE 3.15Å
187F81.1Confident90.1Very high115 Ų11580.1 Ų80.150%0.50440%0.399SS..Hα-helixtrans-101.1-19.2-175.7-68-66000114.7T183 R184 K243T183-F187 HydrophobicContact CG2-CD2 3.6Å; T183-F187 HydrophobicContact CG2-CE2 3.72Å; T183-F187 WeakPolarHBondContact O-CD2 3.37Å; T183-F187 PolarHBondContact O-N 2.9Å; R184-F187 PolarHBondContact O-N 3.1Å; R184-F187 VanDerWaalsContact O-N 3.08Å; F187-K243 WeakPolarHBondContact O-CD 3.25Å
188T84.7Confident90.2Very high49 Ų4977.7 Ų77.730%0.30138%0.378SS..PPolyproline II helixtrans-84.3135.6176.755.90000111.3R184 K266R184-T188 HydrophobicContact CG-CG2 3.58Å; R184-T188 WeakPolarHBondContact O-CB 3.16Å; R184-T188 VanDerWaalsContact O-CG2 3.3Å; R184-T188 WeakPolarHBondContact O-CG2 3.38Å; R184-T188 PolarHBondContact O-N 2.69Å; R184-T188 PolarHBondContact O-OG1 2.85Å; T188-K266 WeakPolarHBondContact O-CD 3.38Å; T188-K266 PolarHBondContact O-NZ 2.8Å
189I89.1Confident90.2Very high11 Ų1172 Ų726%0.05635%0.354CS..PPolyproline II helixtrans-93.7131.5172-56.1-173.4000107.1V194 M226 K243 C245 K266 Y271I189-V194 HydrophobicContact CG2-CG2 3.83Å; I189-M226 HydrophobicContact CB-CE 4.29Å; I189-K243 HydrophobicContact CD1-CB 3.71Å; I189-K243 WeakPolarHBondContact CD1-O 3.25Å; I189-K243 HydrophobicContact CG1-CB 4.02Å; I189-C245 HydrophobicContact CB-CB 4.44Å; I189-C245 HydrophobicContact CD1-CB 4.07Å; I189-C245 HydrophobicContact CG2-CB 3.7Å; I189-K266 HydrophobicContact CD1-CB 3.81Å; I189-K266 HydrophobicContact CG1-CB 3.65Å; I189-K266 HydrophobicContact CG1-CD 4.04Å; I189-Y271 HydrophobicContact CB-CE1 4.43Å; I189-Y271 HydrophobicContact CG2-CD1 4.34Å; I189-Y271 HydrophobicContact CG2-CE1 3.71Å
190N90.7Very high90.3Very high76 Ų7673.9 Ų73.941%0.40636%0.36SS..PPolyproline II helixtrans-98.5117.4169.2-178-27.4000108.2D192 K193 V194 Y271N190-D192 VanDerWaalsContact C-N 3.32Å; N190-D192 PolarHBondContact O-N 2.86Å; N190-D192 WeakPolarHBondContact OD1-CB 3.37Å; N190-D192 PolarHBondContact OD1-N 2.85Å; N190-K193 HydrophobicContact CB-CB 4.17Å; N190-K193 PolarHBondContact O-N 2.84Å; N190-V194 PolarHBondContact O-N 2.88Å; N190-Y271 PolarHBondContact N-OH 2.86Å
191P92.4Very high90.6Very high19 Ų1976 Ų7612%0.12336%0.358CS..Hα-helixtrans-63.3-33.9-17926.7-34000112.7K193 V194 Y195 Y224P191-K193 VanDerWaalsContact C-N 3.3Å; P191-K193 PolarHBondContact O-N 2.79Å; P191-V194 CarbonylContact O-C 3.53Å; P191-V194 WeakPolarHBondContact O-CA 3.37Å; P191-V194 WeakPolarHBondContact O-CB 3.49Å; P191-V194 PolarHBondContact O-N 3.07Å; P191-V194 VanDerWaalsContact O-N 3.07Å; P191-Y195 PolarHBondContact O-N 3.3Å; P191-Y224 HydrophobicContact CB-CD1 3.96Å; P191-Y224 HydrophobicContact CB-CD2 4.24Å; P191-Y224 HydrophobicContact CB-CE1 4.4Å; P191-Y224 HydrophobicContact CB-CG 3.88Å; P191-Y224 HydrophobicContact CG-CD1 4.04Å; P191-Y224 HydrophobicContact CG-CD2 4.23Å; P191-Y224 HydrophobicContact CG-CE1 3.97Å; P191-Y224 HydrophobicContact CG-CE2 4.16Å; P191-Y224 HydrophobicContact CG-CG 4.18Å
192D93.4Very high90.8Very high81 Ų8170.8 Ų70.843%0.43333%0.332SS..Hα-helixtrans-65.4-36.6177.8-58.5-40.3000111.8N190 V194 Y195 R196N190-D192 VanDerWaalsContact C-N 3.32Å; N190-D192 PolarHBondContact O-N 2.86Å; N190-D192 WeakPolarHBondContact OD1-CB 3.37Å; N190-D192 PolarHBondContact OD1-N 2.85Å; D192-V194 VanDerWaalsContact C-N 3.33Å; D192-Y195 PolarHBondContact O-N 3.3Å; D192-R196 WeakPolarHBondContact O-CG 3.06Å; D192-R196 PolarHBondContact O-N 3.21Å
193K93Very high91Very high112 Ų11267.4 Ų67.449%0.48732%0.323SS..Hα-helixtrans-67.3-38.1174-175.2160.7-179.7170.40111N190 P191 I197 Y271N190-K193 HydrophobicContact CB-CB 4.17Å; N190-K193 PolarHBondContact O-N 2.84Å; P191-K193 VanDerWaalsContact C-N 3.3Å; P191-K193 PolarHBondContact O-N 2.79Å; K193-I197 HydrophobicContact CG-CD1 4.01Å; K193-I197 WeakPolarHBondContact O-CD1 3.13Å; K193-I197 WeakPolarHBondContact O-CG1 3.32Å; K193-I197 PolarHBondContact O-N 3.43Å; K193-I197 VanDerWaalsContact O-N 3.12Å; K193-Y271 HydrophobicContact CD-CE2 3.6Å; K193-Y271 HydrophobicContact CG-CE2 3.97Å
194V94.1Very high91.3Very high1 Ų169.4 Ų69.41%0.00634%0.335CS..Hα-helixtrans-63.2-46.6174.4171.10000110.5I189 N190 P191 D192 R196 I197 A198 L247 V262 V264 Y271I189-V194 HydrophobicContact CG2-CG2 3.83Å; N190-V194 PolarHBondContact O-N 2.88Å; P191-V194 CarbonylContact O-C 3.53Å; P191-V194 WeakPolarHBondContact O-CA 3.37Å; P191-V194 WeakPolarHBondContact O-CB 3.49Å; P191-V194 PolarHBondContact O-N 3.07Å; P191-V194 VanDerWaalsContact O-N 3.07Å; D192-V194 VanDerWaalsContact C-N 3.33Å; V194-R196 PolarHBondContact O-N 2.85Å; V194-I197 PolarHBondContact O-N 3.4Å; V194-A198 WeakPolarHBondContact O-CB 3.49Å; V194-A198 PolarHBondContact O-N 3.25Å; V194-L247 HydrophobicContact CG1-CD2 4Å; V194-V262 HydrophobicContact CG1-CG1 4.13Å; V194-V264 HydrophobicContact CB-CG2 4.44Å; V194-V264 HydrophobicContact CG1-CB 4.21Å; V194-V264 HydrophobicContact CG1-CG2 3.43Å; V194-V264 VanDerWaalsContact CG1-CG2 3.43Å; V194-V264 HydrophobicContact CG2-CB 4.19Å; V194-V264 HydrophobicContact CG2-CG1 4.24Å; V194-V264 HydrophobicContact CG2-CG2 4.2Å; V194-Y271 HydrophobicContact CG2-CD1 3.86Å; V194-Y271 HydrophobicContact CG2-CE1 3.91Å
195Y95.4Very high91.7Very high25 Ų2562.1 Ų62.110%0.09831%0.312CS..Hα-helixtrans-55.8-50.4175.7171.6-102.7000111.8P191 D192 I197 A198 M199 G218 R222 F249P191-Y195 PolarHBondContact O-N 3.3Å; D192-Y195 PolarHBondContact O-N 3.3Å; Y195-I197 PolarHBondContact O-N 3.31Å; Y195-A198 WeakPolarHBondContact O-CB 3.43Å; Y195-A198 PolarHBondContact O-N 3.14Å; Y195-A198 VanDerWaalsContact O-N 3.16Å; Y195-M199 WeakPolarHBondContact O-CB 3.24Å; Y195-M199 PolarHBondContact O-N 3.08Å; Y195-G218 WeakPolarHBondContact OH-CA 3.45Å; Y195-R222 VanDerWaalsContact CZ-CZ 3.42Å; Y195-R222 PolarHBondContact OH-NH2 3.25Å; Y195-F249 AromaticContact CD2-CD1 3.94Å; Y195-F249 HydrophobicContact CD2-CD1 3.94Å; Y195-F249 HydrophobicContact CD2-CD2 4.03Å; Y195-F249 AromaticContact CD2-CE1 3.9Å; Y195-F249 HydrophobicContact CD2-CE1 3.9Å; Y195-F249 AromaticContact CD2-CE2 3.99Å; Y195-F249 HydrophobicContact CD2-CE2 3.99Å; Y195-F249 AromaticContact CD2-CG 3.99Å; Y195-F249 HydrophobicContact CD2-CG 3.99Å; Y195-F249 AromaticContact CD2-CZ 3.91Å; Y195-F249 HydrophobicContact CD2-CZ 3.91Å; Y195-F249 HydrophobicContact CE2-CD1 4.36Å; Y195-F249 AromaticContact CE2-CD2 3.62Å; Y195-F249 HydrophobicContact CE2-CD2 3.62Å; Y195-F249 HydrophobicContact CE2-CE1 4.4Å; Y195-F249 AromaticContact CE2-CE2 3.66Å; Y195-F249 HydrophobicContact CE2-CE2 3.66Å; Y195-F249 AromaticContact CE2-CG 3.97Å; Y195-F249 HydrophobicContact CE2-CG 3.97Å; Y195-F249 HydrophobicContact CE2-CZ 4.06Å
196R94.8Very high92.2Very high181 Ų18161.1 Ų61.168%0.68331%0.308SS*.Hα-helixtrans-58.6-46.4178.3-71.8179.4-168.6-1773.2112.2D192 V194 A198 M199 T200D192-R196 WeakPolarHBondContact O-CG 3.06Å; D192-R196 PolarHBondContact O-N 3.21Å; V194-R196 PolarHBondContact O-N 2.85Å; R196-A198 VanDerWaalsContact C-N 3.32Å; R196-A198 PolarHBondContact O-N 3.14Å; R196-M199 PolarHBondContact O-N 2.82Å; R196-T200 PolarHBondContact O-N 3.35Å; R196-T200 PolarHBondContact O-OG1 2.93Å
197I95.1Very high92.5Very high54 Ų5458.6 Ų58.628%0.27731%0.31SS..Hα-helixtrans-64-40.1178.6-60.8163.7000110.4K193 V194 Y195 K201 Y271 M273K193-I197 HydrophobicContact CG-CD1 4.01Å; K193-I197 WeakPolarHBondContact O-CD1 3.13Å; K193-I197 WeakPolarHBondContact O-CG1 3.32Å; K193-I197 PolarHBondContact O-N 3.43Å; K193-I197 VanDerWaalsContact O-N 3.12Å; V194-I197 PolarHBondContact O-N 3.4Å; Y195-I197 PolarHBondContact O-N 3.31Å; I197-K201 PolarHBondContact O-N 3.31Å; I197-K201 VanDerWaalsContact O-N 3.12Å; I197-Y271 HydrophobicContact CD1-CD2 4.04Å; I197-Y271 HydrophobicContact CD1-CG 4.3Å; I197-M273 HydrophobicContact CB-CE 3.8Å; I197-M273 HydrophobicContact CG2-CE 3.39Å; I197-M273 HydrophobicContact CG2-SD 4.22Å
198A95.7Very high93.1Very high0 Ų053.1 Ų53.10%029%0.286CS..Hα-helixtrans-62.9-48.1176.600000110.7V194 Y195 R196 T200 K201 L202 F249 V262 M273 L276V194-A198 WeakPolarHBondContact O-CB 3.49Å; V194-A198 PolarHBondContact O-N 3.25Å; Y195-A198 WeakPolarHBondContact O-CB 3.43Å; Y195-A198 PolarHBondContact O-N 3.14Å; Y195-A198 VanDerWaalsContact O-N 3.16Å; R196-A198 VanDerWaalsContact C-N 3.32Å; R196-A198 PolarHBondContact O-N 3.14Å; A198-T200 VanDerWaalsContact C-N 3.33Å; A198-T200 PolarHBondContact O-N 2.86Å; A198-K201 PolarHBondContact O-N 3.12Å; A198-K201 VanDerWaalsContact O-N 3.07Å; A198-L202 VanDerWaalsContact O-CG 3.26Å; A198-L202 WeakPolarHBondContact O-CG 3.34Å; A198-L202 PolarHBondContact O-N 3.47Å; A198-F249 HydrophobicContact CB-CE1 4.32Å; A198-F249 HydrophobicContact CB-CZ 4.15Å; A198-V262 HydrophobicContact CB-CG2 4.12Å; A198-M273 HydrophobicContact CB-CE 4.08Å; A198-L276 HydrophobicContact CB-CD1 4.23Å
199M94.8Very high93.5Very high23 Ų2352.8 Ų52.811%0.11328%0.282CS..Hα-helixtrans-61.8-38.7179.5-160.365.1-174.300112.7Y195 R196 L202 N203 L216 G218 F249 I251Y195-M199 WeakPolarHBondContact O-CB 3.24Å; Y195-M199 PolarHBondContact O-N 3.08Å; R196-M199 PolarHBondContact O-N 2.82Å; M199-L202 PolarHBondContact O-N 2.81Å; M199-L202 HydrophobicContact SD-CD1 4.47Å; M199-N203 WeakPolarHBondContact O-CB 3.37Å; M199-N203 PolarHBondContact O-N 2.72Å; M199-N203 PolarHBondContact O-ND2 2.81Å; M199-L216 HydrophobicContact CE-CB 3.88Å; M199-L216 WeakPolarHBondContact CE-O 3.3Å; M199-G218 VanDerWaalsContact CE-N 3.3Å; M199-F249 HydrophobicContact SD-CE2 4.45Å; M199-I251 HydrophobicContact CE-CD1 3.81Å; M199-I251 HydrophobicContact CE-CG1 4.17Å; M199-I251 HydrophobicContact SD-CD1 3.81Å
200T95Very high93.6Very high92 Ų9259.2 Ų59.256%0.56431%0.312SS*.Hα-helixtrans-61.4-45172.8-57.50000111.2R196 A198 T204R196-T200 PolarHBondContact O-N 3.35Å; R196-T200 PolarHBondContact O-OG1 2.93Å; A198-T200 VanDerWaalsContact C-N 3.33Å; A198-T200 PolarHBondContact O-N 2.86Å; T200-T204 WeakPolarHBondContact O-CB 3.46Å; T200-T204 PolarHBondContact O-N 3.21Å; T200-T204 VanDerWaalsContact O-N 3.16Å; T200-T204 PolarHBondContact O-OG1 3.16Å
201K94.8Very high93.6Very high85 Ų8557.2 Ų57.237%0.3730%0.302SS..Hα-helixtrans-65.9-40.4178.4-74.2-168178.7-173.70112.9I197 A198 T204 S205 M273 L276 L292I197-K201 PolarHBondContact O-N 3.31Å; I197-K201 VanDerWaalsContact O-N 3.12Å; A198-K201 PolarHBondContact O-N 3.12Å; A198-K201 VanDerWaalsContact O-N 3.07Å; K201-T204 PolarHBondContact O-N 3.07Å; K201-S205 PolarHBondContact O-N 2.84Å; K201-M273 HydrophobicContact CD-CE 4.44Å; K201-M273 HydrophobicContact CD-SD 3.57Å; K201-M273 VanDerWaalsContact CD-SD 3.57Å; K201-M273 VanDerWaalsContact CE-SD 3.53Å; K201-M273 PolarHBondContact NZ-SD 2.78Å; K201-L276 HydrophobicContact CB-CD2 3.87Å; K201-L276 HydrophobicContact CD-CD2 4.1Å; K201-L292 HydrophobicContact CB-CD2 4.49Å
202L94.6Very high93.6Very high0 Ų056.3 Ų56.30%030%0.297CS..Hα-helixtrans-63.2-47.2177.8-66.5169.1000111A198 M199 T204 S205 I208 L216 F249 I251 V260 L276 V278 L292A198-L202 VanDerWaalsContact O-CG 3.26Å; A198-L202 WeakPolarHBondContact O-CG 3.34Å; A198-L202 PolarHBondContact O-N 3.47Å; M199-L202 PolarHBondContact O-N 2.81Å; M199-L202 HydrophobicContact SD-CD1 4.47Å; L202-T204 PolarHBondContact O-N 3.22Å; L202-S205 PolarHBondContact O-N 3.19Å; L202-I208 HydrophobicContact CD2-CD1 3.32Å; L202-L216 HydrophobicContact CB-CD1 3.99Å; L202-F249 HydrophobicContact CD1-CE2 4.23Å; L202-F249 HydrophobicContact CD1-CZ 4.02Å; L202-I251 HydrophobicContact CB-CD1 4.37Å; L202-I251 HydrophobicContact CD1-CD1 3.7Å; L202-V260 HydrophobicContact CD1-CG1 3.94Å; L202-V260 HydrophobicContact CD1-CG2 3.82Å; L202-L276 HydrophobicContact CD2-CD1 4.2Å; L202-L276 HydrophobicContact CD2-CD2 4.45Å; L202-L276 HydrophobicContact CD2-CG 4.38Å; L202-L276 HydrophobicContact CG-CD1 4.45Å; L202-V278 HydrophobicContact CD2-CG2 3.54Å; L202-L292 HydrophobicContact CD2-CD2 4.22Å
203N93.6Very high93.5Very high62 Ų6252.7 Ų52.733%0.33228%0.278SS..Hα-helixtrans-70.9-9.1177.5-82.2-55.2000114.6M199 L216M199-N203 WeakPolarHBondContact O-CB 3.37Å; M199-N203 PolarHBondContact O-N 2.72Å; M199-N203 PolarHBondContact O-ND2 2.81Å; N203-L216 VanDerWaalsContact OD1-CB 3.28Å; N203-L216 WeakPolarHBondContact OD1-CB 3.25Å; N203-L216 PolarHBondContact OD1-N 2.85Å
204T93.3Very high93.3Very high109 Ų10950.3 Ų50.367%0.66928%0.279SS*.Hα-helixtrans-99.5-14.1176.3-51.50000111.7T200 K201 L202T200-T204 WeakPolarHBondContact O-CB 3.46Å; T200-T204 PolarHBondContact O-N 3.21Å; T200-T204 VanDerWaalsContact O-N 3.16Å; T200-T204 PolarHBondContact O-OG1 3.16Å; K201-T204 PolarHBondContact O-N 3.07Å; L202-T204 PolarHBondContact O-N 3.22Å
205S93Very high93.2Very high26 Ų2655.1 Ų55.118%0.18231%0.31CS..  trans-91.8117.3-173.4-176.20000112.5K201 L202 A207 I208 L209 L292K201-S205 PolarHBondContact O-N 2.84Å; L202-S205 PolarHBondContact O-N 3.19Å; S205-A207 PolarHBondContact O-N 3.37Å; S205-I208 PolarHBondContact O-N 2.83Å; S205-L209 VanDerWaalsContact O-CG 3.29Å; S205-L209 WeakPolarHBondContact O-CG 3.18Å; S205-L209 PolarHBondContact O-N 2.95Å; S205-L209 VanDerWaalsContact O-N 3.14Å; S205-L292 WeakPolarHBondContact OG-CD1 3.46Å
206A93.1Very high93Very high57 Ų5754.3 Ų54.347%0.47131%0.308SS..Hα-helixtrans-55.9-46.4177.300000112.5I208 L209 E210A206-I208 PolarHBondContact O-N 3.47Å; A206-I208 VanDerWaalsContact O-N 3.14Å; A206-L209 PolarHBondContact O-N 2.82Å; A206-L209 VanDerWaalsContact O-N 3.08Å; A206-E210 WeakPolarHBondContact O-CB 3.13Å; A206-E210 VanDerWaalsContact O-CG 3.29Å; A206-E210 WeakPolarHBondContact O-CG 3.43Å; A206-E210 PolarHBondContact O-N 2.83Å
207A91.3Very high92.9Very high52 Ų5248.2 Ų48.243%0.4330%0.296SS..Hα-helixtrans-58.8-32.3-176.900000113.8S205 V211S205-A207 PolarHBondContact O-N 3.37Å; A207-V211 WeakPolarHBondContact O-CG2 3.41Å
208I92.3Very high92.7Very high0 Ų046.9 Ų46.90%030%0.295CS..Hα-helixtrans-81.9-42177-68.1179.6000110.6L202 S205 A206 E210 V211 M212 L216 V278 L292L202-I208 HydrophobicContact CD2-CD1 3.32Å; S205-I208 PolarHBondContact O-N 2.83Å; A206-I208 PolarHBondContact O-N 3.47Å; A206-I208 VanDerWaalsContact O-N 3.14Å; I208-E210 VanDerWaalsContact C-N 3.28Å; I208-E210 PolarHBondContact O-N 3.4Å; I208-V211 PolarHBondContact O-N 2.72Å; I208-M212 HydrophobicContact CG2-CE 3.19Å; I208-M212 HydrophobicContact CG2-CG 4.37Å; I208-M212 HydrophobicContact CG2-SD 4.42Å; I208-M212 WeakPolarHBondContact O-CB 3.29Å; I208-M212 PolarHBondContact O-N 2.98Å; I208-L216 HydrophobicContact CG2-CD1 3.73Å; I208-V278 HydrophobicContact CD1-CG2 3.73Å; I208-L292 HydrophobicContact CD1-CD1 3.27Å; I208-L292 HydrophobicContact CD1-CD2 3.61Å; I208-L292 HydrophobicContact CD1-CG 3.96Å; I208-L292 HydrophobicContact CG1-CD1 3.63Å
209L93.1Very high92.3Very high43 Ų4348.6 Ų48.623%0.22531%0.306CS..Hα-helixtrans-64.8-33.6179.5-66.4174.4000112.2S205 A206 V211 G213 A214 L216S205-L209 VanDerWaalsContact O-CG 3.29Å; S205-L209 WeakPolarHBondContact O-CG 3.18Å; S205-L209 PolarHBondContact O-N 2.95Å; S205-L209 VanDerWaalsContact O-N 3.14Å; A206-L209 PolarHBondContact O-N 2.82Å; A206-L209 VanDerWaalsContact O-N 3.08Å; L209-V211 VanDerWaalsContact C-N 3.34Å; L209-G213 WeakPolarHBondContact O-CA 3.21Å; L209-G213 PolarHBondContact O-N 2.81Å; L209-A214 HydrophobicContact CD2-CB 4.01Å; L209-L216 HydrophobicContact CD2-CD1 3.82Å; L209-L216 HydrophobicContact CD2-CD2 4.19Å; L209-L216 HydrophobicContact CD2-CG 3.64Å
210E91.8Very high91.9Very high146 Ų14654.3 Ų54.368%0.68234%0.337SS*.Hα-helixtrans-65.5-35.1175.4-76.7170.8-168.100112.6A206 I208A206-E210 WeakPolarHBondContact O-CB 3.13Å; A206-E210 VanDerWaalsContact O-CG 3.29Å; A206-E210 WeakPolarHBondContact O-CG 3.43Å; A206-E210 PolarHBondContact O-N 2.83Å; I208-E210 VanDerWaalsContact C-N 3.28Å; I208-E210 PolarHBondContact O-N 3.4Å
211V91.1Very high91.7Very high34 Ų3451.4 Ų51.421%0.20632%0.319CS..Hα-helixtrans-92.6-31.7-175.9-176.30000112.6A207 I208 L209 I280 L290A207-V211 WeakPolarHBondContact O-CG2 3.41Å; I208-V211 PolarHBondContact O-N 2.72Å; L209-V211 VanDerWaalsContact C-N 3.34Å; V211-I280 HydrophobicContact CB-CD1 4.12Å; V211-I280 HydrophobicContact CG1-CD1 3.49Å; V211-I280 VanDerWaalsContact CG1-CD1 3.49Å; V211-L290 HydrophobicContact CB-CD1 4.17Å; V211-L290 HydrophobicContact CG1-CD1 4.43Å; V211-L290 HydrophobicContact CG2-CD1 4.07Å
212M91.3Very high91.5Very high0 Ų051.3 Ų51.30%032%0.316CS..Hα-helixtrans-100.2-20.3-178.4-64.3-154.9-6200113.8I208 L216 I251 G253 S254 E255 R256 V278 I280I208-M212 HydrophobicContact CG2-CE 3.19Å; I208-M212 HydrophobicContact CG2-CG 4.37Å; I208-M212 HydrophobicContact CG2-SD 4.42Å; I208-M212 WeakPolarHBondContact O-CB 3.29Å; I208-M212 PolarHBondContact O-N 2.98Å; M212-L216 HydrophobicContact CB-CD2 3.77Å; M212-L216 HydrophobicContact CE-CD1 3.69Å; M212-L216 HydrophobicContact CE-CD2 3.46Å; M212-L216 VanDerWaalsContact CE-CD2 3.46Å; M212-L216 HydrophobicContact CE-CG 4.17Å; M212-I251 HydrophobicContact CE-CD1 4.11Å; M212-I251 HydrophobicContact CE-CG1 4.32Å; M212-I251 HydrophobicContact CE-CG2 3.66Å; M212-I251 HydrophobicContact SD-CG2 3.84Å; M212-G253 CarbonylContact O-C 3.58Å; M212-G253 VanDerWaalsContact O-CA 3.3Å; M212-G253 WeakPolarHBondContact O-CA 3.46Å; M212-S254 PolarHBondContact O-N 3.45Å; M212-E255 WeakPolarHBondContact O-CB 3.03Å; M212-E255 PolarHBondContact O-N 2.9Å; M212-R256 PolarHBondContact O-N 2.88Å; M212-V278 HydrophobicContact CE-CG1 4.18Å; M212-V278 HydrophobicContact SD-CG1 3.89Å; M212-I280 HydrophobicContact CG-CD1 3.64Å; M212-I280 HydrophobicContact CG-CG1 4.26Å; M212-I280 HydrophobicContact SD-CD1 4.22Å; M212-I280 HydrophobicContact SD-CG1 4.26Å
213G91.8Very high91.4Very high5 Ų552.3 Ų52.35%0.05233%0.325CS..  trans79.2139.3-17200000113L209 L216 G253 S254L209-G213 WeakPolarHBondContact O-CA 3.21Å; L209-G213 PolarHBondContact O-N 2.81Å; G213-L216 WeakPolarHBondContact O-CD2 3.38Å; G213-G253 WeakPolarHBondContact O-CA 3.48Å; G213-S254 WeakPolarHBondContact CA-OG 3.39Å; G213-S254 PolarHBondContact O-N 3.24Å
214A89.9Confident91.4Very high61 Ų6155.3 Ų55.350%0.50433%0.332SS..SBendtrans-83.8151.417400000111.3L209 S254L209-A214 HydrophobicContact CD2-CB 4.01Å; A214-S254 PolarHBondContact N-OG 2.8Å; A214-S254 WeakPolarHBondContact O-CB 3.37Å; A214-S254 PolarHBondContact O-OG 2.88Å
215P90.3Very high91.3Very high102 Ų10252.4 Ų52.466%0.66231%0.314SS*.SBendcis-80.4154.6-7.933.5-34.5000112.1
216L92.7Very high91.1Very high9 Ų955.4 Ų55.45%0.04733%0.327CS..PPolyproline II helixtrans-88127.8169.9-49.7176.1000109.9M199 L202 N203 I208 L209 M212 G213 I251M199-L216 HydrophobicContact CE-CB 3.88Å; M199-L216 WeakPolarHBondContact CE-O 3.3Å; L202-L216 HydrophobicContact CB-CD1 3.99Å; N203-L216 VanDerWaalsContact OD1-CB 3.28Å; N203-L216 WeakPolarHBondContact OD1-CB 3.25Å; N203-L216 PolarHBondContact OD1-N 2.85Å; I208-L216 HydrophobicContact CG2-CD1 3.73Å; L209-L216 HydrophobicContact CD2-CD1 3.82Å; L209-L216 HydrophobicContact CD2-CD2 4.19Å; L209-L216 HydrophobicContact CD2-CG 3.64Å; M212-L216 HydrophobicContact CB-CD2 3.77Å; M212-L216 HydrophobicContact CE-CD1 3.69Å; M212-L216 HydrophobicContact CE-CD2 3.46Å; M212-L216 VanDerWaalsContact CE-CD2 3.46Å; M212-L216 HydrophobicContact CE-CG 4.17Å; G213-L216 WeakPolarHBondContact O-CD2 3.38Å; L216-I251 HydrophobicContact CB-CD1 3.72Å; L216-I251 HydrophobicContact CB-CG1 4Å; L216-I251 HydrophobicContact CD1-CD1 3.93Å; L216-I251 HydrophobicContact CG-CD1 4.33Å
217A92.9Very high90.7Very high53 Ų5354.9 Ų54.944%0.43832%0.32SS..EExtended strand (participates in β ladder)trans-114.7129.6172.800000109.6K252A217-K252 PolarHBondContact N-O 3.16Å; A217-K252 PolarHBondContact O-N 3.27Å
218G89.6Confident90.1Very high25 Ų2555.1 Ų55.126%0.25833%0.327SS..EExtended strand (participates in β ladder)trans-87.3156.7170.600000110.2Y195 M199Y195-G218 WeakPolarHBondContact OH-CA 3.45Å; M199-G218 VanDerWaalsContact CE-N 3.3Å
219T87.8Confident89.2Confident36 Ų3656 Ų5622%0.22134%0.336CS..  trans-90172.617465.80000111.5V221 R222 P250T219-V221 VanDerWaalsContact C-N 3.3Å; T219-R222 PolarHBondContact O-NE 3.4Å; T219-R222 PolarHBondContact O-NH2 3.22Å; T219-P250 HydrophobicContact CG2-CB 4.04Å; T219-P250 HydrophobicContact CG2-CG 4.48Å; T219-P250 PolarHBondContact N-O 2.68Å; T219-P250 WeakPolarHBondContact OG1-CB 3.46Å; T219-P250 VanDerWaalsContact OG1-CD 3.25Å; T219-P250 WeakPolarHBondContact OG1-CD 3.39Å; T219-P250 WeakPolarHBondContact OG1-CG 3.4Å
220D86.9Confident88.1Confident143 Ų14355.4 Ų55.477%0.76534%0.34SS*.SBendtrans-78.4-18.9175.7-72.2-30.4000112.6R222D220-R222 PolarHBondContact O-N 3.24Å
221V89.5Confident87Confident32 Ų3249.7 Ų49.719%0.19432%0.315CS..  trans-75116176.5-177.80000110.5T219 P250 I313 A316 E320T219-V221 VanDerWaalsContact C-N 3.3Å; V221-P250 WeakPolarHBondContact O-CD 3.03Å; V221-I313 HydrophobicContact CG1-CD1 3.6Å; V221-A316 HydrophobicContact CG1-CB 3.96Å; V221-E320 VanDerWaalsContact CG2-OE2 3.32Å; V221-E320 WeakPolarHBondContact CG2-OE2 3.22Å
222R92.5Very high86Confident82 Ų8254.1 Ų54.131%0.30933%0.332SS..  trans-142.3136.4178.9-53.3179.6-168.814113.7110.1Y195 T219 D220 L247 F249Y195-R222 VanDerWaalsContact CZ-CZ 3.42Å; Y195-R222 PolarHBondContact OH-NH2 3.25Å; T219-R222 PolarHBondContact O-NE 3.4Å; T219-R222 PolarHBondContact O-NH2 3.22Å; D220-R222 PolarHBondContact O-N 3.24Å; R222-L247 HydrophobicContact CB-CD1 4.44Å; R222-F249 HydrophobicContact CB-CB 4.38Å; R222-F249 HydrophobicContact CG-CB 3.95Å
223A92.6Very high85Confident21 Ų2157.4 Ų57.417%0.17435%0.349CS..EExtended strand (participates in β ladder)trans-119138.3171.600000110.5L247 I248 L309 I313A223-L247 WeakPolarHBondContact O-CA 3.32Å; A223-I248 HydrophobicContact CB-CG2 3.84Å; A223-I248 PolarHBondContact N-O 2.87Å; A223-I248 PolarHBondContact O-N 2.88Å; A223-L309 HydrophobicContact CB-CB 4.48Å; A223-L309 HydrophobicContact CB-CD2 4.14Å; A223-I313 HydrophobicContact CB-CD1 3.55Å; A223-I313 HydrophobicContact CB-CG1 3.63Å
224Y92.6Very high83.9Confident126 Ų12664.3 Ų64.349%0.49438%0.378SS..EExtended strand (participates in β ladder)trans-136.6146.9175.464.5-88.7000111.7P191 M226 F246P191-Y224 HydrophobicContact CB-CD1 3.96Å; P191-Y224 HydrophobicContact CB-CD2 4.24Å; P191-Y224 HydrophobicContact CB-CE1 4.4Å; P191-Y224 HydrophobicContact CB-CG 3.88Å; P191-Y224 HydrophobicContact CG-CD1 4.04Å; P191-Y224 HydrophobicContact CG-CD2 4.23Å; P191-Y224 HydrophobicContact CG-CE1 3.97Å; P191-Y224 HydrophobicContact CG-CE2 4.16Å; P191-Y224 HydrophobicContact CG-CG 4.18Å; Y224-M226 HydrophobicContact CD2-CG 4.47Å; Y224-F246 CarbonylContact C-O 3.5Å; Y224-F246 WeakPolarHBondContact CA-O 3.5Å; Y224-F246 WeakPolarHBondContact CB-O 2.97Å
225V90.8Very high82.9Confident47 Ų4767.5 Ų67.529%0.28539%0.386SS..EExtended strand (participates in β ladder)trans-127.1130171170.20000109F246 L305 L309V225-F246 PolarHBondContact N-O 3.01Å; V225-F246 PolarHBondContact O-N 3.36Å; V225-L305 HydrophobicContact CG1-CD1 4.5Å; V225-L305 HydrophobicContact CG1-CD2 4.34Å; V225-L309 HydrophobicContact CB-CD1 4.12Å; V225-L309 HydrophobicContact CG2-CD1 3.76Å; V225-L309 HydrophobicContact CG2-CD2 3.52Å; V225-L309 HydrophobicContact CG2-CG 4.01Å
226M89Confident81.9Confident90 Ų9069.5 Ų69.544%0.44339%0.385SS..EExtended strand (participates in β ladder)trans-92.2123172.5-64.1-169.168.300109.6I189 Y224 K243 R244I189-M226 HydrophobicContact CB-CE 4.29Å; Y224-M226 HydrophobicContact CD2-CG 4.47Å; M226-K243 HydrophobicContact CE-CD 3.87Å; M226-R244 WeakPolarHBondContact CA-O 3.47Å
227S83.9Confident80.9Confident46 Ų4676.3 Ų76.332%0.32241%0.414SS..EExtended strand (participates in β ladder)trans-117.9143.9175.8-173.40000111.3R244S227-R244 PolarHBondContact N-O 2.88Å; S227-R244 PolarHBondContact O-N 2.82Å
228G79.8Confident79.7Confident56 Ų5678.6 Ų78.658%0.57741%0.414SS*.  trans76.1-154.6-179.100000113.6G230G228-G230 VanDerWaalsContact C-N 3.26Å; G228-G230 PolarHBondContact O-N 3.38Å
229G73.3Confident78.8Confident19 Ų1986.2 Ų86.220%0.19644%0.435CS..  trans82.1-5.9-176.500000116.8G241G229-G241 WeakPolarHBondContact CA-O 3.47Å; G229-G241 PolarHBondContact N-O 3.27Å
230G70.2Confident78.2Confident30 Ų3089.5 Ų89.531%0.30945%0.451SS..SBendtrans-76.4149.217700000112.1G228 K232 G241G228-G230 VanDerWaalsContact C-N 3.26Å; G228-G230 PolarHBondContact O-N 3.38Å; G230-K232 PolarHBondContact O-N 2.7Å; G230-G241 PolarHBondContact O-N 3.38Å
231P69.6Low77.5Confident26 Ų2684.1 Ų84.117%0.16943%0.429CS..EExtended strand (participates in β ladder)trans-59.8123.916126.4-31.3000108.9W126 F238W126-P231 HydrophobicContact CD2-CG 4.46Å; W126-P231 HydrophobicContact CE3-CB 4.37Å; W126-P231 HydrophobicContact CZ3-CB 4.41Å; P231-F238 HydrophobicContact CB-CD2 4.21Å; P231-F238 HydrophobicContact CB-CE2 3.25Å; P231-F238 HydrophobicContact CB-CZ 3.81Å
232K70Confident77Confident128 Ų12884.2 Ų84.256%0.55744%0.437SS*.EExtended strand (participates in β ladder)trans-112.1127.4171-68.3-167.8174.2-171.10108.5G230 R239G230-K232 PolarHBondContact O-N 2.7Å; K232-R239 PolarHBondContact N-O 3.46Å; K232-R239 PolarHBondContact O-N 2.91Å
233L69.6Low76.7Confident68 Ų6883.3 Ų83.336%0.35644%0.435SS..EExtended strand (participates in β ladder)trans-99.691.7172.3-153.881.2000107.6F238L233-F238 HydrophobicContact CD1-CB 4.35Å; L233-F238 HydrophobicContact CD1-CD2 4.46Å
234K68.4Low76.6Confident150 Ų15086.7 Ų86.765%0.65244%0.443SS*.EExtended strand (participates in β ladder)trans-105.6121.9171.2-172.1176.1176.3176.60107.3F236 K237K234-F236 PolarHBondContact O-N 3.24Å; K234-K237 WeakPolarHBondContact O-CB 3.42Å; K234-K237 PolarHBondContact O-N 3.48Å
235D69.8Low76.5Confident128 Ų12880.7 Ų80.768%0.68442%0.42SS*.THydrogen-bonded Turntrans56.243.1178.7-46.3-43.4000113.9K237D235-K237 PolarHBondContact O-N 2.82Å
236F67.9Low76.6Confident144 Ų14478.9 Ų78.963%0.63241%0.408SS*.THydrogen-bonded Turntrans57.77.4-174.1-70.3-90.7000115.3R115 K234R115-F236 HydrophobicContact CB-CE2 4.42Å; R115-F236 HydrophobicContact CB-CZ 4.11Å; R115-F236 HydrophobicContact CG-CZ 4.06Å; K234-F236 PolarHBondContact O-N 3.24Å
237K71.7Confident76.8Confident152 Ų15274.8 Ų74.866%0.66139%0.388SS*.EExtended strand (participates in β ladder)trans-93.9110.5172.9-68.1179-179.1174.70108.9K234 D235 R239K234-K237 WeakPolarHBondContact O-CB 3.42Å; K234-K237 PolarHBondContact O-N 3.48Å; D235-K237 PolarHBondContact O-N 2.82Å; K237-R239 PolarHBondContact O-N 2.9Å; K237-R239 VanDerWaalsContact O-N 3.1Å
238F69Low77.3Confident101 Ų10172.6 Ų72.644%0.44337%0.373SS..EExtended strand (participates in β ladder)trans-65.5108172.9-176.2-112000109.8W126 P231 L233 L240W126-F238 HydrophobicContact CE3-CE2 4.27Å; W126-F238 AromaticContact CH2-CD2 3.34Å; W126-F238 HydrophobicContact CH2-CD2 3.34Å; W126-F238 AromaticContact CH2-CE2 2.94Å; W126-F238 HydrophobicContact CH2-CE2 2.94Å; W126-F238 HydrophobicContact CH2-CG 4.36Å; W126-F238 AromaticContact CH2-CZ 3.71Å; W126-F238 HydrophobicContact CH2-CZ 3.71Å; W126-F238 HydrophobicContact CZ2-CD2 4.41Å; W126-F238 AromaticContact CZ2-CE2 3.63Å; W126-F238 HydrophobicContact CZ2-CE2 3.63Å; W126-F238 HydrophobicContact CZ2-CZ 4.02Å; W126-F238 AromaticContact CZ3-CD2 3.48Å; W126-F238 HydrophobicContact CZ3-CD2 3.48Å; W126-F238 VanDerWaalsContact CZ3-CD2 3.48Å; W126-F238 AromaticContact CZ3-CE2 3.3Å; W126-F238 HydrophobicContact CZ3-CE2 3.3Å; W126-F238 HydrophobicContact CZ3-CZ 4.42Å; P231-F238 HydrophobicContact CB-CD2 4.21Å; P231-F238 HydrophobicContact CB-CE2 3.25Å; P231-F238 HydrophobicContact CB-CZ 3.81Å; L233-F238 HydrophobicContact CD1-CB 4.35Å; L233-F238 HydrophobicContact CD1-CD2 4.46Å; F238-L240 HydrophobicContact CD1-CD1 3.88Å; F238-L240 HydrophobicContact CE1-CD1 3.26Å; F238-L240 HydrophobicContact CE1-CG 4.03Å; F238-L240 HydrophobicContact CZ-CD1 3.91Å; F238-L240 HydrophobicContact CZ-CG 4.18Å
239R70.5Confident78Confident185 Ų18569.9 Ų69.970%0.69835%0.345SS*.EExtended strand (participates in β ladder)trans-116.6117.9173.7-62.6-167.677.7172.64.9109.1K232 K237 G241K232-R239 PolarHBondContact N-O 3.46Å; K232-R239 PolarHBondContact O-N 2.91Å; K237-R239 PolarHBondContact O-N 2.9Å; K237-R239 VanDerWaalsContact O-N 3.1Å; R239-G241 PolarHBondContact O-N 3.07Å
240L73.9Confident79Confident105 Ų10569.3 Ų69.355%0.5534%0.338SS..EExtended strand (participates in β ladder)trans-72.6116.3164.5-69.294.1000108.3F238F238-L240 HydrophobicContact CD1-CD1 3.88Å; F238-L240 HydrophobicContact CE1-CD1 3.26Å; F238-L240 HydrophobicContact CE1-CG 4.03Å; F238-L240 HydrophobicContact CZ-CD1 3.91Å; F238-L240 HydrophobicContact CZ-CG 4.18Å
241G73.6Confident80.2Confident30 Ų3068 Ų6831%0.30932%0.324SS..PPolyproline II helixtrans-63.9136.3170.500000109.9G229 G230 R239 K243G229-G241 WeakPolarHBondContact CA-O 3.47Å; G229-G241 PolarHBondContact N-O 3.27Å; G230-G241 PolarHBondContact O-N 3.38Å; R239-G241 PolarHBondContact O-N 3.07Å; G241-K243 PolarHBondContact O-N 3.12Å
242G78.2Confident81.3Confident34 Ų3472.5 Ų72.535%0.35134%0.341SS..PPolyproline II helixtrans-61.7132.9169.500000110
243K86.4Confident82.4Confident64 Ų6466.8 Ų66.828%0.27832%0.318SS..PPolyproline II helixtrans-65.3140.2171.3-72.8-173.5-168-177.90109.4F187 I189 M226 G241 K266F187-K243 WeakPolarHBondContact O-CD 3.25Å; I189-K243 HydrophobicContact CD1-CB 3.71Å; I189-K243 WeakPolarHBondContact CD1-O 3.25Å; I189-K243 HydrophobicContact CG1-CB 4.02Å; M226-K243 HydrophobicContact CE-CD 3.87Å; G241-K243 PolarHBondContact O-N 3.12Å; K243-K266 PolarHBondContact O-N 3.34Å
244R89.8Confident83.5Confident91 Ų9167.4 Ų67.434%0.34333%0.329SS..EExtended strand (participates in β ladder)trans-118.7146.4169.7-61-176.1-173.2-146.79.8108.3M226 S227 F246 E263 V264 K265M226-R244 WeakPolarHBondContact CA-O 3.47Å; S227-R244 PolarHBondContact N-O 2.88Å; S227-R244 PolarHBondContact O-N 2.82Å; R244-F246 HydrophobicContact CB-CE2 4.09Å; R244-E263 WeakPolarHBondContact CD-OE1 3.5Å; R244-E263 IonicContact CZ-OE1 2.78Å; R244-E263 IonicContact NE-OE1 3.05Å; R244-E263 IonicContact NH1-OE1 3.94Å; R244-E263 PolarHBondContact NH1-OE1 2.86Å; R244-V264 CarbonylContact C-O 3.59Å; R244-V264 VanDerWaalsContact CA-O 3.27Å; R244-V264 WeakPolarHBondContact CA-O 3.2Å; R244-K265 HydrophobicContact CG-CB 4.34Å; R244-K265 HydrophobicContact CG-CD 4.44Å; R244-K265 HydrophobicContact CG-CG 4.21Å
245C91.5Very high84.6Confident1 Ų166.8 Ų66.81%0.00733%0.328CS..EExtended strand (participates in β ladder)trans-126.4122.5174.2-175.80000107.2I189 V264I189-C245 HydrophobicContact CB-CB 4.44Å; I189-C245 HydrophobicContact CD1-CB 4.07Å; I189-C245 HydrophobicContact CG2-CB 3.7Å; C245-V264 PolarHBondContact N-O 3.37Å; C245-V264 PolarHBondContact O-N 3.2Å
246F92.7Very high85.6Confident9 Ų965.3 Ų65.34%0.03931%0.313CS..EExtended strand (participates in β ladder)trans-97.2125.2168.7-60.7-86.7000105.9Y224 V225 R244 V262 E263 L305 I306Y224-F246 CarbonylContact C-O 3.5Å; Y224-F246 WeakPolarHBondContact CA-O 3.5Å; Y224-F246 WeakPolarHBondContact CB-O 2.97Å; V225-F246 PolarHBondContact N-O 3.01Å; V225-F246 PolarHBondContact O-N 3.36Å; R244-F246 HydrophobicContact CB-CE2 4.09Å; F246-V262 CarbonylContact C-O 3.52Å; F246-V262 WeakPolarHBondContact CA-O 3.21Å; F246-E263 HydrophobicContact CD1-CB 4.02Å; F246-E263 HydrophobicContact CD1-CG 3.9Å; F246-E263 HydrophobicContact CE1-CB 3.94Å; F246-E263 HydrophobicContact CE1-CG 3.45Å; F246-E263 VanDerWaalsContact CE1-CG 3.45Å; F246-E263 WeakPolarHBondContact CE1-OE2 3.27Å; F246-E263 HydrophobicContact CZ-CG 3.97Å; F246-L305 HydrophobicContact CD2-CB 4.22Å; F246-L305 HydrophobicContact CD2-CD1 3.66Å; F246-L305 HydrophobicContact CE2-CD1 3.47Å; F246-L305 VanDerWaalsContact CE2-CD1 3.47Å; F246-L305 HydrophobicContact CG-CB 4.25Å; F246-L305 HydrophobicContact CG-CD1 4.49Å; F246-L305 HydrophobicContact CZ-CD1 4.16Å; F246-I306 HydrophobicContact CB-CG1 4.33Å; F246-I306 HydrophobicContact CD1-CD1 4.01Å; F246-I306 HydrophobicContact CD1-CG1 3.83Å; F246-I306 HydrophobicContact CG-CG1 4.48Å
247L93.4Very high86.7Confident3 Ų365 Ų652%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-127.7132.4-179.9174.676.3000107.2V194 R222 A223 F249 V262V194-L247 HydrophobicContact CG1-CD2 4Å; R222-L247 HydrophobicContact CB-CD1 4.44Å; A223-L247 WeakPolarHBondContact O-CA 3.32Å; L247-F249 HydrophobicContact CD2-CD1 3.83Å; L247-F249 HydrophobicContact CD2-CE1 3.84Å; L247-F249 HydrophobicContact CG-CD1 3.91Å; L247-F249 HydrophobicContact CG-CE1 4.33Å; L247-V262 HydrophobicContact CB-CB 4.28Å; L247-V262 PolarHBondContact N-O 3.38Å; L247-V262 PolarHBondContact O-N 3Å
248I93.8Very high87.7Confident0 Ų058.1 Ų58.10%028%0.283CS..EExtended strand (participates in β ladder)trans-127.2136.6173-168.1168.3000109A223 L259 V260 I306 L309 R310 I313A223-I248 HydrophobicContact CB-CG2 3.84Å; A223-I248 PolarHBondContact N-O 2.87Å; A223-I248 PolarHBondContact O-N 2.88Å; I248-L259 HydrophobicContact CD1-CD2 3.54Å; I248-L259 HydrophobicContact CD1-CG 4.07Å; I248-L259 HydrophobicContact CG1-CD2 4.05Å; I248-L259 HydrophobicContact CG1-CG 4Å; I248-V260 VanDerWaalsContact CA-O 3.25Å; I248-V260 WeakPolarHBondContact CA-O 3.36Å; I248-V260 WeakPolarHBondContact CG1-O 3.28Å; I248-I306 HydrophobicContact CD1-CG2 4.21Å; I248-L309 HydrophobicContact CG2-CB 3.5Å; I248-L309 VanDerWaalsContact CG2-CB 3.5Å; I248-L309 HydrophobicContact CG2-CD1 4.18Å; I248-L309 HydrophobicContact CG2-CG 4.45Å; I248-R310 HydrophobicContact CD1-CB 4.46Å; I248-R310 HydrophobicContact CD1-CG 3.58Å; I248-I313 HydrophobicContact CG2-CG1 3.91Å
249F94.8Very high88.9Confident0 Ų054 Ų540%027%0.266CS..EExtended strand (participates in β ladder)trans-154.6149.2178.459.3-86.6000111.6Y195 A198 M199 L202 R222 L247 V260 V262Y195-F249 AromaticContact CD2-CD1 3.94Å; Y195-F249 HydrophobicContact CD2-CD1 3.94Å; Y195-F249 HydrophobicContact CD2-CD2 4.03Å; Y195-F249 AromaticContact CD2-CE1 3.9Å; Y195-F249 HydrophobicContact CD2-CE1 3.9Å; Y195-F249 AromaticContact CD2-CE2 3.99Å; Y195-F249 HydrophobicContact CD2-CE2 3.99Å; Y195-F249 AromaticContact CD2-CG 3.99Å; Y195-F249 HydrophobicContact CD2-CG 3.99Å; Y195-F249 AromaticContact CD2-CZ 3.91Å; Y195-F249 HydrophobicContact CD2-CZ 3.91Å; Y195-F249 HydrophobicContact CE2-CD1 4.36Å; Y195-F249 AromaticContact CE2-CD2 3.62Å; Y195-F249 HydrophobicContact CE2-CD2 3.62Å; Y195-F249 HydrophobicContact CE2-CE1 4.4Å; Y195-F249 AromaticContact CE2-CE2 3.66Å; Y195-F249 HydrophobicContact CE2-CE2 3.66Å; Y195-F249 AromaticContact CE2-CG 3.97Å; Y195-F249 HydrophobicContact CE2-CG 3.97Å; Y195-F249 HydrophobicContact CE2-CZ 4.06Å; A198-F249 HydrophobicContact CB-CE1 4.32Å; A198-F249 HydrophobicContact CB-CZ 4.15Å; M199-F249 HydrophobicContact SD-CE2 4.45Å; L202-F249 HydrophobicContact CD1-CE2 4.23Å; L202-F249 HydrophobicContact CD1-CZ 4.02Å; R222-F249 HydrophobicContact CB-CB 4.38Å; R222-F249 HydrophobicContact CG-CB 3.95Å; L247-F249 HydrophobicContact CD2-CD1 3.83Å; L247-F249 HydrophobicContact CD2-CE1 3.84Å; L247-F249 HydrophobicContact CG-CD1 3.91Å; L247-F249 HydrophobicContact CG-CE1 4.33Å; F249-V260 HydrophobicContact CD1-CB 4.23Å; F249-V260 HydrophobicContact CD2-CB 4.13Å; F249-V260 HydrophobicContact CD2-CG2 4.14Å; F249-V260 HydrophobicContact CE1-CB 3.91Å; F249-V260 HydrophobicContact CE1-CG1 3.82Å; F249-V260 HydrophobicContact CE2-CB 3.8Å; F249-V260 HydrophobicContact CE2-CG1 4.22Å; F249-V260 HydrophobicContact CE2-CG2 3.68Å; F249-V260 HydrophobicContact CG-CB 4.35Å; F249-V260 HydrophobicContact CZ-CB 3.69Å; F249-V260 HydrophobicContact CZ-CG1 3.63Å; F249-V260 HydrophobicContact CZ-CG2 3.98Å; F249-V260 PolarHBondContact N-O 2.91Å; F249-V260 VanDerWaalsContact N-O 3.16Å; F249-V260 PolarHBondContact O-N 3.23Å; F249-V262 HydrophobicContact CE1-CG2 3.82Å
250P94.8Very high90Very high6 Ų645.2 Ų45.24%0.03923%0.233CC..EExtended strand (participates in β ladder)trans-72.7146.8172-9.626.4000111.8T219 V221 L259 I313 M317T219-P250 HydrophobicContact CG2-CB 4.04Å; T219-P250 HydrophobicContact CG2-CG 4.48Å; T219-P250 PolarHBondContact N-O 2.68Å; T219-P250 WeakPolarHBondContact OG1-CB 3.46Å; T219-P250 VanDerWaalsContact OG1-CD 3.25Å; T219-P250 WeakPolarHBondContact OG1-CD 3.39Å; T219-P250 WeakPolarHBondContact OG1-CG 3.4Å; V221-P250 WeakPolarHBondContact O-CD 3.03Å; P250-L259 HydrophobicContact CG-CD1 4.47Å; P250-I313 HydrophobicContact CG-CG2 4.24Å; P250-M317 HydrophobicContact CB-CG 4.36Å; P250-M317 HydrophobicContact CB-SD 3.49Å; P250-M317 WeakPolarHBondContact CB-SD 3.17Å; P250-M317 HydrophobicContact CG-CG 3.69Å; P250-M317 HydrophobicContact CG-SD 3.37Å; P250-M317 WeakPolarHBondContact CG-SD 3.31Å
251I94.7Very high91Very high3 Ų340.2 Ų40.22%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-131144.6171.5-163.8163.3000109.8M199 L202 M212 L216 K257 G258 V260 V278M199-I251 HydrophobicContact CE-CD1 3.81Å; M199-I251 HydrophobicContact CE-CG1 4.17Å; M199-I251 HydrophobicContact SD-CD1 3.81Å; L202-I251 HydrophobicContact CB-CD1 4.37Å; L202-I251 HydrophobicContact CD1-CD1 3.7Å; M212-I251 HydrophobicContact CE-CD1 4.11Å; M212-I251 HydrophobicContact CE-CG1 4.32Å; M212-I251 HydrophobicContact CE-CG2 3.66Å; M212-I251 HydrophobicContact SD-CG2 3.84Å; L216-I251 HydrophobicContact CB-CD1 3.72Å; L216-I251 HydrophobicContact CB-CG1 4Å; L216-I251 HydrophobicContact CD1-CD1 3.93Å; L216-I251 HydrophobicContact CG-CD1 4.33Å; I251-K257 CarbonylContact O-C 3.51Å; I251-K257 WeakPolarHBondContact O-CA 3.41Å; I251-G258 PolarHBondContact N-O 3.43Å; I251-G258 PolarHBondContact O-N 2.95Å; I251-V260 HydrophobicContact CB-CG2 3.87Å; I251-V260 HydrophobicContact CD1-CG2 4.28Å; I251-V260 HydrophobicContact CG2-CG2 3.58Å; I251-V278 HydrophobicContact CG2-CG1 4.38Å
252K93.6Very high91.9Very high120 Ų12038.8 Ų38.852%0.52219%0.192SC..EExtended strand (participates in β ladder)trans-123.1119.2178.2-178.6179.2177.9-175.10108.1A217 K257A217-K252 PolarHBondContact N-O 3.16Å; A217-K252 PolarHBondContact O-N 3.27Å; K252-K257 HydrophobicContact CG-CG 4.31Å
253G92.8Very high92.6Very high9 Ų937.5 Ų37.59%0.09318%0.177CC..  trans-94.2-177.2163.600000111.2M212 G213 E255 R256M212-G253 CarbonylContact O-C 3.58Å; M212-G253 VanDerWaalsContact O-CA 3.3Å; M212-G253 WeakPolarHBondContact O-CA 3.46Å; G213-G253 WeakPolarHBondContact O-CA 3.48Å; G253-E255 VanDerWaalsContact C-N 3.31Å; G253-R256 PolarHBondContact N-O 2.82Å
254S92.3Very high93Very high81 Ų8134.5 Ų34.557%0.56616%0.163SC*.SBendtrans-71.4-26176.945.60000113.1M212 G213 A214M212-S254 PolarHBondContact O-N 3.45Å; G213-S254 WeakPolarHBondContact CA-OG 3.39Å; G213-S254 PolarHBondContact O-N 3.24Å; A214-S254 PolarHBondContact N-OG 2.8Å; A214-S254 WeakPolarHBondContact O-CB 3.37Å; A214-S254 PolarHBondContact O-OG 2.88Å
255E90.8Very high93.1Very high136 Ų13632.6 Ų32.664%0.63616%0.158SC*.SBendtrans-104-44.7-179.1-59.4-176.5-17900112.4M212 G253M212-E255 WeakPolarHBondContact O-CB 3.03Å; M212-E255 PolarHBondContact O-N 2.9Å; G253-E255 VanDerWaalsContact C-N 3.31Å
256R91.5Very high92.9Very high97 Ų9733.6 Ų33.637%0.36616%0.162SC..  trans-136.3154.7-171.6-59.8-173.6-175.1179.23113M212 G253 I280 M282M212-R256 PolarHBondContact O-N 2.88Å; G253-R256 PolarHBondContact N-O 2.82Å; R256-I280 HydrophobicContact CB-CG2 4.13Å; R256-M282 PolarHBondContact NH1-SD 3.3Å
257K91.8Very high92.6Very high138 Ų13837.7 Ų37.760%0.618%0.18SC*.EExtended strand (participates in β ladder)trans-94155.4167.8-63.2-178-179.3-174.90109.2I251 K252 P281I251-K257 CarbonylContact O-C 3.51Å; I251-K257 WeakPolarHBondContact O-CA 3.41Å; K252-K257 HydrophobicContact CG-CG 4.31Å; K257-P281 WeakPolarHBondContact O-CD 3.44Å
258G92.4Very high92.1Very high7 Ų747.4 Ų47.47%0.07222%0.222CC..EExtended strand (participates in β ladder)trans-153.7169.9176.200000112.6I251 D279I251-G258 PolarHBondContact N-O 3.43Å; I251-G258 PolarHBondContact O-N 2.95Å; G258-D279 CarbonylContact C-O 3.44Å; G258-D279 WeakPolarHBondContact CA-O 2.94Å
259L93.2Very high91.5Very high16 Ų1648.5 Ų48.58%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-117.3121.7177.6-154.676.2000109.2I248 P250 V278 D279 R310 I313 M317I248-L259 HydrophobicContact CD1-CD2 3.54Å; I248-L259 HydrophobicContact CD1-CG 4.07Å; I248-L259 HydrophobicContact CG1-CD2 4.05Å; I248-L259 HydrophobicContact CG1-CG 4Å; P250-L259 HydrophobicContact CG-CD1 4.47Å; L259-V278 WeakPolarHBondContact O-CA 3.41Å; L259-D279 HydrophobicContact CB-CB 4.48Å; L259-D279 PolarHBondContact N-O 3.44Å; L259-D279 PolarHBondContact O-N 3.02Å; L259-R310 HydrophobicContact CD2-CG 4.13Å; L259-I313 HydrophobicContact CD1-CG2 3.87Å; L259-M317 HydrophobicContact CD1-CE 3.92Å; L259-M317 HydrophobicContact CD1-SD 4.39Å
260V94.5Very high91.2Very high0 Ų055.8 Ų55.80%027%0.267CS..EExtended strand (participates in β ladder)trans-95.5126.4-177.5-173.70000109.6L202 I248 F249 I251 V262 L276 A277 V278L202-V260 HydrophobicContact CD1-CG1 3.94Å; L202-V260 HydrophobicContact CD1-CG2 3.82Å; I248-V260 VanDerWaalsContact CA-O 3.25Å; I248-V260 WeakPolarHBondContact CA-O 3.36Å; I248-V260 WeakPolarHBondContact CG1-O 3.28Å; F249-V260 HydrophobicContact CD1-CB 4.23Å; F249-V260 HydrophobicContact CD2-CB 4.13Å; F249-V260 HydrophobicContact CD2-CG2 4.14Å; F249-V260 HydrophobicContact CE1-CB 3.91Å; F249-V260 HydrophobicContact CE1-CG1 3.82Å; F249-V260 HydrophobicContact CE2-CB 3.8Å; F249-V260 HydrophobicContact CE2-CG1 4.22Å; F249-V260 HydrophobicContact CE2-CG2 3.68Å; F249-V260 HydrophobicContact CG-CB 4.35Å; F249-V260 HydrophobicContact CZ-CB 3.69Å; F249-V260 HydrophobicContact CZ-CG1 3.63Å; F249-V260 HydrophobicContact CZ-CG2 3.98Å; F249-V260 PolarHBondContact N-O 2.91Å; F249-V260 VanDerWaalsContact N-O 3.16Å; F249-V260 PolarHBondContact O-N 3.23Å; I251-V260 HydrophobicContact CB-CG2 3.87Å; I251-V260 HydrophobicContact CD1-CG2 4.28Å; I251-V260 HydrophobicContact CG2-CG2 3.58Å; V260-V262 HydrophobicContact CG1-CG2 3.72Å; V260-L276 HydrophobicContact CG1-CD1 3.8Å; V260-A277 CarbonylContact C-O 3.39Å; V260-A277 WeakPolarHBondContact CA-O 3.5Å; V260-V278 HydrophobicContact CG2-CG2 4.17Å
261S93.7Very high91Very high0 Ų057.9 Ų57.90%028%0.275CS..EExtended strand (participates in β ladder)trans-108.7122.1174-60.40000110.1A277 I306 R310S261-A277 PolarHBondContact N-O 3.01Å; S261-A277 PolarHBondContact O-N 3.44Å; S261-I306 WeakPolarHBondContact OG-CG2 3.22Å; S261-R310 PolarHBondContact OG-NH2 3.47Å
262V94.1Very high90.9Very high0 Ų060 Ų600%029%0.286CS..EExtended strand (participates in β ladder)trans-126.4129.9-176.7-166.70000111.2V194 A198 F246 L247 F249 V260 V264 L275 L276V194-V262 HydrophobicContact CG1-CG1 4.13Å; A198-V262 HydrophobicContact CB-CG2 4.12Å; F246-V262 CarbonylContact C-O 3.52Å; F246-V262 WeakPolarHBondContact CA-O 3.21Å; L247-V262 HydrophobicContact CB-CB 4.28Å; L247-V262 PolarHBondContact N-O 3.38Å; L247-V262 PolarHBondContact O-N 3Å; F249-V262 HydrophobicContact CE1-CG2 3.82Å; V260-V262 HydrophobicContact CG1-CG2 3.72Å; V262-V264 HydrophobicContact CG1-CG2 3.67Å; V262-L275 WeakPolarHBondContact CA-O 3.35Å; V262-L276 HydrophobicContact CG2-CD1 3.73Å
263E93Very high90.9Very high7 Ų755 Ų553%0.03327%0.265CS..EExtended strand (participates in β ladder)trans-114.4124.3164.9-176.4-177.716500109.9R244 F246 K274 L275R244-E263 WeakPolarHBondContact CD-OE1 3.5Å; R244-E263 IonicContact CZ-OE1 2.78Å; R244-E263 IonicContact NE-OE1 3.05Å; R244-E263 IonicContact NH1-OE1 3.94Å; R244-E263 PolarHBondContact NH1-OE1 2.86Å; F246-E263 HydrophobicContact CD1-CB 4.02Å; F246-E263 HydrophobicContact CD1-CG 3.9Å; F246-E263 HydrophobicContact CE1-CB 3.94Å; F246-E263 HydrophobicContact CE1-CG 3.45Å; F246-E263 VanDerWaalsContact CE1-CG 3.45Å; F246-E263 WeakPolarHBondContact CE1-OE2 3.27Å; F246-E263 HydrophobicContact CZ-CG 3.97Å; E263-K274 HydrophobicContact CB-CB 4.21Å; E263-K274 HydrophobicContact CG-CB 4.07Å; E263-K274 PolarHBondContact O-N 2.82Å; E263-L275 HydrophobicContact CB-CB 3.73Å; E263-L275 PolarHBondContact N-O 3.46Å; E263-L275 PolarHBondContact O-N 3.07Å
264V93.4Very high90.8Very high0 Ų057.1 Ų57.10%027%0.271CS..EExtended strand (participates in β ladder)trans-126134.8175.3-174.70000111.4V194 R244 C245 V262 Y271 M273V194-V264 HydrophobicContact CB-CG2 4.44Å; V194-V264 HydrophobicContact CG1-CB 4.21Å; V194-V264 HydrophobicContact CG1-CG2 3.43Å; V194-V264 VanDerWaalsContact CG1-CG2 3.43Å; V194-V264 HydrophobicContact CG2-CB 4.19Å; V194-V264 HydrophobicContact CG2-CG1 4.24Å; V194-V264 HydrophobicContact CG2-CG2 4.2Å; R244-V264 CarbonylContact C-O 3.59Å; R244-V264 VanDerWaalsContact CA-O 3.27Å; R244-V264 WeakPolarHBondContact CA-O 3.2Å; C245-V264 PolarHBondContact N-O 3.37Å; C245-V264 PolarHBondContact O-N 3.2Å; V262-V264 HydrophobicContact CG1-CG2 3.67Å; V264-Y271 HydrophobicContact CG1-CD1 3.78Å; V264-Y271 HydrophobicContact CG1-CG 4.29Å; V264-M273 HydrophobicContact CG2-CG 3.81Å
265K91.4Very high90.9Very high51 Ų5153.2 Ų53.222%0.22224%0.244CC..EExtended strand (participates in β ladder)trans-111.6130.4171.5-173170.9178.4177.90109.8R244 K267 D272 K274R244-K265 HydrophobicContact CG-CB 4.34Å; R244-K265 HydrophobicContact CG-CD 4.44Å; R244-K265 HydrophobicContact CG-CG 4.21Å; K265-K267 HydrophobicContact CG-CG 4.31Å; K265-D272 PolarHBondContact N-O 2.89Å; K265-D272 WeakPolarHBondContact O-CB 3.29Å; K265-D272 PolarHBondContact O-N 3.31Å; K265-K274 HydrophobicContact CB-CG 4.45Å
266K88.8Confident91.1Very high23 Ų2346.8 Ų46.810%0.121%0.214CC..EExtended strand (participates in β ladder)trans-92.9120.4175.7-168.3168.2-176.2176.50110.7S185 R186 T188 I189 K243 Q270 Y271S185-K266 PolarHBondContact O-NZ 2.74Å; R186-K266 WeakPolarHBondContact O-CE 3.15Å; T188-K266 WeakPolarHBondContact O-CD 3.38Å; T188-K266 PolarHBondContact O-NZ 2.8Å; I189-K266 HydrophobicContact CD1-CB 3.81Å; I189-K266 HydrophobicContact CG1-CB 3.65Å; I189-K266 HydrophobicContact CG1-CD 4.04Å; K243-K266 PolarHBondContact O-N 3.34Å; K266-Q270 WeakPolarHBondContact CA-O 3.42Å; K266-Y271 HydrophobicContact CD-CE1 4.05Å; K266-Y271 PolarHBondContact NZ-OH 2.82Å
267K85.7Confident91.2Very high95 Ų9542.2 Ų42.241%0.41320%0.197SC..EExtended strand (participates in β ladder)trans-125.7125.9178.9-67.9176.8-177.6160.10109.2K265 G269 Q270 D272K265-K267 HydrophobicContact CG-CG 4.31Å; K267-G269 PolarHBondContact O-N 3.16Å; K267-Q270 PolarHBondContact N-O 3.49Å; K267-Q270 PolarHBondContact O-N 3.4Å; K267-D272 WeakPolarHBondContact CE-OD2 3.46Å; K267-D272 IonicContact NZ-OD2 3.23Å; K267-D272 PolarHBondContact NZ-OD2 3.12Å
268K82.1Confident91.3Very high207 Ų20735.7 Ų35.790%0.917%0.169SC*.THydrogen-bonded Turntrans49.430177.6-58.9-177179.5-178.50114.4
269G82.5Confident91.3Very high23 Ų2335.4 Ų35.424%0.23717%0.166CC..THydrogen-bonded Turntrans91.6-11.2-178.200000116.1K267K267-G269 PolarHBondContact O-N 3.16Å
270Q87.9Confident91.2Very high153 Ų15334.7 Ų34.772%0.71516%0.162SC*.EExtended strand (participates in β ladder)trans-95.7148.2176.7-65.7179.1-5.100111.3K266 K267K266-Q270 WeakPolarHBondContact CA-O 3.42Å; K267-Q270 PolarHBondContact N-O 3.49Å; K267-Q270 PolarHBondContact O-N 3.4Å
271Y91.7Very high90.9Very high49 Ų4938.2 Ų38.219%0.19219%0.185CC..EExtended strand (participates in β ladder)trans-91.1112.8176.1-66.1-85000108.9I189 N190 K193 V194 I197 V264 K266I189-Y271 HydrophobicContact CB-CE1 4.43Å; I189-Y271 HydrophobicContact CG2-CD1 4.34Å; I189-Y271 HydrophobicContact CG2-CE1 3.71Å; N190-Y271 PolarHBondContact N-OH 2.86Å; K193-Y271 HydrophobicContact CD-CE2 3.6Å; K193-Y271 HydrophobicContact CG-CE2 3.97Å; V194-Y271 HydrophobicContact CG2-CD1 3.86Å; V194-Y271 HydrophobicContact CG2-CE1 3.91Å; I197-Y271 HydrophobicContact CD1-CD2 4.04Å; I197-Y271 HydrophobicContact CD1-CG 4.3Å; V264-Y271 HydrophobicContact CG1-CD1 3.78Å; V264-Y271 HydrophobicContact CG1-CG 4.29Å; K266-Y271 HydrophobicContact CD-CE1 4.05Å; K266-Y271 PolarHBondContact NZ-OH 2.82Å
272D92.1Very high90.5Very high48 Ų4841.2 Ų41.226%0.25720%0.2SC..EExtended strand (participates in β ladder)trans-100102.6176.3178.113.5000107.4K265 K267 K274K265-D272 PolarHBondContact N-O 2.89Å; K265-D272 WeakPolarHBondContact O-CB 3.29Å; K265-D272 PolarHBondContact O-N 3.31Å; K267-D272 WeakPolarHBondContact CE-OD2 3.46Å; K267-D272 IonicContact NZ-OD2 3.23Å; K267-D272 PolarHBondContact NZ-OD2 3.12Å; D272-K274 PolarHBondContact O-N 2.93Å; D272-K274 IonicContact OD1-NZ 3.63Å; D272-K274 PolarHBondContact OD1-NZ 3.24Å; D272-K274 WeakPolarHBondContact OD2-CE 3.33Å; D272-K274 IonicContact OD2-NZ 3.76Å; D272-K274 PolarHBondContact OD2-NZ 2.96Å
273M92.5Very high89.9Confident16 Ų1646.8 Ų46.88%0.07925%0.245CC..EExtended strand (participates in β ladder)trans-70.6121175.2-74.9173.5164.500108.6I197 A198 K201 V264 V293I197-M273 HydrophobicContact CB-CE 3.8Å; I197-M273 HydrophobicContact CG2-CE 3.39Å; I197-M273 HydrophobicContact CG2-SD 4.22Å; A198-M273 HydrophobicContact CB-CE 4.08Å; K201-M273 HydrophobicContact CD-CE 4.44Å; K201-M273 HydrophobicContact CD-SD 3.57Å; K201-M273 VanDerWaalsContact CD-SD 3.57Å; K201-M273 VanDerWaalsContact CE-SD 3.53Å; K201-M273 PolarHBondContact NZ-SD 2.78Å; V264-M273 HydrophobicContact CG2-CG 3.81Å; M273-V293 HydrophobicContact CB-CG1 4.44Å
274K92.2Very high89.2Confident52 Ų5251.9 Ų51.923%0.22628%0.282CS..EExtended strand (participates in β ladder)trans-90.5-50175.3-69.5-77.6145.9-103.60108.9E263 K265 D272 G294E263-K274 HydrophobicContact CB-CB 4.21Å; E263-K274 HydrophobicContact CG-CB 4.07Å; E263-K274 PolarHBondContact O-N 2.82Å; K265-K274 HydrophobicContact CB-CG 4.45Å; D272-K274 PolarHBondContact O-N 2.93Å; D272-K274 IonicContact OD1-NZ 3.63Å; D272-K274 PolarHBondContact OD1-NZ 3.24Å; D272-K274 WeakPolarHBondContact OD2-CE 3.33Å; D272-K274 IonicContact OD2-NZ 3.76Å; D272-K274 PolarHBondContact OD2-NZ 2.96Å; K274-G294 WeakPolarHBondContact O-CA 3.27Å; K274-G294 PolarHBondContact O-N 3.4Å
275L93.4Very high88.4Confident0 Ų054.3 Ų54.30%031%0.307CS..EExtended strand (participates in β ladder)trans-125.9135.6-179.4-176.769000110.3V262 E263 A277 F291 V293 Y299 I306V262-L275 WeakPolarHBondContact CA-O 3.35Å; E263-L275 HydrophobicContact CB-CB 3.73Å; E263-L275 PolarHBondContact N-O 3.46Å; E263-L275 PolarHBondContact O-N 3.07Å; L275-A277 HydrophobicContact CD1-CB 4.24Å; L275-A277 HydrophobicContact CG-CB 4.49Å; L275-F291 HydrophobicContact CD1-CD1 4.08Å; L275-F291 HydrophobicContact CD1-CE1 4.19Å; L275-V293 CarbonylContact C-O 3.57Å; L275-V293 WeakPolarHBondContact CA-O 3.4Å; L275-Y299 HydrophobicContact CD1-CD2 4.36Å; L275-Y299 HydrophobicContact CD2-CD2 3.87Å; L275-Y299 HydrophobicContact CD2-CG 4.41Å; L275-I306 HydrophobicContact CD2-CD1 3.68Å
276L94.6Very high88.1Confident0 Ų057.5 Ų57.50%033%0.333CS..EExtended strand (participates in β ladder)trans-141.8100.6164.5178.559.4000106.9A198 K201 L202 V260 V262 L292 V293A198-L276 HydrophobicContact CB-CD1 4.23Å; K201-L276 HydrophobicContact CB-CD2 3.87Å; K201-L276 HydrophobicContact CD-CD2 4.1Å; L202-L276 HydrophobicContact CD2-CD1 4.2Å; L202-L276 HydrophobicContact CD2-CD2 4.45Å; L202-L276 HydrophobicContact CD2-CG 4.38Å; L202-L276 HydrophobicContact CG-CD1 4.45Å; V260-L276 HydrophobicContact CG1-CD1 3.8Å; V262-L276 HydrophobicContact CG2-CD1 3.73Å; L276-L292 HydrophobicContact CB-CB 4.26Å; L276-L292 HydrophobicContact CD2-CB 3.97Å; L276-L292 HydrophobicContact CD2-CD2 3.75Å; L276-L292 HydrophobicContact CG-CB 3.98Å; L276-L292 HydrophobicContact CG-CD2 4.39Å; L276-L292 PolarHBondContact O-N 3Å; L276-V293 HydrophobicContact CB-CB 3.95Å; L276-V293 HydrophobicContact CB-CG2 4.11Å; L276-V293 PolarHBondContact N-O 3.4Å; L276-V293 PolarHBondContact O-N 3.37Å
277A93.7Very high87.9Confident1 Ų160.7 Ų60.71%0.00835%0.351CS..EExtended strand (participates in β ladder)trans-123.7148.7-179.300000110.5V260 S261 L275 R289 L290 F291 Y299V260-A277 CarbonylContact C-O 3.39Å; V260-A277 WeakPolarHBondContact CA-O 3.5Å; S261-A277 PolarHBondContact N-O 3.01Å; S261-A277 PolarHBondContact O-N 3.44Å; L275-A277 HydrophobicContact CD1-CB 4.24Å; L275-A277 HydrophobicContact CG-CB 4.49Å; A277-R289 HydrophobicContact CB-CG 4.35Å; A277-L290 CarbonylContact C-O 3.57Å; A277-L290 VanDerWaalsContact CA-O 3.24Å; A277-L290 WeakPolarHBondContact CA-O 3.45Å; A277-F291 HydrophobicContact CB-CD1 3.67Å; A277-F291 HydrophobicContact CB-CE1 3.85Å; A277-Y299 HydrophobicContact CB-CD2 4.08Å; A277-Y299 HydrophobicContact CB-CE2 4.46Å
278V94Very high88.1Confident1 Ų159.9 Ų59.91%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-122.3124.4173.6-174.20000108.4L202 I208 M212 I251 L259 V260 I280 R289 L290L202-V278 HydrophobicContact CD2-CG2 3.54Å; I208-V278 HydrophobicContact CD1-CG2 3.73Å; M212-V278 HydrophobicContact CE-CG1 4.18Å; M212-V278 HydrophobicContact SD-CG1 3.89Å; I251-V278 HydrophobicContact CG2-CG1 4.38Å; L259-V278 WeakPolarHBondContact O-CA 3.41Å; V260-V278 HydrophobicContact CG2-CG2 4.17Å; V278-I280 HydrophobicContact CG1-CG1 4Å; V278-R289 WeakPolarHBondContact O-CA 3.44Å; V278-L290 PolarHBondContact N-O 3.46Å; V278-L290 PolarHBondContact O-N 3.36Å
279D92.1Very high88.6Confident2 Ų253.8 Ų53.81%0.01132%0.32CS..EExtended strand (participates in β ladder)trans-98.3121.7172-61.2-92.3000109G258 L259 R289 R310G258-D279 CarbonylContact C-O 3.44Å; G258-D279 WeakPolarHBondContact CA-O 2.94Å; L259-D279 HydrophobicContact CB-CB 4.48Å; L259-D279 PolarHBondContact N-O 3.44Å; L259-D279 PolarHBondContact O-N 3.02Å; D279-R289 IonicContact OD1-CZ 2.62Å; D279-R289 VanDerWaalsContact OD1-CZ 3.23Å; D279-R289 IonicContact OD1-NE 3.97Å; D279-R289 PolarHBondContact OD1-NE 3.22Å; D279-R289 IonicContact OD1-NH2 2.75Å; D279-R289 PolarHBondContact OD1-NH2 2.67Å; D279-R289 IonicContact OD2-NE 3.27Å; D279-R310 VanDerWaalsContact CG-NH2 3.33Å; D279-R310 IonicContact OD1-NH1 2.74Å; D279-R310 IonicContact OD1-NH2 2.9Å; D279-R310 IonicContact OD2-CZ 2.82Å; D279-R310 IonicContact OD2-NH1 3.9Å; D279-R310 IonicContact OD2-NH2 3.45Å; D279-R310 PolarHBondContact OD2-NH2 2.79Å
280I91.9Very high89Confident0 Ų054.4 Ų54.40%032%0.318CS..EExtended strand (participates in β ladder)trans-110.5111-179-56.5175000106.9V211 M212 R256 V278 M282 Q288 L290V211-I280 HydrophobicContact CB-CD1 4.12Å; V211-I280 HydrophobicContact CG1-CD1 3.49Å; V211-I280 VanDerWaalsContact CG1-CD1 3.49Å; M212-I280 HydrophobicContact CG-CD1 3.64Å; M212-I280 HydrophobicContact CG-CG1 4.26Å; M212-I280 HydrophobicContact SD-CD1 4.22Å; M212-I280 HydrophobicContact SD-CG1 4.26Å; R256-I280 HydrophobicContact CB-CG2 4.13Å; V278-I280 HydrophobicContact CG1-CG1 4Å; I280-M282 PolarHBondContact O-N 3.44Å; I280-Q288 PolarHBondContact N-O 3.41Å; I280-Q288 PolarHBondContact O-N 2.98Å; I280-L290 HydrophobicContact CD1-CD1 3.83Å; I280-L290 HydrophobicContact CD1-CG 4.49Å
281P88.8Confident89.3Confident75 Ų7550.6 Ų50.649%0.48730%0.299SS..  trans-62.8125173.826.1-33.7000109.7K257 D287K257-P281 WeakPolarHBondContact O-CD 3.44Å; P281-D287 WeakPolarHBondContact CA-OD1 3.41Å
282M85.3Confident89.4Confident63 Ų6350.7 Ų50.731%0.3130%0.303SS..  trans-91.2140.7176.8-64.4-64.4-68.300109.4R256 I280 S284 P286 Q288R256-M282 PolarHBondContact NH1-SD 3.3Å; I280-M282 PolarHBondContact O-N 3.44Å; M282-S284 PolarHBondContact O-N 3.01Å; M282-P286 WeakPolarHBondContact CG-O 3.26Å; M282-Q288 HydrophobicContact CG-CB 4.13Å; M282-Q288 HydrophobicContact SD-CB 4.16Å
283A80.3Confident89.4Confident116 Ų11650.4 Ų50.496%0.95930%0.303SS*.SBendtrans-63.5-29.317800000112.8
284S78.1Confident89.3Confident114 Ų11451.3 Ų51.380%0.79732%0.316SS*.SBendtrans-142.2116.8173.4-175.50000108.3M282M282-S284 PolarHBondContact O-N 3.01Å
285G77.6Confident89.1Confident51 Ų5152.1 Ų52.153%0.52632%0.323SS..SBendtrans117.6176.7-179.400000114.1
286P84.7Confident88.9Confident119 Ų11956.8 Ų56.877%0.77334%0.344SS*.SBendtrans-66.9152.2175.329.8-34.6000110.9M282 Q288M282-P286 WeakPolarHBondContact CG-O 3.26Å; P286-Q288 PolarHBondContact O-N 3.45Å
287D85.8Confident88.5Confident89 Ų8963.7 Ų63.748%0.47638%0.377SS..PPolyproline II helixtrans-52.9130.9173.7-65.4-10.2000111P281 R289P281-D287 WeakPolarHBondContact CA-OD1 3.41Å; D287-R289 PolarHBondContact O-N 2.91Å
288Q89.5Confident87.9Confident78 Ų7867 Ų6736%0.36439%0.392SS..EExtended strand (participates in β ladder)trans-82.8118.1175-174.4174.31700109I280 M282 P286 L290I280-Q288 PolarHBondContact N-O 3.41Å; I280-Q288 PolarHBondContact O-N 2.98Å; M282-Q288 HydrophobicContact CG-CB 4.13Å; M282-Q288 HydrophobicContact SD-CB 4.16Å; P286-Q288 PolarHBondContact O-N 3.45Å; Q288-L290 HydrophobicContact CG-CD2 4.25Å
289R91.5Very high87.5Confident80 Ų8067.8 Ų67.830%0.30240%0.395SS..EExtended strand (participates in β ladder)trans-101.2120.7176.3-173.8176.5-67.113414.9111A277 V278 D279 D287 F291 Y299A277-R289 HydrophobicContact CB-CG 4.35Å; V278-R289 WeakPolarHBondContact O-CA 3.44Å; D279-R289 IonicContact OD1-CZ 2.62Å; D279-R289 VanDerWaalsContact OD1-CZ 3.23Å; D279-R289 IonicContact OD1-NE 3.97Å; D279-R289 PolarHBondContact OD1-NE 3.22Å; D279-R289 IonicContact OD1-NH2 2.75Å; D279-R289 PolarHBondContact OD1-NH2 2.67Å; D279-R289 IonicContact OD2-NE 3.27Å; D287-R289 PolarHBondContact O-N 2.91Å; R289-F291 HydrophobicContact CG-CE1 3.99Å; R289-F291 HydrophobicContact CG-CE2 3.96Å; R289-F291 HydrophobicContact CG-CZ 3.69Å; R289-Y299 VanDerWaalsContact NH1-CD1 3.34Å; R289-Y299 PolarHBondContact NH2-OH 3.48Å
290L92.4Very high87.1Confident36 Ų3674.1 Ų74.119%0.18842%0.422CS..EExtended strand (participates in β ladder)trans-105.8128.1175.3-59.1178.3000109.7V211 A277 V278 I280 Q288V211-L290 HydrophobicContact CB-CD1 4.17Å; V211-L290 HydrophobicContact CG1-CD1 4.43Å; V211-L290 HydrophobicContact CG2-CD1 4.07Å; A277-L290 CarbonylContact C-O 3.57Å; A277-L290 VanDerWaalsContact CA-O 3.24Å; A277-L290 WeakPolarHBondContact CA-O 3.45Å; V278-L290 PolarHBondContact N-O 3.46Å; V278-L290 PolarHBondContact O-N 3.36Å; I280-L290 HydrophobicContact CD1-CD1 3.83Å; I280-L290 HydrophobicContact CD1-CG 4.49Å; Q288-L290 HydrophobicContact CG-CD2 4.25Å
291F93.2Very high86.3Confident73 Ų7380 Ų8032%0.3246%0.458SS..EExtended strand (participates in β ladder)trans-102.9119.8176.9-61.8-78.3000110.1L275 A277 R289 E296 Y299L275-F291 HydrophobicContact CD1-CD1 4.08Å; L275-F291 HydrophobicContact CD1-CE1 4.19Å; A277-F291 HydrophobicContact CB-CD1 3.67Å; A277-F291 HydrophobicContact CB-CE1 3.85Å; R289-F291 HydrophobicContact CG-CE1 3.99Å; R289-F291 HydrophobicContact CG-CE2 3.96Å; R289-F291 HydrophobicContact CG-CZ 3.69Å; F291-E296 HydrophobicContact CE2-CB 4.26Å; F291-E296 HydrophobicContact CZ-CB 4.04Å; F291-E296 HydrophobicContact CZ-CG 4.23Å; F291-Y299 HydrophobicContact CE1-CD2 4.05Å; F291-Y299 HydrophobicContact CE1-CG 4.02Å; F291-Y299 HydrophobicContact CZ-CG 4.4Å
292L93Very high85.2Confident51 Ų5176.6 Ų76.627%0.26744%0.436SS..EExtended strand (participates in β ladder)trans-91.6-37171.3-124.661.1000111.8K201 L202 S205 I208 L276K201-L292 HydrophobicContact CB-CD2 4.49Å; L202-L292 HydrophobicContact CD2-CD2 4.22Å; S205-L292 WeakPolarHBondContact OG-CD1 3.46Å; I208-L292 HydrophobicContact CD1-CD1 3.27Å; I208-L292 HydrophobicContact CD1-CD2 3.61Å; I208-L292 HydrophobicContact CD1-CG 3.96Å; I208-L292 HydrophobicContact CG1-CD1 3.63Å; L276-L292 HydrophobicContact CB-CB 4.26Å; L276-L292 HydrophobicContact CD2-CB 3.97Å; L276-L292 HydrophobicContact CD2-CD2 3.75Å; L276-L292 HydrophobicContact CG-CB 3.98Å; L276-L292 HydrophobicContact CG-CD2 4.39Å; L276-L292 PolarHBondContact O-N 3Å
293V92.6Very high84.1Confident42 Ų4274 Ų7426%0.25543%0.426SS..EExtended strand (participates in β ladder)trans-141.2134.5176.6-173.50000107.4M273 L275 L276M273-V293 HydrophobicContact CB-CG1 4.44Å; L275-V293 CarbonylContact C-O 3.57Å; L275-V293 WeakPolarHBondContact CA-O 3.4Å; L276-V293 HydrophobicContact CB-CB 3.95Å; L276-V293 HydrophobicContact CB-CG2 4.11Å; L276-V293 PolarHBondContact N-O 3.4Å; L276-V293 PolarHBondContact O-N 3.37Å
294G90.1Very high83.9Confident34 Ų3470.8 Ų70.835%0.35140%0.404SS..SBendtrans88.4-175.2-177.300000113K274 E298K274-G294 WeakPolarHBondContact O-CA 3.27Å; K274-G294 PolarHBondContact O-N 3.4Å; G294-E298 WeakPolarHBondContact CA-OE2 3.35Å
295D89.3Confident84Confident70 Ų7068.3 Ų68.337%0.37438%0.381SS..  trans-131.7-179.8-177.765.99.9000111.6Q297 E298 Y299D295-Q297 PolarHBondContact O-N 3.25Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.15Å; D295-Q297 PolarHBondContact OD1-N 3.2Å; D295-E298 PolarHBondContact O-N 3.44Å; D295-E298 WeakPolarHBondContact OD1-CB 3.36Å; D295-E298 WeakPolarHBondContact OD1-CG 3.47Å; D295-E298 PolarHBondContact OD1-N 2.95Å; D295-Y299 WeakPolarHBondContact O-CB 3.45Å; D295-Y299 PolarHBondContact O-N 2.85Å
296E87.9Confident84.3Confident98 Ų9865.9 Ų65.946%0.45836%0.356SS..Hα-helixtrans-63.9-27177.7-159.5-167.3155.200112.4F291 K300F291-E296 HydrophobicContact CE2-CB 4.26Å; F291-E296 HydrophobicContact CZ-CB 4.04Å; F291-E296 HydrophobicContact CZ-CG 4.23Å; E296-K300 VanDerWaalsContact O-CG 3.32Å; E296-K300 WeakPolarHBondContact O-CG 3.44Å; E296-K300 PolarHBondContact O-N 2.78Å; E296-K300 WeakPolarHBondContact OE1-CE 3.36Å; E296-K300 IonicContact OE1-NZ 3.91Å; E296-K300 PolarHBondContact OE1-NZ 2.9Å
297Q86.3Confident84.2Confident145 Ų14562.9 Ų62.968%0.67834%0.338SS*.Hα-helixtrans-73.8-46.2179.1-61.2-173.615.900111.1D295 Y299 K300 V301D295-Q297 PolarHBondContact O-N 3.25Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.15Å; D295-Q297 PolarHBondContact OD1-N 3.2Å; Q297-Y299 PolarHBondContact O-N 3.28Å; Q297-K300 PolarHBondContact O-N 2.83Å; Q297-K300 VanDerWaalsContact O-N 3.1Å; Q297-V301 WeakPolarHBondContact O-CB 3.41Å; Q297-V301 VanDerWaalsContact O-CG2 3.27Å; Q297-V301 WeakPolarHBondContact O-CG2 3.33Å; Q297-V301 PolarHBondContact O-N 2.8Å
298E82.7Confident84.1Confident70 Ų7065.2 Ų65.233%0.32735%0.346SS..Hα-helixtrans-60.2-38.2172.3-72.7-171.6157.300110.7G294 D295 V301 G302G294-E298 WeakPolarHBondContact CA-OE2 3.35Å; D295-E298 PolarHBondContact O-N 3.44Å; D295-E298 WeakPolarHBondContact OD1-CB 3.36Å; D295-E298 WeakPolarHBondContact OD1-CG 3.47Å; D295-E298 PolarHBondContact OD1-N 2.95Å; E298-V301 PolarHBondContact O-N 3.45Å; E298-G302 PolarHBondContact O-N 3.48Å
299Y84.7Confident83.9Confident18 Ų1862.5 Ų62.57%0.07133%0.334CS..Hα-helixtrans-63-41.5171.8-176.9-82.3000113L275 A277 R289 F291 D295 Q297 G303 R310L275-Y299 HydrophobicContact CD1-CD2 4.36Å; L275-Y299 HydrophobicContact CD2-CD2 3.87Å; L275-Y299 HydrophobicContact CD2-CG 4.41Å; A277-Y299 HydrophobicContact CB-CD2 4.08Å; A277-Y299 HydrophobicContact CB-CE2 4.46Å; R289-Y299 VanDerWaalsContact NH1-CD1 3.34Å; R289-Y299 PolarHBondContact NH2-OH 3.48Å; F291-Y299 HydrophobicContact CE1-CD2 4.05Å; F291-Y299 HydrophobicContact CE1-CG 4.02Å; F291-Y299 HydrophobicContact CZ-CG 4.4Å; D295-Y299 WeakPolarHBondContact O-CB 3.45Å; D295-Y299 PolarHBondContact O-N 2.85Å; Q297-Y299 PolarHBondContact O-N 3.28Å; Y299-G303 WeakPolarHBondContact O-CA 3.37Å; Y299-G303 PolarHBondContact O-N 3.44Å; Y299-R310 PolarHBondContact OH-NE 2.84Å; Y299-R310 PolarHBondContact OH-NH2 2.84Å
300K83.9Confident83.6Confident135 Ų13560.7 Ų60.759%0.58733%0.327SS*.Hα-helixtrans-68.9-41.2175.9-76.6170.6-176.7167.20112.2E296 Q297 G303E296-K300 VanDerWaalsContact O-CG 3.32Å; E296-K300 WeakPolarHBondContact O-CG 3.44Å; E296-K300 PolarHBondContact O-N 2.78Å; E296-K300 WeakPolarHBondContact OE1-CE 3.36Å; E296-K300 IonicContact OE1-NZ 3.91Å; E296-K300 PolarHBondContact OE1-NZ 2.9Å; Q297-K300 PolarHBondContact O-N 2.83Å; Q297-K300 VanDerWaalsContact O-N 3.1Å; K300-G303 WeakPolarHBondContact O-CA 3.45Å; K300-G303 PolarHBondContact O-N 3.49Å
301V74.8Confident83.4Confident123 Ų12364.9 Ų64.975%0.74535%0.35SS*.Hα-helixtrans-70-45-179.7173.40000111.5Q297 E298Q297-V301 WeakPolarHBondContact O-CB 3.41Å; Q297-V301 VanDerWaalsContact O-CG2 3.27Å; Q297-V301 WeakPolarHBondContact O-CG2 3.33Å; Q297-V301 PolarHBondContact O-N 2.8Å; E298-V301 PolarHBondContact O-N 3.45Å
302G65.5Low83.3Confident3 Ų365 Ų653%0.03136%0.358CS..Hα-helixtrans-71.9-20.9170.100000112.6E298 G304 L305 I306E298-G302 PolarHBondContact O-N 3.48Å; G302-G304 PolarHBondContact O-N 2.87Å; G302-L305 PolarHBondContact O-N 3.23Å; G302-L305 VanDerWaalsContact O-N 3.12Å; G302-I306 WeakPolarHBondContact O-CG1 3.47Å; G302-I306 PolarHBondContact O-N 3.39Å
303G63.2Low83.1Confident10 Ų1062.9 Ų62.910%0.10335%0.347CS..Hα-helixtrans-58.9-27.9-175.700000113.9Y299 K300 L305 I306 S307Y299-G303 WeakPolarHBondContact O-CA 3.37Å; Y299-G303 PolarHBondContact O-N 3.44Å; K300-G303 WeakPolarHBondContact O-CA 3.45Å; K300-G303 PolarHBondContact O-N 3.49Å; G303-L305 VanDerWaalsContact C-N 3.28Å; G303-L305 PolarHBondContact O-N 3.43Å; G303-I306 PolarHBondContact O-N 2.86Å; G303-S307 WeakPolarHBondContact O-CB 3.36Å; G303-S307 PolarHBondContact O-N 3.49Å; G303-S307 PolarHBondContact O-OG 2.88Å
304G76.4Confident82.9Confident47 Ų4764.5 Ų64.549%0.48536%0.357SS..Hα-helixtrans-59-37.3175.200000113.3G302 S307 E308G302-G304 PolarHBondContact O-N 2.87Å; G304-S307 PolarHBondContact O-OG 3.2Å; G304-E308 WeakPolarHBondContact O-CG 3.39Å
305L79.4Confident82.9Confident62 Ų6270.7 Ų70.733%0.32537%0.374SS..Hα-helixtrans-92.9-27.3176.6-72.1172.3000112.8V225 F246 G302 G303 L309V225-L305 HydrophobicContact CG1-CD1 4.5Å; V225-L305 HydrophobicContact CG1-CD2 4.34Å; F246-L305 HydrophobicContact CD2-CB 4.22Å; F246-L305 HydrophobicContact CD2-CD1 3.66Å; F246-L305 HydrophobicContact CE2-CD1 3.47Å; F246-L305 VanDerWaalsContact CE2-CD1 3.47Å; F246-L305 HydrophobicContact CG-CB 4.25Å; F246-L305 HydrophobicContact CG-CD1 4.49Å; F246-L305 HydrophobicContact CZ-CD1 4.16Å; G302-L305 PolarHBondContact O-N 3.23Å; G302-L305 VanDerWaalsContact O-N 3.12Å; G303-L305 VanDerWaalsContact C-N 3.28Å; G303-L305 PolarHBondContact O-N 3.43Å; L305-L309 WeakPolarHBondContact O-CG 3.35Å
306I82.7Confident82.9Confident1 Ų169.1 Ų69.11%0.00537%0.371CS..Hα-helixtrans-74.3-40.1179.6-64.7167.7000110.7F246 I248 S261 L275 G302 G303 E308 L309 R310F246-I306 HydrophobicContact CB-CG1 4.33Å; F246-I306 HydrophobicContact CD1-CD1 4.01Å; F246-I306 HydrophobicContact CD1-CG1 3.83Å; F246-I306 HydrophobicContact CG-CG1 4.48Å; I248-I306 HydrophobicContact CD1-CG2 4.21Å; S261-I306 WeakPolarHBondContact OG-CG2 3.22Å; L275-I306 HydrophobicContact CD2-CD1 3.68Å; G302-I306 WeakPolarHBondContact O-CG1 3.47Å; G302-I306 PolarHBondContact O-N 3.39Å; G303-I306 PolarHBondContact O-N 2.86Å; I306-E308 VanDerWaalsContact C-N 3.34Å; I306-E308 PolarHBondContact O-N 2.86Å; I306-L309 PolarHBondContact O-N 3.45Å; I306-R310 PolarHBondContact O-N 2.82Å
307S82.6Confident82.8Confident55 Ų5567.3 Ų67.339%0.38536%0.363SS..Hα-helixtrans-59.9-43.517753.70000111.8G303 G304 L309 R310G303-S307 WeakPolarHBondContact O-CB 3.36Å; G303-S307 PolarHBondContact O-N 3.49Å; G303-S307 PolarHBondContact O-OG 2.88Å; G304-S307 PolarHBondContact O-OG 3.2Å; S307-L309 PolarHBondContact O-N 2.96Å; S307-L309 VanDerWaalsContact O-N 3.13Å; S307-R310 WeakPolarHBondContact O-CB 3.36Å; S307-R310 PolarHBondContact O-N 3.11Å
308E84.2Confident82.9Confident139 Ų13962.9 Ų62.965%0.6535%0.351SS*.Hα-helixtrans-59.1-24.5174.5-63.9-70.5162.100113.5G304 I306 P312G304-E308 WeakPolarHBondContact O-CG 3.39Å; I306-E308 VanDerWaalsContact C-N 3.34Å; I306-E308 PolarHBondContact O-N 2.86Å; E308-P312 VanDerWaalsContact O-CD 3.3Å; E308-P312 WeakPolarHBondContact O-CD 3.48Å
309L85.6Confident83.2Confident21 Ų2161 Ų6111%0.1135%0.347CS..Hα-helixtrans-92.6-11.3177.5-61171.1000113.6A223 V225 I248 L305 I306 S307 I313A223-L309 HydrophobicContact CB-CB 4.48Å; A223-L309 HydrophobicContact CB-CD2 4.14Å; V225-L309 HydrophobicContact CB-CD1 4.12Å; V225-L309 HydrophobicContact CG2-CD1 3.76Å; V225-L309 HydrophobicContact CG2-CD2 3.52Å; V225-L309 HydrophobicContact CG2-CG 4.01Å; I248-L309 HydrophobicContact CG2-CB 3.5Å; I248-L309 VanDerWaalsContact CG2-CB 3.5Å; I248-L309 HydrophobicContact CG2-CD1 4.18Å; I248-L309 HydrophobicContact CG2-CG 4.45Å; L305-L309 WeakPolarHBondContact O-CG 3.35Å; I306-L309 PolarHBondContact O-N 3.45Å; S307-L309 PolarHBondContact O-N 2.96Å; S307-L309 VanDerWaalsContact O-N 3.13Å; L309-I313 WeakPolarHBondContact O-CB 3.32Å; L309-I313 VanDerWaalsContact O-CG1 3.25Å; L309-I313 WeakPolarHBondContact O-CG1 3.29Å; L309-I313 PolarHBondContact O-N 3.37Å
310R86.2Confident83.4Confident41 Ų4163.3 Ų63.316%0.15536%0.359CS..Hα-helixtrans-67.3-55.1179.6-75.2-178.5174.2-110.3-28.4111.3I248 L259 S261 D279 Y299 I306 S307 I313 V314I248-R310 HydrophobicContact CD1-CB 4.46Å; I248-R310 HydrophobicContact CD1-CG 3.58Å; L259-R310 HydrophobicContact CD2-CG 4.13Å; S261-R310 PolarHBondContact OG-NH2 3.47Å; D279-R310 VanDerWaalsContact CG-NH2 3.33Å; D279-R310 IonicContact OD1-NH1 2.74Å; D279-R310 IonicContact OD1-NH2 2.9Å; D279-R310 IonicContact OD2-CZ 2.82Å; D279-R310 IonicContact OD2-NH1 3.9Å; D279-R310 IonicContact OD2-NH2 3.45Å; D279-R310 PolarHBondContact OD2-NH2 2.79Å; Y299-R310 PolarHBondContact OH-NE 2.84Å; Y299-R310 PolarHBondContact OH-NH2 2.84Å; I306-R310 PolarHBondContact O-N 2.82Å; S307-R310 WeakPolarHBondContact O-CB 3.36Å; S307-R310 PolarHBondContact O-N 3.11Å; R310-I313 PolarHBondContact O-N 2.8Å; R310-V314 WeakPolarHBondContact O-CG2 3.48Å; R310-V314 PolarHBondContact O-N 3.43Å
311D88Confident83.6Confident124 Ų12464 Ų6466%0.66336%0.362SS*.Hα-helixtrans-61.6-44.6-171.4-55.4-17.5000112.6I313 V314 K315D311-I313 VanDerWaalsContact C-N 3.27Å; D311-I313 PolarHBondContact O-N 3.39Å; D311-V314 PolarHBondContact O-N 3.22Å; D311-K315 VanDerWaalsContact O-CB 3.31Å; D311-K315 WeakPolarHBondContact O-CB 3.2Å; D311-K315 PolarHBondContact O-N 3.42Å
312P90.6Very high84.2Confident77 Ų7764.3 Ų64.350%0.536%0.355SS..Hα-helixtrans-60.6-36.6174.9-24.335.6000113.1E308 A316E308-P312 VanDerWaalsContact O-CD 3.3Å; E308-P312 WeakPolarHBondContact O-CD 3.48Å; P312-A316 VanDerWaalsContact O-CB 3.3Å; P312-A316 WeakPolarHBondContact O-CB 3.41Å; P312-A316 PolarHBondContact O-N 3.29Å
313I89.3Confident85.3Confident6 Ų670.1 Ų70.13%0.03138%0.38CS..Hα-helixtrans-74.2-42.9-179.7-73-74.2000111.6V221 A223 I248 P250 L259 L309 R310 D311 K315 A316 M317V221-I313 HydrophobicContact CG1-CD1 3.6Å; A223-I313 HydrophobicContact CB-CD1 3.55Å; A223-I313 HydrophobicContact CB-CG1 3.63Å; I248-I313 HydrophobicContact CG2-CG1 3.91Å; P250-I313 HydrophobicContact CG-CG2 4.24Å; L259-I313 HydrophobicContact CD1-CG2 3.87Å; L309-I313 WeakPolarHBondContact O-CB 3.32Å; L309-I313 VanDerWaalsContact O-CG1 3.25Å; L309-I313 WeakPolarHBondContact O-CG1 3.29Å; L309-I313 PolarHBondContact O-N 3.37Å; R310-I313 PolarHBondContact O-N 2.8Å; D311-I313 VanDerWaalsContact C-N 3.27Å; D311-I313 PolarHBondContact O-N 3.39Å; I313-K315 VanDerWaalsContact C-N 3.28Å; I313-K315 PolarHBondContact O-N 3.49Å; I313-A316 PolarHBondContact O-N 2.83Å; I313-M317 HydrophobicContact CG2-CE 4.38Å; I313-M317 WeakPolarHBondContact O-CG 3.27Å; I313-M317 PolarHBondContact O-N 3.4Å
314V87.5Confident86.7Confident76 Ų7673.7 Ų73.746%0.46140%0.396SS..Hα-helixtrans-62.3-41.3176.2175.40000110.4R310 D311 M317 A318R310-V314 WeakPolarHBondContact O-CG2 3.48Å; R310-V314 PolarHBondContact O-N 3.43Å; D311-V314 PolarHBondContact O-N 3.22Å; V314-M317 HydrophobicContact CB-CE 4.26Å; V314-M317 HydrophobicContact CG2-CE 3.92Å; V314-M317 PolarHBondContact O-N 3.09Å; V314-A318 PolarHBondContact O-N 2.77Å
315K90.2Very high87.4Confident163 Ų16378.5 Ų78.571%0.70940%0.401SS*.Hα-helixtrans-62.8-42.6172.9-172.8175.3-178.1176.40112.4D311 I313 A318 A319D311-K315 VanDerWaalsContact O-CB 3.31Å; D311-K315 WeakPolarHBondContact O-CB 3.2Å; D311-K315 PolarHBondContact O-N 3.42Å; I313-K315 VanDerWaalsContact C-N 3.28Å; I313-K315 PolarHBondContact O-N 3.49Å; K315-A318 PolarHBondContact O-N 2.95Å; K315-A319 PolarHBondContact O-N 2.88Å
316A89.4Confident88Confident38 Ų3878.3 Ų78.331%0.31440%0.4SS..Hα-helixtrans-64.2-40.8177.300000112.3V221 P312 I313 A318 A319 E320V221-A316 HydrophobicContact CG1-CB 3.96Å; P312-A316 VanDerWaalsContact O-CB 3.3Å; P312-A316 WeakPolarHBondContact O-CB 3.41Å; P312-A316 PolarHBondContact O-N 3.29Å; I313-A316 PolarHBondContact O-N 2.83Å; A316-A318 VanDerWaalsContact C-N 3.34Å; A316-A318 PolarHBondContact O-N 2.96Å; A316-A319 PolarHBondContact O-N 2.82Å; A316-E320 WeakPolarHBondContact O-CB 3.25Å; A316-E320 PolarHBondContact O-N 3.38Å
317M85.9Confident88.5Confident60 Ų6082.2 Ų82.230%0.29642%0.421SS..Hα-helixtrans-63.9-38.1174.8-72-170.2-64.900112.7P250 L259 I313 V314 K321P250-M317 HydrophobicContact CB-CG 4.36Å; P250-M317 HydrophobicContact CB-SD 3.49Å; P250-M317 WeakPolarHBondContact CB-SD 3.17Å; P250-M317 HydrophobicContact CG-CG 3.69Å; P250-M317 HydrophobicContact CG-SD 3.37Å; P250-M317 WeakPolarHBondContact CG-SD 3.31Å; L259-M317 HydrophobicContact CD1-CE 3.92Å; L259-M317 HydrophobicContact CD1-SD 4.39Å; I313-M317 HydrophobicContact CG2-CE 4.38Å; I313-M317 WeakPolarHBondContact O-CG 3.27Å; I313-M317 PolarHBondContact O-N 3.4Å; V314-M317 HydrophobicContact CB-CE 4.26Å; V314-M317 HydrophobicContact CG2-CE 3.92Å; V314-M317 PolarHBondContact O-N 3.09Å; M317-K321 PolarHBondContact O-N 3.02Å
318A88.5Confident89Confident51 Ų5185.9 Ų85.942%0.42143%0.432SS..Hα-helixtrans-65.6-44.117600000110.8V314 K315 A316 K321 E322V314-A318 PolarHBondContact O-N 2.77Å; K315-A318 PolarHBondContact O-N 2.95Å; A316-A318 VanDerWaalsContact C-N 3.34Å; A316-A318 PolarHBondContact O-N 2.96Å; A318-K321 PolarHBondContact O-N 3.49Å; A318-E322 WeakPolarHBondContact O-CG 3.17Å; A318-E322 PolarHBondContact O-N 2.88Å; A318-E322 VanDerWaalsContact O-N 3.09Å
319A89.8Confident89.5Confident30 Ų3084.6 Ų84.625%0.24842%0.421CS..Hα-helixtrans-64-42.6176.400000112.4K315 A316 K321 E322 F323K315-A319 PolarHBondContact O-N 2.88Å; A316-A319 PolarHBondContact O-N 2.82Å; A319-K321 VanDerWaalsContact C-N 3.29Å; A319-K321 PolarHBondContact O-N 2.93Å; A319-E322 WeakPolarHBondContact O-CB 3.34Å; A319-E322 PolarHBondContact O-N 2.96Å; A319-F323 HydrophobicContact CB-CD2 4.44Å; A319-F323 HydrophobicContact CB-CE2 4.07Å; A319-F323 WeakPolarHBondContact O-CD2 3.44Å; A319-F323 PolarHBondContact O-N 2.68Å
320E87.5Confident89.9Confident67 Ų6788.2 Ų88.231%0.31344%0.438SS..Hα-helixtrans-54.8-45.4175.2-173.1177.5-166.600111.1V221 A316 E322 F323 D324V221-E320 VanDerWaalsContact CG2-OE2 3.32Å; V221-E320 WeakPolarHBondContact CG2-OE2 3.22Å; A316-E320 WeakPolarHBondContact O-CB 3.25Å; A316-E320 PolarHBondContact O-N 3.38Å; E320-E322 VanDerWaalsContact C-N 3.33Å; E320-E322 PolarHBondContact O-N 3.31Å; E320-F323 PolarHBondContact O-N 2.76Å; E320-D324 VanDerWaalsContact O-CG 3.26Å; E320-D324 PolarHBondContact O-N 2.92Å
321K87.9Confident90.3Very high151 Ų15191 Ų9166%0.65746%0.456SS*.Hα-helixtrans-66.2-33.2176.5-169.6-176.4177.4-167.30113.4M317 A318 A319 Y325M317-K321 PolarHBondContact O-N 3.02Å; A318-K321 PolarHBondContact O-N 3.49Å; A319-K321 VanDerWaalsContact C-N 3.29Å; A319-K321 PolarHBondContact O-N 2.93Å; K321-Y325 PolarHBondContact O-N 3.29Å
322E88.8Confident90.7Very high129 Ų12987.8 Ų87.860%0.60345%0.446SS*.Hα-helixtrans-68.9-39.5174.8-72.6172.9-175.400111.1A318 A319 E320 Y325 L326A318-E322 WeakPolarHBondContact O-CG 3.17Å; A318-E322 PolarHBondContact O-N 2.88Å; A318-E322 VanDerWaalsContact O-N 3.09Å; A319-E322 WeakPolarHBondContact O-CB 3.34Å; A319-E322 PolarHBondContact O-N 2.96Å; E320-E322 VanDerWaalsContact C-N 3.33Å; E320-E322 PolarHBondContact O-N 3.31Å; E322-Y325 PolarHBondContact O-N 3.23Å; E322-L326 VanDerWaalsContact O-CG 3.29Å; E322-L326 WeakPolarHBondContact O-CG 3.35Å; E322-L326 PolarHBondContact O-N 3.1Å; E322-L326 VanDerWaalsContact O-N 3.08Å
323F88.2Confident90.9Very high124 Ų12488.2 Ų88.254%0.54444%0.442SS..Hα-helixtrans-66.1-45.4174.3-68.7-60.3000111.8A319 E320 Y325 L326 D327A319-F323 HydrophobicContact CB-CD2 4.44Å; A319-F323 HydrophobicContact CB-CE2 4.07Å; A319-F323 WeakPolarHBondContact O-CD2 3.44Å; A319-F323 PolarHBondContact O-N 2.68Å; E320-F323 PolarHBondContact O-N 2.76Å; F323-Y325 PolarHBondContact O-N 3.01Å; F323-L326 PolarHBondContact O-N 2.86Å; F323-D327 PolarHBondContact O-N 2.89Å
324D91.1Very high91.2Very high85 Ų8591.8 Ų91.846%0.45546%0.461SS..Hα-helixtrans-54.9-42176.2-66.5-19.8000111.7E320 E328E320-D324 VanDerWaalsContact O-CG 3.26Å; E320-D324 PolarHBondContact O-N 2.92Å; D324-E328 WeakPolarHBondContact O-CB 3.16Å; D324-E328 VanDerWaalsContact O-CG 3.31Å; D324-E328 WeakPolarHBondContact O-CG 3.24Å; D324-E328 PolarHBondContact O-N 3.08Å
325Y91.6Very high91.6Very high148 Ų14892.9 Ų92.958%0.5846%0.461SS*.Hα-helixtrans-70.1-34.8178179.3-100.6000113.2K321 E322 F323 R329K321-Y325 PolarHBondContact O-N 3.29Å; E322-Y325 PolarHBondContact O-N 3.23Å; F323-Y325 PolarHBondContact O-N 3.01Å; Y325-R329 WeakPolarHBondContact O-CB 3.37Å; Y325-R329 PolarHBondContact O-N 2.73Å; Y325-R329 VanDerWaalsContact O-N 3.16Å
326L91.9Very high91.8Very high58 Ų5887.5 Ų87.530%0.30445%0.447SS..Hα-helixtrans-69.2-44.8175.6-72.7171.1000110.7E322 F323 R329 E330E322-L326 VanDerWaalsContact O-CG 3.29Å; E322-L326 WeakPolarHBondContact O-CG 3.35Å; E322-L326 PolarHBondContact O-N 3.1Å; E322-L326 VanDerWaalsContact O-N 3.08Å; F323-L326 PolarHBondContact O-N 2.86Å; L326-R329 PolarHBondContact O-N 2.97Å; L326-R329 VanDerWaalsContact O-N 3.15Å; L326-E330 WeakPolarHBondContact O-CB 3.29Å; L326-E330 WeakPolarHBondContact O-CG 3.22Å; L326-E330 PolarHBondContact O-N 3.44Å
327D93.3Very high92.1Very high83 Ų8391.1 Ų91.144%0.44445%0.452SS..Hα-helixtrans-60.1-46.9176.7-68.9-2.9000110.3F323 R329 E330 D331F323-D327 PolarHBondContact O-N 2.89Å; D327-R329 VanDerWaalsContact C-N 3.27Å; D327-R329 PolarHBondContact O-N 2.96Å; D327-E330 PolarHBondContact O-N 3.35Å; D327-D331 WeakPolarHBondContact O-CB 3.25Å; D327-D331 PolarHBondContact O-N 3.25Å
328E93.9Very high92.5Very high133 Ų13395 Ų9562%0.62147%0.47SS*.Hα-helixtrans-58.4-37.1175.1-77.8176.5-177.400112.9D324 A332D324-E328 WeakPolarHBondContact O-CB 3.16Å; D324-E328 VanDerWaalsContact O-CG 3.31Å; D324-E328 WeakPolarHBondContact O-CG 3.24Å; D324-E328 PolarHBondContact O-N 3.08Å; E328-A332 WeakPolarHBondContact O-CB 3.1Å; E328-A332 PolarHBondContact O-N 3.41Å; E328-A332 VanDerWaalsContact O-N 3.12Å
329R93.8Very high92.8Very high111 Ų11199.6 Ų99.642%0.41948%0.476SS..Hα-helixtrans-74.4-42177.8-171.3-172.967.5-169.5-3.3111.5Y325 L326 D327 A332 E333Y325-R329 WeakPolarHBondContact O-CB 3.37Å; Y325-R329 PolarHBondContact O-N 2.73Å; Y325-R329 VanDerWaalsContact O-N 3.16Å; L326-R329 PolarHBondContact O-N 2.97Å; L326-R329 VanDerWaalsContact O-N 3.15Å; D327-R329 VanDerWaalsContact C-N 3.27Å; D327-R329 PolarHBondContact O-N 2.96Å; R329-A332 PolarHBondContact O-N 3.07Å; R329-E333 IonicContact NE-OE1 3.66Å; R329-E333 WeakPolarHBondContact O-CB 3.29Å; R329-E333 WeakPolarHBondContact O-CG 3.5Å; R329-E333 PolarHBondContact O-N 3.23Å
330E94Very high93.1Very high97 Ų97104 Ų10445%0.45349%0.492SS..Hα-helixtrans-62.4-45.2176.8-74.9-179.4-171.300110.6L326 D327 A332 E333 D334L326-E330 WeakPolarHBondContact O-CB 3.29Å; L326-E330 WeakPolarHBondContact O-CG 3.22Å; L326-E330 PolarHBondContact O-N 3.44Å; D327-E330 PolarHBondContact O-N 3.35Å; E330-A332 PolarHBondContact O-N 2.88Å; E330-E333 PolarHBondContact O-N 3.41Å; E330-D334 WeakPolarHBondContact O-CB 3.2Å; E330-D334 PolarHBondContact O-N 2.8Å
331D95.7Very high93.5Very high101 Ų101104.7 Ų104.754%0.5450%0.495SS..Hα-helixtrans-59.3-44.6174.4-74.6-16.1000111.3D327 E333 D334 E335D327-D331 WeakPolarHBondContact O-CB 3.25Å; D327-D331 PolarHBondContact O-N 3.25Å; D331-E333 PolarHBondContact O-N 3.33Å; D331-D334 PolarHBondContact O-N 3.29Å; D331-E335 WeakPolarHBondContact O-CB 3.3Å; D331-E335 WeakPolarHBondContact O-CG 3.39Å; D331-E335 PolarHBondContact O-N 3.18Å
332A95.2Very high93.9Very high56 Ų5699.5 Ų99.546%0.46348%0.48SS..Hα-helixtrans-66.5-36.2177.700000113.2E328 R329 E330 A336E328-A332 WeakPolarHBondContact O-CB 3.1Å; E328-A332 PolarHBondContact O-N 3.41Å; E328-A332 VanDerWaalsContact O-N 3.12Å; R329-A332 PolarHBondContact O-N 3.07Å; E330-A332 PolarHBondContact O-N 2.88Å; A332-A336 WeakPolarHBondContact O-CB 3.35Å; A332-A336 PolarHBondContact O-N 2.96Å
333E95.3Very high94.3Very high85 Ų8598.7 Ų98.740%0.39748%0.476SS..Hα-helixtrans-69.8-40.6174.4-75.4178.4-159.500111.7R329 E330 D331 A336 R337R329-E333 IonicContact NE-OE1 3.66Å; R329-E333 WeakPolarHBondContact O-CB 3.29Å; R329-E333 WeakPolarHBondContact O-CG 3.5Å; R329-E333 PolarHBondContact O-N 3.23Å; E330-E333 PolarHBondContact O-N 3.41Å; D331-E333 PolarHBondContact O-N 3.33Å; E333-A336 PolarHBondContact O-N 2.83Å; E333-R337 WeakPolarHBondContact O-CB 3.37Å; E333-R337 WeakPolarHBondContact O-CG 3.31Å; E333-R337 PolarHBondContact O-N 3.41Å; E333-R337 IonicContact OE2-NH1 3.89Å
334D95.4Very high94.7Very high82 Ų8297.9 Ų97.944%0.43947%0.47SS..Hα-helixtrans-63.5-44.6174.2-85.6-30.4000111.4E330 D331 A336 R337 E338E330-D334 WeakPolarHBondContact O-CB 3.2Å; E330-D334 PolarHBondContact O-N 2.8Å; D331-D334 PolarHBondContact O-N 3.29Å; D334-A336 VanDerWaalsContact C-N 3.32Å; D334-A336 PolarHBondContact O-N 2.85Å; D334-R337 PolarHBondContact O-N 3.42Å; D334-R337 IonicContact OD1-CZ 3.55Å; D334-R337 VanDerWaalsContact OD1-CZ 3.32Å; D334-R337 IonicContact OD1-NE 3.21Å; D334-R337 PolarHBondContact OD1-NE 3.48Å; D334-R337 IonicContact OD1-NH2 2.69Å; D334-R337 PolarHBondContact OD1-NH2 2.83Å; D334-R337 IonicContact OD2-NH2 2.89Å; D334-E338 WeakPolarHBondContact O-CB 3.26Å; D334-E338 PolarHBondContact O-N 2.86Å
335E95.2Very high94.9Very high99 Ų99100.6 Ų100.646%0.46347%0.474SS..Hα-helixtrans-61.4-39.4173.5-76.4-174.7-166.700112.1D331 R339D331-E335 WeakPolarHBondContact O-CB 3.3Å; D331-E335 WeakPolarHBondContact O-CG 3.39Å; D331-E335 PolarHBondContact O-N 3.18Å; E335-R339 WeakPolarHBondContact O-CB 3.39Å; E335-R339 WeakPolarHBondContact O-CG 3.01Å; E335-R339 PolarHBondContact O-N 2.9Å; E335-R339 IonicContact OE2-CZ 3.7Å; E335-R339 IonicContact OE2-NH2 3.32Å; E335-R339 PolarHBondContact OE2-NH2 3.44Å
336A95.7Very high95.1Very high49 Ų4998.9 Ų98.941%0.40547%0.471SS..Hα-helixtrans-67.2-43177.100000111.7A332 E333 D334 R339 E340A332-A336 WeakPolarHBondContact O-CB 3.35Å; A332-A336 PolarHBondContact O-N 2.96Å; E333-A336 PolarHBondContact O-N 2.83Å; D334-A336 VanDerWaalsContact C-N 3.32Å; D334-A336 PolarHBondContact O-N 2.85Å; A336-R339 PolarHBondContact O-N 2.94Å; A336-E340 PolarHBondContact O-N 2.89Å
337R94.7Very high95.3Very high115 Ų115102.2 Ų102.243%0.43449%0.485SS..Hα-helixtrans-61.1-45.3174.1-76.2-172-73.3-99.69.9111.2E333 D334 R339 E340 E341E333-R337 WeakPolarHBondContact O-CB 3.37Å; E333-R337 WeakPolarHBondContact O-CG 3.31Å; E333-R337 PolarHBondContact O-N 3.41Å; E333-R337 IonicContact OE2-NH1 3.89Å; D334-R337 PolarHBondContact O-N 3.42Å; D334-R337 IonicContact OD1-CZ 3.55Å; D334-R337 VanDerWaalsContact OD1-CZ 3.32Å; D334-R337 IonicContact OD1-NE 3.21Å; D334-R337 PolarHBondContact OD1-NE 3.48Å; D334-R337 IonicContact OD1-NH2 2.69Å; D334-R337 PolarHBondContact OD1-NH2 2.83Å; D334-R337 IonicContact OD2-NH2 2.89Å; R337-R339 VanDerWaalsContact C-N 3.33Å; R337-R339 PolarHBondContact O-N 2.87Å; R337-E340 PolarHBondContact O-N 3.31Å; R337-E341 WeakPolarHBondContact O-CB 3.45Å; R337-E341 WeakPolarHBondContact O-CG 3.42Å; R337-E341 PolarHBondContact O-N 3.48Å
338E95.1Very high95.4Very high141 Ų141103.7 Ų103.766%0.65949%0.489SS*.Hα-helixtrans-63.2-39.3178.8-171.6174-168.500111.6D334 A342D334-E338 WeakPolarHBondContact O-CB 3.26Å; D334-E338 PolarHBondContact O-N 2.86Å; E338-A342 VanDerWaalsContact O-CB 3.27Å; E338-A342 WeakPolarHBondContact O-CB 3.09Å; E338-A342 PolarHBondContact O-N 3.03Å
339R95.1Very high95.5Very high148 Ų148103.5 Ų103.556%0.55849%0.488SS*.Hα-helixtrans-64.9-46.2173.6-70.9173-150.6165.37.2112.2E335 A336 R337 E341 A342 E343E335-R339 WeakPolarHBondContact O-CB 3.39Å; E335-R339 WeakPolarHBondContact O-CG 3.01Å; E335-R339 PolarHBondContact O-N 2.9Å; E335-R339 IonicContact OE2-CZ 3.7Å; E335-R339 IonicContact OE2-NH2 3.32Å; E335-R339 PolarHBondContact OE2-NH2 3.44Å; A336-R339 PolarHBondContact O-N 2.94Å; R337-R339 VanDerWaalsContact C-N 3.33Å; R337-R339 PolarHBondContact O-N 2.87Å; R339-E341 VanDerWaalsContact C-N 3.34Å; R339-E341 PolarHBondContact O-N 2.82Å; R339-A342 PolarHBondContact O-N 3.23Å; R339-E343 WeakPolarHBondContact O-CB 3.4Å; R339-E343 WeakPolarHBondContact O-CG 3.31Å; R339-E343 PolarHBondContact O-N 3.26Å
340E95.8Very high95.6Very high123 Ų123104.4 Ų104.458%0.57550%0.497SS*.Hα-helixtrans-63.1-41.2177.6-172.6-174.5168.200111.4A336 R337 E343 R344A336-E340 PolarHBondContact O-N 2.89Å; R337-E340 PolarHBondContact O-N 3.31Å; E340-E343 PolarHBondContact O-N 2.73Å; E340-R344 VanDerWaalsContact O-CB 3.27Å; E340-R344 WeakPolarHBondContact O-CB 3.41Å; E340-R344 PolarHBondContact O-N 2.88Å
341E96.4Very high95.6Very high80 Ų80101.9 Ų101.937%0.37449%0.493SS..Hα-helixtrans-65.2-39.2174.3-72.7-160.6179.700112.4R337 R339 R345R337-E341 WeakPolarHBondContact O-CB 3.45Å; R337-E341 WeakPolarHBondContact O-CG 3.42Å; R337-E341 PolarHBondContact O-N 3.48Å; R339-E341 VanDerWaalsContact C-N 3.34Å; R339-E341 PolarHBondContact O-N 2.82Å; E341-R345 WeakPolarHBondContact O-CB 3.26Å; E341-R345 WeakPolarHBondContact O-CG 3.42Å; E341-R345 PolarHBondContact O-N 3.48Å; E341-R345 IonicContact OE2-NH2 3.51Å; E341-R345 PolarHBondContact OE2-NH2 2.94Å
342A96Very high95.7Very high43 Ų43101.7 Ų101.736%0.35549%0.489SS..Hα-helixtrans-66.6-43.8176.100000111.6E338 R339 R345 Q346E338-A342 VanDerWaalsContact O-CB 3.27Å; E338-A342 WeakPolarHBondContact O-CB 3.09Å; E338-A342 PolarHBondContact O-N 3.03Å; R339-A342 PolarHBondContact O-N 3.23Å; A342-R345 PolarHBondContact O-N 2.99Å; A342-Q346 WeakPolarHBondContact O-CB 3.37Å; A342-Q346 VanDerWaalsContact O-CG 3.31Å; A342-Q346 WeakPolarHBondContact O-CG 3.41Å; A342-Q346 PolarHBondContact O-N 3.44Å
343E96.5Very high95.7Very high112 Ų112101.5 Ų101.552%0.52349%0.487SS..Hα-helixtrans-63.7-42.5175.1-74.6177.8-171.800111.4R339 E340 Q346 Q347R339-E343 WeakPolarHBondContact O-CB 3.4Å; R339-E343 WeakPolarHBondContact O-CG 3.31Å; R339-E343 PolarHBondContact O-N 3.26Å; E340-E343 PolarHBondContact O-N 2.73Å; E343-Q346 PolarHBondContact O-N 3.06Å; E343-Q347 WeakPolarHBondContact O-CB 3.17Å; E343-Q347 WeakPolarHBondContact O-CG 3.31Å; E343-Q347 PolarHBondContact O-N 3.24Å
344R95.8Very high95.8Very high107 Ų107102.4 Ų102.440%0.40449%0.494SS..Hα-helixtrans-62.4-44.5175.6-175.1175.667.2-126.4-0.8111.4E340 Q346 Q347 E348E340-R344 VanDerWaalsContact O-CB 3.27Å; E340-R344 WeakPolarHBondContact O-CB 3.41Å; E340-R344 PolarHBondContact O-N 2.88Å; R344-Q346 VanDerWaalsContact C-N 3.33Å; R344-Q346 PolarHBondContact O-N 3.29Å; R344-Q347 PolarHBondContact O-N 2.89Å; R344-E348 HydrophobicContact CG-CG 4.48Å; R344-E348 WeakPolarHBondContact CG-OE1 3.43Å; R344-E348 WeakPolarHBondContact O-CB 3.25Å; R344-E348 VanDerWaalsContact O-CG 3.29Å; R344-E348 WeakPolarHBondContact O-CG 3.12Å; R344-E348 PolarHBondContact O-N 2.89Å
345R96.3Very high95.8Very high142 Ų142107 Ų10754%0.53651%0.505SS..Hα-helixtrans-61.1-42.5174.9-73.1173.4-162-174.511.3111.2E341 A342 E348 E349E341-R345 WeakPolarHBondContact O-CB 3.26Å; E341-R345 WeakPolarHBondContact O-CG 3.42Å; E341-R345 PolarHBondContact O-N 3.48Å; E341-R345 IonicContact OE2-NH2 3.51Å; E341-R345 PolarHBondContact OE2-NH2 2.94Å; A342-R345 PolarHBondContact O-N 2.99Å; R345-E348 PolarHBondContact O-N 3.26Å; R345-E349 WeakPolarHBondContact O-CB 3.44Å; R345-E349 VanDerWaalsContact O-CG 3.25Å; R345-E349 WeakPolarHBondContact O-CG 3.45Å; R345-E349 PolarHBondContact O-N 3.4Å
346Q95.5Very high95.8Very high112 Ų112108 Ų10852%0.52351%0.505SS..Hα-helixtrans-62.8-45.5175.7-75.7175.7-0.800112.1A342 E343 R344 E348 E349 E350A342-Q346 WeakPolarHBondContact O-CB 3.37Å; A342-Q346 VanDerWaalsContact O-CG 3.31Å; A342-Q346 WeakPolarHBondContact O-CG 3.41Å; A342-Q346 PolarHBondContact O-N 3.44Å; E343-Q346 PolarHBondContact O-N 3.06Å; R344-Q346 VanDerWaalsContact C-N 3.33Å; R344-Q346 PolarHBondContact O-N 3.29Å; Q346-E348 PolarHBondContact O-N 3.45Å; Q346-E349 PolarHBondContact O-N 2.8Å; Q346-E350 WeakPolarHBondContact O-CB 3.5Å; Q346-E350 WeakPolarHBondContact O-CG 3.37Å; Q346-E350 PolarHBondContact O-N 3.46Å
347Q95.6Very high95.8Very high127 Ų127111.1 Ų111.159%0.59351%0.511SS*.Hα-helixtrans-64.5-39.7177.6-72.6176.213.800112.2E343 R344 A351E343-Q347 WeakPolarHBondContact O-CB 3.17Å; E343-Q347 WeakPolarHBondContact O-CG 3.31Å; E343-Q347 PolarHBondContact O-N 3.24Å; R344-Q347 PolarHBondContact O-N 2.89Å; Q347-A351 WeakPolarHBondContact O-CB 3.4Å; Q347-A351 PolarHBondContact O-N 3.46Å
348E96Very high95.9Very high114 Ų114110.7 Ų110.753%0.53351%0.514SS..Hα-helixtrans-63.7-43.7174.3-75173.7-170.100111.1R344 R345 Q346 A351 E352R344-E348 HydrophobicContact CG-CG 4.48Å; R344-E348 WeakPolarHBondContact CG-OE1 3.43Å; R344-E348 WeakPolarHBondContact O-CB 3.25Å; R344-E348 VanDerWaalsContact O-CG 3.29Å; R344-E348 WeakPolarHBondContact O-CG 3.12Å; R344-E348 PolarHBondContact O-N 2.89Å; R345-E348 PolarHBondContact O-N 3.26Å; Q346-E348 PolarHBondContact O-N 3.45Å; E348-A351 PolarHBondContact O-N 2.83Å; E348-E352 VanDerWaalsContact O-CB 3.32Å; E348-E352 WeakPolarHBondContact O-CB 3.28Å; E348-E352 PolarHBondContact O-N 3.37Å
349E96Very high95.9Very high130 Ų130109.7 Ų109.761%0.60751%0.509SS*.Hα-helixtrans-63.7-43.6175.7-75.6175.8-172.100112.4R345 Q346 E352 A353R345-E349 WeakPolarHBondContact O-CB 3.44Å; R345-E349 VanDerWaalsContact O-CG 3.25Å; R345-E349 WeakPolarHBondContact O-CG 3.45Å; R345-E349 PolarHBondContact O-N 3.4Å; Q346-E349 PolarHBondContact O-N 2.8Å; E349-E352 PolarHBondContact O-N 3.47Å; E349-A353 WeakPolarHBondContact O-CB 3.31Å; E349-A353 PolarHBondContact O-N 3.19Å
350E95.6Very high96Very high129 Ų129110.8 Ų110.860%0.60351%0.514SS*.Hα-helixtrans-65.2-43.7176-75.3-179.8-179.900112Q346 E352 A353 L354Q346-E350 WeakPolarHBondContact O-CB 3.5Å; Q346-E350 WeakPolarHBondContact O-CG 3.37Å; Q346-E350 PolarHBondContact O-N 3.46Å; E350-E352 VanDerWaalsContact C-N 3.34Å; E350-E352 PolarHBondContact O-N 2.91Å; E350-A353 PolarHBondContact O-N 2.72Å; E350-L354 WeakPolarHBondContact O-CG 3.42Å; E350-L354 PolarHBondContact O-N 3.46Å
351A95.5Very high96Very high44 Ų44109.6 Ų109.636%0.36451%0.511SS..Hα-helixtrans-65.2-37.9176.900000111.8Q347 E348 R355Q347-A351 WeakPolarHBondContact O-CB 3.4Å; Q347-A351 PolarHBondContact O-N 3.46Å; E348-A351 PolarHBondContact O-N 2.83Å; A351-R355 WeakPolarHBondContact O-CG 3.4Å; A351-R355 PolarHBondContact O-N 3.31Å; A351-R355 VanDerWaalsContact O-N 3.08Å
352E96.1Very high95.9Very high97 Ų97113.5 Ų113.545%0.45352%0.522SS..Hα-helixtrans-69-38174.7-159.1-170.4-164.900111.6E348 E349 E350 R355 R356E348-E352 VanDerWaalsContact O-CB 3.32Å; E348-E352 WeakPolarHBondContact O-CB 3.28Å; E348-E352 PolarHBondContact O-N 3.37Å; E349-E352 PolarHBondContact O-N 3.47Å; E350-E352 VanDerWaalsContact C-N 3.34Å; E350-E352 PolarHBondContact O-N 2.91Å; E352-R355 PolarHBondContact O-N 3.5Å; E352-R356 VanDerWaalsContact CD-NH1 3.3Å; E352-R356 VanDerWaalsContact O-CG 3.32Å; E352-R356 WeakPolarHBondContact O-CG 3.41Å; E352-R356 PolarHBondContact O-N 2.87Å; E352-R356 IonicContact OE1-CZ 2.93Å; E352-R356 IonicContact OE1-NH1 2.67Å; E352-R356 IonicContact OE1-NH2 3.41Å; E352-R356 PolarHBondContact OE1-NH2 3.29Å; E352-R356 IonicContact OE2-CZ 2.7Å; E352-R356 IonicContact OE2-NH1 2.78Å; E352-R356 PolarHBondContact OE2-NH1 3.45Å; E352-R356 IonicContact OE2-NH2 3.91Å; E352-R356 PolarHBondContact OE2-NH2 2.89Å
353A96.4Very high95.9Very high53 Ų53117.5 Ų117.544%0.43853%0.533SS..Hα-helixtrans-62.5-45174.200000112.2E349 E350 R356 E357E349-A353 WeakPolarHBondContact O-CB 3.31Å; E349-A353 PolarHBondContact O-N 3.19Å; E350-A353 PolarHBondContact O-N 2.72Å; A353-R356 PolarHBondContact O-N 3.44Å; A353-E357 PolarHBondContact O-N 3.36Å
354L96.4Very high95.8Very high104 Ų104117 Ų11755%0.54553%0.531SS..Hα-helixtrans-62.1-43175.7-76.8168.3000112.2E350 R356 E357 E358E350-L354 WeakPolarHBondContact O-CG 3.42Å; E350-L354 PolarHBondContact O-N 3.46Å; L354-R356 VanDerWaalsContact C-N 3.34Å; L354-R356 PolarHBondContact O-N 3.02Å; L354-E357 PolarHBondContact O-N 3.36Å; L354-E358 PolarHBondContact O-N 2.88Å
355R95.6Very high95.8Very high177 Ų177119.4 Ų119.467%0.66854%0.541SS*.Hα-helixtrans-61-42.9176-74.9177.1-176.3-1683.7112A351 E352 E357 E358 E359A351-R355 WeakPolarHBondContact O-CG 3.4Å; A351-R355 PolarHBondContact O-N 3.31Å; A351-R355 VanDerWaalsContact O-N 3.08Å; E352-R355 PolarHBondContact O-N 3.5Å; R355-E357 VanDerWaalsContact C-N 3.3Å; R355-E357 PolarHBondContact O-N 3.45Å; R355-E358 PolarHBondContact O-N 3.34Å; R355-E359 WeakPolarHBondContact O-CB 3.47Å; R355-E359 WeakPolarHBondContact O-CG 3.38Å; R355-E359 PolarHBondContact O-N 2.94Å
356R96.1Very high95.7Very high121 Ų121117.6 Ų117.646%0.45754%0.539SS..Hα-helixtrans-63.2-36.5175.3-72175.6-177.5124.3-3.1112E352 A353 L354 R360E352-R356 VanDerWaalsContact CD-NH1 3.3Å; E352-R356 VanDerWaalsContact O-CG 3.32Å; E352-R356 WeakPolarHBondContact O-CG 3.41Å; E352-R356 PolarHBondContact O-N 2.87Å; E352-R356 IonicContact OE1-CZ 2.93Å; E352-R356 IonicContact OE1-NH1 2.67Å; E352-R356 IonicContact OE1-NH2 3.41Å; E352-R356 PolarHBondContact OE1-NH2 3.29Å; E352-R356 IonicContact OE2-CZ 2.7Å; E352-R356 IonicContact OE2-NH1 2.78Å; E352-R356 PolarHBondContact OE2-NH1 3.45Å; E352-R356 IonicContact OE2-NH2 3.91Å; E352-R356 PolarHBondContact OE2-NH2 2.89Å; A353-R356 PolarHBondContact O-N 3.44Å; L354-R356 VanDerWaalsContact C-N 3.34Å; L354-R356 PolarHBondContact O-N 3.02Å; R356-R360 VanDerWaalsContact O-CG 3.28Å; R356-R360 WeakPolarHBondContact O-CG 3.41Å; R356-R360 PolarHBondContact O-N 3.41Å; R356-R360 VanDerWaalsContact O-N 3.13Å
357E96.2Very high95.7Very high114 Ų114117.8 Ų117.853%0.53354%0.54SS..Hα-helixtrans-70-43.8176.1-171.3175.1-171.500111.8A353 L354 R355 E359 R360 L361A353-E357 PolarHBondContact O-N 3.36Å; L354-E357 PolarHBondContact O-N 3.36Å; R355-E357 VanDerWaalsContact C-N 3.3Å; R355-E357 PolarHBondContact O-N 3.45Å; E357-E359 PolarHBondContact O-N 3.38Å; E357-R360 PolarHBondContact O-N 2.86Å; E357-L361 HydrophobicContact CG-CD1 4.33Å; E357-L361 WeakPolarHBondContact O-CG 3.36Å; E357-L361 PolarHBondContact O-N 3.15Å
358E95.5Very high95.6Very high106 Ų106119.4 Ų119.450%0.49554%0.54SS..Hα-helixtrans-60.8-42.5174.4-75.7-170.3-173.900112.4L354 R355 L361 R362L354-E358 PolarHBondContact O-N 2.88Å; R355-E358 PolarHBondContact O-N 3.34Å; E358-L361 PolarHBondContact O-N 2.85Å; E358-R362 WeakPolarHBondContact O-CB 3.28Å; E358-R362 VanDerWaalsContact O-CG 3.28Å; E358-R362 WeakPolarHBondContact O-CG 3.22Å; E358-R362 PolarHBondContact O-N 3.42Å; E358-R362 IonicContact OE2-NH2 3.65Å
359E95.7Very high95.5Very high120 Ų120120.3 Ų120.356%0.56154%0.543SS*.Hα-helixtrans-60.7-46.2175.6-76.9175.5178.800111.1R355 E357 L361 R362 E363R355-E359 WeakPolarHBondContact O-CB 3.47Å; R355-E359 WeakPolarHBondContact O-CG 3.38Å; R355-E359 PolarHBondContact O-N 2.94Å; E357-E359 PolarHBondContact O-N 3.38Å; E359-L361 PolarHBondContact O-N 2.91Å; E359-R362 PolarHBondContact O-N 3.16Å; E359-E363 WeakPolarHBondContact O-CG 3.37Å; E359-E363 PolarHBondContact O-N 2.86Å
360R96.2Very high95.3Very high172 Ų172121.6 Ų121.665%0.64954%0.542SS*.Hα-helixtrans-59.5-45.3174.9-74.7175.2-178.5-167.11.7112.5R356 E357 R362 E363 E364R356-R360 VanDerWaalsContact O-CG 3.28Å; R356-R360 WeakPolarHBondContact O-CG 3.41Å; R356-R360 PolarHBondContact O-N 3.41Å; R356-R360 VanDerWaalsContact O-N 3.13Å; E357-R360 PolarHBondContact O-N 2.86Å; R360-R362 VanDerWaalsContact C-N 3.31Å; R360-R362 PolarHBondContact O-N 3.39Å; R360-E363 PolarHBondContact O-N 3.27Å; R360-E364 WeakPolarHBondContact O-CG 3.35Å; R360-E364 PolarHBondContact O-N 3.25Å
361L95.9Very high95.1Very high98 Ų98120.8 Ų120.851%0.51354%0.538SS..Hα-helixtrans-64.8-35.6178.4-73.3172.3000112.1E357 E358 E359 Y365E357-L361 HydrophobicContact CG-CD1 4.33Å; E357-L361 WeakPolarHBondContact O-CG 3.36Å; E357-L361 PolarHBondContact O-N 3.15Å; E358-L361 PolarHBondContact O-N 2.85Å; E359-L361 PolarHBondContact O-N 2.91Å; L361-Y365 VanDerWaalsContact O-CB 3.3Å; L361-Y365 WeakPolarHBondContact O-CB 3.39Å; L361-Y365 PolarHBondContact O-N 3.25Å
362R95.6Very high94.9Very high162 Ų162124.8 Ų124.861%0.61155%0.549SS*.Hα-helixtrans-67.1-44.7174.3-74.5176.3-170.2-170.39111.5E358 E359 R360 Y365 E366E358-R362 WeakPolarHBondContact O-CB 3.28Å; E358-R362 VanDerWaalsContact O-CG 3.28Å; E358-R362 WeakPolarHBondContact O-CG 3.22Å; E358-R362 PolarHBondContact O-N 3.42Å; E358-R362 IonicContact OE2-NH2 3.65Å; E359-R362 PolarHBondContact O-N 3.16Å; R360-R362 VanDerWaalsContact C-N 3.31Å; R360-R362 PolarHBondContact O-N 3.39Å; R362-Y365 PolarHBondContact O-N 3.49Å; R362-E366 WeakPolarHBondContact O-CG 3.25Å; R362-E366 PolarHBondContact O-N 2.88Å
363E95.2Very high94.6Very high127 Ų127122.7 Ų122.759%0.59355%0.549SS*.Hα-helixtrans-59.2-48.2175-72.8177.2172.100111E359 R360 Y365 E366 E367E359-E363 WeakPolarHBondContact O-CG 3.37Å; E359-E363 PolarHBondContact O-N 2.86Å; R360-E363 PolarHBondContact O-N 3.27Å; E363-Y365 VanDerWaalsContact C-N 3.33Å; E363-Y365 PolarHBondContact O-N 3.39Å; E363-E366 PolarHBondContact O-N 3.38Å; E363-E367 WeakPolarHBondContact O-CG 3.39Å; E363-E367 PolarHBondContact O-N 2.97Å
364E95.5Very high94.2Very high101 Ų101125.1 Ų125.147%0.47255%0.551SS.*Hα-helixtrans-60.8-40.1176.2-74.7-176.9-175.100112.6R360 E367 R368R360-E364 WeakPolarHBondContact O-CG 3.35Å; R360-E364 PolarHBondContact O-N 3.25Å; E364-E367 PolarHBondContact O-N 2.94Å; E364-R368 WeakPolarHBondContact O-CB 3.49Å; E364-R368 WeakPolarHBondContact O-CG 3.35Å; E364-R368 PolarHBondContact O-N 3.23Å
365Y94.6Very high93.8Very high158 Ų158124.7 Ų124.762%0.6255%0.549SS*.Hα-helixtrans-65.8-42.9176.7-179-96.4000111.8L361 R362 E363 R368 K369L361-Y365 VanDerWaalsContact O-CB 3.3Å; L361-Y365 WeakPolarHBondContact O-CB 3.39Å; L361-Y365 PolarHBondContact O-N 3.25Å; R362-Y365 PolarHBondContact O-N 3.49Å; E363-Y365 VanDerWaalsContact C-N 3.33Å; E363-Y365 PolarHBondContact O-N 3.39Å; Y365-R368 PolarHBondContact O-N 2.86Å; Y365-K369 WeakPolarHBondContact O-CB 3.43Å; Y365-K369 PolarHBondContact O-N 3.26Å
366E95.1Very high93.2Very high104 Ų104121.7 Ų121.749%0.48655%0.546SS..Hα-helixtrans-64-42.1175-75.7-169.6-168.800112.1R362 E363 K369 R370R362-E366 WeakPolarHBondContact O-CG 3.25Å; R362-E366 PolarHBondContact O-N 2.88Å; E363-E366 PolarHBondContact O-N 3.38Å; E366-K369 PolarHBondContact O-N 3.13Å; E366-R370 VanDerWaalsContact O-CG 3.29Å; E366-R370 WeakPolarHBondContact O-CG 3.3Å; E366-R370 PolarHBondContact O-N 3.35Å; E366-R370 IonicContact OE2-NH2 3.41Å; E366-R370 PolarHBondContact OE2-NH2 3.46Å
367E94.2Very high92.4Very high115 Ų115123.5 Ų123.554%0.53756%0.559SS.*Hα-helixtrans-62.2-45.6175.5-76.6-171.9171.100111.9E363 E364 K369 R370 Q371E363-E367 WeakPolarHBondContact O-CG 3.39Å; E363-E367 PolarHBondContact O-N 2.97Å; E364-E367 PolarHBondContact O-N 2.94Å; E367-K369 VanDerWaalsContact C-N 3.32Å; E367-K369 PolarHBondContact O-N 3.27Å; E367-R370 PolarHBondContact O-N 3.27Å; E367-Q371 WeakPolarHBondContact O-CG 3.39Å; E367-Q371 PolarHBondContact O-N 3.41Å
368R94.4Very high91.6Very high161 Ų161125.1 Ų125.161%0.60857%0.565SS**Hα-helixtrans-58.9-44.9174.9-77.2-179.4-177.2-148.94.1111.6E364 Y365 R370 Q371 E372E364-R368 WeakPolarHBondContact O-CB 3.49Å; E364-R368 WeakPolarHBondContact O-CG 3.35Å; E364-R368 PolarHBondContact O-N 3.23Å; Y365-R368 PolarHBondContact O-N 2.86Å; R368-R370 VanDerWaalsContact C-N 3.32Å; R368-R370 PolarHBondContact O-N 2.96Å; R368-Q371 PolarHBondContact O-N 3.46Å; R368-E372 WeakPolarHBondContact O-CB 3.28Å; R368-E372 WeakPolarHBondContact O-CG 3.23Å; R368-E372 PolarHBondContact O-N 2.94Å
369K93.5Very high90.6Very high134 Ų134125.7 Ų125.758%0.58358%0.575SS**Hα-helixtrans-63.6-37.9178.2-167.4-179.7-179.3-177.90112Y365 E366 E367 A373Y365-K369 WeakPolarHBondContact O-CB 3.43Å; Y365-K369 PolarHBondContact O-N 3.26Å; E366-K369 PolarHBondContact O-N 3.13Å; E367-K369 VanDerWaalsContact C-N 3.32Å; E367-K369 PolarHBondContact O-N 3.27Å; K369-A373 WeakPolarHBondContact O-CB 3.29Å; K369-A373 PolarHBondContact O-N 3.3Å
370R92.6Very high89Confident156 Ų156128.2 Ų128.259%0.58960%0.599SS**Hα-helixtrans-64.9-45.5173.5-71.9175.1-165.9-173.69.9111.2E366 E367 R368 E372 A373 E374E366-R370 VanDerWaalsContact O-CG 3.29Å; E366-R370 WeakPolarHBondContact O-CG 3.3Å; E366-R370 PolarHBondContact O-N 3.35Å; E366-R370 IonicContact OE2-NH2 3.41Å; E366-R370 PolarHBondContact OE2-NH2 3.46Å; E367-R370 PolarHBondContact O-N 3.27Å; R368-R370 VanDerWaalsContact C-N 3.32Å; R368-R370 PolarHBondContact O-N 2.96Å; R370-E372 PolarHBondContact O-N 2.89Å; R370-A373 PolarHBondContact O-N 2.71Å; R370-E374 WeakPolarHBondContact O-CG 3.15Å; R370-E374 PolarHBondContact O-N 2.85Å
371Q91.7Very high88.6Confident113 Ų113126 Ų12653%0.52860%0.597SS.*Hα-helixtrans-63.1-40.2177-71.1176.412.400112.4E367 R368 E374 N375E367-Q371 WeakPolarHBondContact O-CG 3.39Å; E367-Q371 PolarHBondContact O-N 3.41Å; R368-Q371 PolarHBondContact O-N 3.46Å; Q371-E374 PolarHBondContact O-N 2.91Å; Q371-N375 WeakPolarHBondContact O-CB 3.11Å; Q371-N375 VanDerWaalsContact O-CG 3.29Å; Q371-N375 PolarHBondContact O-N 3.32Å; Q371-N375 PolarHBondContact O-ND2 2.98Å
372E90.9Very high88.2Confident127 Ų127127.5 Ų127.559%0.59360%0.601SS**Hα-helixtrans-64.3-43.6174.9-75.9177.2-17900111.8R368 R370 N375 L376R368-E372 WeakPolarHBondContact O-CB 3.28Å; R368-E372 WeakPolarHBondContact O-CG 3.23Å; R368-E372 PolarHBondContact O-N 2.94Å; R370-E372 PolarHBondContact O-N 2.89Å; E372-N375 PolarHBondContact O-N 2.89Å; E372-L376 WeakPolarHBondContact O-CG 3.39Å; E372-L376 PolarHBondContact O-N 3.41Å
373A89.7Confident87.8Confident54 Ų54125.6 Ų125.645%0.44660%0.601SS.*Hα-helixtrans-62.6-44.5175.400000112K369 R370 N375 L376 E377K369-A373 WeakPolarHBondContact O-CB 3.29Å; K369-A373 PolarHBondContact O-N 3.3Å; R370-A373 PolarHBondContact O-N 2.71Å; A373-N375 VanDerWaalsContact C-N 3.33Å; A373-N375 PolarHBondContact O-N 3.3Å; A373-L376 PolarHBondContact O-N 3.44Å; A373-E377 PolarHBondContact O-N 3.22Å
374E88.5Confident87.4Confident103 Ų103125.5 Ų125.548%0.48160%0.601SS.*Hα-helixtrans-64.3-35.3175.5-74.4-177.4-16800112.7R370 Q371 K378R370-E374 WeakPolarHBondContact O-CG 3.15Å; R370-E374 PolarHBondContact O-N 2.85Å; Q371-E374 PolarHBondContact O-N 2.91Å; E374-K378 VanDerWaalsContact O-CG 3.29Å; E374-K378 WeakPolarHBondContact O-CG 3.04Å; E374-K378 PolarHBondContact O-N 3.41Å; E374-K378 VanDerWaalsContact O-N 3.15Å
375N87.6Confident86.9Confident95 Ų95127 Ų12751%0.50861%0.609SS.*Hα-helixtrans-71.7-35.3176.4-79.6-22.6000112.2Q371 E372 A373 K378 T379Q371-N375 WeakPolarHBondContact O-CB 3.11Å; Q371-N375 VanDerWaalsContact O-CG 3.29Å; Q371-N375 PolarHBondContact O-N 3.32Å; Q371-N375 PolarHBondContact O-ND2 2.98Å; E372-N375 PolarHBondContact O-N 2.89Å; A373-N375 VanDerWaalsContact C-N 3.33Å; A373-N375 PolarHBondContact O-N 3.3Å; N375-K378 PolarHBondContact O-N 3.21Å; N375-T379 PolarHBondContact O-N 2.95Å; N375-T379 PolarHBondContact O-OG1 3.46Å
376L83.7Confident86.4Confident115 Ų115124.9 Ų124.960%0.60261%0.608SS**Hα-helixtrans-65.6-43.5172.8-80.2160.2000111.4E372 A373 K378 T379 T380E372-L376 WeakPolarHBondContact O-CG 3.39Å; E372-L376 PolarHBondContact O-N 3.41Å; A373-L376 PolarHBondContact O-N 3.44Å; L376-K378 VanDerWaalsContact C-N 3.27Å; L376-K378 PolarHBondContact O-N 2.83Å; L376-T379 WeakPolarHBondContact CA-OG1 3.31Å; L376-T379 PolarHBondContact O-N 3.28Å; L376-T379 PolarHBondContact O-OG1 3.09Å; L376-T380 PolarHBondContact O-N 2.81Å; L376-T380 PolarHBondContact O-OG1 3.48Å
377E79.4Confident85.8Confident158 Ų158126.4 Ų126.474%0.73862%0.617SS**Hα-helixtrans-62.4-32.5174.8-78.4-170160.800113.1A373A373-E377 PolarHBondContact O-N 3.22Å
378K78.5Confident85.1Confident149 Ų149127.3 Ų127.365%0.64862%0.623SS**Hα-helixtrans-78.8-17.4177.3-72.3168.9-171.6161.30114.3E374 N375 L376E374-K378 VanDerWaalsContact O-CG 3.29Å; E374-K378 WeakPolarHBondContact O-CG 3.04Å; E374-K378 PolarHBondContact O-N 3.41Å; E374-K378 VanDerWaalsContact O-N 3.15Å; N375-K378 PolarHBondContact O-N 3.21Å; L376-K378 VanDerWaalsContact C-N 3.27Å; L376-K378 PolarHBondContact O-N 2.83Å
379T74.4Confident84.3Confident117 Ų117124.5 Ų124.572%0.71863%0.625SS**Hα-helixtrans-99.8-5-17843.70000113.8N375 L376N375-T379 PolarHBondContact O-N 2.95Å; N375-T379 PolarHBondContact O-OG1 3.46Å; L376-T379 WeakPolarHBondContact CA-OG1 3.31Å; L376-T379 PolarHBondContact O-N 3.28Å; L376-T379 PolarHBondContact O-OG1 3.09Å
380T61.9Low83.5Confident173 Ų173123.6 Ų123.6100%1.06163%0.628SS**  trans-1000171.5-23.90000109.7L376L376-T380 PolarHBondContact O-N 2.81Å; L376-T380 PolarHBondContact O-OG1 3.48Å

Retrieved 380 of 380 residues in 1208.7 ms (Link to these results)