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Complement C1q subcomponent subunit C

Core component of the complement C1 complex, a multiprotein complex that initiates the classical pathway of the complement system, a cascade of proteins that leads to phagocytosis and breakdown of pathogens and signaling that strengthens the adaptive immune system1,2,3,4,5,6,7,8. The classical complement pathway is initiated by the C1Q subcomplex of the C1 complex, which specifically binds IgG or IgM immunoglobulins complexed with antigens, forming antigen-antibody complexes on the surface of pathogens: C1QA, together with C1QB and C1QC, specifically recognizes and binds the Fc regions of IgG or IgM via its C1q domain9,10,11,12,13,14. Immunoglobulin-binding activates the proenzyme C1R, which cleaves C1S, initiating the proteolytic cascade of the complement system15. The C1Q subcomplex is activated by a hexamer of IgG complexed with antigens, while it is activated by a pentameric IgM16,17,18. The C1Q subcomplex also recognizes and binds phosphatidylserine exposed on the surface of cells undergoing programmed cell death, possibly promoting activation of the complement system19.

AlphaFold DB , UniProt , Accession P02747, Species HUMAN (Homo sapiens, Human), Gene C1QC, Length 245 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
1M43.2Very low49.8Very low233 Ų233140 Ų140100%1.14882%0.82SS**  061.40-53.8-168.1-174.800106.1
2D40.2Very low50.6Low157 Ų157133.4 Ų133.484%0.8480%0.804SS**  45.5104.571.1-83.3-53.6000113.7
3V48.6Very low51.3Low148 Ų148132.8 Ų132.890%0.89779%0.793SS**  -163.2134.1112.5172.80000108.1
4G43.6Very low52.1Low63 Ų63135.1 Ų135.165%0.64979%0.787SS**  trans-86.4-171.1-174.500000116.5
5P46.9Very low52.7Low128 Ų128134.3 Ų134.383%0.83178%0.778SS**  trans-102.7160.8-168.239.7-32.9000113.9
6S54.5Low53.3Low114 Ų114133.1 Ų133.180%0.79777%0.767SS**  trans179.6152.2167.922.80000108.7
7S53.5Low53.8Low102 Ų102131.9 Ų131.971%0.71376%0.757SS**  cis-174.2130.3-10.738.60000104.7
8L51.3Low54.3Low179 Ų179131.6 Ų131.694%0.93775%0.751SS**  trans-123.899.6176.4-120.5101.1000110.3
9P51.6Low54.7Low100 Ų100130.9 Ų130.965%0.64974%0.744SS**  trans-143.174.8159.237.6-18.2000112.1
10H57.6Low55Low157 Ų157131.3 Ų131.373%0.72774%0.744SS**SBendtrans-131.4-8.4170.7-74.3-52.6000115
11L57.3Low55.1Low159 Ų159131.7 Ų131.783%0.83274%0.743SS**Hα-helixtrans-82.8-32.5-176.2-133.975.4000113.5
12G59.4Low56Low61 Ų61126.5 Ų126.563%0.62972%0.719SS**Hα-helixtrans-70.5-33-176.600000114.7
13L59.8Low56.8Low125 Ų125124.8 Ų124.865%0.65472%0.717SS**Hα-helixtrans-75.9-28-174.9-161.367.5000112.8L17L13-L17 PolarHBondContact O-N 3.28Å
14K61.8Low56.9Low165 Ų165125.7 Ų125.772%0.71772%0.716SS**Hα-helixtrans-74.1-28.8177.3-72.6-168.8174.9-173.10113.1
15L61.5Low57.1Low124 Ų124134.5 Ų134.565%0.64973%0.729SS**Hα-helixtrans-77-32.8179.3-154.972.2000112L18L15-L18 PolarHBondContact O-N 3.3Å
16L62.4Low57.1Low114 Ų114132.1 Ų132.160%0.59773%0.728SS**Hα-helixtrans-70.4-34.1176.4-158.774.2000112.4L18L16-L18 VanDerWaalsContact C-N 3.34Å
17L62.1Low56.4Low114 Ų114136.5 Ų136.560%0.59774%0.736SS**Hα-helixtrans-69-29174.6-114.691.2000113.2L13L13-L17 PolarHBondContact O-N 3.28Å
18L61.6Low56Low125 Ų125136.3 Ų136.365%0.65474%0.74SS**Hα-helixtrans-73.3-29.8179.2-120.592.2000112.8L15 L16L15-L18 PolarHBondContact O-N 3.3Å; L16-L18 VanDerWaalsContact C-N 3.34Å
19L62.9Low55.4Low119 Ų119135.5 Ų135.562%0.62374%0.737SS**Hα-helixtrans-76.9-20.5178.3-83.7149.9000113.2L21L19-L21 VanDerWaalsContact C-N 3.29Å; L19-L21 PolarHBondContact O-N 3.41Å
20L59.4Low55.1Low139 Ų139137.3 Ų137.373%0.72875%0.746SS**THydrogen-bonded Turntrans-80.1-6.1176.5-79.4155.8000113.8
21L59.1Low54.2Low139 Ų139133.4 Ų133.473%0.72875%0.748SS**THydrogen-bonded Turntrans-100.35.9-177.7-73166.7000114.2L19 P23L19-L21 VanDerWaalsContact C-N 3.29Å; L19-L21 PolarHBondContact O-N 3.41Å; L21-P23 WeakPolarHBondContact O-CD 3.46Å
22L61.4Low53.4Low125 Ų125131.2 Ų131.265%0.65475%0.745SS**  trans-95.2114.1175.9-71.1168000110.7L24L22-L24 PolarHBondContact O-N 3.3Å
23P55.7Low52.7Low121 Ų121139 Ų13979%0.78676%0.757SS**  trans-74.8114.4175.330.3-29.7000109.4L21L21-P23 WeakPolarHBondContact O-CD 3.46Å
24L51.6Low52Low167 Ų167136.6 Ų136.687%0.87476%0.763SS**  trans-71.7120.8158.9-81.999.1000108.9L22L22-L24 PolarHBondContact O-N 3.3Å
25R48.9Very low51.6Low248 Ų248136.3 Ų136.394%0.93677%0.767SS**  trans-157.1120.1156.2-97.9168.1-166.9-163.81.8105.9
26G46.1Very low51.3Low78 Ų78135.9 Ų135.980%0.80477%0.772SS**  cis111.898.635.300000107.1
27Q40.2Very low50.8Low205 Ų205133.8 Ų133.896%0.95878%0.778SS**  trans-58.9138.3175.5-106.8168.1-3500111.9
28A45.1Very low50.6Low98 Ų98136.9 Ų136.981%0.8179%0.791SS**  trans-159.6113.2149.300000111.5
29N37.6Very low50.5Low162 Ų162136.8 Ų136.887%0.86680%0.798SS**  trans-59.2131.7159-87.6-22.2000110.4
30T46.8Very low50Low138 Ų138134.6 Ų134.685%0.84780%0.804SS**  trans-164.6136.6135.2-26.20000110.2
31G37.2Very low50.1Low75 Ų75136 Ų13677%0.77381%0.812SS**  trans-65.8141.6-169.700000115.4
32C40.3Very low50.3Low114 Ų114135.1 Ų135.177%0.7781%0.814SS**  trans-106.498.6174.5-66.10000110
33Y46.4Very low49.9Very low224 Ų224132.6 Ų132.688%0.87882%0.818SS**PPolyproline II helixtrans-65.2135.8150.7-81.2-90.3000107.9I35Y33-I35 PolarHBondContact O-N 3.44Å
34G44.2Very low50.1Low74 Ų74131.4 Ų131.476%0.76382%0.819SS**PPolyproline II helixtrans-54.4130.3-178.700000111.8P36G34-P36 WeakPolarHBondContact O-CD 3.48Å
35I53Low50.6Low160 Ų160129.4 Ų129.482%0.82182%0.816SS**PPolyproline II helixtrans-69.7126.1179.4-42.2174.6000107.8Y33Y33-I35 PolarHBondContact O-N 3.44Å
36P55.1Low50.9Low115 Ų115120.9 Ų120.975%0.74781%0.805SS**PPolyproline II helixtrans-55.2142.6170.3-24.734.5000110.8G34G34-P36 WeakPolarHBondContact O-CD 3.48Å
37G51.7Low51.4Low69 Ų69127.2 Ų127.271%0.71181%0.811SS**PPolyproline II helixtrans-59145.3178.700000111.9
38M58.4Low52.5Low180 Ų180125 Ų12589%0.88781%0.806SS**PPolyproline II helixtrans-61.3144.1173-69.6179.863.900110.6
39P60.4Low52.9Low122 Ų122123.8 Ų123.879%0.79280%0.802SS**PPolyproline II helixtrans-54.5148.1171.2-24.133.7000111.9
40G51.2Low54Low73 Ų73127.2 Ų127.275%0.75381%0.805SS**PPolyproline II helixtrans-60.4153.7174.400000112.2
41L62.1Low54.6Low170 Ų170128.4 Ų128.489%0.8981%0.806SS**PPolyproline II helixtrans-64.7142.5174.6-67.9169.6000110.3
42P63Low55.3Low119 Ų119128.4 Ų128.477%0.77381%0.806SS**PPolyproline II helixtrans-56.3146.6170.9-23.733.8000111.9
43G52.8Low56.3Low72 Ų72131 Ų13174%0.74281%0.811SS**PPolyproline II helixtrans-61.7154.7175.200000112.5
44A60.2Low57.2Low97 Ų97126.3 Ų126.380%0.80281%0.808SS**PPolyproline II helixtrans-62.8145.4176.500000111.3
45P63.1Low57.9Low124 Ų124125.9 Ų125.981%0.80580%0.804SS**PPolyproline II helixtrans-55.7148.1172.5-24.234000112.2
46G53.9Low58.7Low70 Ų70124.6 Ų124.672%0.72281%0.806SS**PPolyproline II helixtrans-61.6157.1173.100000112.1
47K57.8Low59.3Low211 Ų211128.9 Ų128.992%0.91781%0.813SS**PPolyproline II helixtrans-69.5147.8173-64.2-177.9179179.70110.3
48D62.3Low59.8Low159 Ų159128.6 Ų128.685%0.8581%0.809SS**PPolyproline II helixtrans-58.4147.5173.4-62.6-29000111.2
49G53.4Low60.4Low72 Ų72129.1 Ų129.174%0.74281%0.81SS**PPolyproline II helixtrans-68.7157175.700000112.3
50Y59.9Low61Low233 Ų233129.3 Ų129.391%0.91481%0.811SS**PPolyproline II helixtrans-72.3149.1173-64-78.5000111.5
51D60.2Low61.9Low164 Ų164129.2 Ų129.288%0.87781%0.81SS**PPolyproline II helixtrans-58.8142.3172.3-67.9-29.7000111.5
52G51.6Low62.2Low74 Ų74129 Ų12976%0.76381%0.808SS**PPolyproline II helixtrans-68.2150.9177.100000113
53L62.1Low62.7Low168 Ų168128.6 Ų128.688%0.8881%0.806SS**PPolyproline II helixtrans-67.4147.5174.5-66.5171.7000111.4
54P65Low63.3Low126 Ų126129.8 Ų129.882%0.81881%0.809SS**PPolyproline II helixtrans-56.1138.5172.6-24.233.6000112.4
55G59.6Low63.6Low66 Ų66132.9 Ų132.968%0.6881%0.81SS**PPolyproline II helixtrans-65.6158.7177.800000113.4
56P68.3Low63.8Low132 Ų132132.8 Ų132.886%0.85781%0.809SS**PPolyproline II helixtrans-64.5149.7177.627.8-34.3000111.8G58P56-G58 PolarHBondContact O-N 3.19Å
57K68.8Low64.3Low206 Ų206133 Ų13390%0.89681%0.811SS**PPolyproline II helixtrans-62.1133173.4-175-179.6179.5-179.10109.9
58G62.5Low64.2Low62 Ų62131.3 Ų131.364%0.63981%0.81SS**PPolyproline II helixtrans-60.9150176.500000113.1P56P56-G58 PolarHBondContact O-N 3.19Å
59E70.2Confident64.1Low191 Ų191135.3 Ų135.389%0.89381%0.813SS**PPolyproline II helixtrans-64.3145.2177.8-64.8-172.2156.500111.6
60P74.1Confident64.6Low126 Ų126134.5 Ų134.582%0.81881%0.805SS**PPolyproline II helixtrans-57.9142.3173.4-22.633.3000112.2
61G68.4Low64.5Low71 Ų71129.8 Ų129.873%0.73280%0.803SS**PPolyproline II helixtrans-59.4145.9175.500000112.6
62I68.9Low64.1Low166 Ų166132.2 Ų132.285%0.85181%0.806SS**PPolyproline II helixtrans-64.1128.9-179.8-51.6169.4000109.2
63P73.5Confident64.4Low111 Ų111131.9 Ų131.972%0.72180%0.802SS**PPolyproline II helixtrans-58.7138174.8-22.832.7000111.7I65P63-I65 PolarHBondContact O-N 3.43Å
64A65.1Low64.2Low97 Ų97133.5 Ų133.580%0.80281%0.805SS**PPolyproline II helixtrans-62.1133.8175.800000111
65I66.2Low63.6Low162 Ų162137.7 Ų137.783%0.83181%0.811SS**PPolyproline II helixtrans-63.2126.6176.6-57.7167.9000108.6P63 G67P63-I65 PolarHBondContact O-N 3.43Å; I65-G67 PolarHBondContact O-N 3.43Å
66P68.7Low63.5Low121 Ų121137.6 Ų137.679%0.78681%0.81SS**PPolyproline II helixtrans-62.1119.4176.2-21.832.7000111.2
67G63.4Low63.5Low74 Ų74140.3 Ų140.376%0.76381%0.811SS**PPolyproline II helixtrans-65.1147.9171.800000112.3I65I65-G67 PolarHBondContact O-N 3.43Å
68I56.9Low63.6Low176 Ų176136.7 Ų136.790%0.90381%0.809SS**PPolyproline II helixtrans-67136-174.1-30.4174.4000110.5G70I68-G70 PolarHBondContact O-N 3.45Å
69R60.1Low63.7Low243 Ų243137.2 Ų137.292%0.91781%0.814SS**  trans-70.3111.6-175.6-171.3178.7-168.9174.24.1111.9
70G64Low63.9Low55 Ų55136 Ų13657%0.56781%0.813SS**  trans-80164.3163.800000112.7I68I68-G70 PolarHBondContact O-N 3.45Å
71P57.1Low64Low135 Ų135135.6 Ų135.688%0.87781%0.81SS**  trans-68.9155.1-175.328.4-32.9000113.1G73P71-G73 PolarHBondContact O-N 3.49Å
72K50.9Low64.1Low215 Ų215135.6 Ų135.694%0.93581%0.81SS**  trans-69.8108.3-166.9-167.6-179.7-177-176.10112.5
73G59.1Low64.3Low66 Ų66136.4 Ų136.468%0.6881%0.809SS**PPolyproline II helixtrans-89.7162.3168.200000113.3P71P71-G73 PolarHBondContact O-N 3.49Å
74Q58.5Low64.5Low202 Ų202137 Ų13794%0.94481%0.813SS**PPolyproline II helixtrans-65146.3-178.1-61.4-178.937.100112.6
75K51.3Low64.7Low214 Ų214135.7 Ų135.793%0.9381%0.809SS**PPolyproline II helixtrans-75.1127.4172.3-177.2-175.6-174.9-176.30107.9
76G57.8Low65.1Low65 Ų65138 Ų13867%0.6781%0.813SS**  cis128.7129.214.700000106.9
77E67.6Low65.6Low189 Ų189139.8 Ų139.888%0.88382%0.816SS**PPolyproline II helixtrans-87.9143.1153.7-75.1-159.614500108.4G79E77-G79 PolarHBondContact O-N 3.5Å
78P71.3Confident66Low130 Ų130139.2 Ų139.284%0.84481%0.811SS**PPolyproline II helixtrans-57.6126.2174.1-21.132.3000110.5
79G64.7Low67Low72 Ų72137 Ų13774%0.74281%0.808SS**PPolyproline II helixtrans-62.8145.1173.100000111.1E77E77-G79 PolarHBondContact O-N 3.5Å
80L74.7Confident67.7Low166 Ų166134.2 Ų134.287%0.86981%0.807SS**PPolyproline II helixtrans-57.2147.4170.9-69.4166.6000110.4G82L80-G82 PolarHBondContact O-N 3.41Å
81P75.7Confident68.1Low118 Ų118134.1 Ų134.177%0.76681%0.806SS**PPolyproline II helixtrans-51.7136.1172.7-24.833.5000111.3
82G70.5Confident69Low70 Ų70133.5 Ų133.572%0.72280%0.803SS**PPolyproline II helixtrans-60.714417500000111.1L80L80-G82 PolarHBondContact O-N 3.41Å
83H74.3Confident70.3Confident183 Ų183129.3 Ų129.385%0.84780%0.797SS**PPolyproline II helixtrans-59.2143.9172.8-67.690.9000110.2G85H83-G85 PolarHBondContact O-N 3.46Å
84P76.7Confident71Confident123 Ų123129.6 Ų129.680%0.79980%0.8SS**PPolyproline II helixtrans-51.2139171.6-25.533.8000111.1
85G70.2Confident72Confident70 Ų70128.6 Ų128.672%0.72280%0.798SS**PPolyproline II helixtrans-56.8142175.400000110.7H83H83-G85 PolarHBondContact O-N 3.46Å
86K74.1Confident73.2Confident210 Ų210124.4 Ų124.491%0.91379%0.792SS**PPolyproline II helixtrans-60.8139.3171.2-71.3-177.8176.1179.80109G88K86-G88 PolarHBondContact O-N 3.4Å
87N79Confident74Confident159 Ų159124.7 Ų124.785%0.8580%0.795SS**PPolyproline II helixtrans-54137.5169.3-69.1-18.5000109.2
88G72.1Confident74.6Confident63 Ų63122.3 Ų122.365%0.64979%0.794SS**PPolyproline II helixtrans-61.1157.3174.800000111.5K86K86-G88 PolarHBondContact O-N 3.4Å
89P76.4Confident75.1Confident129 Ų129122.1 Ų122.184%0.83879%0.792SS**PPolyproline II helixtrans-58.8147.9174.426.6-33.9000110.7G91P89-G91 PolarHBondContact O-N 3.35Å
90M75.7Confident75.8Confident184 Ų184121.7 Ų121.791%0.90679%0.788SS**PPolyproline II helixtrans-59134.5169.7-177.116763.800109.2
91G72.6Confident76.1Confident53 Ų53120 Ų12055%0.54679%0.787SS.*PPolyproline II helixtrans-61.6157.1177.400000112.2P89P89-G91 PolarHBondContact O-N 3.35Å
92P76.7Confident76.3Confident123 Ų123123.2 Ų123.280%0.79979%0.794SS**PPolyproline II helixtrans-60.9151.2175.527.3-34.2000110.9
93P76.3Confident76.7Confident127 Ų127122.8 Ų122.883%0.82579%0.789SS**PPolyproline II helixtrans-54.7144.9171.3-23.433.4000111.6
94G75.6Confident77.1Confident72 Ų72121.8 Ų121.874%0.74279%0.788SS**PPolyproline II helixtrans-61.5154.2174.100000112.1
95M78.4Confident77.4Confident180 Ų180121.7 Ų121.789%0.88779%0.788SS**PPolyproline II helixtrans-63.1146.4173.9-66.7-176.469.900110.7G97M95-G97 PolarHBondContact O-N 3.49Å
96P76.5Confident77.8Confident126 Ų126121.8 Ų121.882%0.81879%0.788SS**PPolyproline II helixtrans-54.6140.2170.7-23.733.5000111.2
97G74.9Confident78.3Confident71 Ų71120.3 Ų120.373%0.73279%0.785SS**PPolyproline II helixtrans-61.1150.2174.800000111.9M95M95-G97 PolarHBondContact O-N 3.49Å
98V80.6Confident78.3Confident140 Ų140118.4 Ų118.485%0.84878%0.781SS**PPolyproline II helixtrans-62.6138.2171.7-101.90000110G100V98-G100 PolarHBondContact O-N 3.26Å
99P80.9Confident78Confident126 Ų126118.8 Ų118.882%0.81879%0.785SS**PPolyproline II helixtrans-52.7136.4172.8-25.834.4000111.1
100G79Confident77.6Confident63 Ų63121.9 Ų121.965%0.64979%0.788SS**PPolyproline II helixtrans-61.4158.3175.700000111.9V98V98-G100 PolarHBondContact O-N 3.26Å
101P82.8Confident77.2Confident130 Ų130121.2 Ų121.284%0.84478%0.783SS**PPolyproline II helixtrans-59.4149.1174.627.3-34.3000110.6G103P101-G103 PolarHBondContact O-N 3.44Å
102M78.8Confident76.4Confident186 Ų186120.5 Ų120.592%0.91678%0.776SS**PPolyproline II helixtrans-55.3132.2171.2-171.1-179.2-60.800109.2
103G78.1Confident75.5Confident60 Ų60123.3 Ų123.362%0.61977%0.77SS**PPolyproline II helixtrans-59.3150174.800000111P101P101-G103 PolarHBondContact O-N 3.44Å
104I83Confident74.5Confident163 Ų163124.4 Ų124.484%0.83676%0.759SS**PPolyproline II helixtrans-57.5140171.153.6173.9000109.6G106I104-G106 PolarHBondContact O-N 3.34Å
105P82.9Confident73.9Confident121 Ų121126.5 Ų126.579%0.78675%0.748SS**PPolyproline II helixtrans-51.6139.5169.8-25.534.6000110.3
106G79.7Confident73.2Confident71 Ų71122.1 Ų122.173%0.73273%0.725SS**PPolyproline II helixtrans-60.5149.2173.900000110.9I104I104-G106 PolarHBondContact O-N 3.34Å
107E83.7Confident72.9Confident179 Ų179124.3 Ų124.384%0.83672%0.722SS**PPolyproline II helixtrans-52.9143.2168.9-70-78.3132.800109.7G109E107-G109 PolarHBondContact O-N 3.43Å
108P78.9Confident73.2Confident119 Ų119127.5 Ų127.577%0.77372%0.716SS**PPolyproline II helixtrans-50.2135169.3-24.834.1000110.4
109G67.1Low73.6Confident71 Ų71126 Ų12673%0.73270%0.699SS**PPolyproline II helixtrans-59149.2175.700000111.1E107 E111E107-G109 PolarHBondContact O-N 3.43Å; G109-E111 PolarHBondContact O-N 3.1Å
110E67.4Low74.3Confident194 Ų194120.1 Ų120.191%0.90766%0.662SS**PPolyproline II helixtrans-55.4141.4174.9-66.8-151.8150.200110.8G112E110-G112 PolarHBondContact O-N 3Å
111E66.3Low75.2Confident171 Ų171119.4 Ų119.480%0.79964%0.644SS**PPolyproline II helixtrans-50.8135.7173-170-179-169.800109.3G109 R113G109-E111 PolarHBondContact O-N 3.1Å; E111-R113 PolarHBondContact O-N 2.79Å
112G57.6Low75.9Confident38 Ų38113.2 Ų113.239%0.39260%0.604SS.*SBendtrans-65.746.3-165.800000117.5E110 Y114 K115E110-G112 PolarHBondContact O-N 3Å; G112-Y114 PolarHBondContact O-N 2.73Å; G112-K115 PolarHBondContact O-N 3.34Å
113R57.1Low76.9Confident182 Ų182105.8 Ų105.869%0.68757%0.569SS**THydrogen-bonded Turntrans-61.4-10.5173.5-84.3-173.3176.6-171.4-0.7113.9E111 K115 Q116E111-R113 PolarHBondContact O-N 2.79Å; R113-K115 PolarHBondContact O-N 3.49Å; R113-K115 VanDerWaalsContact O-N 3.16Å; R113-Q116 PolarHBondContact O-N 2.68Å
114Y54.3Low77.9Confident150 Ų150103 Ų10359%0.58854%0.54SS*.Hα-helixtrans-56.2-28.8170.474.2-84.8000111.5G112 Q116 F118G112-Y114 PolarHBondContact O-N 2.73Å; Y114-Q116 PolarHBondContact O-N 3.47Å; Y114-F118 WeakPolarHBondContact O-CD2 3.35Å
115K63.4Low78.6Confident115 Ų11596.2 Ų96.250%0.551%0.506SS..Hα-helixtrans-66-35.7174.3-63.1-61.3-170.9-178.50113.1G112 R113 F118 Q119G112-K115 PolarHBondContact O-N 3.34Å; R113-K115 PolarHBondContact O-N 3.49Å; R113-K115 VanDerWaalsContact O-N 3.16Å; K115-F118 PolarHBondContact O-N 2.89Å; K115-Q119 WeakPolarHBondContact O-CG 3.48Å; K115-Q119 PolarHBondContact O-N 2.74Å
116Q63.9Low79.3Confident88 Ų8891.8 Ų91.841%0.41147%0.474SS..Hα-helixtrans-73.2-31.8-174-166.1175.55.200112.7R113 Y114 F118 Q119 Q148R113-Q116 PolarHBondContact O-N 2.68Å; Y114-Q116 PolarHBondContact O-N 3.47Å; Q116-F118 VanDerWaalsContact C-N 3.33Å; Q116-Q119 PolarHBondContact O-N 2.73Å; Q116-Q148 PolarHBondContact O-NE2 2.86Å
117K70.7Confident79.9Confident173 Ų17395.3 Ų95.375%0.75247%0.471SS*.Hα-helixtrans-71.4-25.7178.1-69.8-173.2179.8179.40113.6
118F80.8Confident80.3Confident138 Ų13889.6 Ų89.661%0.60545%0.449SS*.THydrogen-bonded Turntrans-104.312178.7-67.5-87.6000112.8Y114 K115 Q116Y114-F118 WeakPolarHBondContact O-CD2 3.35Å; K115-F118 PolarHBondContact O-N 2.89Å; Q116-F118 VanDerWaalsContact C-N 3.33Å
119Q89Confident80.8Confident107 Ų10791.6 Ų91.650%0.545%0.447SS..  trans-104.7156169.1-77.9173.5-100109.1K115 Q116 Q148K115-Q119 WeakPolarHBondContact O-CG 3.48Å; K115-Q119 PolarHBondContact O-N 2.74Å; Q116-Q119 PolarHBondContact O-N 2.73Å; Q119-Q148 VanDerWaalsContact O-CG 3.23Å; Q119-Q148 WeakPolarHBondContact O-CG 3.34Å; Q119-Q148 PolarHBondContact O-NE2 2.84Å
120S96.2Very high82.1Confident4 Ų495.2 Ų95.23%0.02845%0.445CS..  trans-142.9120.2173.9177.40000107.2D150 Y166 F240 L241S120-D150 WeakPolarHBondContact CB-OD2 3.47Å; S120-D150 PolarHBondContact OG-OD2 3.13Å; S120-Y166 VanDerWaalsContact CB-OH 3.28Å; S120-Y166 WeakPolarHBondContact CB-OH 3.21Å; S120-Y166 WeakPolarHBondContact OG-CE1 3.38Å; S120-Y166 PolarHBondContact OG-OH 3.07Å; S120-F240 CarbonylContact O-C 3.44Å; S120-F240 VanDerWaalsContact O-CA 3.23Å; S120-F240 WeakPolarHBondContact O-CA 3.37Å; S120-L241 PolarHBondContact O-N 3.49Å
121V97.5Very high83.3Confident47 Ų4788.3 Ų88.329%0.28542%0.417SS..EExtended strand (participates in β ladder)trans-150.9138.6178.857.90000109.5P147 G239 F240V121-P147 HydrophobicContact CG1-CG 3.82Å; V121-P147 WeakPolarHBondContact O-CD 3.32Å; V121-G239 CarbonylContact C-O 3.51Å; V121-G239 WeakPolarHBondContact CA-O 3.32Å; V121-F240 HydrophobicContact CB-CB 4.13Å; V121-F240 HydrophobicContact CG2-CB 4.06Å
122F98.5Very high84.8Confident0 Ų080.7 Ų80.70%038%0.382CS..EExtended strand (participates in β ladder)trans-147.4153.5168.371.4-87.3000111.4V124 T145 N146 Y151 F158 F168 F237 S238 G239F122-V124 HydrophobicContact CD2-CG1 4.26Å; F122-V124 HydrophobicContact CD2-CG2 4.06Å; F122-V124 HydrophobicContact CE2-CG2 4.17Å; F122-T145 CarbonylContact C-O 3.54Å; F122-T145 WeakPolarHBondContact CA-O 3.36Å; F122-N146 HydrophobicContact CB-CB 4.19Å; F122-Y151 HydrophobicContact CD2-CD2 4.12Å; F122-Y151 HydrophobicContact CD2-CG 4.08Å; F122-Y151 AromaticContact CE2-CD2 3.76Å; F122-Y151 HydrophobicContact CE2-CD2 3.76Å; F122-Y151 HydrophobicContact CE2-CG 4.2Å; F122-Y151 HydrophobicContact CZ-CD2 4.15Å; F122-F158 AromaticContact CD1-CD2 3.66Å; F122-F158 HydrophobicContact CD1-CD2 3.66Å; F122-F158 HydrophobicContact CD1-CE2 4.06Å; F122-F158 HydrophobicContact CE1-CB 4.17Å; F122-F158 AromaticContact CE1-CD2 3.28Å; F122-F158 HydrophobicContact CE1-CD2 3.28Å; F122-F158 AromaticContact CE1-CE2 3.87Å; F122-F158 HydrophobicContact CE1-CE2 3.87Å; F122-F158 AromaticContact CE1-CG 3.93Å; F122-F158 HydrophobicContact CE1-CG 3.93Å; F122-F158 HydrophobicContact CZ-CB 4.31Å; F122-F158 HydrophobicContact CZ-CD2 4.22Å; F122-F168 HydrophobicContact CE1-CD1 4.36Å; F122-F168 AromaticContact CE1-CE1 3.96Å; F122-F168 HydrophobicContact CE1-CE1 3.96Å; F122-F168 HydrophobicContact CZ-CD1 4.16Å; F122-F168 HydrophobicContact CZ-CE1 4.11Å; F122-F237 AromaticContact CE2-CD1 3.71Å; F122-F237 HydrophobicContact CE2-CD1 3.71Å; F122-F237 AromaticContact CE2-CE1 3.81Å; F122-F237 HydrophobicContact CE2-CE1 3.81Å; F122-F237 HydrophobicContact CE2-CG 4.11Å; F122-F237 HydrophobicContact CE2-CZ 4.31Å; F122-F237 HydrophobicContact CZ-CD1 4.1Å; F122-F237 AromaticContact CZ-CE1 3.71Å; F122-F237 HydrophobicContact CZ-CE1 3.71Å; F122-F237 HydrophobicContact CZ-CE2 4.4Å; F122-F237 AromaticContact CZ-CZ 3.88Å; F122-F237 HydrophobicContact CZ-CZ 3.88Å; F122-S238 VanDerWaalsContact O-CA 3.23Å; F122-S238 WeakPolarHBondContact O-CA 3.18Å; F122-G239 WeakPolarHBondContact CD1-O 3.5Å; F122-G239 VanDerWaalsContact CE1-CA 3.4Å; F122-G239 PolarHBondContact N-O 2.99Å; F122-G239 PolarHBondContact O-N 3.16Å
123T98.7Very high86.7Confident31 Ų3181.7 Ų81.719%0.1939%0.387CS..EExtended strand (participates in β ladder)trans-138.8121.4162.3-63.50000107.1L144 T145 V236 F237 S238T123-L144 HydrophobicContact CG2-CB 4.13Å; T123-L144 HydrophobicContact CG2-CD1 3.88Å; T123-L144 HydrophobicContact CG2-CG 4.42Å; T123-L144 WeakPolarHBondContact O-CB 3.43Å; T123-L144 PolarHBondContact O-N 2.64Å; T123-T145 PolarHBondContact N-O 3.36Å; T123-T145 PolarHBondContact O-N 3.33Å; T123-T145 VanDerWaalsContact O-N 3.1Å; T123-V236 HydrophobicContact CG2-CG2 3.38Å; T123-F237 WeakPolarHBondContact CA-O 3.34Å; T123-S238 WeakPolarHBondContact CB-OG 3.34Å; T123-S238 WeakPolarHBondContact CG2-OG 3.28Å; T123-S238 PolarHBondContact OG1-OG 2.68Å
124V98.6Very high88.7Confident0 Ų076.1 Ų76.10%037%0.374CS..EExtended strand (participates in β ladder)trans-125.7149.2-179.9-66.40000110.2F122 F140 A142 V143 Y151 V236 F237F122-V124 HydrophobicContact CD2-CG1 4.26Å; F122-V124 HydrophobicContact CD2-CG2 4.06Å; F122-V124 HydrophobicContact CE2-CG2 4.17Å; V124-F140 HydrophobicContact CB-CB 3.8Å; V124-F140 HydrophobicContact CG2-CB 3.44Å; V124-F140 VanDerWaalsContact CG2-CB 3.44Å; V124-F140 HydrophobicContact CG2-CD1 4.27Å; V124-F140 HydrophobicContact CG2-CD2 4.42Å; V124-F140 HydrophobicContact CG2-CG 3.81Å; V124-A142 CarbonylContact C-O 3.54Å; V124-A142 VanDerWaalsContact CA-O 3.27Å; V124-A142 WeakPolarHBondContact CA-O 3.39Å; V124-A142 WeakPolarHBondContact CB-O 3.22Å; V124-V143 HydrophobicContact CG1-CG2 4.18Å; V124-Y151 HydrophobicContact CB-CD1 4.24Å; V124-Y151 HydrophobicContact CB-CE1 4.18Å; V124-Y151 HydrophobicContact CG1-CD1 3.56Å; V124-Y151 HydrophobicContact CG1-CE1 3.97Å; V124-Y151 HydrophobicContact CG1-CG 4.03Å; V124-Y151 HydrophobicContact CG2-CD1 4Å; V124-Y151 HydrophobicContact CG2-CD2 4.16Å; V124-Y151 HydrophobicContact CG2-CE1 3.81Å; V124-Y151 HydrophobicContact CG2-CE2 4.01Å; V124-Y151 HydrophobicContact CG2-CG 4.16Å; V124-V236 WeakPolarHBondContact O-CA 3.26Å; V124-F237 HydrophobicContact CG2-CB 4.12Å; V124-F237 HydrophobicContact CG2-CD1 4.34Å; V124-F237 WeakPolarHBondContact CG2-O 3.37Å; V124-F237 PolarHBondContact N-O 3.18Å; V124-F237 PolarHBondContact O-N 3.33Å
125T98.1Very high90.7Very high21 Ų2174 Ų7413%0.12937%0.373CS..EExtended strand (participates in β ladder)trans-123154.8-179.7590000110.9F140 N141 A142 L144 S235 V236T125-F140 CarbonylContact O-C 3.47Å; T125-N141 PolarHBondContact O-N 3.03Å; T125-A142 PolarHBondContact N-O 3.1Å; T125-A142 PolarHBondContact O-N 2.82Å; T125-A142 WeakPolarHBondContact OG1-CB 3.39Å; T125-L144 HydrophobicContact CG2-CD1 3.58Å; T125-L144 HydrophobicContact CG2-CD2 4.48Å; T125-L144 HydrophobicContact CG2-CG 3.84Å; T125-S235 VanDerWaalsContact CA-O 3.25Å; T125-S235 WeakPolarHBondContact CA-O 3.38Å; T125-V236 HydrophobicContact CG2-CB 4.17Å; T125-V236 HydrophobicContact CG2-CG2 4.1Å
126R97.1Very high92.4Very high29 Ų2970.1 Ų70.111%0.10936%0.361CS..EExtended strand (participates in β ladder)trans-100.898.1176.1-172.7171.6-174.2-78-7108.9T128 Q130 P131 F140 N141 S235R126-T128 HydrophobicContact CG-CG2 3.93Å; R126-T128 PolarHBondContact O-N 2.88Å; R126-Q130 PolarHBondContact NH1-O 3.18Å; R126-Q130 PolarHBondContact NH2-O 3.48Å; R126-P131 PolarHBondContact NH2-O 2.82Å; R126-F140 HydrophobicContact CB-CD1 3.88Å; R126-F140 HydrophobicContact CB-CE1 4.23Å; R126-F140 HydrophobicContact CB-CG 4.47Å; R126-N141 WeakPolarHBondContact CA-OD1 3.5Å; R126-S235 PolarHBondContact N-O 3.28Å
127Q93.1Very high94Very high144 Ų14468 Ų6867%0.67335%0.352SS*.  trans-100.676.8-177.1-165.2175.67.200109.7N141 A142Q127-N141 PolarHBondContact N-OD1 3.3Å; Q127-N141 PolarHBondContact O-ND2 2.83Å; Q127-N141 VanDerWaalsContact O-ND2 3.11Å; Q127-A142 HydrophobicContact CB-CB 4.07Å
128T91.8Very high95.4Very high59 Ų5959.8 Ų59.836%0.36232%0.316SS..  trans-158.8144.5173.6175.50000110.2R126 Q130R126-T128 HydrophobicContact CG-CG2 3.93Å; R126-T128 PolarHBondContact O-N 2.88Å; T128-Q130 PolarHBondContact OG1-N 3.45Å
129H90Very high96.2Very high161 Ų16159.8 Ų59.875%0.74531%0.312SS*.SBendtrans-80.6-15.1177.7-75.3-79.2000113.8V228H129-V228 WeakPolarHBondContact O-CG2 3.36Å
130Q93.4Very high96.6Very high148 Ų14854.9 Ų54.969%0.69229%0.289SS*.SBendtrans-85.2137.5178.2-67.3177.6-9.400109.4R126 T128R126-Q130 PolarHBondContact NH1-O 3.18Å; R126-Q130 PolarHBondContact NH2-O 3.48Å; T128-Q130 PolarHBondContact OG1-N 3.45Å
131P94.3Very high96.7Very high48 Ų4858.5 Ų58.531%0.31231%0.308SS..PPolyproline II helixtrans-69.7165.417331.9-35.5000111.2R126 Y225 V228R126-P131 PolarHBondContact NH2-O 2.82Å; P131-Y225 HydrophobicContact CB-CD2 3.98Å; P131-Y225 HydrophobicContact CB-CE2 4.24Å; P131-Y225 HydrophobicContact CG-CD2 4.18Å; P131-Y225 HydrophobicContact CG-CE2 3.93Å; P131-V228 HydrophobicContact CB-CG2 4.12Å; P131-V228 HydrophobicContact CG-CG2 4.22Å
132P97.2Very high96.6Very high11 Ų1157.1 Ų57.17%0.07130%0.302CS..PPolyproline II helixtrans-59.1162.4167.4-18.829.7000111.9I138 V221 Y225 M227P132-I138 HydrophobicContact CG-CG1 4.14Å; P132-I138 HydrophobicContact CG-CG2 4.43Å; P132-V221 HydrophobicContact CB-CG2 4.01Å; P132-V221 HydrophobicContact CG-CG1 4.34Å; P132-Y225 WeakPolarHBondContact CD-O 3.44Å; P132-Y225 WeakPolarHBondContact O-CD2 3.35Å; P132-M227 HydrophobicContact CG-CG 4.15Å; P132-M227 HydrophobicContact CG-SD 3.53Å; P132-M227 VanDerWaalsContact CG-SD 3.53Å
133A97.7Very high96.6Very high59 Ų5960.6 Ų60.649%0.48832%0.323SS..PPolyproline II helixtrans-68.3149.3168.200000110.2S136 V221A133-S136 PolarHBondContact N-OG 3.06Å; A133-S136 WeakPolarHBondContact O-CB 3.38Å; A133-S136 PolarHBondContact O-N 3.13Å; A133-S136 PolarHBondContact O-OG 2.72Å; A133-V221 VanDerWaalsContact O-CG2 3.25Å; A133-V221 WeakPolarHBondContact O-CG2 3.29Å
134P97.8Very high96.6Very high65 Ų6564.9 Ų64.942%0.42234%0.344SS..THydrogen-bonded Turntrans-55.6144.3172.9-2130.8000111.5S136 Y225P134-S136 PolarHBondContact O-N 2.86Å; P134-Y225 HydrophobicContact CB-CD1 4.02Å; P134-Y225 HydrophobicContact CB-CE1 4.37Å; P134-Y225 HydrophobicContact CG-CD1 3.77Å; P134-Y225 HydrophobicContact CG-CE1 3.7Å; P134-Y225 HydrophobicContact CG-CE2 4.48Å; P134-Y225 HydrophobicContact CG-CG 4.22Å
135N98Very high96.5Very high106 Ų10667.6 Ų67.657%0.56736%0.36SS*.THydrogen-bonded Turntrans54.236.9177.8-58.9-63.4000114.4V221 N222 D223N135-V221 VanDerWaalsContact CA-O 3.24Å; N135-V221 WeakPolarHBondContact CA-O 3.11Å; N135-N222 PolarHBondContact N-O 3.4Å; N135-N222 WeakPolarHBondContact OD1-CA 3.27Å; N135-D223 PolarHBondContact ND2-OD1 2.92Å
136S98.4Very high96.5Very high33 Ų3368 Ų6823%0.23136%0.362CS..  trans-126.4164.2-175.879.70000113.3A133 P134 A220 V221A133-S136 PolarHBondContact N-OG 3.06Å; A133-S136 WeakPolarHBondContact O-CB 3.38Å; A133-S136 PolarHBondContact O-N 3.13Å; A133-S136 PolarHBondContact O-OG 2.72Å; P134-S136 PolarHBondContact O-N 2.86Å; S136-A220 CarbonylContact O-C 3.55Å; S136-A220 VanDerWaalsContact O-CA 3.23Å; S136-A220 WeakPolarHBondContact O-CA 3.29Å; S136-A220 WeakPolarHBondContact O-CB 3.34Å; S136-V221 PolarHBondContact N-O 2.94Å; S136-V221 PolarHBondContact O-N 2.85Å
137L98.4Very high96.3Very high44 Ų4469.7 Ų69.723%0.2338%0.377CS..BIsolated β-bridgetrans-66.3136.2171.5-178.7153.3000110.4R139 K157 W218L137-R139 HydrophobicContact CD2-CG 3.65Å; L137-R139 PolarHBondContact O-N 3.08Å; L137-K157 HydrophobicContact CD1-CG 3.83Å; L137-W218 HydrophobicContact CD1-CB 3.86Å; L137-W218 VanDerWaalsContact CD1-CD1 3.47Å; L137-W218 HydrophobicContact CD1-CD2 4.35Å; L137-W218 HydrophobicContact CD1-CG 3.63Å; L137-W218 HydrophobicContact CG-CB 4.34Å; L137-W218 HydrophobicContact CG-CG 4.23Å
138I98.4Very high96.3Very high1 Ų164.7 Ų64.71%0.00535%0.353CS..  trans-82.9112.7174.1-59.4162.1000109P132 F140 V180 L219 V221 M227P132-I138 HydrophobicContact CG-CG1 4.14Å; P132-I138 HydrophobicContact CG-CG2 4.43Å; I138-F140 HydrophobicContact CB-CE2 4.1Å; I138-F140 HydrophobicContact CG2-CD2 4.05Å; I138-F140 HydrophobicContact CG2-CE2 3.46Å; I138-F140 VanDerWaalsContact CG2-CE2 3.46Å; I138-F140 HydrophobicContact CG2-CZ 3.81Å; I138-V180 HydrophobicContact CD1-CG1 4.02Å; I138-V180 HydrophobicContact CD1-CG2 4.21Å; I138-L219 HydrophobicContact CB-CB 4.29Å; I138-L219 HydrophobicContact CD1-CB 3.89Å; I138-L219 PolarHBondContact N-O 3.14Å; I138-V221 HydrophobicContact CD1-CG1 3.7Å; I138-V221 HydrophobicContact CG1-CG1 3.75Å; I138-M227 HydrophobicContact CB-SD 4.47Å; I138-M227 HydrophobicContact CD1-SD 3.87Å; I138-M227 HydrophobicContact CG1-SD 3.94Å; I138-M227 HydrophobicContact CG2-CE 3.9Å; I138-M227 HydrophobicContact CG2-SD 3.63Å
139R97.9Very high96.6Very high138 Ų13863.8 Ų63.852%0.52136%0.356SS..  trans-88.5116.9173.8-67.8179.6169.5-129.9-10.1110.9L137 S154L137-R139 HydrophobicContact CD2-CG 3.65Å; L137-R139 PolarHBondContact O-N 3.08Å; R139-S154 PolarHBondContact NH1-O 2.8Å; R139-S154 PolarHBondContact NH2-O 2.81Å; R139-S154 VanDerWaalsContact NH2-O 3.14Å
140F98.3Very high96.9Very high3 Ų356.3 Ų56.31%0.01332%0.321CS..  trans-89.9114.4164.7-59.9-102.2000108.8V124 T125 R126 I138 Y151 L219 F237V124-F140 HydrophobicContact CB-CB 3.8Å; V124-F140 HydrophobicContact CG2-CB 3.44Å; V124-F140 VanDerWaalsContact CG2-CB 3.44Å; V124-F140 HydrophobicContact CG2-CD1 4.27Å; V124-F140 HydrophobicContact CG2-CD2 4.42Å; V124-F140 HydrophobicContact CG2-CG 3.81Å; T125-F140 CarbonylContact O-C 3.47Å; R126-F140 HydrophobicContact CB-CD1 3.88Å; R126-F140 HydrophobicContact CB-CE1 4.23Å; R126-F140 HydrophobicContact CB-CG 4.47Å; I138-F140 HydrophobicContact CB-CE2 4.1Å; I138-F140 HydrophobicContact CG2-CD2 4.05Å; I138-F140 HydrophobicContact CG2-CE2 3.46Å; I138-F140 VanDerWaalsContact CG2-CE2 3.46Å; I138-F140 HydrophobicContact CG2-CZ 3.81Å; F140-Y151 HydrophobicContact CB-CE1 4.24Å; F140-Y151 WeakPolarHBondContact CB-OH 3.31Å; F140-Y151 WeakPolarHBondContact CD2-OH 3.23Å; F140-Y151 PolarHBondContact N-OH 2.85Å; F140-Y151 VanDerWaalsContact N-OH 3.13Å; F140-Y151 WeakPolarHBondContact O-CE1 3.22Å; F140-L219 HydrophobicContact CE2-CB 4.45Å; F140-L219 HydrophobicContact CE2-CD1 3.89Å; F140-L219 HydrophobicContact CZ-CD1 3.93Å; F140-F237 HydrophobicContact CD1-CB 4Å; F140-F237 HydrophobicContact CD2-CB 4.05Å; F140-F237 HydrophobicContact CD2-CD1 4.28Å; F140-F237 HydrophobicContact CE1-CB 3.68Å; F140-F237 HydrophobicContact CE2-CB 3.73Å; F140-F237 HydrophobicContact CE2-CD1 4.22Å; F140-F237 HydrophobicContact CE2-CG 4.27Å; F140-F237 HydrophobicContact CG-CB 4.2Å; F140-F237 HydrophobicContact CZ-CB 3.54Å; F140-F237 HydrophobicContact CZ-CG 4.45Å
141N96.8Very high97.2Very high81 Ų8149.4 Ų49.443%0.43329%0.289SS..  trans-98.8-13.7-16860-50.5000114.1T125 R126 Q127T125-N141 PolarHBondContact O-N 3.03Å; R126-N141 WeakPolarHBondContact CA-OD1 3.5Å; Q127-N141 PolarHBondContact N-OD1 3.3Å; Q127-N141 PolarHBondContact O-ND2 2.83Å; Q127-N141 VanDerWaalsContact O-ND2 3.11Å
142A97.4Very high97.4Very high17 Ų1750 Ų5014%0.1429%0.289CS..EExtended strand (participates in β ladder)trans-114.5142.5-179.900000110.8V124 T125 Q127V124-A142 CarbonylContact C-O 3.54Å; V124-A142 VanDerWaalsContact CA-O 3.27Å; V124-A142 WeakPolarHBondContact CA-O 3.39Å; V124-A142 WeakPolarHBondContact CB-O 3.22Å; T125-A142 PolarHBondContact N-O 3.1Å; T125-A142 PolarHBondContact O-N 2.82Å; T125-A142 WeakPolarHBondContact OG1-CB 3.39Å; Q127-A142 HydrophobicContact CB-CB 4.07Å
143V98.3Very high97.4Very high73 Ų7352 Ų5244%0.44230%0.301SS..EExtended strand (participates in β ladder)trans-109.2124.4-177.6177.90000109.2V124 N146 T153V124-V143 HydrophobicContact CG1-CG2 4.18Å; V143-N146 HydrophobicContact CG1-CB 3.49Å; V143-N146 VanDerWaalsContact CG1-CB 3.49Å; V143-T153 HydrophobicContact CG2-CG2 3.63Å
144L97.6Very high97.4Very high121 Ų12152.6 Ų52.663%0.63430%0.302SS*.EExtended strand (participates in β ladder)trans-90.5-43.7167.2-63-175.7000110.9T123 T125T123-L144 HydrophobicContact CG2-CB 4.13Å; T123-L144 HydrophobicContact CG2-CD1 3.88Å; T123-L144 HydrophobicContact CG2-CG 4.42Å; T123-L144 WeakPolarHBondContact O-CB 3.43Å; T123-L144 PolarHBondContact O-N 2.64Å; T125-L144 HydrophobicContact CG2-CD1 3.58Å; T125-L144 HydrophobicContact CG2-CD2 4.48Å; T125-L144 HydrophobicContact CG2-CG 3.84Å
145T97Very high97.4Very high57 Ų5752.1 Ų52.135%0.3530%0.298SS..EExtended strand (participates in β ladder)trans-150.3137169.6-175.20000109.2F122 T123 P147F122-T145 CarbonylContact C-O 3.54Å; F122-T145 WeakPolarHBondContact CA-O 3.36Å; T123-T145 PolarHBondContact N-O 3.36Å; T123-T145 PolarHBondContact O-N 3.33Å; T123-T145 VanDerWaalsContact O-N 3.1Å; T145-P147 WeakPolarHBondContact OG1-CD 3.2Å
146N97.2Very high97.4Very high30 Ų3047 Ų4716%0.1627%0.271CS..  trans-163.757.6175.2-173.919.6000110F122 V143 Q148 G149 D150 Y151F122-N146 HydrophobicContact CB-CB 4.19Å; V143-N146 HydrophobicContact CG1-CB 3.49Å; V143-N146 VanDerWaalsContact CG1-CB 3.49Å; N146-Q148 PolarHBondContact O-N 3.36Å; N146-Q148 VanDerWaalsContact O-N 3.13Å; N146-G149 PolarHBondContact O-N 3.06Å; N146-G149 WeakPolarHBondContact OD1-CA 3.22Å; N146-G149 PolarHBondContact OD1-N 2.98Å; N146-D150 PolarHBondContact OD1-N 3.33Å; N146-Y151 PolarHBondContact ND2-O 2.66Å; N146-Y151 PolarHBondContact OD1-N 2.99Å
147P94.1Very high97.4Very high65 Ų6547.9 Ų47.942%0.42227%0.27SS..THydrogen-bonded Turntrans-59.9-28-16816.3-27000114.2V121 T145V121-P147 HydrophobicContact CG1-CG 3.82Å; V121-P147 WeakPolarHBondContact O-CD 3.32Å; T145-P147 WeakPolarHBondContact OG1-CD 3.2Å
148Q93.5Very high97.5Very high39 Ų3945.8 Ų45.818%0.18226%0.259CS..THydrogen-bonded Turntrans-90.6-11.8177.2-66.480.517.600113.8Q116 Q119 N146 D150 K161Q116-Q148 PolarHBondContact O-NE2 2.86Å; Q119-Q148 VanDerWaalsContact O-CG 3.23Å; Q119-Q148 WeakPolarHBondContact O-CG 3.34Å; Q119-Q148 PolarHBondContact O-NE2 2.84Å; N146-Q148 PolarHBondContact O-N 3.36Å; N146-Q148 VanDerWaalsContact O-N 3.13Å; Q148-D150 VanDerWaalsContact C-N 3.31Å; Q148-D150 WeakPolarHBondContact CB-OD1 3.23Å; Q148-K161 PolarHBondContact O-NZ 3.37Å
149G96.1Very high97.5Very high40 Ų4048.1 Ų48.141%0.41227%0.274SS..  trans63.538.4-172.800000112N146 K161N146-G149 PolarHBondContact O-N 3.06Å; N146-G149 WeakPolarHBondContact OD1-CA 3.22Å; N146-G149 PolarHBondContact OD1-N 2.98Å; G149-K161 VanDerWaalsContact C-NZ 3.31Å; G149-K161 PolarHBondContact O-NZ 3.14Å
150D97.8Very high97.5Very high4 Ų441.6 Ų41.62%0.02125%0.25CC..  trans-83.3-29.1-178.2-66.5-15000111.6S120 N146 Q148 F158 T159 K161S120-D150 WeakPolarHBondContact CB-OD2 3.47Å; S120-D150 PolarHBondContact OG-OD2 3.13Å; N146-D150 PolarHBondContact OD1-N 3.33Å; Q148-D150 VanDerWaalsContact C-N 3.31Å; Q148-D150 WeakPolarHBondContact CB-OD1 3.23Å; D150-F158 HydrophobicContact CB-CD2 3.8Å; D150-F158 HydrophobicContact CB-CE2 3.46Å; D150-F158 VanDerWaalsContact CB-CE2 3.46Å; D150-F158 HydrophobicContact CB-CZ 4.38Å; D150-F158 CarbonylContact O-C 3.44Å; D150-F158 VanDerWaalsContact O-CA 3.32Å; D150-F158 WeakPolarHBondContact O-CA 3.37Å; D150-T159 PolarHBondContact O-N 2.79Å; D150-K161 WeakPolarHBondContact OD1-CD 3.36Å; D150-K161 VanDerWaalsContact OD1-CE 3.32Å; D150-K161 WeakPolarHBondContact OD1-CE 3.45Å; D150-K161 WeakPolarHBondContact OD1-CG 3.32Å; D150-K161 IonicContact OD1-NZ 3.78Å; D150-K161 PolarHBondContact OD1-NZ 2.67Å
151Y98.7Very high97.4Very high3 Ų346.7 Ų46.71%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-90124.7164.3-174.6-82.5000110F122 V124 F140 N146 T153 G156 F158 F237F122-Y151 HydrophobicContact CD2-CD2 4.12Å; F122-Y151 HydrophobicContact CD2-CG 4.08Å; F122-Y151 AromaticContact CE2-CD2 3.76Å; F122-Y151 HydrophobicContact CE2-CD2 3.76Å; F122-Y151 HydrophobicContact CE2-CG 4.2Å; F122-Y151 HydrophobicContact CZ-CD2 4.15Å; V124-Y151 HydrophobicContact CB-CD1 4.24Å; V124-Y151 HydrophobicContact CB-CE1 4.18Å; V124-Y151 HydrophobicContact CG1-CD1 3.56Å; V124-Y151 HydrophobicContact CG1-CE1 3.97Å; V124-Y151 HydrophobicContact CG1-CG 4.03Å; V124-Y151 HydrophobicContact CG2-CD1 4Å; V124-Y151 HydrophobicContact CG2-CD2 4.16Å; V124-Y151 HydrophobicContact CG2-CE1 3.81Å; V124-Y151 HydrophobicContact CG2-CE2 4.01Å; V124-Y151 HydrophobicContact CG2-CG 4.16Å; F140-Y151 HydrophobicContact CB-CE1 4.24Å; F140-Y151 WeakPolarHBondContact CB-OH 3.31Å; F140-Y151 WeakPolarHBondContact CD2-OH 3.23Å; F140-Y151 PolarHBondContact N-OH 2.85Å; F140-Y151 VanDerWaalsContact N-OH 3.13Å; F140-Y151 WeakPolarHBondContact O-CE1 3.22Å; N146-Y151 PolarHBondContact ND2-O 2.66Å; N146-Y151 PolarHBondContact OD1-N 2.99Å; Y151-T153 HydrophobicContact CD1-CG2 4.13Å; Y151-T153 HydrophobicContact CE1-CG2 4.02Å; Y151-G156 WeakPolarHBondContact OH-CA 3.38Å; Y151-F158 HydrophobicContact CD2-CB 4.29Å; Y151-F237 HydrophobicContact CD2-CD1 4.25Å; Y151-F237 HydrophobicContact CD2-CE1 4.21Å; Y151-F237 AromaticContact CE2-CD1 3.82Å; Y151-F237 HydrophobicContact CE2-CD1 3.82Å; Y151-F237 AromaticContact CE2-CE1 3.98Å; Y151-F237 HydrophobicContact CE2-CE1 3.98Å
152D98.5Very high97.3Very high60 Ų6043.6 Ų43.632%0.32126%0.256SS..EExtended strand (participates in β ladder)trans-102.2112.7177.5173.98.3000110.1S154 T155 G156 K157D152-S154 VanDerWaalsContact CG-OG 3.24Å; D152-S154 PolarHBondContact O-N 3.33Å; D152-S154 WeakPolarHBondContact OD1-CA 3.28Å; D152-S154 VanDerWaalsContact OD1-CB 3.27Å; D152-S154 WeakPolarHBondContact OD1-CB 3.32Å; D152-S154 PolarHBondContact OD1-N 2.52Å; D152-S154 PolarHBondContact OD1-OG 3.24Å; D152-S154 PolarHBondContact OD2-OG 2.9Å; D152-S154 VanDerWaalsContact OD2-OG 3.1Å; D152-T155 WeakPolarHBondContact CB-OG1 3.47Å; D152-T155 VanDerWaalsContact CG-OG1 3.27Å; D152-T155 PolarHBondContact O-N 3.47Å; D152-T155 PolarHBondContact O-OG1 3.29Å; D152-T155 WeakPolarHBondContact OD2-CG2 3.38Å; D152-T155 PolarHBondContact OD2-OG1 3.17Å; D152-G156 WeakPolarHBondContact O-CA 3.34Å; D152-G156 PolarHBondContact O-N 2.87Å; D152-K157 PolarHBondContact N-O 2.87Å; D152-K157 PolarHBondContact O-N 2.83Å
153T98.2Very high97.3Very high52 Ų5244.6 Ų44.632%0.31926%0.261SS..THydrogen-bonded Turntrans-69.2-21.1-179.456.20000113.1V143 Y151V143-T153 HydrophobicContact CG2-CG2 3.63Å; Y151-T153 HydrophobicContact CD1-CG2 4.13Å; Y151-T153 HydrophobicContact CE1-CG2 4.02Å
154S97.7Very high97.2Very high73 Ų7341.1 Ų41.151%0.5124%0.24SC..THydrogen-bonded Turntrans-76.6-27.2178.578.80000112.5R139 D152R139-S154 PolarHBondContact NH1-O 2.8Å; R139-S154 PolarHBondContact NH2-O 2.81Å; R139-S154 VanDerWaalsContact NH2-O 3.14Å; D152-S154 VanDerWaalsContact CG-OG 3.24Å; D152-S154 PolarHBondContact O-N 3.33Å; D152-S154 WeakPolarHBondContact OD1-CA 3.28Å; D152-S154 VanDerWaalsContact OD1-CB 3.27Å; D152-S154 WeakPolarHBondContact OD1-CB 3.32Å; D152-S154 PolarHBondContact OD1-N 2.52Å; D152-S154 PolarHBondContact OD1-OG 3.24Å; D152-S154 PolarHBondContact OD2-OG 2.9Å; D152-S154 VanDerWaalsContact OD2-OG 3.1Å
155T97.8Very high97.3Very high54 Ų5437.5 Ų37.533%0.33122%0.221SC..THydrogen-bonded Turntrans-105.1-27.8177.856.40000112.5D152D152-T155 WeakPolarHBondContact CB-OG1 3.47Å; D152-T155 VanDerWaalsContact CG-OG1 3.27Å; D152-T155 PolarHBondContact O-N 3.47Å; D152-T155 PolarHBondContact O-OG1 3.29Å; D152-T155 WeakPolarHBondContact OD2-CG2 3.38Å; D152-T155 PolarHBondContact OD2-OG1 3.17Å
156G98.1Very high97.3Very high0 Ų034.8 Ų34.80%020%0.204CC..THydrogen-bonded Turntrans79.923.5-174.100000113.4Y151 D152Y151-G156 WeakPolarHBondContact OH-CA 3.38Å; D152-G156 WeakPolarHBondContact O-CA 3.34Å; D152-G156 PolarHBondContact O-N 2.87Å
157K98.7Very high97.4Very high50 Ų5037 Ų3722%0.21721%0.211CC..EExtended strand (participates in β ladder)trans-122.8144.7-175.1-61.9-172.9178.4-1780111.5L137 D152 E216 W218L137-K157 HydrophobicContact CD1-CG 3.83Å; D152-K157 PolarHBondContact N-O 2.87Å; D152-K157 PolarHBondContact O-N 2.83Å; K157-E216 HydrophobicContact CD-CB 4.5Å; K157-E216 HydrophobicContact CD-CG 4.41Å; K157-E216 WeakPolarHBondContact CD-OE1 3.44Å; K157-E216 VanDerWaalsContact NZ-CD 3.3Å; K157-E216 IonicContact NZ-OE1 3.18Å; K157-E216 PolarHBondContact NZ-OE1 2.96Å; K157-E216 IonicContact NZ-OE2 2.68Å; K157-E216 PolarHBondContact NZ-OE2 2.81Å; K157-W218 HydrophobicContact CD-CE3 4.35Å; K157-W218 HydrophobicContact CG-CB 4.11Å
158F98.8Very high97.6Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-86136.5160.5169.8-90.2000109.6F122 D150 Y151 C160 Y166 F168 L211 E216 V217F122-F158 AromaticContact CD1-CD2 3.66Å; F122-F158 HydrophobicContact CD1-CD2 3.66Å; F122-F158 HydrophobicContact CD1-CE2 4.06Å; F122-F158 HydrophobicContact CE1-CB 4.17Å; F122-F158 AromaticContact CE1-CD2 3.28Å; F122-F158 HydrophobicContact CE1-CD2 3.28Å; F122-F158 AromaticContact CE1-CE2 3.87Å; F122-F158 HydrophobicContact CE1-CE2 3.87Å; F122-F158 AromaticContact CE1-CG 3.93Å; F122-F158 HydrophobicContact CE1-CG 3.93Å; F122-F158 HydrophobicContact CZ-CB 4.31Å; F122-F158 HydrophobicContact CZ-CD2 4.22Å; D150-F158 HydrophobicContact CB-CD2 3.8Å; D150-F158 HydrophobicContact CB-CE2 3.46Å; D150-F158 VanDerWaalsContact CB-CE2 3.46Å; D150-F158 HydrophobicContact CB-CZ 4.38Å; D150-F158 CarbonylContact O-C 3.44Å; D150-F158 VanDerWaalsContact O-CA 3.32Å; D150-F158 WeakPolarHBondContact O-CA 3.37Å; Y151-F158 HydrophobicContact CD2-CB 4.29Å; F158-C160 HydrophobicContact CE1-CB 3.97Å; F158-C160 HydrophobicContact CZ-CB 4.47Å; F158-Y166 HydrophobicContact CE1-CE1 4.32Å; F158-Y166 HydrophobicContact CE2-CE1 4.14Å; F158-Y166 HydrophobicContact CZ-CD1 4Å; F158-Y166 AromaticContact CZ-CE1 3.46Å; F158-Y166 HydrophobicContact CZ-CE1 3.46Å; F158-Y166 VanDerWaalsContact CZ-CE1 3.46Å; F158-Y166 AromaticContact CZ-CZ 3.84Å; F158-F168 HydrophobicContact CB-CE1 4.42Å; F158-F168 AromaticContact CD1-CE1 3.89Å; F158-F168 HydrophobicContact CD1-CE1 3.89Å; F158-F168 AromaticContact CD1-CZ 3.74Å; F158-F168 HydrophobicContact CD1-CZ 3.74Å; F158-F168 HydrophobicContact CD2-CE1 4.39Å; F158-F168 HydrophobicContact CE1-CE1 4.23Å; F158-F168 AromaticContact CE1-CZ 3.76Å; F158-F168 HydrophobicContact CE1-CZ 3.76Å; F158-F168 AromaticContact CG-CE1 3.97Å; F158-F168 HydrophobicContact CG-CE1 3.97Å; F158-F168 HydrophobicContact CG-CZ 4.29Å; F158-F168 HydrophobicContact CZ-CZ 4.31Å; F158-L211 HydrophobicContact CD1-CD1 4.31Å; F158-L211 HydrophobicContact CE1-CD1 3.66Å; F158-E216 CarbonylContact O-C 3.51Å; F158-E216 WeakPolarHBondContact O-CA 3.46Å; F158-V217 HydrophobicContact CB-CB 4.34Å; F158-V217 WeakPolarHBondContact CB-O 3.31Å; F158-V217 HydrophobicContact CD1-CB 4.07Å; F158-V217 HydrophobicContact CD1-CG2 4.3Å; F158-V217 PolarHBondContact N-O 2.86Å; F158-V217 PolarHBondContact O-N 3.41Å
159T98.6Very high97.9Very high50 Ų5033.1 Ų33.131%0.30719%0.188SC..EExtended strand (participates in β ladder)trans-122.5122.6172.4-54.20000109.9D150 K161D150-T159 PolarHBondContact O-N 2.79Å; T159-K161 PolarHBondContact O-N 2.78Å
160C98.2Very high98Very high2 Ų231.4 Ų31.41%0.01417%0.169CC..  trans-67.2122.3-178.1179.70000111.6F158 V162 L211 Q212 G214 E215F158-C160 HydrophobicContact CE1-CB 3.97Å; F158-C160 HydrophobicContact CZ-CB 4.47Å; C160-V162 PolarHBondContact SG-O 3.36Å; C160-L211 HydrophobicContact CB-CB 4.14Å; C160-L211 HydrophobicContact CB-CD1 4.23Å; C160-Q212 WeakPolarHBondContact CB-O 3.47Å; C160-Q212 PolarHBondContact SG-O 3.11Å; C160-G214 PolarHBondContact O-N 2.87Å; C160-E215 PolarHBondContact N-O 2.74Å
161K96.3Very high98Very high109 Ų10935.3 Ų35.347%0.47419%0.187SC..SBendtrans-102.7-28.7170.8-61.9-170.5-169.61230113.5Q148 G149 D150 T159Q148-K161 PolarHBondContact O-NZ 3.37Å; G149-K161 VanDerWaalsContact C-NZ 3.31Å; G149-K161 PolarHBondContact O-NZ 3.14Å; D150-K161 WeakPolarHBondContact OD1-CD 3.36Å; D150-K161 VanDerWaalsContact OD1-CE 3.32Å; D150-K161 WeakPolarHBondContact OD1-CE 3.45Å; D150-K161 WeakPolarHBondContact OD1-CG 3.32Å; D150-K161 IonicContact OD1-NZ 3.78Å; D150-K161 PolarHBondContact OD1-NZ 2.67Å; T159-K161 PolarHBondContact O-N 2.78Å
162V95.6Very high98Very high16 Ų1635.2 Ų35.210%0.09719%0.187CC..SBendtrans-117.7114179.8-176.30000108C160 Y166 L241 P244C160-V162 PolarHBondContact SG-O 3.36Å; V162-Y166 VanDerWaalsContact O-CE2 3.26Å; V162-Y166 WeakPolarHBondContact O-CE2 3.29Å; V162-Y166 PolarHBondContact O-OH 2.81Å; V162-L241 HydrophobicContact CB-CD2 3.9Å; V162-L241 HydrophobicContact CG1-CD2 3.48Å; V162-L241 VanDerWaalsContact CG1-CD2 3.48Å; V162-P244 HydrophobicContact CG1-CB 4.43Å
163P97Very high97.9Very high38 Ų3832.4 Ų32.425%0.24717%0.173CC..  trans-66.2148-179.630.3-32.8000109.8L211 V213 D245P163-L211 WeakPolarHBondContact CA-O 3.36Å; P163-V213 HydrophobicContact CB-CG2 4.23Å; P163-V213 HydrophobicContact CG-CG2 4.04Å; P163-D245 HydrophobicContact CB-CB 4.09Å; P163-D245 HydrophobicContact CG-CB 4.18Å; P163-D245 PolarHBondContact O-N 2.79Å
164G96.7Very high97.9Very high0 Ų030 Ų300%016%0.158CC..EExtended strand (participates in β ladder)trans154.4-176.2-176.600000114.7Y166 R210 L211 F243 D245G164-Y166 WeakPolarHBondContact O-CD2 3.18Å; G164-R210 CarbonylContact O-C 3.58Å; G164-R210 VanDerWaalsContact O-CA 3.29Å; G164-R210 WeakPolarHBondContact O-CA 3.36Å; G164-L211 PolarHBondContact N-O 3.32Å; G164-L211 PolarHBondContact O-N 2.04Å; G164-F243 CarbonylContact C-O 3.48Å; G164-F243 WeakPolarHBondContact CA-O 3.39Å; G164-D245 WeakPolarHBondContact CA-OD1 3.38Å
165L98.2Very high97.8Very high45 Ų4528.1 Ų28.124%0.23614%0.143CC..EExtended strand (participates in β ladder)trans-84120.2173.7-170.972.9000110.9L208 R210 L242 F243L165-L208 HydrophobicContact CD1-CB 4.38Å; L165-L208 HydrophobicContact CD2-CD2 4.38Å; L165-L208 HydrophobicContact CG-CD2 4.48Å; L165-R210 HydrophobicContact CD1-CB 4.12Å; L165-L242 HydrophobicContact CD2-CD1 4.4Å; L165-L242 WeakPolarHBondContact O-CB 3.24Å; L165-L242 PolarHBondContact O-N 3.4Å; L165-F243 HydrophobicContact CB-CB 4.22Å; L165-F243 HydrophobicContact CB-CD2 4.03Å; L165-F243 HydrophobicContact CD2-CD2 3.54Å; L165-F243 HydrophobicContact CD2-CE2 3.86Å; L165-F243 HydrophobicContact CG-CD2 4.38Å; L165-F243 PolarHBondContact N-O 3.35Å; L165-F243 PolarHBondContact O-N 2.72Å
166Y98.6Very high97.7Very high0 Ų027.6 Ų27.60%014%0.144CC..EExtended strand (participates in β ladder)trans-108148.6176.9-77.1-99.4000111.8S120 F158 V162 G164 F168 L208 L209 L211 F240 L241S120-Y166 VanDerWaalsContact CB-OH 3.28Å; S120-Y166 WeakPolarHBondContact CB-OH 3.21Å; S120-Y166 WeakPolarHBondContact OG-CE1 3.38Å; S120-Y166 PolarHBondContact OG-OH 3.07Å; F158-Y166 HydrophobicContact CE1-CE1 4.32Å; F158-Y166 HydrophobicContact CE2-CE1 4.14Å; F158-Y166 HydrophobicContact CZ-CD1 4Å; F158-Y166 AromaticContact CZ-CE1 3.46Å; F158-Y166 HydrophobicContact CZ-CE1 3.46Å; F158-Y166 VanDerWaalsContact CZ-CE1 3.46Å; F158-Y166 AromaticContact CZ-CZ 3.84Å; V162-Y166 VanDerWaalsContact O-CE2 3.26Å; V162-Y166 WeakPolarHBondContact O-CE2 3.29Å; V162-Y166 PolarHBondContact O-OH 2.81Å; G164-Y166 WeakPolarHBondContact O-CD2 3.18Å; Y166-F168 VanDerWaalsContact CB-CE2 3.44Å; Y166-F168 HydrophobicContact CD1-CZ 4.15Å; Y166-F168 HydrophobicContact CG-CE2 4.17Å; Y166-F168 HydrophobicContact CG-CZ 4.19Å; Y166-L208 CarbonylContact O-C 3.54Å; Y166-L208 VanDerWaalsContact O-CA 3.28Å; Y166-L208 WeakPolarHBondContact O-CA 3.23Å; Y166-L209 PolarHBondContact N-O 2.92Å; Y166-L209 PolarHBondContact O-N 3.43Å; Y166-L211 HydrophobicContact CD2-CB 4.06Å; Y166-L211 HydrophobicContact CD2-CD1 3.89Å; Y166-L211 HydrophobicContact CD2-CG 4.02Å; Y166-L211 HydrophobicContact CE2-CB 4.29Å; Y166-L211 HydrophobicContact CE2-CD1 4.35Å; Y166-L211 HydrophobicContact CG-CD1 4.14Å; Y166-F240 WeakPolarHBondContact CA-O 3.33Å; Y166-L241 HydrophobicContact CD1-CB 4.16Å; Y166-L241 HydrophobicContact CD2-CD1 3.96Å; Y166-L241 HydrophobicContact CE1-CB 3.71Å; Y166-L241 HydrophobicContact CE1-CD1 4.45Å; Y166-L241 HydrophobicContact CE2-CB 4.39Å; Y166-L241 HydrophobicContact CE2-CD1 3.61Å
167Y98.7Very high97.6Very high77 Ų7730.1 Ų30.130%0.30216%0.158SC..EExtended strand (participates in β ladder)trans-106.1130162-177.2-122.4000109.7V169 L208 G239 F240Y167-V169 HydrophobicContact CD1-CB 4.39Å; Y167-V169 HydrophobicContact CD1-CG1 4.23Å; Y167-V169 HydrophobicContact CE1-CB 3.65Å; Y167-V169 HydrophobicContact CE1-CG1 3.69Å; Y167-V169 HydrophobicContact CE1-CG2 4.34Å; Y167-L208 HydrophobicContact CD2-CD2 3.8Å; Y167-L208 HydrophobicContact CD2-CG 4.08Å; Y167-L208 HydrophobicContact CG-CD2 4.18Å; Y167-G239 WeakPolarHBondContact O-CA 3.39Å; Y167-F240 AromaticContact CD1-CE1 3.66Å; Y167-F240 HydrophobicContact CD1-CE1 3.66Å; Y167-F240 HydrophobicContact CD1-CE2 4.28Å; Y167-F240 AromaticContact CD1-CZ 3.45Å; Y167-F240 HydrophobicContact CD1-CZ 3.45Å; Y167-F240 VanDerWaalsContact CD1-CZ 3.45Å; Y167-F240 HydrophobicContact CE1-CE1 4.48Å; Y167-F240 HydrophobicContact CE1-CZ 4.35Å; Y167-F240 HydrophobicContact CG-CZ 4.22Å; Y167-F240 PolarHBondContact N-O 2.78Å; Y167-F240 PolarHBondContact O-N 3.09Å
168F98.9Very high97.6Very high0 Ų027.8 Ų27.80%015%0.147CC..EExtended strand (participates in β ladder)trans-117.2135.1173-66.9-81.1000109.2F122 F158 Y166 L182 G206 V207 L209 L211 V217 F237 S238F122-F168 HydrophobicContact CE1-CD1 4.36Å; F122-F168 AromaticContact CE1-CE1 3.96Å; F122-F168 HydrophobicContact CE1-CE1 3.96Å; F122-F168 HydrophobicContact CZ-CD1 4.16Å; F122-F168 HydrophobicContact CZ-CE1 4.11Å; F158-F168 HydrophobicContact CB-CE1 4.42Å; F158-F168 AromaticContact CD1-CE1 3.89Å; F158-F168 HydrophobicContact CD1-CE1 3.89Å; F158-F168 AromaticContact CD1-CZ 3.74Å; F158-F168 HydrophobicContact CD1-CZ 3.74Å; F158-F168 HydrophobicContact CD2-CE1 4.39Å; F158-F168 HydrophobicContact CE1-CE1 4.23Å; F158-F168 AromaticContact CE1-CZ 3.76Å; F158-F168 HydrophobicContact CE1-CZ 3.76Å; F158-F168 AromaticContact CG-CE1 3.97Å; F158-F168 HydrophobicContact CG-CE1 3.97Å; F158-F168 HydrophobicContact CG-CZ 4.29Å; F158-F168 HydrophobicContact CZ-CZ 4.31Å; Y166-F168 VanDerWaalsContact CB-CE2 3.44Å; Y166-F168 HydrophobicContact CD1-CZ 4.15Å; Y166-F168 HydrophobicContact CG-CE2 4.17Å; Y166-F168 HydrophobicContact CG-CZ 4.19Å; F168-L182 HydrophobicContact CB-CD1 3.97Å; F168-G206 CarbonylContact O-C 3.58Å; F168-G206 WeakPolarHBondContact O-CA 3.47Å; F168-V207 PolarHBondContact N-O 3.44Å; F168-V207 PolarHBondContact O-N 3.13Å; F168-L209 HydrophobicContact CD2-CB 4.47Å; F168-L209 HydrophobicContact CD2-CD1 4.15Å; F168-L209 HydrophobicContact CE2-CB 4.37Å; F168-L209 HydrophobicContact CE2-CD1 4.36Å; F168-L211 HydrophobicContact CE2-CD1 3.77Å; F168-L211 HydrophobicContact CZ-CD1 3.71Å; F168-V217 HydrophobicContact CD1-CG1 4Å; F168-V217 HydrophobicContact CD2-CG1 4.27Å; F168-V217 HydrophobicContact CE1-CB 4.1Å; F168-V217 HydrophobicContact CE1-CG1 3.94Å; F168-V217 HydrophobicContact CE1-CG2 4.45Å; F168-V217 HydrophobicContact CE2-CB 4.42Å; F168-V217 HydrophobicContact CE2-CG1 4.23Å; F168-V217 HydrophobicContact CE2-CG2 3.96Å; F168-V217 HydrophobicContact CG-CG1 4.17Å; F168-V217 HydrophobicContact CZ-CB 3.99Å; F168-V217 HydrophobicContact CZ-CG1 4.07Å; F168-V217 HydrophobicContact CZ-CG2 3.83Å; F168-F237 HydrophobicContact CB-CE2 4.15Å; F168-F237 HydrophobicContact CD1-CE2 4.04Å; F168-F237 AromaticContact CD1-CZ 3.79Å; F168-F237 HydrophobicContact CD1-CZ 3.79Å; F168-S238 WeakPolarHBondContact CA-O 3.48Å
169V98.8Very high97.6Very high22 Ų2227.9 Ų27.913%0.13315%0.148CC..EExtended strand (participates in β ladder)trans-148.6142.1-179.662.30000110.7Y167 G205 F237 S238Y167-V169 HydrophobicContact CD1-CB 4.39Å; Y167-V169 HydrophobicContact CD1-CG1 4.23Å; Y167-V169 HydrophobicContact CE1-CB 3.65Å; Y167-V169 HydrophobicContact CE1-CG1 3.69Å; Y167-V169 HydrophobicContact CE1-CG2 4.34Å; V169-G205 WeakPolarHBondContact CA-O 3.38Å; V169-F237 WeakPolarHBondContact O-CD2 3.42Å; V169-S238 PolarHBondContact N-O 2.91Å; V169-S238 PolarHBondContact O-N 3.04Å
170Y98.7Very high97.6Very high4 Ų425.6 Ų25.62%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-133.5156.5173.874.2-92.1000111.5A172 V180 F192 N203 S204 G205 L219 V236Y170-A172 HydrophobicContact CD2-CB 4.03Å; Y170-A172 HydrophobicContact CE2-CB 4.27Å; Y170-V180 HydrophobicContact CD1-CG1 4.07Å; Y170-V180 HydrophobicContact CD2-CG1 4.2Å; Y170-V180 HydrophobicContact CD2-CG2 4.44Å; Y170-V180 HydrophobicContact CE1-CB 4.09Å; Y170-V180 HydrophobicContact CE1-CG1 3.62Å; Y170-V180 HydrophobicContact CE2-CB 3.72Å; Y170-V180 HydrophobicContact CE2-CG1 3.81Å; Y170-V180 HydrophobicContact CE2-CG2 3.78Å; Y170-V180 HydrophobicContact CG-CG1 4.35Å; Y170-V180 VanDerWaalsContact CZ-CB 3.49Å; Y170-V180 WeakPolarHBondContact OH-CB 3.46Å; Y170-F192 HydrophobicContact CE1-CD2 4.31Å; Y170-F192 WeakPolarHBondContact OH-CB 3Å; Y170-F192 WeakPolarHBondContact OH-CD2 3.38Å; Y170-N203 WeakPolarHBondContact CE2-O 3.46Å; Y170-N203 WeakPolarHBondContact CE2-OD1 3.45Å; Y170-N203 PolarHBondContact OH-OD1 2.85Å; Y170-S204 WeakPolarHBondContact O-CA 3.07Å; Y170-G205 WeakPolarHBondContact CD1-O 3.46Å; Y170-G205 VanDerWaalsContact CE1-CA 3.49Å; Y170-G205 PolarHBondContact N-O 2.81Å; Y170-G205 PolarHBondContact O-N 3.04Å; Y170-L219 HydrophobicContact CD1-CD1 3.86Å; Y170-L219 HydrophobicContact CD1-CD2 4.07Å; Y170-L219 HydrophobicContact CG-CD1 3.78Å; Y170-V236 VanDerWaalsContact CA-O 3.25Å; Y170-V236 WeakPolarHBondContact CA-O 3.5Å; Y170-V236 WeakPolarHBondContact CB-O 3.35Å
171H98.4Very high97.6Very high86 Ų8626.1 Ų26.140%0.39814%0.137SC..EExtended strand (participates in β ladder)trans-134.3115.2168-59.1-91.8000107V202 N203 S235 V236H171-V202 HydrophobicContact CB-CG1 3.8Å; H171-N203 CarbonylContact C-O 3.41Å; H171-N203 WeakPolarHBondContact CA-O 3.33Å; H171-S235 CarbonylContact O-C 3.59Å; H171-S235 WeakPolarHBondContact O-CA 3.33Å; H171-V236 HydrophobicContact CB-CG1 3.84Å; H171-V236 PolarHBondContact N-O 3.17Å; H171-V236 PolarHBondContact O-N 2.89Å
172A97.8Very high97.7Very high1 Ų121 Ų211%0.00812%0.115CC..EExtended strand (participates in β ladder)trans-118.9116.9-173.900000110.4Y170 L178 V180 V202 N203 M227 S235Y170-A172 HydrophobicContact CD2-CB 4.03Å; Y170-A172 HydrophobicContact CE2-CB 4.27Å; A172-L178 HydrophobicContact CB-CD2 3.74Å; A172-V180 HydrophobicContact CB-CG2 4.35Å; A172-V202 CarbonylContact O-C 3.59Å; A172-V202 WeakPolarHBondContact O-CA 3.48Å; A172-N203 PolarHBondContact N-O 3.5Å; A172-N203 PolarHBondContact O-N 2.87Å; A172-M227 HydrophobicContact CB-CE 3.96Å; A172-S235 WeakPolarHBondContact CA-OG 3.37Å
173S96.8Very high97.9Very high2 Ų223.1 Ų23.11%0.01412%0.121CC..EExtended strand (participates in β ladder)trans-77.5136.3175.9-63.50000111.5Q201 M227 S233 D234 S235S173-Q201 WeakPolarHBondContact CA-O 3.27Å; S173-M227 CarbonylContact O-C 3.42Å; S173-M227 WeakPolarHBondContact O-CA 3.47Å; S173-S233 WeakPolarHBondContact CB-O 3.37Å; S173-S233 WeakPolarHBondContact CB-OG 3.46Å; S173-S233 PolarHBondContact OG-OG 3.24Å; S173-D234 PolarHBondContact OG-O 2.85Å; S173-D234 VanDerWaalsContact OG-O 3.09Å; S173-S235 PolarHBondContact N-OG 3.36Å; S173-S235 VanDerWaalsContact N-OG 3.08Å
174H97Very high98Very high1 Ų124.7 Ų24.71%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-150.3150-177.968109.7000111.4A176 L178 G194 T196 N200 Q201 D226H174-A176 PolarHBondContact ND1-O 2.95Å; H174-L178 HydrophobicContact CB-CB 3.88Å; H174-L178 HydrophobicContact CB-CD2 3.85Å; H174-L178 HydrophobicContact CB-CG 4.5Å; H174-G194 PolarHBondContact CE1-O 2.83Å; H174-T196 WeakPolarHBondContact ND1-CG2 3.41Å; H174-N200 WeakPolarHBondContact O-CA 3.44Å; H174-Q201 PolarHBondContact CD2-O 3.3Å; H174-Q201 VanDerWaalsContact CD2-O 3.28Å; H174-Q201 PolarHBondContact N-O 3.46Å; H174-Q201 PolarHBondContact O-N 2.84Å; H174-D226 WeakPolarHBondContact CB-O 3.39Å
175T95.4Very high98Very high33 Ų3327.4 Ų27.420%0.20214%0.141CC..SBendtrans-119.2-4.1178.753.80000113.2T196 K198 N200 D226 V228 I230T175-T196 VanDerWaalsContact C-CG2 3.46Å; T175-K198 PolarHBondContact O-N 3.03Å; T175-K198 VanDerWaalsContact O-N 3.09Å; T175-N200 HydrophobicContact CG2-CB 4Å; T175-D226 PolarHBondContact N-OD2 2.79Å; T175-V228 VanDerWaalsContact CG2-O 3.24Å; T175-V228 WeakPolarHBondContact CG2-O 3.45Å; T175-V228 PolarHBondContact OG1-O 2.68Å; T175-I230 HydrophobicContact CG2-CG2 4.03Å
176A95.7Very high98Very high43 Ų4327.6 Ų27.636%0.35515%0.154SC..SBendtrans-134.8-174.3166.900000110.6H174 L178 D226H174-A176 PolarHBondContact ND1-O 2.95Å; A176-L178 PolarHBondContact O-N 3.03Å; A176-D226 HydrophobicContact CB-CB 3.78Å; A176-D226 PolarHBondContact N-OD2 2.71Å
177N97.3Very high98Very high54 Ų5432.4 Ų32.429%0.28918%0.184SC..  trans-61.7133.2-175.4-65.4-10.5000112.6H195 T196 Y224 Y225 D226N177-H195 WeakPolarHBondContact OD1-CA 3.38Å; N177-T196 PolarHBondContact OD1-N 2.88Å; N177-T196 PolarHBondContact OD1-O 2.93Å; N177-Y224 HydrophobicContact CB-CD1 3.88Å; N177-Y224 HydrophobicContact CB-CD2 4.17Å; N177-Y224 HydrophobicContact CB-CE1 4.42Å; N177-Y224 HydrophobicContact CB-CG 3.76Å; N177-Y224 CarbonylContact O-C 3.56Å; N177-Y225 PolarHBondContact O-N 2.9Å; N177-D226 PolarHBondContact O-N 3.2Å
178L98.3Very high97.9Very high0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-136.8126.7178.4174.658.8000110.8A172 H174 A176 V180 C193 G194 N203 V221 Y224 D226 M227A172-L178 HydrophobicContact CB-CD2 3.74Å; H174-L178 HydrophobicContact CB-CB 3.88Å; H174-L178 HydrophobicContact CB-CD2 3.85Å; H174-L178 HydrophobicContact CB-CG 4.5Å; A176-L178 PolarHBondContact O-N 3.03Å; L178-V180 HydrophobicContact CD1-CG2 3.85Å; L178-V180 HydrophobicContact CD2-CG2 3.91Å; L178-V180 HydrophobicContact CG-CG2 3.88Å; L178-C193 CarbonylContact O-C 3.54Å; L178-C193 VanDerWaalsContact O-CA 3.32Å; L178-C193 WeakPolarHBondContact O-CA 3.38Å; L178-G194 PolarHBondContact N-O 2.81Å; L178-G194 PolarHBondContact O-N 3.03Å; L178-N203 HydrophobicContact CD2-CB 4.05Å; L178-N203 PolarHBondContact O-ND2 2.9Å; L178-N203 VanDerWaalsContact O-ND2 3.11Å; L178-V221 HydrophobicContact CD1-CG1 3.78Å; L178-Y224 WeakPolarHBondContact CA-O 3.32Å; L178-D226 VanDerWaalsContact CB-O 3.32Å; L178-D226 WeakPolarHBondContact CB-O 3.32Å; L178-D226 VanDerWaalsContact CD1-O 3.29Å; L178-D226 WeakPolarHBondContact CD1-O 3.38Å; L178-D226 WeakPolarHBondContact CD2-O 3.34Å; L178-D226 WeakPolarHBondContact CG-O 3.43Å; L178-M227 HydrophobicContact CD1-CG 3.91Å; L178-M227 HydrophobicContact CD2-CG 4.07Å
179C98.6Very high97.9Very high3 Ų336.9 Ų36.92%0.0221%0.209CC..EExtended strand (participates in β ladder)trans-115129.3160.2-65.50000109.9L181 T191 F192 C193 V221 N222 Y224C179-L181 HydrophobicContact CB-CD1 4.33Å; C179-T191 HydrophobicContact CB-CG2 4.37Å; C179-F192 WeakPolarHBondContact CA-O 3.5Å; C179-C193 HydrophobicContact CB-CB 4.11Å; C179-C193 WeakPolarHBondContact CB-SG 3.49Å; C179-C193 WeakPolarHBondContact SG-CB 3.39Å; C179-C193 CovalentContact SG-SG 2.04Å; C179-C193 PolarHBondContact SG-SG 2.88Å; C179-V221 WeakPolarHBondContact O-CA 3.32Å; C179-N222 WeakPolarHBondContact CB-OD1 3.36Å; C179-Y224 PolarHBondContact N-O 3.34Å
180V98.7Very high97.9Very high1 Ų137.6 Ų37.61%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-108.3129.1174.2178.60000108.9I138 Y170 A172 L178 T191 F192 L219 A220I138-V180 HydrophobicContact CD1-CG1 4.02Å; I138-V180 HydrophobicContact CD1-CG2 4.21Å; Y170-V180 HydrophobicContact CD1-CG1 4.07Å; Y170-V180 HydrophobicContact CD2-CG1 4.2Å; Y170-V180 HydrophobicContact CD2-CG2 4.44Å; Y170-V180 HydrophobicContact CE1-CB 4.09Å; Y170-V180 HydrophobicContact CE1-CG1 3.62Å; Y170-V180 HydrophobicContact CE2-CB 3.72Å; Y170-V180 HydrophobicContact CE2-CG1 3.81Å; Y170-V180 HydrophobicContact CE2-CG2 3.78Å; Y170-V180 HydrophobicContact CG-CG1 4.35Å; Y170-V180 VanDerWaalsContact CZ-CB 3.49Å; Y170-V180 WeakPolarHBondContact OH-CB 3.46Å; A172-V180 HydrophobicContact CB-CG2 4.35Å; L178-V180 HydrophobicContact CD1-CG2 3.85Å; L178-V180 HydrophobicContact CD2-CG2 3.91Å; L178-V180 HydrophobicContact CG-CG2 3.88Å; V180-T191 WeakPolarHBondContact O-CA 3.23Å; V180-F192 PolarHBondContact N-O 2.96Å; V180-F192 PolarHBondContact O-N 2.94Å; V180-L219 HydrophobicContact CG1-CB 4.08Å; V180-L219 HydrophobicContact CG1-CD1 4.08Å; V180-L219 HydrophobicContact CG1-CD2 4.08Å; V180-L219 HydrophobicContact CG1-CG 4.31Å; V180-A220 WeakPolarHBondContact CA-O 3.44Å
181L98.7Very high97.9Very high13 Ų1340 Ų407%0.06823%0.228CC..EExtended strand (participates in β ladder)trans-112.3126.8-178.5-63.877.7000108.1C179 Y183 K188 V190 T191 L219 A220 N222C179-L181 HydrophobicContact CB-CD1 4.33Å; L181-Y183 HydrophobicContact CB-CD2 4.28Å; L181-Y183 HydrophobicContact CB-CE2 3.81Å; L181-Y183 HydrophobicContact CD2-CE2 4.18Å; L181-K188 HydrophobicContact CD2-CD 3.65Å; L181-K188 HydrophobicContact CD2-CG 4.44Å; L181-K188 HydrophobicContact CG-CD 4.32Å; L181-V190 WeakPolarHBondContact CA-O 3.25Å; L181-T191 HydrophobicContact CD1-CG2 4.25Å; L181-T191 HydrophobicContact CG-CG2 3.92Å; L181-L219 CarbonylContact O-C 3.55Å; L181-L219 VanDerWaalsContact O-CA 3.29Å; L181-L219 WeakPolarHBondContact O-CA 3.39Å; L181-A220 HydrophobicContact CB-CB 4.46Å; L181-A220 PolarHBondContact N-O 3.11Å; L181-A220 PolarHBondContact O-N 2.83Å; L181-N222 HydrophobicContact CD1-CB 4.09Å
182L98.8Very high97.9Very high2 Ų239.5 Ų39.51%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-96129.6172-172.7151.3000109.6F168 V189 V190 V207 L209 V217 L219F168-L182 HydrophobicContact CB-CD1 3.97Å; L182-V189 HydrophobicContact CD2-CB 3.86Å; L182-V189 HydrophobicContact CD2-CG1 4.46Å; L182-V189 HydrophobicContact CD2-CG2 3.86Å; L182-V189 PolarHBondContact O-N 3Å; L182-V190 HydrophobicContact CB-CG2 3.74Å; L182-V190 PolarHBondContact N-O 2.82Å; L182-V207 HydrophobicContact CD1-CG1 3.71Å; L182-V207 HydrophobicContact CD2-CG1 4.01Å; L182-V207 HydrophobicContact CG-CG1 4.48Å; L182-L209 HydrophobicContact CD2-CD1 3.9Å; L182-V217 HydrophobicContact CD1-CG1 4.44Å; L182-V217 HydrophobicContact CD2-CG1 4.09Å; L182-V217 HydrophobicContact CG-CG1 4.23Å; L182-L219 HydrophobicContact CB-CD2 3.8Å; L182-L219 HydrophobicContact CD1-CD2 3.95Å; L182-L219 HydrophobicContact CG-CD2 3.93Å
183Y98.8Very high97.9Very high60 Ų6042.7 Ų42.724%0.23525%0.247CC..EExtended strand (participates in β ladder)trans-111.4146.3176.6-79.4-99.3000111.1L181 V187 K188 V217 W218 A220L181-Y183 HydrophobicContact CB-CD2 4.28Å; L181-Y183 HydrophobicContact CB-CE2 3.81Å; L181-Y183 HydrophobicContact CD2-CE2 4.18Å; Y183-V187 CarbonylContact C-O 3.51Å; Y183-V187 WeakPolarHBondContact CA-O 3.46Å; Y183-K188 HydrophobicContact CD1-CB 4.25Å; Y183-K188 HydrophobicContact CE1-CB 3.81Å; Y183-K188 HydrophobicContact CE2-CB 4.47Å; Y183-K188 HydrophobicContact CE2-CG 4.45Å; Y183-V217 VanDerWaalsContact O-CA 3.31Å; Y183-V217 WeakPolarHBondContact O-CA 3.25Å; Y183-W218 AromaticContact CD1-CZ2 3.89Å; Y183-W218 HydrophobicContact CD1-CZ2 3.89Å; Y183-W218 AromaticContact CD2-NE1 3.75Å; Y183-W218 AromaticContact CG-CE2 3.72Å; Y183-W218 AromaticContact CG-CZ2 3.78Å; Y183-W218 HydrophobicContact CG-CZ2 3.78Å; Y183-W218 AromaticContact CG-NE1 3.7Å; Y183-W218 PolarHBondContact N-O 2.9Å; Y183-W218 PolarHBondContact O-N 2.79Å; Y183-A220 HydrophobicContact CD2-CB 4.13Å; Y183-A220 HydrophobicContact CE2-CB 3.93Å
184R98.7Very high97.9Very high72 Ų7243.2 Ų43.227%0.27225%0.252SS..EExtended strand (participates in β ladder)trans-127.6119.5168.6174.1-167.5172.21669.1108G186 V187 V189 L209 R210 L211 E215 E216R184-G186 PolarHBondContact O-N 2.92Å; R184-V187 PolarHBondContact N-O 3.39Å; R184-V187 PolarHBondContact O-N 3.1Å; R184-V189 HydrophobicContact CB-CG2 3.6Å; R184-L209 HydrophobicContact CB-CD1 4.38Å; R184-R210 VanDerWaalsContact CZ-O 3.29Å; R184-R210 PolarHBondContact NH1-O 3.29Å; R184-R210 PolarHBondContact NH2-O 3.17Å; R184-L211 HydrophobicContact CG-CD2 4.11Å; R184-E215 IonicContact CZ-OE1 3.38Å; R184-E215 IonicContact CZ-OE2 3.56Å; R184-E215 IonicContact NE-OE1 2.8Å; R184-E215 PolarHBondContact NE-OE1 2.99Å; R184-E215 IonicContact NE-OE2 3.6Å; R184-E215 VanDerWaalsContact NH2-CD 3.33Å; R184-E215 IonicContact NH2-OE1 3.14Å; R184-E215 PolarHBondContact NH2-OE1 3.31Å; R184-E215 VanDerWaalsContact NH2-OE1 3.14Å; R184-E215 IonicContact NH2-OE2 2.72Å; R184-E215 PolarHBondContact NH2-OE2 3.3Å; R184-E216 CarbonylContact C-O 3.53Å; R184-E216 WeakPolarHBondContact CA-O 3.17Å
185S97.8Very high97.8Very high56 Ų5648.5 Ų48.539%0.39228%0.277SS..THydrogen-bonded Turntrans48.440.2173.1-53.50000113.4E215 E216S185-E215 WeakPolarHBondContact OG-CB 3.36Å; S185-E215 WeakPolarHBondContact OG-CG 3.37Å; S185-E215 PolarHBondContact OG-OE1 3.47Å; S185-E215 VanDerWaalsContact OG-OE1 3.08Å; S185-E216 PolarHBondContact N-O 3.08Å
186G97.1Very high97.6Very high50 Ų5047.7 Ų47.752%0.51527%0.272SS..THydrogen-bonded Turntrans89.6-10.2-179.700000115.6R184R184-G186 PolarHBondContact O-N 2.92Å
187V98.3Very high97.3Very high101 Ų10150.2 Ų50.261%0.61229%0.287SS*.EExtended strand (participates in β ladder)trans-101.2128.8-179.3-176.50000110.3Y183 R184 V189Y183-V187 CarbonylContact C-O 3.51Å; Y183-V187 WeakPolarHBondContact CA-O 3.46Å; R184-V187 PolarHBondContact N-O 3.39Å; R184-V187 PolarHBondContact O-N 3.1Å; V187-V189 PolarHBondContact O-N 2.6Å
188K98.4Very high96.7Very high116 Ų11656.7 Ų56.750%0.50431%0.312SS..EExtended strand (participates in β ladder)trans-68.4124.2172.7-174-179.872174.80110L181 Y183L181-K188 HydrophobicContact CD2-CD 3.65Å; L181-K188 HydrophobicContact CD2-CG 4.44Å; L181-K188 HydrophobicContact CG-CD 4.32Å; Y183-K188 HydrophobicContact CD1-CB 4.25Å; Y183-K188 HydrophobicContact CE1-CB 3.81Å; Y183-K188 HydrophobicContact CE2-CB 4.47Å; Y183-K188 HydrophobicContact CE2-CG 4.45Å
189V98.4Very high96.3Very high55 Ų5560.9 Ų60.933%0.33334%0.338SS..EExtended strand (participates in β ladder)trans-95.8-53.7-177.5-175.70000111.2L182 R184 V187 V207 L209L182-V189 HydrophobicContact CD2-CB 3.86Å; L182-V189 HydrophobicContact CD2-CG1 4.46Å; L182-V189 HydrophobicContact CD2-CG2 3.86Å; L182-V189 PolarHBondContact O-N 3Å; R184-V189 HydrophobicContact CB-CG2 3.6Å; V187-V189 PolarHBondContact O-N 2.6Å; V189-V207 HydrophobicContact CG1-CG2 4.22Å; V189-L209 HydrophobicContact CG1-CD2 4.01Å; V189-L209 HydrophobicContact CG2-CD1 4.47Å
190V98.2Very high96.1Very high37 Ų3762.7 Ų62.722%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-142.7160.4-177.3-72.40000110.9L181 L182 F192L181-V190 WeakPolarHBondContact CA-O 3.25Å; L182-V190 HydrophobicContact CB-CG2 3.74Å; L182-V190 PolarHBondContact N-O 2.82Å; V190-F192 HydrophobicContact CB-CE2 3.76Å; V190-F192 HydrophobicContact CB-CZ 4.02Å; V190-F192 HydrophobicContact CG1-CE2 4.5Å; V190-F192 HydrophobicContact CG1-CZ 4.34Å; V190-F192 HydrophobicContact CG2-CD2 4.43Å; V190-F192 HydrophobicContact CG2-CE2 3.59Å; V190-F192 HydrophobicContact CG2-CZ 4.21Å
191T98.5Very high95.9Very high54 Ų5466.8 Ų66.833%0.33137%0.367SS..EExtended strand (participates in β ladder)trans-143.1129.7175-56.40000108.6C179 V180 L181C179-T191 HydrophobicContact CB-CG2 4.37Å; V180-T191 WeakPolarHBondContact O-CA 3.23Å; L181-T191 HydrophobicContact CD1-CG2 4.25Å; L181-T191 HydrophobicContact CG-CG2 3.92Å
192F98.4Very high95.8Very high75 Ų7569.9 Ų69.933%0.32939%0.386SS..EExtended strand (participates in β ladder)trans-128.5135.9173.6-49.2-88.2000109.6Y170 C179 V180 V190 N203Y170-F192 HydrophobicContact CE1-CD2 4.31Å; Y170-F192 WeakPolarHBondContact OH-CB 3Å; Y170-F192 WeakPolarHBondContact OH-CD2 3.38Å; C179-F192 WeakPolarHBondContact CA-O 3.5Å; V180-F192 PolarHBondContact N-O 2.96Å; V180-F192 PolarHBondContact O-N 2.94Å; V190-F192 HydrophobicContact CB-CE2 3.76Å; V190-F192 HydrophobicContact CB-CZ 4.02Å; V190-F192 HydrophobicContact CG1-CE2 4.5Å; V190-F192 HydrophobicContact CG1-CZ 4.34Å; V190-F192 HydrophobicContact CG2-CD2 4.43Å; V190-F192 HydrophobicContact CG2-CE2 3.59Å; V190-F192 HydrophobicContact CG2-CZ 4.21Å; F192-N203 PolarHBondContact O-ND2 2.81Å
193C98.2Very high95.8Very high68 Ų6870.1 Ų70.146%0.45939%0.387SS..EExtended strand (participates in β ladder)trans-123139.5-174.1-60.20000110.6L178 C179L178-C193 CarbonylContact O-C 3.54Å; L178-C193 VanDerWaalsContact O-CA 3.32Å; L178-C193 WeakPolarHBondContact O-CA 3.38Å; C179-C193 HydrophobicContact CB-CB 4.11Å; C179-C193 WeakPolarHBondContact CB-SG 3.49Å; C179-C193 WeakPolarHBondContact SG-CB 3.39Å; C179-C193 CovalentContact SG-SG 2.04Å; C179-C193 PolarHBondContact SG-SG 2.88Å
194G95.7Very high95.8Very high13 Ų1370.4 Ų70.413%0.13440%0.398CS..EExtended strand (participates in β ladder)trans-122.9127.317100000108.8H174 L178 N203H174-G194 PolarHBondContact CE1-O 2.83Å; L178-G194 PolarHBondContact N-O 2.81Å; L178-G194 PolarHBondContact O-N 3.03Å; G194-N203 PolarHBondContact N-ND2 2.94Å
195H95.4Very high95.7Very high112 Ų11267.4 Ų67.452%0.51939%0.389SS..  trans-107.4127.6176-64.9179.4000108.8N177 Q201 Y224N177-H195 WeakPolarHBondContact OD1-CA 3.38Å; H195-Q201 PolarHBondContact O-OE1 2.88Å; H195-Y224 AromaticContact NE2-CD2 3.86Å; H195-Y224 AromaticContact NE2-CE2 3.55Å
196T92.2Very high95.7Very high17 Ų1766 Ų6610%0.10438%0.384CS..  trans-148.4157.1177.5-171.20000110.3H174 T175 N177 T199H174-T196 WeakPolarHBondContact ND1-CG2 3.41Å; T175-T196 VanDerWaalsContact C-CG2 3.46Å; N177-T196 PolarHBondContact OD1-N 2.88Å; N177-T196 PolarHBondContact OD1-O 2.93Å; T196-T199 WeakPolarHBondContact CG2-O 3.35Å; T196-T199 PolarHBondContact OG1-O 2.79Å; T196-T199 PolarHBondContact OG1-OG1 2.79Å; T196-T199 VanDerWaalsContact OG1-OG1 3.07Å
197S88.9Confident95.8Very high95 Ų9565 Ų6566%0.66437%0.367SS*.SBendtrans-129.2106.8175.1-178.40000108.3T199S197-T199 PolarHBondContact O-N 2.85Å
198K83.7Confident95.8Very high190 Ų19064.6 Ų64.683%0.82636%0.361SS*.SBendtrans69.7-27.7175.9-52.9179.7178.9-179.80116.4T175T175-K198 PolarHBondContact O-N 3.03Å; T175-K198 VanDerWaalsContact O-N 3.09Å
199T91.6Very high95.8Very high88 Ų8859.8 Ų59.854%0.5434%0.341SS..SBendtrans-84.3138.1175.853.80000110.7T196 S197 Q201T196-T199 WeakPolarHBondContact CG2-O 3.35Å; T196-T199 PolarHBondContact OG1-O 2.79Å; T196-T199 PolarHBondContact OG1-OG1 2.79Å; T196-T199 VanDerWaalsContact OG1-OG1 3.07Å; S197-T199 PolarHBondContact O-N 2.85Å; T199-Q201 PolarHBondContact O-N 3.24Å
200N93.9Very high95.8Very high41 Ų4164.2 Ų64.222%0.21935%0.352CS..  trans-71.8129176.9-170.990.9000110.4H174 T175 G229 I230 S233H174-N200 WeakPolarHBondContact O-CA 3.44Å; T175-N200 HydrophobicContact CG2-CB 4Å; N200-G229 WeakPolarHBondContact OD1-CA 3.44Å; N200-I230 HydrophobicContact CB-CB 4.4Å; N200-I230 HydrophobicContact CB-CD1 3.89Å; N200-I230 HydrophobicContact CB-CG1 3.88Å; N200-I230 HydrophobicContact CB-CG2 3.81Å; N200-I230 PolarHBondContact OD1-N 3.32Å; N200-S233 PolarHBondContact ND2-OG 3.27Å
201Q94.7Very high95.8Very high87 Ų8762.4 Ų62.441%0.40734%0.341SS..EExtended strand (participates in β ladder)trans-127.7169.2171.7-68.2-170.6-22.200109.8S173 H174 H195 T199S173-Q201 WeakPolarHBondContact CA-O 3.27Å; H174-Q201 PolarHBondContact CD2-O 3.3Å; H174-Q201 VanDerWaalsContact CD2-O 3.28Å; H174-Q201 PolarHBondContact N-O 3.46Å; H174-Q201 PolarHBondContact O-N 2.84Å; H195-Q201 PolarHBondContact O-OE1 2.88Å; T199-Q201 PolarHBondContact O-N 3.24Å
202V97.1Very high95.8Very high78 Ų7864.6 Ų64.647%0.47335%0.347SS..EExtended strand (participates in β ladder)trans-121.5113.6176.2-178.20000108.4H171 A172H171-V202 HydrophobicContact CB-CG1 3.8Å; A172-V202 CarbonylContact O-C 3.59Å; A172-V202 WeakPolarHBondContact O-CA 3.48Å
203N97.7Very high95.8Very high8 Ų865.8 Ų65.84%0.04336%0.361CS..EExtended strand (participates in β ladder)trans-80.2127.9169.7-179.4-33.6000108.2Y170 H171 A172 L178 F192 G194Y170-N203 WeakPolarHBondContact CE2-O 3.46Å; Y170-N203 WeakPolarHBondContact CE2-OD1 3.45Å; Y170-N203 PolarHBondContact OH-OD1 2.85Å; H171-N203 CarbonylContact C-O 3.41Å; H171-N203 WeakPolarHBondContact CA-O 3.33Å; A172-N203 PolarHBondContact N-O 3.5Å; A172-N203 PolarHBondContact O-N 2.87Å; L178-N203 HydrophobicContact CD2-CB 4.05Å; L178-N203 PolarHBondContact O-ND2 2.9Å; L178-N203 VanDerWaalsContact O-ND2 3.11Å; F192-N203 PolarHBondContact O-ND2 2.81Å; G194-N203 PolarHBondContact N-ND2 2.94Å
204S98.1Very high95.7Very high66 Ų6664.8 Ų64.846%0.46236%0.362SS..EExtended strand (participates in β ladder)trans-124.1152.1176.962.50000111.5Y170Y170-S204 WeakPolarHBondContact O-CA 3.07Å
205G98Very high95.9Very high8 Ų865.8 Ų65.88%0.08236%0.363CS..EExtended strand (participates in β ladder)trans-164.6153.4176.600000110.2V169 Y170V169-G205 WeakPolarHBondContact CA-O 3.38Å; Y170-G205 WeakPolarHBondContact CD1-O 3.46Å; Y170-G205 VanDerWaalsContact CE1-CA 3.49Å; Y170-G205 PolarHBondContact N-O 2.81Å; Y170-G205 PolarHBondContact O-N 3.04Å
206G97.8Very high96Very high27 Ų2763.4 Ų63.428%0.27835%0.352SS..EExtended strand (participates in β ladder)trans-163.5160.3178.200000112.2F168F168-G206 CarbonylContact O-C 3.58Å; F168-G206 WeakPolarHBondContact O-CA 3.47Å
207V98.6Very high96.3Very high28 Ų2862.6 Ų62.617%0.1735%0.347CS..EExtended strand (participates in β ladder)trans-157.4148.6-17765.50000110.9F168 L182 V189 L209F168-V207 PolarHBondContact N-O 3.44Å; F168-V207 PolarHBondContact O-N 3.13Å; L182-V207 HydrophobicContact CD1-CG1 3.71Å; L182-V207 HydrophobicContact CD2-CG1 4.01Å; L182-V207 HydrophobicContact CG-CG1 4.48Å; V189-V207 HydrophobicContact CG1-CG2 4.22Å; V207-L209 HydrophobicContact CG1-CD1 3.95Å; V207-L209 HydrophobicContact CG1-CG 3.94Å; V207-L209 HydrophobicContact CG2-CD2 4.13Å; V207-L209 HydrophobicContact CG2-CG 4.25Å
208L98.7Very high96.8Very high93 Ų9359.7 Ų59.749%0.48732%0.322SS..EExtended strand (participates in β ladder)trans-93.1128.4168.2-72168.5000109.7L165 Y166 Y167 L242L165-L208 HydrophobicContact CD1-CB 4.38Å; L165-L208 HydrophobicContact CD2-CD2 4.38Å; L165-L208 HydrophobicContact CG-CD2 4.48Å; Y166-L208 CarbonylContact O-C 3.54Å; Y166-L208 VanDerWaalsContact O-CA 3.28Å; Y166-L208 WeakPolarHBondContact O-CA 3.23Å; Y167-L208 HydrophobicContact CD2-CD2 3.8Å; Y167-L208 HydrophobicContact CD2-CG 4.08Å; Y167-L208 HydrophobicContact CG-CD2 4.18Å; L208-L242 HydrophobicContact CD2-CD1 3.39Å
209L98.4Very high97.5Very high15 Ų1550.8 Ų50.88%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-134.5127-179.6-66.4175.6000110.6Y166 F168 L182 R184 V189 V207 L211Y166-L209 PolarHBondContact N-O 2.92Å; Y166-L209 PolarHBondContact O-N 3.43Å; F168-L209 HydrophobicContact CD2-CB 4.47Å; F168-L209 HydrophobicContact CD2-CD1 4.15Å; F168-L209 HydrophobicContact CE2-CB 4.37Å; F168-L209 HydrophobicContact CE2-CD1 4.36Å; L182-L209 HydrophobicContact CD2-CD1 3.9Å; R184-L209 HydrophobicContact CB-CD1 4.38Å; V189-L209 HydrophobicContact CG1-CD2 4.01Å; V189-L209 HydrophobicContact CG2-CD1 4.47Å; V207-L209 HydrophobicContact CG1-CD1 3.95Å; V207-L209 HydrophobicContact CG1-CG 3.94Å; V207-L209 HydrophobicContact CG2-CD2 4.13Å; V207-L209 HydrophobicContact CG2-CG 4.25Å; L209-L211 HydrophobicContact CB-CD2 3.96Å; L209-L211 HydrophobicContact CB-CG 4.36Å
210R98.4Very high97.9Very high148 Ų14847 Ų4756%0.55826%0.26SS*.EExtended strand (participates in β ladder)trans-83.7115.5167.7-168177.1-171.4168.33.9109G164 L165 R184 D245G164-R210 CarbonylContact O-C 3.58Å; G164-R210 VanDerWaalsContact O-CA 3.29Å; G164-R210 WeakPolarHBondContact O-CA 3.36Å; L165-R210 HydrophobicContact CD1-CB 4.12Å; R184-R210 VanDerWaalsContact CZ-O 3.29Å; R184-R210 PolarHBondContact NH1-O 3.29Å; R184-R210 PolarHBondContact NH2-O 3.17Å; R210-D245 IonicContact CZ-OD1 2.68Å; R210-D245 IonicContact NE-OD1 2.73Å; R210-D245 PolarHBondContact NE-OD1 3.07Å; R210-D245 IonicContact NE-OD2 3.09Å; R210-D245 PolarHBondContact NE-OD2 2.93Å; R210-D245 VanDerWaalsContact NH2-CG 3.34Å; R210-D245 IonicContact NH2-OD1 2.73Å; R210-D245 PolarHBondContact NH2-OD1 2.87Å; R210-D245 IonicContact NH2-OD2 3.49Å
211L98.4Very high98.1Very high0 Ų045.2 Ų45.20%025%0.251CS..EExtended strand (participates in β ladder)trans-109.4149.5-174.6-59.1-175.7000111.7F158 C160 P163 G164 Y166 F168 R184 L209 E215 V217F158-L211 HydrophobicContact CD1-CD1 4.31Å; F158-L211 HydrophobicContact CE1-CD1 3.66Å; C160-L211 HydrophobicContact CB-CB 4.14Å; C160-L211 HydrophobicContact CB-CD1 4.23Å; P163-L211 WeakPolarHBondContact CA-O 3.36Å; G164-L211 PolarHBondContact N-O 3.32Å; G164-L211 PolarHBondContact O-N 2.04Å; Y166-L211 HydrophobicContact CD2-CB 4.06Å; Y166-L211 HydrophobicContact CD2-CD1 3.89Å; Y166-L211 HydrophobicContact CD2-CG 4.02Å; Y166-L211 HydrophobicContact CE2-CB 4.29Å; Y166-L211 HydrophobicContact CE2-CD1 4.35Å; Y166-L211 HydrophobicContact CG-CD1 4.14Å; F168-L211 HydrophobicContact CE2-CD1 3.77Å; F168-L211 HydrophobicContact CZ-CD1 3.71Å; R184-L211 HydrophobicContact CG-CD2 4.11Å; L209-L211 HydrophobicContact CB-CD2 3.96Å; L209-L211 HydrophobicContact CB-CG 4.36Å; L211-E215 WeakPolarHBondContact CA-OE2 3.44Å; L211-E215 HydrophobicContact CD2-CB 4.48Å; L211-V217 HydrophobicContact CD1-CG2 3.83Å; L211-V217 HydrophobicContact CD2-CG2 4.13Å
212Q98.1Very high98.3Very high99 Ų9943 Ų4346%0.46324%0.242SC..  trans-103.4160.1169-60.4-60-64.900110.5C160 G214 E215 D245C160-Q212 WeakPolarHBondContact CB-O 3.47Å; C160-Q212 PolarHBondContact SG-O 3.11Å; Q212-G214 PolarHBondContact O-N 2.71Å; Q212-E215 HydrophobicContact CB-CG 4.29Å; Q212-E215 PolarHBondContact N-OE2 2.84Å; Q212-E215 WeakPolarHBondContact O-CB 3.41Å; Q212-E215 WeakPolarHBondContact O-CG 3.48Å; Q212-E215 PolarHBondContact O-N 3.45Å; Q212-E215 VanDerWaalsContact O-N 3.1Å; Q212-D245 PolarHBondContact NE2-OD2 3.44Å
213V97.5Very high98.3Very high100 Ų10044.7 Ų44.761%0.60625%0.248SC*.THydrogen-bonded Turntrans-55.7131.5179.6179.60000110.7P163 E215P163-V213 HydrophobicContact CB-CG2 4.23Å; P163-V213 HydrophobicContact CG-CG2 4.04Å; V213-E215 VanDerWaalsContact C-N 3.32Å
214G97.4Very high98.3Very high47 Ų4749 Ų4949%0.48527%0.265SS..THydrogen-bonded Turntrans85.4-7.218000000115.1C160 Q212C160-G214 PolarHBondContact O-N 2.87Å; Q212-G214 PolarHBondContact O-N 2.71Å
215E98.6Very high98.3Very high34 Ų3450.2 Ų50.216%0.15926%0.26CS..  trans-66.4139.1171.9-70.5-161.689.700111.5C160 R184 S185 L211 Q212 V213C160-E215 PolarHBondContact N-O 2.74Å; R184-E215 IonicContact CZ-OE1 3.38Å; R184-E215 IonicContact CZ-OE2 3.56Å; R184-E215 IonicContact NE-OE1 2.8Å; R184-E215 PolarHBondContact NE-OE1 2.99Å; R184-E215 IonicContact NE-OE2 3.6Å; R184-E215 VanDerWaalsContact NH2-CD 3.33Å; R184-E215 IonicContact NH2-OE1 3.14Å; R184-E215 PolarHBondContact NH2-OE1 3.31Å; R184-E215 VanDerWaalsContact NH2-OE1 3.14Å; R184-E215 IonicContact NH2-OE2 2.72Å; R184-E215 PolarHBondContact NH2-OE2 3.3Å; S185-E215 WeakPolarHBondContact OG-CB 3.36Å; S185-E215 WeakPolarHBondContact OG-CG 3.37Å; S185-E215 PolarHBondContact OG-OE1 3.47Å; S185-E215 VanDerWaalsContact OG-OE1 3.08Å; L211-E215 WeakPolarHBondContact CA-OE2 3.44Å; L211-E215 HydrophobicContact CD2-CB 4.48Å; Q212-E215 HydrophobicContact CB-CG 4.29Å; Q212-E215 PolarHBondContact N-OE2 2.84Å; Q212-E215 WeakPolarHBondContact O-CB 3.41Å; Q212-E215 WeakPolarHBondContact O-CG 3.48Å; Q212-E215 PolarHBondContact O-N 3.45Å; Q212-E215 VanDerWaalsContact O-N 3.1Å; V213-E215 VanDerWaalsContact C-N 3.32Å
216E98.7Very high98.2Very high63 Ų6350.7 Ų50.729%0.29426%0.261SS..EExtended strand (participates in β ladder)trans-103.4141.7-178.6-65.7-176.5141.300111.3K157 F158 R184 S185 W218K157-E216 HydrophobicContact CD-CB 4.5Å; K157-E216 HydrophobicContact CD-CG 4.41Å; K157-E216 WeakPolarHBondContact CD-OE1 3.44Å; K157-E216 VanDerWaalsContact NZ-CD 3.3Å; K157-E216 IonicContact NZ-OE1 3.18Å; K157-E216 PolarHBondContact NZ-OE1 2.96Å; K157-E216 IonicContact NZ-OE2 2.68Å; K157-E216 PolarHBondContact NZ-OE2 2.81Å; F158-E216 CarbonylContact O-C 3.51Å; F158-E216 WeakPolarHBondContact O-CA 3.46Å; R184-E216 CarbonylContact C-O 3.53Å; R184-E216 WeakPolarHBondContact CA-O 3.17Å; S185-E216 PolarHBondContact N-O 3.08Å; E216-W218 HydrophobicContact CB-CE3 4.08Å; E216-W218 HydrophobicContact CB-CZ3 3.89Å
217V98.9Very high98.1Very high0 Ų049.7 Ų49.70%025%0.249CC..EExtended strand (participates in β ladder)trans-129.3134.6171.8178.10000109.9F158 F168 L182 Y183 L211 F237F158-V217 HydrophobicContact CB-CB 4.34Å; F158-V217 WeakPolarHBondContact CB-O 3.31Å; F158-V217 HydrophobicContact CD1-CB 4.07Å; F158-V217 HydrophobicContact CD1-CG2 4.3Å; F158-V217 PolarHBondContact N-O 2.86Å; F158-V217 PolarHBondContact O-N 3.41Å; F168-V217 HydrophobicContact CD1-CG1 4Å; F168-V217 HydrophobicContact CD2-CG1 4.27Å; F168-V217 HydrophobicContact CE1-CB 4.1Å; F168-V217 HydrophobicContact CE1-CG1 3.94Å; F168-V217 HydrophobicContact CE1-CG2 4.45Å; F168-V217 HydrophobicContact CE2-CB 4.42Å; F168-V217 HydrophobicContact CE2-CG1 4.23Å; F168-V217 HydrophobicContact CE2-CG2 3.96Å; F168-V217 HydrophobicContact CG-CG1 4.17Å; F168-V217 HydrophobicContact CZ-CB 3.99Å; F168-V217 HydrophobicContact CZ-CG1 4.07Å; F168-V217 HydrophobicContact CZ-CG2 3.83Å; L182-V217 HydrophobicContact CD1-CG1 4.44Å; L182-V217 HydrophobicContact CD2-CG1 4.09Å; L182-V217 HydrophobicContact CG-CG1 4.23Å; Y183-V217 VanDerWaalsContact O-CA 3.31Å; Y183-V217 WeakPolarHBondContact O-CA 3.25Å; L211-V217 HydrophobicContact CD1-CG2 3.83Å; L211-V217 HydrophobicContact CD2-CG2 4.13Å; V217-F237 HydrophobicContact CG1-CZ 4.48Å
218W98.8Very high97.6Very high34 Ų3450.5 Ų50.513%0.12925%0.254CS..EExtended strand (participates in β ladder)trans-152.3166.8176.968.693.1000112.2L137 K157 Y183 E216L137-W218 HydrophobicContact CD1-CB 3.86Å; L137-W218 VanDerWaalsContact CD1-CD1 3.47Å; L137-W218 HydrophobicContact CD1-CD2 4.35Å; L137-W218 HydrophobicContact CD1-CG 3.63Å; L137-W218 HydrophobicContact CG-CB 4.34Å; L137-W218 HydrophobicContact CG-CG 4.23Å; K157-W218 HydrophobicContact CD-CE3 4.35Å; K157-W218 HydrophobicContact CG-CB 4.11Å; Y183-W218 AromaticContact CD1-CZ2 3.89Å; Y183-W218 HydrophobicContact CD1-CZ2 3.89Å; Y183-W218 AromaticContact CD2-NE1 3.75Å; Y183-W218 AromaticContact CG-CE2 3.72Å; Y183-W218 AromaticContact CG-CZ2 3.78Å; Y183-W218 HydrophobicContact CG-CZ2 3.78Å; Y183-W218 AromaticContact CG-NE1 3.7Å; Y183-W218 PolarHBondContact N-O 2.9Å; Y183-W218 PolarHBondContact O-N 2.79Å; E216-W218 HydrophobicContact CB-CE3 4.08Å; E216-W218 HydrophobicContact CB-CZ3 3.89Å
219L98.8Very high96.7Very high2 Ų247 Ų471%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-105.7148.6173-57.4-178.1000110.6I138 F140 Y170 V180 L181 L182 F237I138-L219 HydrophobicContact CB-CB 4.29Å; I138-L219 HydrophobicContact CD1-CB 3.89Å; I138-L219 PolarHBondContact N-O 3.14Å; F140-L219 HydrophobicContact CE2-CB 4.45Å; F140-L219 HydrophobicContact CE2-CD1 3.89Å; F140-L219 HydrophobicContact CZ-CD1 3.93Å; Y170-L219 HydrophobicContact CD1-CD1 3.86Å; Y170-L219 HydrophobicContact CD1-CD2 4.07Å; Y170-L219 HydrophobicContact CG-CD1 3.78Å; V180-L219 HydrophobicContact CG1-CB 4.08Å; V180-L219 HydrophobicContact CG1-CD1 4.08Å; V180-L219 HydrophobicContact CG1-CD2 4.08Å; V180-L219 HydrophobicContact CG1-CG 4.31Å; L181-L219 CarbonylContact O-C 3.55Å; L181-L219 VanDerWaalsContact O-CA 3.29Å; L181-L219 WeakPolarHBondContact O-CA 3.39Å; L182-L219 HydrophobicContact CB-CD2 3.8Å; L182-L219 HydrophobicContact CD1-CD2 3.95Å; L182-L219 HydrophobicContact CG-CD2 3.93Å; L219-F237 HydrophobicContact CD1-CB 4.12Å; L219-F237 HydrophobicContact CD1-CD1 4.2Å; L219-F237 HydrophobicContact CD1-CD2 3.72Å; L219-F237 HydrophobicContact CD1-CE2 4.14Å; L219-F237 HydrophobicContact CD1-CG 3.77Å; L219-F237 HydrophobicContact CD2-CE2 4.31Å; L219-F237 HydrophobicContact CD2-CZ 4.48Å; L219-F237 HydrophobicContact CG-CD1 4.34Å; L219-F237 HydrophobicContact CG-CD2 4.25Å; L219-F237 HydrophobicContact CG-CE1 4.28Å; L219-F237 HydrophobicContact CG-CE2 4.19Å; L219-F237 HydrophobicContact CG-CG 4.33Å; L219-F237 HydrophobicContact CG-CZ 4.21Å
220A98.8Very high96Very high8 Ų850.9 Ų50.97%0.06626%0.26CS..EExtended strand (participates in β ladder)trans-140.5163.7176.400000110.7S136 V180 L181 Y183S136-A220 CarbonylContact O-C 3.55Å; S136-A220 VanDerWaalsContact O-CA 3.23Å; S136-A220 WeakPolarHBondContact O-CA 3.29Å; S136-A220 WeakPolarHBondContact O-CB 3.34Å; V180-A220 WeakPolarHBondContact CA-O 3.44Å; L181-A220 HydrophobicContact CB-CB 4.46Å; L181-A220 PolarHBondContact N-O 3.11Å; L181-A220 PolarHBondContact O-N 2.83Å; Y183-A220 HydrophobicContact CD2-CB 4.13Å; Y183-A220 HydrophobicContact CE2-CB 3.93Å
221V98.7Very high95.3Very high4 Ų453.4 Ų53.42%0.02428%0.278CS..EExtended strand (participates in β ladder)trans-110.1159.1170.3-67.30000110.5P132 A133 N135 S136 I138 L178 C179P132-V221 HydrophobicContact CB-CG2 4.01Å; P132-V221 HydrophobicContact CG-CG1 4.34Å; A133-V221 VanDerWaalsContact O-CG2 3.25Å; A133-V221 WeakPolarHBondContact O-CG2 3.29Å; N135-V221 VanDerWaalsContact CA-O 3.24Å; N135-V221 WeakPolarHBondContact CA-O 3.11Å; S136-V221 PolarHBondContact N-O 2.94Å; S136-V221 PolarHBondContact O-N 2.85Å; I138-V221 HydrophobicContact CD1-CG1 3.7Å; I138-V221 HydrophobicContact CG1-CG1 3.75Å; L178-V221 HydrophobicContact CD1-CG1 3.78Å; C179-V221 WeakPolarHBondContact O-CA 3.32Å
222N98.1Very high94.6Very high42 Ų4257 Ų5723%0.22532%0.315CS..EExtended strand (participates in β ladder)trans-102.6-146166.363.82.5000109.7N135 C179 L181 Y224N135-N222 PolarHBondContact N-O 3.4Å; N135-N222 WeakPolarHBondContact OD1-CA 3.27Å; C179-N222 WeakPolarHBondContact CB-OD1 3.36Å; L181-N222 HydrophobicContact CD1-CB 4.09Å; N222-Y224 PolarHBondContact O-N 2.99Å; N222-Y224 WeakPolarHBondContact OD1-CA 3.48Å; N222-Y224 WeakPolarHBondContact OD1-CB 3.25Å; N222-Y224 PolarHBondContact OD1-N 2.94Å; N222-Y224 PolarHBondContact OD1-O 3.29Å
223D97.8Very high94Very high112 Ų11253.5 Ų53.560%0.59930%0.301SS*.EExtended strand (participates in β ladder)trans-66.2-14.1173.9-56.6-49000113.7N135 Y225N135-D223 PolarHBondContact ND2-OD1 2.92Å; D223-Y225 VanDerWaalsContact O-CD1 3.31Å; D223-Y225 WeakPolarHBondContact O-CD1 3.49Å
224Y97.6Very high93.8Very high99 Ų9954.3 Ų54.339%0.38830%0.302SS..EExtended strand (participates in β ladder)trans-100.893.9169.1-61.6-21.2000108.8N177 L178 C179 H195 N222N177-Y224 HydrophobicContact CB-CD1 3.88Å; N177-Y224 HydrophobicContact CB-CD2 4.17Å; N177-Y224 HydrophobicContact CB-CE1 4.42Å; N177-Y224 HydrophobicContact CB-CG 3.76Å; N177-Y224 CarbonylContact O-C 3.56Å; L178-Y224 WeakPolarHBondContact CA-O 3.32Å; C179-Y224 PolarHBondContact N-O 3.34Å; H195-Y224 AromaticContact NE2-CD2 3.86Å; H195-Y224 AromaticContact NE2-CE2 3.55Å; N222-Y224 PolarHBondContact O-N 2.99Å; N222-Y224 WeakPolarHBondContact OD1-CA 3.48Å; N222-Y224 WeakPolarHBondContact OD1-CB 3.25Å; N222-Y224 PolarHBondContact OD1-N 2.94Å; N222-Y224 PolarHBondContact OD1-O 3.29Å
225Y97.9Very high93.8Very high91 Ų9152.4 Ų52.436%0.35728%0.282SS..EExtended strand (participates in β ladder)trans-120.26.8-164.963.6-88.2000114.5P131 P132 P134 N177 D223 M227P131-Y225 HydrophobicContact CB-CD2 3.98Å; P131-Y225 HydrophobicContact CB-CE2 4.24Å; P131-Y225 HydrophobicContact CG-CD2 4.18Å; P131-Y225 HydrophobicContact CG-CE2 3.93Å; P132-Y225 WeakPolarHBondContact CD-O 3.44Å; P132-Y225 WeakPolarHBondContact O-CD2 3.35Å; P134-Y225 HydrophobicContact CB-CD1 4.02Å; P134-Y225 HydrophobicContact CB-CE1 4.37Å; P134-Y225 HydrophobicContact CG-CD1 3.77Å; P134-Y225 HydrophobicContact CG-CE1 3.7Å; P134-Y225 HydrophobicContact CG-CE2 4.48Å; P134-Y225 HydrophobicContact CG-CG 4.22Å; N177-Y225 PolarHBondContact O-N 2.9Å; D223-Y225 VanDerWaalsContact O-CD1 3.31Å; D223-Y225 WeakPolarHBondContact O-CD1 3.49Å; Y225-M227 PolarHBondContact O-N 2.96Å
226D96.4Very high93.8Very high19 Ų1952.4 Ų52.410%0.10228%0.284CS..  trans-66.5127.6-175.6-179.553.8000112H174 T175 A176 N177 L178 V228H174-D226 WeakPolarHBondContact CB-O 3.39Å; T175-D226 PolarHBondContact N-OD2 2.79Å; A176-D226 HydrophobicContact CB-CB 3.78Å; A176-D226 PolarHBondContact N-OD2 2.71Å; N177-D226 PolarHBondContact O-N 3.2Å; L178-D226 VanDerWaalsContact CB-O 3.32Å; L178-D226 WeakPolarHBondContact CB-O 3.32Å; L178-D226 VanDerWaalsContact CD1-O 3.29Å; L178-D226 WeakPolarHBondContact CD1-O 3.38Å; L178-D226 WeakPolarHBondContact CD2-O 3.34Å; L178-D226 WeakPolarHBondContact CG-O 3.43Å; D226-V228 WeakPolarHBondContact OD1-CB 3.04Å; D226-V228 WeakPolarHBondContact OD1-CG2 3.46Å; D226-V228 PolarHBondContact OD1-N 3.09Å
227M95.8Very high93.8Very high6 Ų649.4 Ų49.43%0.0327%0.27CS..  trans-135.931.1171.7-63.2-175.467.600110.4P132 I138 A172 S173 L178 Y225 G229P132-M227 HydrophobicContact CG-CG 4.15Å; P132-M227 HydrophobicContact CG-SD 3.53Å; P132-M227 VanDerWaalsContact CG-SD 3.53Å; I138-M227 HydrophobicContact CB-SD 4.47Å; I138-M227 HydrophobicContact CD1-SD 3.87Å; I138-M227 HydrophobicContact CG1-SD 3.94Å; I138-M227 HydrophobicContact CG2-CE 3.9Å; I138-M227 HydrophobicContact CG2-SD 3.63Å; A172-M227 HydrophobicContact CB-CE 3.96Å; S173-M227 CarbonylContact O-C 3.42Å; S173-M227 WeakPolarHBondContact O-CA 3.47Å; L178-M227 HydrophobicContact CD1-CG 3.91Å; L178-M227 HydrophobicContact CD2-CG 4.07Å; Y225-M227 PolarHBondContact O-N 2.96Å; M227-G229 PolarHBondContact O-N 3.46Å
228V88.8Confident93.8Very high44 Ų4450.4 Ų50.427%0.26728%0.277SS..  trans-89.391.2176.8-173.40000107.9H129 P131 T175 D226H129-V228 WeakPolarHBondContact O-CG2 3.36Å; P131-V228 HydrophobicContact CB-CG2 4.12Å; P131-V228 HydrophobicContact CG-CG2 4.22Å; T175-V228 VanDerWaalsContact CG2-O 3.24Å; T175-V228 WeakPolarHBondContact CG2-O 3.45Å; T175-V228 PolarHBondContact OG1-O 2.68Å; D226-V228 WeakPolarHBondContact OD1-CB 3.04Å; D226-V228 WeakPolarHBondContact OD1-CG2 3.46Å; D226-V228 PolarHBondContact OD1-N 3.09Å
229G78.2Confident93.8Very high20 Ų2048.8 Ų48.821%0.20627%0.27CS..PPolyproline II helixtrans-71.9157171.600000112.4N200 M227N200-G229 WeakPolarHBondContact OD1-CA 3.44Å; M227-G229 PolarHBondContact O-N 3.46Å
230I84.1Confident93.8Very high97 Ų9752.1 Ų52.150%0.49729%0.285SS..PPolyproline II helixtrans-68.1164.9167.162.3175000110.9T175 N200 G232 S233T175-I230 HydrophobicContact CG2-CG2 4.03Å; N200-I230 HydrophobicContact CB-CB 4.4Å; N200-I230 HydrophobicContact CB-CD1 3.89Å; N200-I230 HydrophobicContact CB-CG1 3.88Å; N200-I230 HydrophobicContact CB-CG2 3.81Å; N200-I230 PolarHBondContact OD1-N 3.32Å; I230-G232 PolarHBondContact O-N 2.71Å; I230-G232 VanDerWaalsContact O-N 3.17Å; I230-S233 WeakPolarHBondContact O-CB 3.24Å; I230-S233 PolarHBondContact O-N 3.39Å
231Q84Confident93.7Very high201 Ų20152.9 Ų52.994%0.93929%0.288SS*.THydrogen-bonded Turntrans-53.9124173-170.5177.921.100110.5
232G83.8Confident93.5Very high74 Ų7455.9 Ų55.976%0.76330%0.303SS*.THydrogen-bonded Turntrans86.64.2-17600000115.2I230I230-G232 PolarHBondContact O-N 2.71Å; I230-G232 VanDerWaalsContact O-N 3.17Å
233S84.9Confident93.3Very high26 Ų2659.6 Ų59.618%0.18232%0.318CS..  trans-115.198.4174.4-154.90000110.8S173 N200 I230S173-S233 WeakPolarHBondContact CB-O 3.37Å; S173-S233 WeakPolarHBondContact CB-OG 3.46Å; S173-S233 PolarHBondContact OG-OG 3.24Å; N200-S233 PolarHBondContact ND2-OG 3.27Å; I230-S233 WeakPolarHBondContact O-CB 3.24Å; I230-S233 PolarHBondContact O-N 3.39Å
234D93.6Very high93Very high117 Ų11758 Ų5863%0.62631%0.313SS*.  trans-96.2158.5-174.4-59.8-60.5000113S173S173-D234 PolarHBondContact OG-O 2.85Å; S173-D234 VanDerWaalsContact OG-O 3.09Å
235S97.6Very high92.7Very high7 Ų758.5 Ų58.55%0.04932%0.323CS..EExtended strand (participates in β ladder)trans-105.1128.8171.1-64.50000111T125 R126 H171 A172 S173T125-S235 VanDerWaalsContact CA-O 3.25Å; T125-S235 WeakPolarHBondContact CA-O 3.38Å; R126-S235 PolarHBondContact N-O 3.28Å; H171-S235 CarbonylContact O-C 3.59Å; H171-S235 WeakPolarHBondContact O-CA 3.33Å; A172-S235 WeakPolarHBondContact CA-OG 3.37Å; S173-S235 PolarHBondContact N-OG 3.36Å; S173-S235 VanDerWaalsContact N-OG 3.08Å
236V98.3Very high92.4Very high34 Ų3456.9 Ų56.921%0.20632%0.321CS..EExtended strand (participates in β ladder)trans-128.9144.8-175.463.90000111.7T123 V124 T125 Y170 H171T123-V236 HydrophobicContact CG2-CG2 3.38Å; V124-V236 WeakPolarHBondContact O-CA 3.26Å; T125-V236 HydrophobicContact CG2-CB 4.17Å; T125-V236 HydrophobicContact CG2-CG2 4.1Å; Y170-V236 VanDerWaalsContact CA-O 3.25Å; Y170-V236 WeakPolarHBondContact CA-O 3.5Å; Y170-V236 WeakPolarHBondContact CB-O 3.35Å; H171-V236 HydrophobicContact CB-CG1 3.84Å; H171-V236 PolarHBondContact N-O 3.17Å; H171-V236 PolarHBondContact O-N 2.89Å
237F98.8Very high92.2Very high1 Ų158.9 Ų58.90%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-132.1128.9170.9176.6-140000109.7F122 T123 V124 F140 Y151 F168 V169 V217 L219F122-F237 AromaticContact CE2-CD1 3.71Å; F122-F237 HydrophobicContact CE2-CD1 3.71Å; F122-F237 AromaticContact CE2-CE1 3.81Å; F122-F237 HydrophobicContact CE2-CE1 3.81Å; F122-F237 HydrophobicContact CE2-CG 4.11Å; F122-F237 HydrophobicContact CE2-CZ 4.31Å; F122-F237 HydrophobicContact CZ-CD1 4.1Å; F122-F237 AromaticContact CZ-CE1 3.71Å; F122-F237 HydrophobicContact CZ-CE1 3.71Å; F122-F237 HydrophobicContact CZ-CE2 4.4Å; F122-F237 AromaticContact CZ-CZ 3.88Å; F122-F237 HydrophobicContact CZ-CZ 3.88Å; T123-F237 WeakPolarHBondContact CA-O 3.34Å; V124-F237 HydrophobicContact CG2-CB 4.12Å; V124-F237 HydrophobicContact CG2-CD1 4.34Å; V124-F237 WeakPolarHBondContact CG2-O 3.37Å; V124-F237 PolarHBondContact N-O 3.18Å; V124-F237 PolarHBondContact O-N 3.33Å; F140-F237 HydrophobicContact CD1-CB 4Å; F140-F237 HydrophobicContact CD2-CB 4.05Å; F140-F237 HydrophobicContact CD2-CD1 4.28Å; F140-F237 HydrophobicContact CE1-CB 3.68Å; F140-F237 HydrophobicContact CE2-CB 3.73Å; F140-F237 HydrophobicContact CE2-CD1 4.22Å; F140-F237 HydrophobicContact CE2-CG 4.27Å; F140-F237 HydrophobicContact CG-CB 4.2Å; F140-F237 HydrophobicContact CZ-CB 3.54Å; F140-F237 HydrophobicContact CZ-CG 4.45Å; Y151-F237 HydrophobicContact CD2-CD1 4.25Å; Y151-F237 HydrophobicContact CD2-CE1 4.21Å; Y151-F237 AromaticContact CE2-CD1 3.82Å; Y151-F237 HydrophobicContact CE2-CD1 3.82Å; Y151-F237 AromaticContact CE2-CE1 3.98Å; Y151-F237 HydrophobicContact CE2-CE1 3.98Å; F168-F237 HydrophobicContact CB-CE2 4.15Å; F168-F237 HydrophobicContact CD1-CE2 4.04Å; F168-F237 AromaticContact CD1-CZ 3.79Å; F168-F237 HydrophobicContact CD1-CZ 3.79Å; V169-F237 WeakPolarHBondContact O-CD2 3.42Å; V217-F237 HydrophobicContact CG1-CZ 4.48Å; L219-F237 HydrophobicContact CD1-CB 4.12Å; L219-F237 HydrophobicContact CD1-CD1 4.2Å; L219-F237 HydrophobicContact CD1-CD2 3.72Å; L219-F237 HydrophobicContact CD1-CE2 4.14Å; L219-F237 HydrophobicContact CD1-CG 3.77Å; L219-F237 HydrophobicContact CD2-CE2 4.31Å; L219-F237 HydrophobicContact CD2-CZ 4.48Å; L219-F237 HydrophobicContact CG-CD1 4.34Å; L219-F237 HydrophobicContact CG-CD2 4.25Å; L219-F237 HydrophobicContact CG-CE1 4.28Å; L219-F237 HydrophobicContact CG-CE2 4.19Å; L219-F237 HydrophobicContact CG-CG 4.33Å; L219-F237 HydrophobicContact CG-CZ 4.21Å
238S98.8Very high92Very high20 Ų2061.8 Ų61.814%0.1435%0.35CS..EExtended strand (participates in β ladder)trans-127.2148.5-179.2-64.50000111F122 T123 F168 V169F122-S238 VanDerWaalsContact O-CA 3.23Å; F122-S238 WeakPolarHBondContact O-CA 3.18Å; T123-S238 WeakPolarHBondContact CB-OG 3.34Å; T123-S238 WeakPolarHBondContact CG2-OG 3.28Å; T123-S238 PolarHBondContact OG1-OG 2.68Å; F168-S238 WeakPolarHBondContact CA-O 3.48Å; V169-S238 PolarHBondContact N-O 2.91Å; V169-S238 PolarHBondContact O-N 3.04Å
239G98.7Very high92.2Very high0 Ų062.9 Ų62.90%036%0.355CS..EExtended strand (participates in β ladder)trans-151.1143.617100000111.3V121 F122 Y167V121-G239 CarbonylContact C-O 3.51Å; V121-G239 WeakPolarHBondContact CA-O 3.32Å; F122-G239 WeakPolarHBondContact CD1-O 3.5Å; F122-G239 VanDerWaalsContact CE1-CA 3.4Å; F122-G239 PolarHBondContact N-O 2.99Å; F122-G239 PolarHBondContact O-N 3.16Å; Y167-G239 WeakPolarHBondContact O-CA 3.39Å
240F98.2Very high93.1Very high72 Ų7265.6 Ų65.632%0.31636%0.364SS..EExtended strand (participates in β ladder)trans-152.5147.8178.252-89.5000112.9S120 V121 Y166 Y167 L242S120-F240 CarbonylContact O-C 3.44Å; S120-F240 VanDerWaalsContact O-CA 3.23Å; S120-F240 WeakPolarHBondContact O-CA 3.37Å; V121-F240 HydrophobicContact CB-CB 4.13Å; V121-F240 HydrophobicContact CG2-CB 4.06Å; Y166-F240 WeakPolarHBondContact CA-O 3.33Å; Y167-F240 AromaticContact CD1-CE1 3.66Å; Y167-F240 HydrophobicContact CD1-CE1 3.66Å; Y167-F240 HydrophobicContact CD1-CE2 4.28Å; Y167-F240 AromaticContact CD1-CZ 3.45Å; Y167-F240 HydrophobicContact CD1-CZ 3.45Å; Y167-F240 VanDerWaalsContact CD1-CZ 3.45Å; Y167-F240 HydrophobicContact CE1-CE1 4.48Å; Y167-F240 HydrophobicContact CE1-CZ 4.35Å; Y167-F240 HydrophobicContact CG-CZ 4.22Å; Y167-F240 PolarHBondContact N-O 2.78Å; Y167-F240 PolarHBondContact O-N 3.09Å; F240-L242 HydrophobicContact CD2-CD2 3.88Å; F240-L242 HydrophobicContact CD2-CG 4.28Å; F240-L242 HydrophobicContact CE2-CD2 3.56Å; F240-L242 HydrophobicContact CE2-CG 4.22Å
241L97.4Very high93.7Very high24 Ų2463.5 Ų63.513%0.12636%0.355CS..EExtended strand (participates in β ladder)trans-75.5127.2174.9177.863.5000110.1S120 V162 Y166 P244S120-L241 PolarHBondContact O-N 3.49Å; V162-L241 HydrophobicContact CB-CD2 3.9Å; V162-L241 HydrophobicContact CG1-CD2 3.48Å; V162-L241 VanDerWaalsContact CG1-CD2 3.48Å; Y166-L241 HydrophobicContact CD1-CB 4.16Å; Y166-L241 HydrophobicContact CD2-CD1 3.96Å; Y166-L241 HydrophobicContact CE1-CB 3.71Å; Y166-L241 HydrophobicContact CE1-CD1 4.45Å; Y166-L241 HydrophobicContact CE2-CB 4.39Å; Y166-L241 HydrophobicContact CE2-CD1 3.61Å; L241-P244 HydrophobicContact CD2-CB 4.22Å; L241-P244 HydrophobicContact CD2-CG 3.82Å; L241-P244 HydrophobicContact CG-CG 4.27Å
242L94.8Very high94.4Very high67 Ų6753.6 Ų53.635%0.35131%0.313SS..EExtended strand (participates in β ladder)trans-97.2-53176.3-69.5172.9000111.8L165 L208 F240L165-L242 HydrophobicContact CD2-CD1 4.4Å; L165-L242 WeakPolarHBondContact O-CB 3.24Å; L165-L242 PolarHBondContact O-N 3.4Å; L208-L242 HydrophobicContact CD2-CD1 3.39Å; F240-L242 HydrophobicContact CD2-CD2 3.88Å; F240-L242 HydrophobicContact CD2-CG 4.28Å; F240-L242 HydrophobicContact CE2-CD2 3.56Å; F240-L242 HydrophobicContact CE2-CG 4.22Å
243F93.2Very high95.2Very high121 Ų12152.1 Ų52.153%0.53128%0.279SS..EExtended strand (participates in β ladder)trans-131.3101.9-176.1-52.3-59.6000109G164 L165G164-F243 CarbonylContact C-O 3.48Å; G164-F243 WeakPolarHBondContact CA-O 3.39Å; L165-F243 HydrophobicContact CB-CB 4.22Å; L165-F243 HydrophobicContact CB-CD2 4.03Å; L165-F243 HydrophobicContact CD2-CD2 3.54Å; L165-F243 HydrophobicContact CD2-CE2 3.86Å; L165-F243 HydrophobicContact CG-CD2 4.38Å; L165-F243 PolarHBondContact N-O 3.35Å; L165-F243 PolarHBondContact O-N 2.72Å
244P92.6Very high96Very high77 Ų7754.3 Ų54.350%0.529%0.287SS..EExtended strand (participates in β ladder)trans-56143169.4-18.128.7000110.8V162 L241V162-P244 HydrophobicContact CG1-CB 4.43Å; L241-P244 HydrophobicContact CD2-CB 4.22Å; L241-P244 HydrophobicContact CD2-CG 3.82Å; L241-P244 HydrophobicContact CG-CG 4.27Å
245D90.2Very high96.2Very high111 Ų11148.5 Ų48.559%0.59426%0.256SS*.  trans-69.30174.7-79.7-11.1000113.1P163 G164 R210 Q212P163-D245 HydrophobicContact CB-CB 4.09Å; P163-D245 HydrophobicContact CG-CB 4.18Å; P163-D245 PolarHBondContact O-N 2.79Å; G164-D245 WeakPolarHBondContact CA-OD1 3.38Å; R210-D245 IonicContact CZ-OD1 2.68Å; R210-D245 IonicContact NE-OD1 2.73Å; R210-D245 PolarHBondContact NE-OD1 3.07Å; R210-D245 IonicContact NE-OD2 3.09Å; R210-D245 PolarHBondContact NE-OD2 2.93Å; R210-D245 VanDerWaalsContact NH2-CG 3.34Å; R210-D245 IonicContact NH2-OD1 2.73Å; R210-D245 PolarHBondContact NH2-OD1 2.87Å; R210-D245 IonicContact NH2-OD2 3.49Å; Q212-D245 PolarHBondContact NE2-OD2 3.44Å

Retrieved 245 of 245 residues in 464.8 ms (Link to these results)