A0A077ZCG4_TRITR Loading...

Anillin homology domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZCG4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 535 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.5Very low31.4Very low233 Ų233165.2 Ų165.2100%1.14883%0.834SS**  062.60-65.9176.7172.700107.4
2T32.1Very low31Very low142 Ų142156.9 Ų156.987%0.87182%0.821SS**  83.587.791.744.90000112.9
3N28.5Very low30.7Very low155 Ų155156.4 Ų156.483%0.82982%0.82SS**  trans-46.6150158-63.7-34.2000112.4
4Q33.1Very low30.7Very low178 Ų178155.6 Ų155.683%0.83282%0.817SS**  -164.6120.9128.8-11017212.800112.7
5V30Very low30.5Very low129 Ų129155.1 Ų155.178%0.78281%0.806SS**  trans-69.4139.2161.3169.80000108.8
6R33.1Very low30.4Very low232 Ų232158.2 Ų158.288%0.87581%0.805SS**  trans-144.5123.9156.2-91.1-172173.8168-2110.5
7T31Very low30.2Very low108 Ų108154.7 Ų154.766%0.66380%0.799SS**  trans-92.3169.6166.747.10000111
8D28Very low29.9Very low131 Ų131153.2 Ų153.270%0.70180%0.802SS**  trans91.1116.5152.8-56-37.1000120.3
9E28.3Very low29.6Very low169 Ų169150.3 Ų150.379%0.7980%0.803SS**  trans50.2112132.6-62-174.6150.300118.5
10Q29.9Very low29.4Very low168 Ų168153.4 Ų153.479%0.78581%0.809SS**  162.7149.6114.9-87.4176.213.900110.3
11L31.9Very low29.2Very low172 Ų172154.4 Ų154.490%0.90181%0.81SS**  trans79.2115.4166.8-55.5130.5000114.6
12G27Very low28.4Very low66 Ų66149.2 Ų149.268%0.6879%0.791SS**  cis119.5105.626.200000108.8
13N26.8Very low28.1Very low150 Ų150152.2 Ų152.280%0.80279%0.792SS**  trans54.9119.8152.2-62.6-15.6000120.4
14N31.3Very low27.9Very low146 Ų146149.1 Ų149.178%0.78178%0.783SS**  154.4148.4122.7-79.5-21.2000109.8
15F26.8Very low27.5Very low148 Ų148146 Ų14665%0.64978%0.776SS**  cis179.6154.4-27.8-136.9-76.8000104.4
16Y29.2Very low27.2Very low204 Ų204148.8 Ų148.880%0.878%0.781SS**  trans75.5140.8165.8-62.5-73.5000119.1
17S26.3Very low26.9Very low99 Ų99146.5 Ų146.569%0.69278%0.78SS**  cis-172.2143.3-6.961.50000108.9
18C24.8Very low26.7Very low127 Ų127147.5 Ų147.586%0.85879%0.788SS**  trans-167.1110.4136.3-121.90000112.6
19A25.3Very low26.6Very low98 Ų98145.4 Ų145.481%0.8179%0.789SS**  trans53.889.6146.700000120.3
20F25.1Very low26.5Very low212 Ų212145.7 Ų145.793%0.9380%0.795SS**PPolyproline II helixtrans-102.2116.8144-103.2-91.9000108.1
21Q25.1Very low26.4Very low176 Ų176143.5 Ų143.582%0.82279%0.789SS**PPolyproline II helixtrans-86.7117.9167.6-119.3175-1.100108.5
22T24Very low26.2Very low124 Ų124144.5 Ų144.576%0.76179%0.789SS**PPolyproline II helixtrans-62.3130167.940.80000111.6
23F25.3Very low26.4Very low204 Ų204150.3 Ų150.390%0.89580%0.798SS**  trans-122.6121.5146.7-87.4-80.4000108.7
24S23.9Very low26.5Very low91 Ų91151.9 Ų151.964%0.63679%0.794SS**  trans-89.1143.7-177.5-178.80000109.7
25T24.5Very low26.3Very low113 Ų113156 Ų15669%0.69380%0.799SS**  trans59.1129.9141.851.30000120.4
26E24.1Very low26.4Very low186 Ų186157 Ų15787%0.86981%0.809SS**  trans96.3115.1157.6-64.9172.4-178.700117.5
27E26.3Very low26.2Very low185 Ų185158 Ų15886%0.86481%0.811SS**  trans68.6128.4166.5-60.2-169.9154.100119.8
28P26.9Very low26.1Very low129 Ų129157.6 Ų157.684%0.83881%0.809SS**  -125.7104.7129.832-19.6000110.1
29A26.9Very low26.2Very low87 Ų87160.3 Ų160.372%0.71981%0.808SS**  48.596.4119.700000115.9
30L25.2Very low26.3Very low174 Ų174162.6 Ų162.691%0.91181%0.806SS**SBend-35.9141.2129.7-76.3127.9000109.9
31D27.6Very low26.4Very low122 Ų122158.1 Ų158.165%0.65280%0.798SS**  trans110.637.8159.7-142.121.2000119.6
32E28.4Very low26.5Very low193 Ų193157.1 Ų157.190%0.90279%0.794SS**  trans-87.22.2162.9-90.2-169.9161.600114.6Y34E32-Y34 VanDerWaalsContact C-N 3.34Å; E32-Y34 PolarHBondContact O-N 2.95Å
33H31.1Very low26.5Very low188 Ų188158.8 Ų158.887%0.8780%0.797SS**SBendtrans-82.9-0.7177.6-104-67.9000114.8
34Y28.1Very low26.6Very low184 Ų184157.2 Ų157.272%0.72279%0.79SS**SBendtrans-123.56.1-173.1-97.1-81.3000117.8E32E32-Y34 VanDerWaalsContact C-N 3.34Å; E32-Y34 PolarHBondContact O-N 2.95Å
35R27.5Very low26.7Very low232 Ų232155.4 Ų155.488%0.87578%0.777SS**  trans-93.37.8-176.1-103.8-179.3178.3175.61.5117.8R37R35-R37 PolarHBondContact O-N 2.87Å
36I28.3Very low26.9Very low170 Ų170158.7 Ų158.787%0.87278%0.778SS**  trans-86.253.5169.2-45.3177.6000110.2
37R25.5Very low27.2Very low223 Ų223153 Ų15384%0.84276%0.76SS**SBendtrans-147.377.1168.4-82.6-165.4179.8-179.21.9109.2R35R35-R37 PolarHBondContact O-N 2.87Å
38S25Very low27.4Very low92 Ų92153.9 Ų153.964%0.64376%0.755SS**  trans159.995.9153.343.70000106.9
39H26.8Very low27.7Very low183 Ų183154.5 Ų154.585%0.84775%0.745SS**  trans-179.272.3147.3-72.3-36.4000104.7P41H39-P41 WeakPolarHBondContact O-CD 3.35Å
40L25.9Very low27.9Very low147 Ų147155.7 Ų155.777%0.7774%0.735SS**  trans-55.5116.5158.5-94.4128.4000107.3Q42L40-Q42 PolarHBondContact O-N 3.47Å
41P26.9Very low28.2Very low117 Ų117155.3 Ų155.376%0.7673%0.726SS**  trans-68111.3142.12.517000103.7H39 L43H39-P41 WeakPolarHBondContact O-CD 3.35Å; P41-L43 PolarHBondContact O-N 3.21Å
42Q27Very low28.4Very low155 Ų155156.2 Ų156.272%0.72473%0.727SS**  trans-38.5116.7171.4-71.5174.8-8.600108.6L40 F44L40-Q42 PolarHBondContact O-N 3.47Å; Q42-F44 VanDerWaalsContact C-N 3.27Å; Q42-F44 PolarHBondContact O-N 3.07Å
43L25.8Very low28.7Very low159 Ų159153.1 Ų153.183%0.83272%0.715SS**  trans-52.697.1169.8-78.1157.1000107P41 S45P41-L43 PolarHBondContact O-N 3.21Å; L43-S45 PolarHBondContact O-N 3.1Å
44F25.9Very low28.8Very low171 Ų171150.4 Ų150.475%0.7570%0.703SS**  trans-65.693.5161.7-88.7-84.1000105.9Q42 Y46Q42-F44 VanDerWaalsContact C-N 3.27Å; Q42-F44 PolarHBondContact O-N 3.07Å; F44-Y46 PolarHBondContact O-N 3.46Å
45S27.8Very low29.1Very low53 Ų53144.8 Ų144.837%0.37170%0.695SS.*  trans-55.2116.1169.169.30000107.1L43 S47 R48L43-S45 PolarHBondContact O-N 3.1Å; S45-S47 WeakPolarHBondContact CB-OG 3.49Å; S45-S47 PolarHBondContact O-N 2.99Å; S45-S47 PolarHBondContact OG-OG 3.43Å; S45-R48 PolarHBondContact O-N 3.46Å
46Y28.4Very low29.3Very low182 Ų182139.7 Ų139.771%0.71469%0.685SS**Hα-helixtrans-51.9-19.4173.7-134.2-99.2000112F44 R48 Q50F44-Y46 PolarHBondContact O-N 3.46Å; Y46-R48 PolarHBondContact O-N 3.46Å; Y46-Q50 PolarHBondContact O-N 3.32Å
47S29.8Very low29.3Very low68 Ų68139.2 Ų139.248%0.47668%0.684SS.*Hα-helixtrans-70.9-17.5172.652.70000116.1S45S45-S47 WeakPolarHBondContact CB-OG 3.49Å; S45-S47 PolarHBondContact O-N 2.99Å; S45-S47 PolarHBondContact OG-OG 3.43Å
48R31.6Very low29.4Very low202 Ų202139.5 Ų139.576%0.76269%0.685SS**Hα-helixtrans-88.8-28.8173.8-87.1-172.6176.11800.1112.8S45 Y46 H52S45-R48 PolarHBondContact O-N 3.46Å; Y46-R48 PolarHBondContact O-N 3.46Å; R48-H52 PolarHBondContact O-N 2.88Å
49F31.4Very low29.3Very low143 Ų143147 Ų14763%0.62770%0.699SS**Hα-helixtrans-76.6-35.6177.5-137.8-95.9000111.8H52 L53F49-H52 PolarHBondContact O-N 3.3Å; F49-L53 HydrophobicContact CD1-CD1 3.8Å; F49-L53 HydrophobicContact CE1-CD1 4Å; F49-L53 PolarHBondContact O-N 3.42Å; F49-L53 VanDerWaalsContact O-N 3.16Å
50Q31.8Very low29.3Very low112 Ų112144.9 Ų144.952%0.52370%0.699SS.*Hα-helixtrans-71.6-34.4177.1-161.1159.8-2.400112.8Y46 H52 E54Y46-Q50 PolarHBondContact O-N 3.32Å; Q50-H52 VanDerWaalsContact C-N 3.32Å; Q50-H52 PolarHBondContact O-N 3.29Å; Q50-E54 WeakPolarHBondContact O-CB 3.34Å; Q50-E54 WeakPolarHBondContact O-CG 3.33Å; Q50-E54 PolarHBondContact O-N 3.47Å; Q50-E54 VanDerWaalsContact O-N 3.13Å
51K31.3Very low29Very low165 Ų165141.4 Ų141.472%0.71770%0.698SS**Hα-helixtrans-72.3-19.6171.5-88-173.2173.7-175.90114.3A55K51-A55 WeakPolarHBondContact O-CB 3.4Å; K51-A55 PolarHBondContact O-N 3.35Å
52H32.6Very low28.9Very low142 Ų142143.5 Ų143.566%0.65770%0.702SS**Hα-helixtrans-88.3-26175.7-115.8-20.7000113.5R48 F49 Q50R48-H52 PolarHBondContact O-N 2.88Å; F49-H52 PolarHBondContact O-N 3.3Å; Q50-H52 VanDerWaalsContact C-N 3.32Å; Q50-H52 PolarHBondContact O-N 3.29Å
53L33.7Very low28.7Very low128 Ų128147.6 Ų147.667%0.6771%0.711SS**Hα-helixtrans-80.2-29171.9-90.6148000112.9F49F49-L53 HydrophobicContact CD1-CD1 3.8Å; F49-L53 HydrophobicContact CE1-CD1 4Å; F49-L53 PolarHBondContact O-N 3.42Å; F49-L53 VanDerWaalsContact O-N 3.16Å
54E34.6Very low28.5Very low131 Ų131146.8 Ų146.861%0.61271%0.712SS**SBendtrans-84-14176.4-70.5170.6-175.300113.4Q50Q50-E54 WeakPolarHBondContact O-CB 3.34Å; Q50-E54 WeakPolarHBondContact O-CG 3.33Å; Q50-E54 PolarHBondContact O-N 3.47Å; Q50-E54 VanDerWaalsContact O-N 3.13Å
55A33.4Very low28.4Very low66 Ų66144.1 Ų144.155%0.54572%0.715SS.*SBendtrans-95.2-9.6-178.200000115.2K51K51-A55 WeakPolarHBondContact O-CB 3.4Å; K51-A55 PolarHBondContact O-N 3.35Å
56N31.4Very low28.2Very low125 Ų125151.3 Ų151.367%0.66874%0.739SS**  trans-112.454.4-179-81.9-23.4000112.6R58N56-R58 PolarHBondContact O-N 3.41Å
57N29.5Very low28Very low159 Ų159147.6 Ų147.685%0.8574%0.74SS**  trans-74.941.3166.8-107.8-21.1000112.7
58R27.5Very low27.8Very low229 Ų229150.3 Ų150.386%0.86476%0.757SS**SBendtrans-138.3106.2177.5-74.9-172.3176.7-179.9-0.7111.5N56 V60N56-R58 PolarHBondContact O-N 3.41Å; R58-V60 PolarHBondContact O-N 3.5Å
59R23Very low27.4Very low251 Ų251148.9 Ų148.995%0.94776%0.764SS**  trans0.7110.1155.8-71177175-179.9-2115.8
60V25.4Very low27.3Very low137 Ų137151.7 Ų151.783%0.8378%0.776SS**  trans-140108.8143.4-174.80000107.7R58R58-V60 PolarHBondContact O-N 3.5Å
61G20.6Very low27.1Very low74 Ų74150.4 Ų150.476%0.76379%0.785SS**  trans-82.8142.6174.200000111.1
62I24.4Very low26.8Very low162 Ų162147.6 Ų147.683%0.83179%0.785SS**  trans-128.9125.1159.1-62.9-177.6000108
63R23Very low26.6Very low241 Ų241151.5 Ų151.591%0.90979%0.794SS**  trans-58.2138.6-175.3-76.9170.8165.2168.3-5.7112.8
64T21.5Very low26.3Very low141 Ų141151.8 Ų151.887%0.86580%0.797SS**  trans-87.2133.7155.847.50000108.9
65S24.3Very low26.1Very low115 Ų115152 Ų15280%0.80480%0.801SS**  trans-114.8106.316761.80000110.1
66K22.9Very low25.8Very low205 Ų205154.4 Ų154.489%0.89181%0.805SS**  trans-85.1121.1158.6-82.2178172.31770108.3
67S24.9Very low25.8Very low103 Ų103157.1 Ų157.172%0.7281%0.814SS**  trans155.9132160.7520000107
68C25.3Very low25.8Very low125 Ų125152.6 Ų152.685%0.84580%0.804SS**  cis-157.2135.222.5-950000109.2
69L23.6Very low26Very low173 Ų173148.1 Ų148.191%0.90680%0.803SS**  trans-73.1122.5147.9-84.5155.5000107.7
70K28.6Very low26.2Very low202 Ų202143.4 Ų143.488%0.87880%0.796SS**  trans173.9120.8134.9-99170.8-179.6-179.20112.3
71A26.6Very low26.5Very low85 Ų85142.6 Ų142.670%0.70280%0.797SS**  trans57.1114.5133.500000121.2
72S25.7Very low26.8Very low105 Ų105146.8 Ų146.873%0.73480%0.801SS**  77.6125125.167.20000121.7
73R27.9Very low27Very low224 Ų224149.9 Ų149.985%0.84580%0.802SS**  trans80.6103.6137.8-81.6-178.9179.5168.1-0.1118.9
74N27.6Very low27.1Very low135 Ų135144.5 Ų144.572%0.72280%0.796SS**  81.7131.5114.4-83.16.8000121.2
75L30.1Very low27.5Very low135 Ų135146.9 Ų146.971%0.70780%0.795SS**  trans87.3105.8143.2-92.2111.8000118.6
76N28.5Very low27.5Very low117 Ų117146.2 Ų146.263%0.62679%0.79SS**  86.5133.8124.9-78.520.3000121.2
77E31.3Very low28Very low182 Ų182144.2 Ų144.285%0.8579%0.789SS**  trans72128.7151.2-66.7157.6-148.100115.7
78G28.4Very low28Very low63 Ų63142.8 Ų142.865%0.64979%0.791SS**  cis170.7168.3600000108.6
79T32.5Very low28.3Very low135 Ų135145.1 Ų145.183%0.82879%0.793SS**  trans70.9103.5158.3560000120.9
80D27.2Very low28.4Very low152 Ų152148.4 Ų148.481%0.81379%0.793SS**  41.5119.8118.2-61.7-27.8000121
81S31.9Very low28.4Very low121 Ų121143.5 Ų143.585%0.84679%0.791SS**  -178.5128.4108.743.20000112.8
82L25.7Very low28.5Very low162 Ų162145.5 Ų145.585%0.84879%0.794SS**  trans-59.2136.7163.5-84.8110.6000111.6
83R28.9Very low28.5Very low227 Ų227146.1 Ų146.186%0.85780%0.798SS**  trans-143.3111.4144.5-91-169.2-176.9-172.70.5111.2
84T25.7Very low28.6Very low127 Ų127143.1 Ų143.178%0.77980%0.798SS**  trans-59.4137.9158.620.60000110.8
85F29.7Very low28.4Very low192 Ų192140.5 Ų140.584%0.84280%0.803SS**  trans-128.1104.9161.1-102.6-85.8000108.2
86S25.6Very low28.3Very low100 Ų100141.8 Ų141.870%0.69981%0.809SS**  trans-107.7122.8160.850.40000106.5
87D31.7Very low28.1Very low163 Ų163144.8 Ų144.887%0.87282%0.819SS**  trans-167.1117.7152.5-95.4-25.4000112.5
88G26.3Very low27.9Very low74 Ų74142.2 Ų142.276%0.76382%0.818SS**  67.1101126.900000120.9
89I30.6Very low27.8Very low174 Ų174149.9 Ų149.989%0.89283%0.829SS**  trans-135.3115.5143.9-60.2-176.6000110
90R25.1Very low27.4Very low241 Ų241152.3 Ų152.391%0.90983%0.831SS**PPolyproline II helixtrans-57134168.1-87.5175.6169.9-168.7-3111.4
91A29.7Very low27.4Very low100 Ų100149.5 Ų149.583%0.82683%0.829SS**PPolyproline II helixtrans-101124.5160.100000109.8
92V29.5Very low27.1Very low126 Ų126152.4 Ų152.476%0.76483%0.829SS**PPolyproline II helixtrans-84.3129.2176.9171.40000109
93S24.9Very low27.1Very low118 Ų118149.5 Ų149.583%0.82583%0.829SS**PPolyproline II helixtrans-69.6121.7175.8-47.90000111.1
94L30Very low27.2Very low162 Ų162143.9 Ų143.985%0.84882%0.82SS**  trans-110.6109.8164.9-79.7167.2000108.1
95G22.6Very low27.3Very low80 Ų80145.9 Ų145.983%0.82583%0.826SS**  trans-71135.3175.800000111.8
96I29.2Very low27.4Very low161 Ų161141.5 Ų141.583%0.82681%0.806SS**  trans-140.6115.9165.3-58-179.8000106.2
97E23.8Very low27.6Very low181 Ų181140.3 Ų140.385%0.84681%0.81SS**PPolyproline II helixtrans-64.7144.3175.3-70.4-176.4151.700111.8
98P28.1Very low27.6Very low127 Ų127135 Ų13583%0.82579%0.786SS**PPolyproline II helixtrans-81.6125.2168.531.2-28.1000110.7
99Y25.1Very low28Very low225 Ų225135 Ų13588%0.88277%0.774SS**PPolyproline II helixtrans-73.9119.1174-152.9-96.3000110
100E23.9Very low27.8Very low186 Ų186130.5 Ų130.587%0.86976%0.758SS**PPolyproline II helixtrans-74.3121.8166.3-72.8-175157.400109.1
101A27.9Very low28Very low92 Ų92123.4 Ų123.476%0.7674%0.735SS**  trans-107.6112.2171.900000109.2
102E25.8Very low27.9Very low183 Ų183124 Ų12486%0.85572%0.719SS**  trans-54.4132.8179.3-65.1174.2151.800112.4T104E102-T104 PolarHBondContact O-N 3.17Å; E102-T104 VanDerWaalsContact O-N 3.16Å
103A26Very low28Very low101 Ų101124 Ų12484%0.83571%0.713SS**  trans-69.6107.3172.700000109.7N105A103-N105 PolarHBondContact O-N 3.07Å
104T30.5Very low28.1Very low109 Ų109122.7 Ų122.767%0.66970%0.704SS**  trans-75.5120.8173.527.70000110.1E102 F106E102-T104 PolarHBondContact O-N 3.17Å; E102-T104 VanDerWaalsContact O-N 3.16Å; T104-F106 WeakPolarHBondContact O-CD2 3.46Å; T104-F106 PolarHBondContact O-N 3.38Å
105N28.3Very low28.1Very low169 Ų169121.5 Ų121.590%0.90469%0.692SS**  trans-63115.6174.4-80.7-31.6000110.8A103A103-N105 PolarHBondContact O-N 3.07Å
106F31Very low28.3Very low99 Ų99122.8 Ų122.843%0.43468%0.679SS.*  trans-92.8121.8170-70.9-82.5000110.1T104 S108 F112 K115T104-F106 WeakPolarHBondContact O-CD2 3.46Å; T104-F106 PolarHBondContact O-N 3.38Å; F106-S108 PolarHBondContact O-N 2.98Å; F106-F112 HydrophobicContact CD2-CD2 4.25Å; F106-F112 HydrophobicContact CG-CD2 4.5Å; F106-K115 HydrophobicContact CE1-CD 4.21Å
107G29.6Very low28.2Very low76 Ų76123.7 Ų123.778%0.78468%0.68SS**SBendtrans-81.6-3.4-171.200000116.1
108S32.5Very low28.3Very low52 Ų52121.4 Ų121.436%0.36467%0.673SS.*  trans-163.6153.9173.365.40000112.8F106 S110 E111F106-S108 PolarHBondContact O-N 2.98Å; S108-S110 VanDerWaalsContact C-N 3.31Å; S108-S110 PolarHBondContact O-N 3.4Å; S108-S110 PolarHBondContact OG-OG 3.24Å; S108-E111 PolarHBondContact O-N 3.14Å
109S33Very low28.2Very low72 Ų72121.5 Ų121.550%0.50367%0.674SS.*Hα-helixtrans-67.9-23.7-177.150.70000114.4I113S109-I113 WeakPolarHBondContact O-CD1 3.18Å; S109-I113 WeakPolarHBondContact O-CG1 3.44Å; S109-I113 PolarHBondContact O-N 3.35Å
110S28.4Very low28.3Very low81 Ų81116.2 Ų116.257%0.56667%0.665SS**Hα-helixtrans-73.5-33.917551.40000112.4S108 S114S108-S110 VanDerWaalsContact C-N 3.31Å; S108-S110 PolarHBondContact O-N 3.4Å; S108-S110 PolarHBondContact OG-OG 3.24Å; S110-S114 PolarHBondContact O-N 3.27Å; S110-S114 PolarHBondContact O-OG 2.74Å
111E29.1Very low28.4Very low91 Ų91111.5 Ų111.543%0.42566%0.657SS.*Hα-helixtrans-67.9-37175.1-80.6-172.1134.300112.3S108 S114S108-E111 PolarHBondContact O-N 3.14Å; E111-S114 PolarHBondContact O-OG 3.24Å
112F27.7Very low28.3Very low114 Ų114117 Ų11750%0.566%0.664SS.*Hα-helixtrans-66.6-44.9177.9-174.6-101.8000112F106 S114 K115 I116F106-F112 HydrophobicContact CD2-CD2 4.25Å; F106-F112 HydrophobicContact CG-CD2 4.5Å; F112-S114 VanDerWaalsContact C-N 3.34Å; F112-S114 PolarHBondContact O-N 3.46Å; F112-K115 PolarHBondContact O-N 3.35Å; F112-I116 HydrophobicContact CD1-CD1 4.33Å; F112-I116 HydrophobicContact CE1-CD1 3.99Å; F112-I116 WeakPolarHBondContact O-CG1 3.19Å
113I30.6Very low28.4Very low124 Ų124118 Ų11864%0.63666%0.66SS**Hα-helixtrans-68.1-33.7-178.3-65168.7000111.6S109 K115S109-I113 WeakPolarHBondContact O-CD1 3.18Å; S109-I113 WeakPolarHBondContact O-CG1 3.44Å; S109-I113 PolarHBondContact O-N 3.35Å; I113-K115 VanDerWaalsContact C-N 3.29Å; I113-K115 PolarHBondContact O-N 3Å
114S27.5Very low28.4Very low91 Ų91118.7 Ų118.764%0.63666%0.656SS**Hα-helixtrans-73-14.3179.367.90000115.2S110 E111 F112S110-S114 PolarHBondContact O-N 3.27Å; S110-S114 PolarHBondContact O-OG 2.74Å; E111-S114 PolarHBondContact O-OG 3.24Å; F112-S114 VanDerWaalsContact C-N 3.34Å; F112-S114 PolarHBondContact O-N 3.46Å
115K29.2Very low28.2Very low137 Ų137120.2 Ų120.260%0.59667%0.665SS**THydrogen-bonded Turntrans-112.15.5-174.9-76.8-177.6178.1173.80114.8F106 F112 I113 E117F106-K115 HydrophobicContact CE1-CD 4.21Å; F112-K115 PolarHBondContact O-N 3.35Å; I113-K115 VanDerWaalsContact C-N 3.29Å; I113-K115 PolarHBondContact O-N 3Å; K115-E117 PolarHBondContact O-N 2.75Å
116I27.2Very low28.1Very low107 Ų107116.8 Ų116.855%0.54965%0.654SS.*  trans-74.874.8169.1-55.2175.7000108F112 L118F112-I116 HydrophobicContact CD1-CD1 4.33Å; F112-I116 HydrophobicContact CE1-CD1 3.99Å; F112-I116 WeakPolarHBondContact O-CG1 3.19Å; I116-L118 PolarHBondContact O-N 3.37Å; I116-L118 VanDerWaalsContact O-N 3.16Å
117E25.9Very low28.1Very low181 Ų181121 Ų12185%0.84667%0.672SS**  trans-70.4104.5163.3-74-167.5161.100107.7K115K115-E117 PolarHBondContact O-N 2.75Å
118L27.7Very low28.1Very low133 Ų133128.2 Ų128.270%0.69668%0.676SS**  trans-52.9140.3162.9-71.5163.5000108.3I116 V120I116-L118 PolarHBondContact O-N 3.37Å; I116-L118 VanDerWaalsContact O-N 3.16Å; L118-V120 HydrophobicContact CB-CG2 4.4Å; L118-V120 PolarHBondContact O-N 3.26Å
119P26.2Very low27.7Very low129 Ų129131.6 Ų131.684%0.83870%0.699SS**  trans-68.378.7168.528.2-31.5000108.9A121P119-A121 PolarHBondContact O-N 3.36Å; P119-A121 VanDerWaalsContact O-N 3.14Å
120V26.3Very low27.3Very low114 Ų114134 Ų13469%0.69172%0.716SS**  trans-69.8105.7162.8-178.20000104.8L118 K122L118-V120 HydrophobicContact CB-CG2 4.4Å; L118-V120 PolarHBondContact O-N 3.26Å; V120-K122 VanDerWaalsContact C-N 3.29Å; V120-K122 PolarHBondContact O-N 2.93Å
121A26.3Very low27.3Very low87 Ų87134 Ų13472%0.71972%0.721SS**  trans-57.796.2171.400000108.8P119 R123P119-A121 PolarHBondContact O-N 3.36Å; P119-A121 VanDerWaalsContact O-N 3.14Å; A121-R123 VanDerWaalsContact C-N 3.26Å; A121-R123 PolarHBondContact O-N 2.92Å
122K25.7Very low27.1Very low207 Ų207137.1 Ų137.190%0.974%0.74SS**  trans-62.587.6168.1-72.1-179.8-179.8173.30108V120V120-K122 VanDerWaalsContact C-N 3.29Å; V120-K122 PolarHBondContact O-N 2.93Å
123R27.5Very low26.9Very low203 Ų203136.9 Ų136.977%0.76675%0.748SS**  trans-114.3136.5162.1-77.5-168.4177-174.51.2109A121 V125A121-R123 VanDerWaalsContact C-N 3.26Å; A121-R123 PolarHBondContact O-N 2.92Å; R123-V125 PolarHBondContact O-N 2.89Å
124P26.9Very low26.7Very low116 Ų116138.5 Ų138.575%0.75375%0.751SS**  trans-64.8121.3-171.124.4-32000111.4S126P124-S126 PolarHBondContact O-N 3.17Å
125V25.9Very low26.5Very low142 Ų142140.2 Ų140.286%0.86176%0.758SS**  trans-74.566.5177.9-174.20000110R123R123-V125 PolarHBondContact O-N 2.89Å
126S26.8Very low26.5Very low97 Ų97140.1 Ų140.168%0.67876%0.76SS**SBendtrans-128.96.9179.657.50000115.3P124P124-S126 PolarHBondContact O-N 3.17Å
127K30.6Very low26.6Very low186 Ų186142.2 Ų142.281%0.80977%0.77SS**SBendtrans-132.213.2179.3-79.5-170.9174.7-178.30115.9
128W29Very low26.7Very low229 Ų229138.4 Ų138.487%0.86776%0.756SS**  trans-124.765.1-178-70.364.9000109.9
129S23.6Very low26.9Very low122 Ų122138.4 Ų138.485%0.85376%0.756SS**  trans-107.331.8-178.452.20000113.3
130S26.1Very low26.9Very low122 Ų122137.8 Ų137.885%0.85374%0.742SS**SBendtrans-147.219.7176.666.90000115.7
131A27.3Very low27Very low81 Ų81138.8 Ų138.867%0.66974%0.742SS**SBendtrans-116.2110.1166.900000108.2T133A131-T133 PolarHBondContact O-N 3.33Å
132L26.1Very low26.9Very low157 Ų157140.6 Ų140.682%0.82275%0.747SS**  trans-47.9124.4172.8-85.3127.7000111.2
133T23Very low27.1Very low110 Ų110136.4 Ų136.468%0.67574%0.738SS**  trans35.598143.845.40000117.6A131A131-T133 PolarHBondContact O-N 3.33Å
134F25.3Very low26.8Very low157 Ų157138.6 Ų138.669%0.68975%0.747SS**  trans-13384.4145.2-90.2-82.4000107.9L228F134-L228 HydrophobicContact CE1-CD1 4.05Å; F134-L228 HydrophobicContact CE2-CD1 4.37Å; F134-L228 HydrophobicContact CZ-CD1 3.56Å
135T25Very low26.9Very low128 Ų128138.2 Ų138.279%0.78575%0.746SS**  trans-125.574.1162.645.50000106.8
136E29Very low26.8Very low135 Ų135143.6 Ų143.663%0.63175%0.751SS**  trans-129.592.5158.1-82.2-175.8179.600106.8
137I28.5Very low26.8Very low150 Ų150142.6 Ų142.677%0.76976%0.756SS**  trans-81.799.3155-64.9171.3000102.9D139I137-D139 PolarHBondContact O-N 2.88Å
138D28.2Very low26.4Very low102 Ų102139.2 Ų139.255%0.54576%0.756SS.*  trans-67.184.5170.1-91.8-27.3000109.3
139D31.5Very low26.2Very low133 Ų133137.9 Ų137.971%0.71176%0.757SS**  trans-99.796149.8-76.5-35.2000106.4I137 I141I137-D139 PolarHBondContact O-N 2.88Å; D139-I141 VanDerWaalsContact C-N 3.33Å; D139-I141 PolarHBondContact O-N 3.07Å
140E27.3Very low26.2Very low116 Ų116141.9 Ų141.954%0.54276%0.759SS.*  trans-57.390.8172.3-74.4-179149.600110.3R362E140-R362 IonicContact OE2-CZ 3.81Å; E140-R362 IonicContact OE2-NH1 3.93Å; E140-R362 IonicContact OE2-NH2 2.77Å; E140-R362 PolarHBondContact OE2-NH2 3.22Å
141I27.1Very low26.1Very low135 Ų135141.3 Ų141.369%0.69275%0.752SS**  trans-120.2112.9157.1-57.6179.2000107.1D139 V143D139-I141 VanDerWaalsContact C-N 3.33Å; D139-I141 PolarHBondContact O-N 3.07Å; I141-V143 HydrophobicContact CG2-CG2 4.27Å; I141-V143 PolarHBondContact O-N 3.03Å; I141-V143 VanDerWaalsContact O-N 3.11Å
142P24.8Very low26.1Very low125 Ų125146 Ų14681%0.81277%0.765SS**  trans-79.2101.5-177.830.5-30.7000109.8
143V29.1Very low25.9Very low119 Ų119146.9 Ų146.972%0.72177%0.767SS**  trans-10293.3166-174.80000109.2I141 S145I141-V143 HydrophobicContact CG2-CG2 4.27Å; I141-V143 PolarHBondContact O-N 3.03Å; I141-V143 VanDerWaalsContact O-N 3.11Å; V143-S145 PolarHBondContact O-N 3.46Å
144R23Very low26.2Very low249 Ų249151.7 Ų151.794%0.9478%0.778SS**  trans-63.9113.8159.1-82.9-178.8167.5178.9-2108.8
145S27.8Very low26.2Very low107 Ų107147.7 Ų147.775%0.74878%0.781SS**  trans-153.9133.7145.565.90000112V143V143-S145 PolarHBondContact O-N 3.46Å
146R24.5Very low26.6Very low256 Ų256147.3 Ų147.397%0.96678%0.781SS**  trans-65.8145.3178.7-68.8168.6167.8-167.5-3.8111
147G26Very low26.4Very low76 Ų76146.1 Ų146.178%0.78479%0.786SS**  trans168.194.4162.900000113.9
148S22.4Very low26.6Very low114 Ų114146.7 Ų146.780%0.79779%0.791SS**  trans-66.5131.9168.450.80000111.9
149F25.4Very low26.5Very low202 Ų202150.5 Ų150.589%0.88681%0.805SS**  trans-144.9121.8157.6-107.7-87.6000110.9
150K22.2Very low26.6Very low206 Ų206150.5 Ų150.590%0.89681%0.81SS**  trans-116.1137.9156.7-85.6-175.3176.9178.30107.2
151P25.4Very low26.8Very low109 Ų109151.4 Ų151.471%0.70882%0.818SS**  trans-138.3128135.525.3-6.5000111.5
152L25.9Very low27Very low179 Ų179150.2 Ų150.294%0.93782%0.822SS**  75122.277.4-107.1142.6000115.8
153M22.6Very low27.5Very low177 Ų177149.3 Ų149.387%0.87283%0.825SS**  trans-51.1158.6-173.9-72-162.8152.500120.6
154K30.3Very low27.6Very low211 Ų211154 Ų15492%0.91784%0.836SS**  177.3143.7118-97.4171.9177.2-179.60113.5
155G24Very low28.1Very low72 Ų72145.4 Ų145.474%0.74283%0.825SS**  trans-81.5-139.8-179.800000115
156P33.3Very low28.2Very low121 Ų121147.1 Ų147.179%0.78683%0.832SS**  cis-142.6-161.5-9.232.8-6.5000115.6
157C26.2Very low28.5Very low109 Ų109143.6 Ų143.674%0.73683%0.826SS**  trans92.5133.9159.5-48.50000118.2
158N31.2Very low28.9Very low163 Ų163147.2 Ų147.287%0.87283%0.833SS**  cis-152.5158.146.2-78.7-39.4000114.8
159E26.6Very low29.3Very low181 Ų181150.6 Ų150.685%0.84683%0.833SS**  trans-75166.6-179.3-61.3165.9146.900115.3
160V33.8Very low29.7Very low133 Ų133148.3 Ų148.381%0.80683%0.825SS**  -177.2110.8120.8173.20000111.1
161D31.8Very low30.3Very low135 Ų135145.5 Ų145.572%0.72282%0.82SS**  trans39120.8138.5-69.3-47.8000124.6
162S31.8Very low30.6Very low111 Ų111143.4 Ų143.478%0.77682%0.819SS**  85.1138.991.4-65.10000113.1
163A34.4Very low30.9Very low106 Ų106146.2 Ų146.288%0.87682%0.818SS**  cis-160.6175.222.200000112.4
164K31.3Very low31.2Very low216 Ų216147.1 Ų147.194%0.93982%0.82SS**  trans-70.1161.7-174.4-63164.3170.8172.70116
165G32.3Very low31.2Very low70 Ų70143.2 Ų143.272%0.72282%0.815SS**  trans155.297.3147.900000119.3
166T31.6Very low31.4Very low143 Ų143149.4 Ų149.488%0.87782%0.824SS**  trans26.9140.4141.95.20000126
167Q29.3Very low31.3Very low181 Ų181151.7 Ų151.785%0.84682%0.824SS**  trans-30.8144.9169.3-62.4172.7-2.500120.6
168T35.5Very low31.3Very low152 Ų152154.8 Ų154.893%0.93383%0.832SS**  -166156.6129.517.40000112.8
169K30.8Very low31.3Very low186 Ų186152 Ų15281%0.80982%0.82SS**  trans-73.4170.8-174-73.8173.3165.8178.50115.1
170E33.7Very low31.3Very low153 Ų153153.2 Ų153.272%0.71582%0.823SS**  trans99.2117.6144.7-85.7166-152.900120.2
171N35.5Very low31.2Very low148 Ų148155.6 Ų155.679%0.79182%0.822SS**  trans67.3114.7135.8-59.8-16.7000120.9
172G30.6Very low30.8Very low65 Ų65157.8 Ų157.867%0.6783%0.828SS**  97.3129.2119.700000117.7
173Y31.5Very low30.4Very low238 Ų238158.5 Ų158.593%0.93383%0.832SS**  trans96.8124.6161.6-58.3-76.7000118.5
174E28.8Very low30Very low195 Ų195158.8 Ų158.891%0.91183%0.827SS**  trans-64.3140.5-180-64.3169.8145.800111.6
175T31.6Very low29.5Very low130 Ų130156.9 Ų156.980%0.79882%0.824SS**  trans-145.3109.4154.3-33.20000106.7E177T175-E177 PolarHBondContact O-N 3.11Å
176E28.1Very low29.2Very low201 Ų201158.4 Ų158.494%0.93982%0.821SS**  trans-64.8111166.9-79.1-172.5145.700108.2
177E30.6Very low28.7Very low170 Ų170156.6 Ų156.679%0.79482%0.821SS**  trans-130.8123.3166.7-138.4179.6-167.300110.4T175 T179T175-E177 PolarHBondContact O-N 3.11Å; E177-T179 PolarHBondContact O-N 3.37Å; E177-T179 VanDerWaalsContact O-N 3.1Å
178I26.8Very low28.4Very low173 Ų173158.3 Ų158.389%0.88782%0.821SS**  trans-70.399.9-176.4-63.4164.9000108.4
179T31.4Very low27.7Very low104 Ų104156.7 Ų156.764%0.63882%0.816SS**  trans-106.8119.1168.955.20000111.8E177 K181E177-T179 PolarHBondContact O-N 3.37Å; E177-T179 VanDerWaalsContact O-N 3.1Å; T179-K181 PolarHBondContact O-N 2.84Å
180K27.2Very low27.4Very low208 Ų208152.4 Ų152.490%0.90482%0.815SS**  trans-52.4105.9165.3-72.8171.4175.7172.20109.7H182K180-H182 PolarHBondContact O-N 2.9Å
181K29.8Very low27.1Very low182 Ų182152.5 Ų152.579%0.79182%0.82SS**  trans-89.8101.3168.5-80-173.3177.1177.80110T179 C183T179-K181 PolarHBondContact O-N 2.84Å; K181-C183 PolarHBondContact O-N 2.95Å
182H25.1Very low26.4Very low181 Ų181151 Ų15184%0.83882%0.821SS**  trans-53.8117.2151.9-91.1-73.4000108.5K180 S184K180-H182 PolarHBondContact O-N 2.9Å; H182-S184 PolarHBondContact O-N 2.99Å
183C23.3Very low26.2Very low126 Ų126152.8 Ų152.885%0.85182%0.82SS**  trans-82.399.8167.8-74.50000108.9K181 M185K181-C183 PolarHBondContact O-N 2.95Å; C183-M185 PolarHBondContact O-N 3.46Å
184S25.2Very low26Very low112 Ų112148.3 Ų148.378%0.78381%0.813SS**PPolyproline II helixtrans-65121.3164.2-39.90000109H182H182-S184 PolarHBondContact O-N 2.99Å
185M21.8Very low26Very low177 Ų177147.1 Ų147.187%0.87281%0.805SS**PPolyproline II helixtrans-70.7135.7175-163159.964.300109.7C183 A187C183-M185 PolarHBondContact O-N 3.46Å; M185-A187 PolarHBondContact O-N 3.29Å
186P24.7Very low25.9Very low102 Ų102147.2 Ų147.266%0.66280%0.8SS**PPolyproline II helixtrans-72.5127.8179.310.4-1.6000110.9Y188P186-Y188 HydrophobicContact CB-CD2 4.47Å; P186-Y188 HydrophobicContact CB-CE2 4.48Å
187A21.2Very low26.2Very low105 Ų105142 Ų14287%0.86879%0.786SS**PPolyproline II helixtrans-74.8123.3167.100000109.8M185M185-A187 PolarHBondContact O-N 3.29Å
188Y22.8Very low26.2Very low216 Ų216139.2 Ų139.285%0.84778%0.776SS**  trans-116.3115.1168.1-94.9-89.9000109.1P186P186-Y188 HydrophobicContact CB-CD2 4.47Å; P186-Y188 HydrophobicContact CB-CE2 4.48Å
189S21Very low26.4Very low118 Ų118134.8 Ų134.883%0.82576%0.757SS**  trans-91.2126.416269.60000108.8
190A24.8Very low26.3Very low97 Ų97135.8 Ų135.880%0.80276%0.759SS**  trans-137.1117.3168.800000109.6
191N26.9Very low26.6Very low154 Ų154132.7 Ų132.782%0.82475%0.747SS**  trans-31138.6179-64.2-30.4000116.5P193N191-P193 WeakPolarHBondContact O-CD 3.23Å
192C21.7Very low26.6Very low118 Ų118129.8 Ų129.880%0.79774%0.74SS**  trans-71.3128.1168.2-120.20000111.2
193P26.2Very low26.8Very low102 Ų102129.8 Ų129.866%0.66273%0.734SS**  trans-114.1131.215410.910.9000110.7N191N191-P193 WeakPolarHBondContact O-CD 3.23Å
194N26.6Very low27.1Very low144 Ų144128.1 Ų128.177%0.7772%0.723SS**  trans-9.1114.9170.9-98.4-23000117.6N196N194-N196 VanDerWaalsContact C-N 3.27Å; N194-N196 PolarHBondContact O-N 3.21Å
195F28.4Very low27.1Very low169 Ų169125.3 Ų125.374%0.74171%0.711SS**G310 helixtrans-75.1-4.8176-88.6-92.2000114.9S197 T199F195-S197 PolarHBondContact O-N 3.12Å; F195-T199 PolarHBondContact O-OG1 3.09Å
196N30.7Very low27.3Very low133 Ų133125.1 Ų125.171%0.71171%0.705SS**G310 helixtrans-87.11.1-166.7-68.4-2.2000115.9N194N194-N196 VanDerWaalsContact C-N 3.27Å; N194-N196 PolarHBondContact O-N 3.21Å
197S34.1Very low27.5Very low90 Ų90125.9 Ų125.963%0.62971%0.713SS**G310 helixtrans-119.24.5-179.689.40000115.3F195F195-S197 PolarHBondContact O-N 3.12Å
198L29.8Very low27.6Very low113 Ų113127 Ų12759%0.59270%0.703SS**THydrogen-bonded Turntrans-108.7-18.1-177.7-116.4139.7000112.7L202L198-L202 HydrophobicContact CD2-CD1 4.14Å
199T30.7Very low28Very low79 Ų79121 Ų12149%0.48569%0.69SS.*Hα-helixtrans-69.7-33.3175.74.60000112.1F195 Y203F195-T199 PolarHBondContact O-OG1 3.09Å; T199-Y203 WeakPolarHBondContact O-CD2 3.41Å; T199-Y203 PolarHBondContact O-N 3.11Å
200D30.8Very low28.2Very low126 Ų126122.3 Ų122.367%0.67469%0.688SS**Hα-helixtrans-77.1-28.4-179.7-71.5-19.2000113.7
201E32.8Very low28.2Very low142 Ų142127.9 Ų127.966%0.66469%0.689SS**Hα-helixtrans-84.2-26-179.7-74.6-169.5155.300113.4
202L30.1Very low28.2Very low122 Ų122128.4 Ų128.464%0.63969%0.691SS**Hα-helixtrans-82.1-21.3174.5-74.6164.1000112.7L198 C204L198-L202 HydrophobicContact CD2-CD1 4.14Å; L202-C204 PolarHBondContact O-N 2.78Å
203Y29.3Very low28.3Very low180 Ų180125.5 Ų125.571%0.70668%0.681SS**THydrogen-bonded Turntrans-68.2-13.8177.9-116.6-94.3000114.4T199T199-Y203 WeakPolarHBondContact O-CD2 3.41Å; T199-Y203 PolarHBondContact O-N 3.11Å
204C29Very low28.3Very low92 Ų92126 Ų12662%0.62269%0.694SS**THydrogen-bonded Turntrans-106.28.7-173.7-86.90000116.1L202 K206L202-C204 PolarHBondContact O-N 2.78Å; C204-K206 PolarHBondContact O-N 3.48Å
205G25.8Very low28.5Very low52 Ų52125 Ų12554%0.53669%0.693SS.*THydrogen-bonded Turntrans57.324.4172.400000115.2
206K25.3Very low28.4Very low173 Ų173120.5 Ų120.575%0.75269%0.694SS**PPolyproline II helixtrans-85.5131.5176.2-72.3-178.4179.4174.30110C204 I208C204-K206 PolarHBondContact O-N 3.48Å; K206-I208 PolarHBondContact O-N 2.95Å
207S29.2Very low28.2Very low119 Ų119123.1 Ų123.183%0.83270%0.699SS**PPolyproline II helixtrans-66.4127.1171.539.80000110.7
208I24.3Very low27.9Very low129 Ų129125.8 Ų125.866%0.66270%0.702SS**PPolyproline II helixtrans-91.8118172.8-59.8171.4000108K206 L210K206-I208 PolarHBondContact O-N 2.95Å; I208-L210 PolarHBondContact O-N 3.48Å
209P30.1Very low27.7Very low88 Ų88127 Ų12757%0.57171%0.714SS**PPolyproline II helixtrans-71.6124.7176.126.2-30.4000111.1Y211P209-Y211 HydrophobicContact CB-CD2 4.49Å; P209-Y211 HydrophobicContact CB-CE2 4Å; P209-Y211 HydrophobicContact CG-CE2 3.99Å
210L25.4Very low27.5Very low147 Ų147129.8 Ų129.877%0.7772%0.724SS**  trans-85.3114.7169-78.4166.4000109.6I208I208-L210 PolarHBondContact O-N 3.48Å
211Y25.2Very low27.3Very low213 Ų213127.8 Ų127.884%0.83572%0.72SS**  trans-93.1119.7170.4-70.9-90.1000110.1P209P209-Y211 HydrophobicContact CB-CD2 4.49Å; P209-Y211 HydrophobicContact CB-CE2 4Å; P209-Y211 HydrophobicContact CG-CE2 3.99Å
212L26.6Very low27.1Very low166 Ų166129.5 Ų129.587%0.86973%0.725SS**  trans-90.9112.8169.6-92.7153.5000109.4
213G24.8Very low26.8Very low56 Ų56134 Ų13458%0.57773%0.734SS**  trans-68.9150173.300000112.6T215G213-T215 PolarHBondContact O-N 2.68Å
214A26.5Very low26.7Very low114 Ų114129.5 Ų129.594%0.94273%0.734SS**THydrogen-bonded Turntrans-63.85.7-170.600000116.9
215T30.1Very low26.6Very low123 Ų123130.3 Ų130.376%0.75574%0.74SS**THydrogen-bonded Turntrans-112.47.3-173.954.10000115.1G213 K217G213-T215 PolarHBondContact O-N 2.68Å; T215-K217 PolarHBondContact O-N 3.1Å
216G25.9Very low26.7Very low73 Ų73135 Ų13575%0.75375%0.752SS**  trans61.613.6166.900000116
217K26.7Very low26.9Very low188 Ų188134 Ų13482%0.81776%0.755SS**  trans-98.7116.4172.9-77.8-171.9175.1-178.90110T215 V219T215-K217 PolarHBondContact O-N 3.1Å; K217-V219 PolarHBondContact O-N 3.34Å
218E27.5Very low26.8Very low146 Ų146133.4 Ų133.468%0.68274%0.742SS**  trans-50.9127.1179-70.5176.8136.300112.4I220E218-I220 HydrophobicContact CB-CG1 4.45Å
219V24.7Very low27Very low139 Ų139130.8 Ų130.884%0.84275%0.747SS**  trans-105.1102.5153179.80000105.9K217 S221K217-V219 PolarHBondContact O-N 3.34Å; V219-S221 PolarHBondContact O-N 3.48Å
220I26.6Very low27Very low137 Ų137133 Ų13370%0.70375%0.75SS**  trans-67.496.2175.5-58.3170.2000107.6E218 K222E218-I220 HydrophobicContact CB-CG1 4.45Å; I220-K222 PolarHBondContact O-N 3.31Å
221S27.8Very low27.1Very low84 Ų84133 Ų13359%0.58774%0.744SS**  trans-78.9113.9161.467.80000108.4V219V219-S221 PolarHBondContact O-N 3.48Å
222K27.8Very low27.3Very low179 Ų179127.3 Ų127.378%0.77874%0.736SS**  trans-44.7135.3-175.3-70.3168.6172.2176.50114.2I220I220-K222 PolarHBondContact O-N 3.31Å
223R25.3Very low27.2Very low216 Ų216127.9 Ų127.982%0.81573%0.734SS**  trans-69.1120.1159.2-87.5178.7172.3169.7-1.6109.3H462R223-H462 PolarHBondContact NH2-O 3.37Å
224A25.8Very low27.3Very low86 Ų86133.1 Ų133.171%0.71175%0.747SS**  trans-149.7132.6167.100000104
225S27.6Very low27.5Very low108 Ų108136.9 Ų136.976%0.75575%0.746SS**  cis-157.1157.78.6-63.80000107.7D227S225-D227 PolarHBondContact O-N 2.63Å
226L26.9Very low27.4Very low151 Ų151141.1 Ų141.179%0.79175%0.754SS**  trans-58.3130.2151.6-10889.9000107.3L228L226-L228 PolarHBondContact O-N 2.99Å
227D29.7Very low27.5Very low152 Ų152145 Ų14581%0.81375%0.753SS**  trans-70.792.9175.3-141-0.8000108.6S225S225-D227 PolarHBondContact O-N 2.63Å
228L28.3Very low27.4Very low106 Ų106144.5 Ų144.556%0.55575%0.75SS**  trans-104.690.7162.4-73.6168.7000105.1F134 L226 E230F134-L228 HydrophobicContact CE1-CD1 4.05Å; F134-L228 HydrophobicContact CE2-CD1 4.37Å; F134-L228 HydrophobicContact CZ-CD1 3.56Å; L226-L228 PolarHBondContact O-N 2.99Å; L228-E230 PolarHBondContact O-N 3.49Å
229G28.2Very low27.3Very low75 Ų75142.4 Ų142.477%0.77375%0.752SS**  trans-69.696.717400000110
230E29.7Very low27.3Very low133 Ų133141.8 Ų141.862%0.62175%0.75SS**  trans-78.8148.3152.8-94.9170.3-158.300109.8L228L228-E230 PolarHBondContact O-N 3.49Å
231F27.2Very low27.4Very low148 Ų148141.2 Ų141.265%0.64975%0.753SS**  trans-49.5144178.1-82.8-113.7000114.1
232S29.4Very low27.4Very low94 Ų94146.6 Ų146.666%0.65777%0.766SS**  trans-116.6108.6145.844.30000109L234S232-L234 PolarHBondContact O-N 2.95Å
233E25.4Very low27.4Very low177 Ų177145.3 Ų145.383%0.82777%0.766SS**  trans-53.2115.1155.1-69.5-180136.600108
234L27.3Very low27.5Very low166 Ų166140.8 Ų140.887%0.86977%0.765SS**  trans17460.6153.1-94.1154.5000111.1S232S232-L234 PolarHBondContact O-N 2.95Å
235Q29.5Very low27.6Very low193 Ų193145.6 Ų145.690%0.90277%0.772SS**  trans-141.251.5147.1-75-152.68.400109.9
236F28.2Very low27.5Very low213 Ų213148.2 Ų148.293%0.93478%0.778SS**  trans-121.581.3162.2-80.2-78.4000108.6
237E27.8Very low27.5Very low155 Ų155146.1 Ų146.172%0.72477%0.773SS**  trans-129.8115.4155.1-117.4-159.5130.400108.9
238K25.7Very low27.5Very low177 Ų177144.9 Ų144.977%0.7777%0.771SS**  trans72.690.9157.3-61.5167.5-177147.90118
239S25.1Very low27.5Very low102 Ų102149.1 Ų149.171%0.71379%0.789SS**  -156.4113.6128.3-163.70000111.2V241S239-V241 PolarHBondContact O-N 2.97Å
240P25.4Very low27.5Very low125 Ų125149 Ų14981%0.81279%0.788SS**  trans-82.898.6173.531.9-27.7000109.1
241V28.3Very low27.3Very low126 Ų126149.2 Ų149.276%0.76480%0.798SS**  trans-86.1114.9166.9-178.80000108.3S239 I243S239-V241 PolarHBondContact O-N 2.97Å; V241-I243 PolarHBondContact O-N 3.26Å
242K26.3Very low27.5Very low197 Ų197149.9 Ų149.986%0.85781%0.807SS**PPolyproline II helixtrans-54.4116.9-179.9-71.2173.3175.6177.40111.3
243I27.6Very low27.4Very low152 Ų152156.7 Ų156.778%0.77982%0.819SS**PPolyproline II helixtrans-82.8126.6159.6-59.8173.3000106.9V241 Q245V241-I243 PolarHBondContact O-N 3.26Å; I243-Q245 PolarHBondContact O-N 3.18Å
244P27.8Very low27.6Very low120 Ų120157.3 Ų157.378%0.77982%0.822SS**PPolyproline II helixtrans-63.2123172.6-15.528.9000109.9
245Q29.1Very low27.8Very low187 Ų187157.6 Ų157.687%0.87482%0.818SS**PPolyproline II helixtrans-63129.5173.7-69.8171.1-29.900110.2I243 P247I243-Q245 PolarHBondContact O-N 3.18Å; Q245-P247 WeakPolarHBondContact O-CD 3.32Å
246N25Very low27.6Very low164 Ų164159.4 Ų159.488%0.87782%0.817SS**PPolyproline II helixtrans-66.8134160-96.8-27.1000109.8
247P27.2Very low27.9Very low106 Ų106156.4 Ų156.469%0.68881%0.81SS**  trans-115.9131.9142.939.3-28000105.6Q245Q245-P247 WeakPolarHBondContact O-CD 3.32Å
248T30.2Very low28Very low126 Ų126156.1 Ų156.177%0.77381%0.813SS**  179148.652.7-420000106
249Q27.4Very low28.1Very low196 Ų196158.1 Ų158.192%0.91682%0.822SS**  trans-48.1140.4166.5-66.1167.4-28.900112.5
250G27.3Very low28.3Very low73 Ų73158 Ų15875%0.75382%0.822SS**  trans-167.481.7173.400000110.6
251T26.1Very low28.5Very low137 Ų137157.6 Ų157.684%0.8482%0.822SS**  trans-38.9135.3164.841.20000113.7
252L31.1Very low28.5Very low162 Ų162154.6 Ų154.685%0.84882%0.816SS**  trans-174.891.6145.4-95.6163.5000106.9
253R28.3Very low28.8Very low237 Ų237155 Ų15589%0.89482%0.818SS**  69.3121.4104-101.6-171.8175.9-174.1-1.3114.7E255R253-E255 PolarHBondContact O-N 3.1Å
254E28.5Very low29Very low190 Ų190156.3 Ų156.389%0.88882%0.821SS**  trans-45.2124.8168.6-61.6165.8132.600112.2
255E31.3Very low29Very low171 Ų171155.8 Ų155.880%0.79982%0.82SS**  trans-127.7101.6149.7-96.5-173.7168.200108.8R253 L257R253-E255 PolarHBondContact O-N 3.1Å; E255-L257 PolarHBondContact O-N 3.44Å
256R26.9Very low29.2Very low232 Ų232155.3 Ų155.388%0.87582%0.822SS**  trans-58.3119.8154.6-71.9173167.5164.3-3.7107.4
257L33.3Very low29.5Very low150 Ų150151.7 Ų151.779%0.78582%0.815SS**  trans-123.8113162.5-75.5173.8000110.5E255E255-L257 PolarHBondContact O-N 3.44Å
258N29.7Very low29.7Very low148 Ų148152.1 Ų152.179%0.79182%0.821SS**  trans-61.3139.7179.9-67.9-41.5000112S260N258-S260 PolarHBondContact O-N 2.87Å
259F27.9Very low29.6Very low219 Ų219150.4 Ų150.496%0.96181%0.814SS**  trans-73.6117.1157.2-83.9-93000109.2
260S30.4Very low30Very low100 Ų100149.5 Ų149.570%0.69981%0.809SS**  trans-164106.9163.7174.60000110.9N258N258-S260 PolarHBondContact O-N 2.87Å
261S29.2Very low30.2Very low117 Ų117150 Ų15082%0.81881%0.806SS**  trans24.3126.3146.263.80000120.3
262G27.6Very low30.5Very low62 Ų62153 Ų15364%0.63981%0.811SS**  trans147.7131.2141.500000116.2
263F33.4Very low30.6Very low206 Ų206157.2 Ų157.290%0.90482%0.815SS**  trans9381.9154.4-62.3-80.9000119.2
264H30.5Very low30.8Very low180 Ų180149.4 Ų149.483%0.83381%0.809SS**  8.2134125-73.7-77.9000119.9
265S28.6Very low31Very low108 Ų108143.6 Ų143.676%0.75580%0.8SS**  trans80.697.4135.9-169.10000118.4
266L34.4Very low31.4Very low178 Ų178144 Ų14493%0.93280%0.799SS**  -150.599.7128.7-101.3152.8000108.1
267A30Very low32Very low88 Ų88137.8 Ų137.873%0.72778%0.783SS**  trans-76.5162.117100000111
268S31.6Very low32.9Very low115 Ų115134.7 Ų134.780%0.80477%0.773SS**  trans87.4117.6175.7-169.30000112.7
269S28.5Very low33.8Very low89 Ų89134 Ų13462%0.62277%0.767SS**  cis-174.2162.520.338.50000108.2
270H35.8Very low34.8Very low177 Ų177128.9 Ų128.982%0.81975%0.75SS**  trans88.788.8166.7-64-68.5000119.6
271A31.8Very low36Very low84 Ų84127.7 Ų127.769%0.69474%0.735SS**  63.888.9120.900000118.8R273A271-R273 PolarHBondContact O-N 3.5Å
272E31.8Very low37.6Very low201 Ų201127.4 Ų127.494%0.93973%0.725SS**  47.866.7124.7-61.8-175.9173.400117.7
273R33.1Very low39.4Very low249 Ų249127.3 Ų127.394%0.9472%0.718SS**  trans-93.978.3154.1-105-177.7-173.2-160.93.2109.5A271 G275A271-R273 PolarHBondContact O-N 3.5Å; R273-G275 PolarHBondContact O-N 3.39Å
274G32.3Very low41.1Very low74 Ų74121.7 Ų121.776%0.76370%0.7SS**  trans-76.660.2169.700000112.1F276G274-F276 PolarHBondContact O-N 2.78Å
275G32.7Very low42.8Very low68 Ų68121 Ų12170%0.70169%0.691SS**  trans-84.179.9176.300000111.2R273 N277R273-G275 PolarHBondContact O-N 3.39Å; G275-N277 PolarHBondContact O-N 3.16Å; G275-N277 VanDerWaalsContact O-N 3.12Å
276F40.3Very low44.7Very low179 Ų179117.5 Ų117.579%0.78567%0.669SS**  trans-62.7111.5163.9-84.8-86.8000108.3G274 P278G274-F276 PolarHBondContact O-N 2.78Å; F276-P278 WeakPolarHBondContact O-CD 3.45Å
277N39.7Very low46.5Very low101 Ų101115.8 Ų115.854%0.5465%0.65SS.*  trans-57.4116.5-179.5-96.6-28.6000110.5G275 I279 L280G275-N277 PolarHBondContact O-N 3.16Å; G275-N277 VanDerWaalsContact O-N 3.12Å; N277-I279 PolarHBondContact O-N 2.81Å; N277-I279 VanDerWaalsContact O-N 3.16Å; N277-L280 HydrophobicContact CB-CB 4.43Å; N277-L280 HydrophobicContact CB-CD1 4.08Å; N277-L280 HydrophobicContact CB-CG 4.43Å; N277-L280 PolarHBondContact O-N 3.3Å
278P51.9Low48.5Very low86 Ų86115.2 Ų115.256%0.55864%0.637SS**Hα-helixtrans-59.1-30.1-179.720.5-30.7000112.7F276 L280 N281 D282F276-P278 WeakPolarHBondContact O-CD 3.45Å; P278-L280 VanDerWaalsContact C-N 3.31Å; P278-L280 PolarHBondContact O-N 3.14Å; P278-N281 PolarHBondContact O-N 3.4Å; P278-D282 PolarHBondContact O-N 2.95Å
279I48.1Very low50.4Low133 Ų133112.4 Ų112.468%0.68261%0.611SS**Hα-helixtrans-62.4-35.7177.8-57.7172000112.3N277 A283N277-I279 PolarHBondContact O-N 2.81Å; N277-I279 VanDerWaalsContact O-N 3.16Å; I279-A283 PolarHBondContact O-N 3.5Å; I279-A283 VanDerWaalsContact O-N 3.17Å
280L50Low52.5Low112 Ų112114.1 Ų114.159%0.58661%0.611SS**Hα-helixtrans-72.8-36.9178.2-83.6165.4000111.3N277 P278 V284N277-L280 HydrophobicContact CB-CB 4.43Å; N277-L280 HydrophobicContact CB-CD1 4.08Å; N277-L280 HydrophobicContact CB-CG 4.43Å; N277-L280 PolarHBondContact O-N 3.3Å; P278-L280 VanDerWaalsContact C-N 3.31Å; P278-L280 PolarHBondContact O-N 3.14Å; L280-V284 VanDerWaalsContact O-CG2 3.26Å; L280-V284 WeakPolarHBondContact O-CG2 3.43Å; L280-V284 PolarHBondContact O-N 3.36Å; L280-V284 VanDerWaalsContact O-N 3.09Å
281N55.1Low54.3Low75 Ų75109.7 Ų109.740%0.40159%0.591SS.*Hα-helixtrans-64-45.6174.6-76.3-19.1000110.7P278 A283 V284 Y285P278-N281 PolarHBondContact O-N 3.4Å; N281-A283 VanDerWaalsContact C-N 3.35Å; N281-A283 PolarHBondContact O-N 3.17Å; N281-V284 PolarHBondContact O-N 3.15Å; N281-Y285 HydrophobicContact CB-CD2 4.42Å; N281-Y285 HydrophobicContact CB-CE2 4.42Å; N281-Y285 WeakPolarHBondContact O-CD2 3.43Å; N281-Y285 PolarHBondContact O-N 3.03Å
282D62.9Low56.4Low111 Ų111109.7 Ų109.759%0.59458%0.582SS**Hα-helixtrans-61.5-41.5179.8-68.5-16.2000112.4P278 Y285 A286P278-D282 PolarHBondContact O-N 2.95Å; D282-Y285 PolarHBondContact O-N 2.85Å; D282-A286 WeakPolarHBondContact O-CB 3.23Å; D282-A286 PolarHBondContact O-N 2.88Å
283A65.1Low58.4Low59 Ų59101.9 Ų101.949%0.48855%0.545SS..Hα-helixtrans-65.9-39.3176.600000112.6I279 N281 R287I279-A283 PolarHBondContact O-N 3.5Å; I279-A283 VanDerWaalsContact O-N 3.17Å; N281-A283 VanDerWaalsContact C-N 3.35Å; N281-A283 PolarHBondContact O-N 3.17Å; A283-R287 WeakPolarHBondContact O-CB 3.43Å; A283-R287 PolarHBondContact O-N 3.37Å
284V68.1Low60.4Low88 Ų8894.3 Ų94.353%0.53352%0.523SS..Hα-helixtrans-66.8-44.1175.5172.50000110.7L280 N281 R287 V288L280-V284 VanDerWaalsContact O-CG2 3.26Å; L280-V284 WeakPolarHBondContact O-CG2 3.43Å; L280-V284 PolarHBondContact O-N 3.36Å; L280-V284 VanDerWaalsContact O-N 3.09Å; N281-V284 PolarHBondContact O-N 3.15Å; V284-R287 PolarHBondContact O-N 3.15Å; V284-V288 HydrophobicContact CG1-CG2 4.44Å; V284-V288 WeakPolarHBondContact O-CG2 3.05Å; V284-V288 PolarHBondContact O-N 2.77Å
285Y67.3Low62.5Low167 Ų16797.3 Ų97.366%0.65552%0.518SS*.Hα-helixtrans-60.8-48.4175.8-84.2-69.3000112N281 D282 R287 V288 E289N281-Y285 HydrophobicContact CB-CD2 4.42Å; N281-Y285 HydrophobicContact CB-CE2 4.42Å; N281-Y285 WeakPolarHBondContact O-CD2 3.43Å; N281-Y285 PolarHBondContact O-N 3.03Å; D282-Y285 PolarHBondContact O-N 2.85Å; Y285-R287 VanDerWaalsContact C-N 3.26Å; Y285-R287 PolarHBondContact O-N 3.26Å; Y285-V288 PolarHBondContact O-N 2.86Å; Y285-E289 WeakPolarHBondContact O-CB 3.05Å; Y285-E289 PolarHBondContact O-N 3.16Å
286A68Low64.7Low34 Ų3498.3 Ų98.328%0.28150%0.501SS..Hα-helixtrans-59.4-38.8177.600000111.9D282 M290 I365D282-A286 WeakPolarHBondContact O-CB 3.23Å; D282-A286 PolarHBondContact O-N 2.88Å; A286-M290 WeakPolarHBondContact O-CB 3.44Å; A286-M290 PolarHBondContact O-N 3.44Å; A286-I365 HydrophobicContact CB-CD1 3.79Å
287R72.5Confident66.6Low142 Ų14290 Ų9054%0.53647%0.465SS..Hα-helixtrans-65.6-49.9175.9-178.5177.9173.1176.30112.2A283 V284 Y285 E289 M290 E291A283-R287 WeakPolarHBondContact O-CB 3.43Å; A283-R287 PolarHBondContact O-N 3.37Å; V284-R287 PolarHBondContact O-N 3.15Å; Y285-R287 VanDerWaalsContact C-N 3.26Å; Y285-R287 PolarHBondContact O-N 3.26Å; R287-E289 VanDerWaalsContact C-N 3.26Å; R287-E289 PolarHBondContact O-N 3.46Å; R287-M290 PolarHBondContact O-N 3.48Å; R287-E291 HydrophobicContact CG-CG 4.47Å; R287-E291 IonicContact CZ-OE1 3.61Å; R287-E291 IonicContact NE-OE1 2.89Å; R287-E291 PolarHBondContact NE-OE1 3.33Å; R287-E291 IonicContact NH2-OE1 3.42Å; R287-E291 PolarHBondContact NH2-OE1 3.49Å; R287-E291 WeakPolarHBondContact O-CB 3.25Å; R287-E291 WeakPolarHBondContact O-CG 3.37Å; R287-E291 PolarHBondContact O-N 3.24Å
288V72.3Confident68.5Low76 Ų7689.3 Ų89.346%0.46146%0.461SS..Hα-helixtrans-60.3-39.8178.3171.50000110.6V284 Y285 T292V284-V288 HydrophobicContact CG1-CG2 4.44Å; V284-V288 WeakPolarHBondContact O-CG2 3.05Å; V284-V288 PolarHBondContact O-N 2.77Å; Y285-V288 PolarHBondContact O-N 2.86Å; V288-T292 WeakPolarHBondContact O-CB 3.08Å; V288-T292 PolarHBondContact O-N 3.23Å; V288-T292 PolarHBondContact O-OG1 2.91Å
289E71Confident69.9Low56 Ų5688.1 Ų88.126%0.26246%0.455SS..Hα-helixtrans-65.5-43.8176.5-169.7-178.216000112.1Y285 R287 T292 K293 I365Y285-E289 WeakPolarHBondContact O-CB 3.05Å; Y285-E289 PolarHBondContact O-N 3.16Å; R287-E289 VanDerWaalsContact C-N 3.26Å; R287-E289 PolarHBondContact O-N 3.46Å; E289-T292 PolarHBondContact O-N 3.3Å; E289-K293 HydrophobicContact CG-CD 4.44Å; E289-K293 WeakPolarHBondContact O-CG 3.48Å; E289-K293 PolarHBondContact O-N 3.32Å; E289-K293 WeakPolarHBondContact OE1-CE 3.32Å; E289-K293 IonicContact OE1-NZ 3.24Å; E289-K293 PolarHBondContact OE1-NZ 3.45Å; E289-I365 VanDerWaalsContact CD-CG2 3.41Å; E289-I365 WeakPolarHBondContact OE1-CG2 3.25Å; E289-I365 WeakPolarHBondContact OE2-CG2 3.37Å
290M72.7Confident71.3Confident124 Ų12482 Ų8261%0.61142%0.424SS*.Hα-helixtrans-63.8-44.6176.5-169.4-174.6-172.800111.8A286 R287 T292 K293 L294 L361A286-M290 WeakPolarHBondContact O-CB 3.44Å; A286-M290 PolarHBondContact O-N 3.44Å; R287-M290 PolarHBondContact O-N 3.48Å; M290-T292 VanDerWaalsContact C-N 3.31Å; M290-T292 PolarHBondContact O-N 3.28Å; M290-K293 PolarHBondContact O-N 2.79Å; M290-L294 WeakPolarHBondContact O-CB 3.46Å; M290-L294 PolarHBondContact O-N 3.35Å; M290-L361 HydrophobicContact CG-CD2 4.47Å
291E74.3Confident72.7Confident84 Ų8480 Ų8039%0.39341%0.41SS..Hα-helixtrans-60-42.1175.3-74.4176.6-175.400110.9R287 L294 M295R287-E291 HydrophobicContact CG-CG 4.47Å; R287-E291 IonicContact CZ-OE1 3.61Å; R287-E291 IonicContact NE-OE1 2.89Å; R287-E291 PolarHBondContact NE-OE1 3.33Å; R287-E291 IonicContact NH2-OE1 3.42Å; R287-E291 PolarHBondContact NH2-OE1 3.49Å; R287-E291 WeakPolarHBondContact O-CB 3.25Å; R287-E291 WeakPolarHBondContact O-CG 3.37Å; R287-E291 PolarHBondContact O-N 3.24Å; E291-L294 PolarHBondContact O-N 3.3Å; E291-M295 WeakPolarHBondContact O-CG 3.5Å; E291-M295 PolarHBondContact O-N 2.7Å
292T74.5Confident73.9Confident84 Ų8481.4 Ų81.452%0.51541%0.414SS..Hα-helixtrans-63.9-44.5176.1-570000112V288 E289 M290 L294 M295 R296V288-T292 WeakPolarHBondContact O-CB 3.08Å; V288-T292 PolarHBondContact O-N 3.23Å; V288-T292 PolarHBondContact O-OG1 2.91Å; E289-T292 PolarHBondContact O-N 3.3Å; M290-T292 VanDerWaalsContact C-N 3.31Å; M290-T292 PolarHBondContact O-N 3.28Å; T292-L294 VanDerWaalsContact C-N 3.33Å; T292-L294 PolarHBondContact O-N 3.16Å; T292-M295 PolarHBondContact O-N 2.81Å; T292-R296 PolarHBondContact O-N 3.38Å
293K73.7Confident74.6Confident37 Ų3779.8 Ų79.816%0.16140%0.404CS..Hα-helixtrans-62.2-40175.5-74.4174.3-176.4167.80111.4E289 M290 R296 L297 L361E289-K293 HydrophobicContact CG-CD 4.44Å; E289-K293 WeakPolarHBondContact O-CG 3.48Å; E289-K293 PolarHBondContact O-N 3.32Å; E289-K293 WeakPolarHBondContact OE1-CE 3.32Å; E289-K293 IonicContact OE1-NZ 3.24Å; E289-K293 PolarHBondContact OE1-NZ 3.45Å; M290-K293 PolarHBondContact O-N 2.79Å; K293-R296 PolarHBondContact O-N 3.13Å; K293-L297 WeakPolarHBondContact O-CB 3.49Å; K293-L297 PolarHBondContact O-N 3.43Å; K293-L361 HydrophobicContact CB-CD2 3.97Å; K293-L361 HydrophobicContact CD-CD2 4.22Å
294L75.5Confident75.1Confident90 Ų9081.5 Ų81.547%0.47140%0.398SS..Hα-helixtrans-68.1-41.6177.9-168.371.6000112.1M290 E291 T292 R296 L297 N298M290-L294 WeakPolarHBondContact O-CB 3.46Å; M290-L294 PolarHBondContact O-N 3.35Å; E291-L294 PolarHBondContact O-N 3.3Å; T292-L294 VanDerWaalsContact C-N 3.33Å; T292-L294 PolarHBondContact O-N 3.16Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 3.28Å; L294-L297 HydrophobicContact CD1-CD2 4.46Å; L294-L297 WeakPolarHBondContact O-CB 3.34Å; L294-L297 PolarHBondContact O-N 3.33Å; L294-N298 PolarHBondContact O-N 3.24Å
295M78Confident75.4Confident137 Ų13784.1 Ų84.168%0.67540%0.399SS*.Hα-helixtrans-60.2-43.5172.9-73.5-174-173.100111.5E291 T292 N298 S299E291-M295 WeakPolarHBondContact O-CG 3.5Å; E291-M295 PolarHBondContact O-N 2.7Å; T292-M295 PolarHBondContact O-N 2.81Å; M295-N298 PolarHBondContact O-N 3.49Å; M295-S299 PolarHBondContact O-N 2.84Å
296R78.7Confident75.9Confident89 Ų8982 Ų8234%0.33639%0.39SS..Hα-helixtrans-62.5-40.8174.5-176.2178.1172.9120.80.8112T292 K293 L294 N298 S299 L300 E353 L357 E411T292-R296 PolarHBondContact O-N 3.38Å; K293-R296 PolarHBondContact O-N 3.13Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 3.28Å; R296-N298 PolarHBondContact O-N 3.44Å; R296-S299 PolarHBondContact O-N 3.3Å; R296-S299 PolarHBondContact O-OG 3.45Å; R296-L300 HydrophobicContact CG-CD1 4.17Å; R296-L300 WeakPolarHBondContact O-CG 3.47Å; R296-L300 PolarHBondContact O-N 3.47Å; R296-E353 IonicContact CZ-OE1 2.78Å; R296-E353 IonicContact NE-OE1 2.68Å; R296-E353 PolarHBondContact NE-OE1 3.49Å; R296-E353 IonicContact NH2-OE1 3.88Å; R296-E353 PolarHBondContact NH2-OE1 2.91Å; R296-L357 HydrophobicContact CG-CD1 3.92Å; R296-E411 IonicContact CZ-OE1 3.27Å; R296-E411 IonicContact NH1-OE1 3.44Å; R296-E411 VanDerWaalsContact NH2-CD 3.27Å; R296-E411 IonicContact NH2-OE1 2.63Å; R296-E411 PolarHBondContact NH2-OE1 3.11Å; R296-E411 IonicContact NH2-OE2 3.51Å; R296-E411 PolarHBondContact NH2-OE2 2.89Å; R296-E411 VanDerWaalsContact NH2-OE2 3.11Å
297L79.2Confident76.2Confident4 Ų480.5 Ų80.52%0.02138%0.377CS..Hα-helixtrans-62-43.7176.4-178.665.3000111.6K293 L294 L300 K301 I354 Y358 L361K293-L297 WeakPolarHBondContact O-CB 3.49Å; K293-L297 PolarHBondContact O-N 3.43Å; L294-L297 HydrophobicContact CD1-CD2 4.46Å; L294-L297 WeakPolarHBondContact O-CB 3.34Å; L294-L297 PolarHBondContact O-N 3.33Å; L297-L300 PolarHBondContact O-N 2.91Å; L297-K301 WeakPolarHBondContact O-CG 3.45Å; L297-K301 PolarHBondContact O-N 3.28Å; L297-I354 HydrophobicContact CD1-CB 4.44Å; L297-I354 HydrophobicContact CD1-CG1 4.28Å; L297-I354 HydrophobicContact CD1-CG2 3.96Å; L297-Y358 HydrophobicContact CD1-CD2 4.25Å; L297-Y358 HydrophobicContact CD1-CE2 3.91Å; L297-Y358 HydrophobicContact CD2-CD1 4.5Å; L297-Y358 HydrophobicContact CD2-CE1 3.91Å; L297-Y358 HydrophobicContact CD2-CE2 4.36Å; L297-L361 HydrophobicContact CD2-CD1 4.2Å
298N78.9Confident76.2Confident88 Ų8877.9 Ų77.947%0.47137%0.372SS..Hα-helixtrans-65.4-40.8178.4-75.6-22.1000112.2L294 M295 R296 L300 K301 E302L294-N298 PolarHBondContact O-N 3.24Å; M295-N298 PolarHBondContact O-N 3.49Å; R296-N298 PolarHBondContact O-N 3.44Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-L300 PolarHBondContact O-N 2.92Å; N298-K301 PolarHBondContact O-N 2.92Å; N298-E302 PolarHBondContact O-N 2.88Å
299S81.3Confident76.2Confident61 Ų6177.3 Ų77.343%0.42737%0.365SS..Hα-helixtrans-65.1-37.9176.771.40000112.3M295 R296 E302 M303M295-S299 PolarHBondContact O-N 2.84Å; R296-S299 PolarHBondContact O-N 3.3Å; R296-S299 PolarHBondContact O-OG 3.45Å; S299-E302 PolarHBondContact O-N 2.84Å; S299-M303 PolarHBondContact O-N 3.48Å
300L79Confident76.4Confident4 Ų480.1 Ų80.12%0.02137%0.374CS..Hα-helixtrans-67.8-39.7174.6-71.9168.9000112.4R296 L297 N298 E302 M303 R304 V350 E353 I354 L357 E411R296-L300 HydrophobicContact CG-CD1 4.17Å; R296-L300 WeakPolarHBondContact O-CG 3.47Å; R296-L300 PolarHBondContact O-N 3.47Å; L297-L300 PolarHBondContact O-N 2.91Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-L300 PolarHBondContact O-N 2.92Å; L300-E302 VanDerWaalsContact C-N 3.29Å; L300-E302 PolarHBondContact O-N 2.86Å; L300-M303 PolarHBondContact O-N 3.25Å; L300-R304 WeakPolarHBondContact O-CB 3.38Å; L300-R304 PolarHBondContact O-N 3.49Å; L300-V350 HydrophobicContact CB-CG1 4.16Å; L300-V350 HydrophobicContact CD2-CG1 4.18Å; L300-V350 HydrophobicContact CD2-CG2 4.48Å; L300-V350 VanDerWaalsContact O-CG1 3.29Å; L300-V350 WeakPolarHBondContact O-CG1 3.47Å; L300-E353 HydrophobicContact CD1-CB 4.38Å; L300-E353 HydrophobicContact CD1-CG 3.57Å; L300-E353 HydrophobicContact CD2-CG 4.41Å; L300-I354 HydrophobicContact CB-CD1 4.13Å; L300-I354 HydrophobicContact CB-CG1 3.76Å; L300-I354 HydrophobicContact CD1-CG1 4.39Å; L300-L357 HydrophobicContact CD1-CD1 3.37Å; L300-E411 HydrophobicContact CD2-CB 3.85Å; L300-E411 HydrophobicContact CD2-CG 4.19Å
301K79.2Confident76.1Confident71 Ų7175.4 Ų75.431%0.30935%0.353SS..Hα-helixtrans-60.1-40.4173.6-75.8179177.9-176.50111.9L297 N298 R304 Y305 I354 Y358L297-K301 WeakPolarHBondContact O-CG 3.45Å; L297-K301 PolarHBondContact O-N 3.28Å; N298-K301 PolarHBondContact O-N 2.92Å; K301-R304 WeakPolarHBondContact O-CB 3.23Å; K301-Y305 PolarHBondContact O-N 2.88Å; K301-Y305 VanDerWaalsContact O-N 3.16Å; K301-I354 HydrophobicContact CG-CD1 4.33Å; K301-Y358 VanDerWaalsContact CE-OH 3.26Å; K301-Y358 WeakPolarHBondContact CE-OH 3.37Å; K301-Y358 PolarHBondContact NZ-OH 3.28Å
302E79.3Confident75.6Confident104 Ų10478.8 Ų78.849%0.48636%0.363SS..Hα-helixtrans-66.4-43.3174.9-168.2-176.9177.200111.7N298 S299 L300 R304 Y305 R306N298-E302 PolarHBondContact O-N 2.88Å; S299-E302 PolarHBondContact O-N 2.84Å; L300-E302 VanDerWaalsContact C-N 3.29Å; L300-E302 PolarHBondContact O-N 2.86Å; E302-R304 VanDerWaalsContact C-N 3.35Å; E302-R304 PolarHBondContact O-N 3.32Å; E302-Y305 PolarHBondContact O-N 3.46Å; E302-R306 WeakPolarHBondContact O-CG 3.4Å; E302-R306 PolarHBondContact O-N 3.47Å; E302-R306 IonicContact OE1-CZ 2.73Å; E302-R306 VanDerWaalsContact OE1-CZ 3.27Å; E302-R306 IonicContact OE1-NE 3.42Å; E302-R306 PolarHBondContact OE1-NE 3.44Å; E302-R306 IonicContact OE1-NH2 3.31Å; E302-R306 PolarHBondContact OE1-NH2 2.91Å
303M78.6Confident75.4Confident77 Ų7780.1 Ų80.138%0.37936%0.363SS..Hα-helixtrans-59.3-45.2175.7-168.6-179.8-59.800111.6S299 L300 Y305 R306 D307 V350S299-M303 PolarHBondContact O-N 3.48Å; L300-M303 PolarHBondContact O-N 3.25Å; M303-Y305 VanDerWaalsContact C-N 3.34Å; M303-Y305 PolarHBondContact O-N 3.09Å; M303-R306 PolarHBondContact O-N 2.94Å; M303-R306 VanDerWaalsContact O-N 3.16Å; M303-D307 PolarHBondContact O-N 3Å; M303-V350 HydrophobicContact CG-CG2 4.14Å; M303-V350 HydrophobicContact SD-CG2 3.69Å
304R75.8Confident75Confident94 Ų9479 Ų7936%0.35536%0.361SS..Hα-helixtrans-53.4-49.9174.9-176.7-178.371.4170.55.6111.6L300 K301 E302 D307 M308 Y347 V350 N351 I354L300-R304 WeakPolarHBondContact O-CB 3.38Å; L300-R304 PolarHBondContact O-N 3.49Å; K301-R304 WeakPolarHBondContact O-CB 3.23Å; E302-R304 VanDerWaalsContact C-N 3.35Å; E302-R304 PolarHBondContact O-N 3.32Å; R304-D307 PolarHBondContact O-N 3.25Å; R304-M308 WeakPolarHBondContact O-CB 3.43Å; R304-M308 PolarHBondContact O-N 2.88Å; R304-Y347 HydrophobicContact CG-CD2 3.7Å; R304-Y347 HydrophobicContact CG-CE2 3.46Å; R304-Y347 VanDerWaalsContact CG-CE2 3.46Å; R304-V350 HydrophobicContact CB-CG1 3.85Å; R304-N351 WeakPolarHBondContact CD-OD1 3.48Å; R304-I354 HydrophobicContact CB-CD1 4.37Å
305Y73.9Confident74.5Confident143 Ų14378 Ų7856%0.56136%0.355SS*.Hα-helixtrans-62-44.4178.4-179.8-99.4000111.7K301 E302 M303 M308 M309K301-Y305 PolarHBondContact O-N 2.88Å; K301-Y305 VanDerWaalsContact O-N 3.16Å; E302-Y305 PolarHBondContact O-N 3.46Å; M303-Y305 VanDerWaalsContact C-N 3.34Å; M303-Y305 PolarHBondContact O-N 3.09Å; Y305-M308 HydrophobicContact CD2-CE 3.89Å; Y305-M308 HydrophobicContact CE2-CE 4.14Å; Y305-M308 PolarHBondContact O-N 3.42Å; Y305-M309 HydrophobicContact CD1-CG 4.29Å; Y305-M309 HydrophobicContact CE1-CG 3.91Å; Y305-M309 HydrophobicContact CE2-CG 4.25Å; Y305-M309 HydrophobicContact CE2-SD 4.49Å; Y305-M309 WeakPolarHBondContact O-CB 3.49Å; Y305-M309 VanDerWaalsContact O-CG 3.29Å; Y305-M309 WeakPolarHBondContact O-CG 3.49Å; Y305-M309 PolarHBondContact O-N 3.47Å
306R78.6Confident73.6Confident124 Ų12473.4 Ų73.447%0.46834%0.337SS..Hα-helixtrans-62-44.5178.5-70.5175.3-178.3-161.72.1112.2E302 M303 M309 R310E302-R306 WeakPolarHBondContact O-CG 3.4Å; E302-R306 PolarHBondContact O-N 3.47Å; E302-R306 IonicContact OE1-CZ 2.73Å; E302-R306 VanDerWaalsContact OE1-CZ 3.27Å; E302-R306 IonicContact OE1-NE 3.42Å; E302-R306 PolarHBondContact OE1-NE 3.44Å; E302-R306 IonicContact OE1-NH2 3.31Å; E302-R306 PolarHBondContact OE1-NH2 2.91Å; M303-R306 PolarHBondContact O-N 2.94Å; M303-R306 VanDerWaalsContact O-N 3.16Å; R306-M309 PolarHBondContact O-N 2.89Å; R306-R310 WeakPolarHBondContact O-CG 3.21Å; R306-R310 PolarHBondContact O-N 3.2Å
307D73.5Confident72.7Confident2 Ų272.6 Ų72.61%0.01134%0.341CS..Hα-helixtrans-72.3-36.4-178.9-73.9-31.1000112.5M303 R304 M309 R310 S311 R346M303-D307 PolarHBondContact O-N 3Å; R304-D307 PolarHBondContact O-N 3.25Å; D307-M309 PolarHBondContact O-N 3.29Å; D307-R310 PolarHBondContact O-N 3.48Å; D307-R310 IonicContact OD1-CZ 3.06Å; D307-R310 IonicContact OD1-NH1 3.82Å; D307-R310 PolarHBondContact OD1-NH1 3.24Å; D307-S311 PolarHBondContact O-N 3.37Å; D307-R346 HydrophobicContact CB-CB 4.33Å; D307-R346 WeakPolarHBondContact OD2-CB 3.5Å
308M71.5Confident71.8Confident87 Ų8774.9 Ų74.943%0.42935%0.35SS..Hα-helixtrans-57.7-48.4169-177-17471.700111.2R304 Y305 R310 S311 Y312 Y347R304-M308 WeakPolarHBondContact O-CB 3.43Å; R304-M308 PolarHBondContact O-N 2.88Å; Y305-M308 HydrophobicContact CD2-CE 3.89Å; Y305-M308 HydrophobicContact CE2-CE 4.14Å; Y305-M308 PolarHBondContact O-N 3.42Å; M308-R310 VanDerWaalsContact C-N 3.35Å; M308-R310 PolarHBondContact O-N 2.87Å; M308-S311 WeakPolarHBondContact O-CB 3.21Å; M308-S311 PolarHBondContact O-N 3.31Å; M308-Y312 PolarHBondContact O-N 3.08Å; M308-Y347 HydrophobicContact CB-CD2 4.25Å; M308-Y347 HydrophobicContact CB-CE2 4.39Å
309M73.6Confident70.7Confident63 Ų6375.6 Ų75.631%0.3135%0.353SS..Hα-helixtrans-63-38.3178.3-72.4-57.7-63.800112.6Y305 R306 D307 Y312 Q313Y305-M309 HydrophobicContact CD1-CG 4.29Å; Y305-M309 HydrophobicContact CE1-CG 3.91Å; Y305-M309 HydrophobicContact CE2-CG 4.25Å; Y305-M309 HydrophobicContact CE2-SD 4.49Å; Y305-M309 WeakPolarHBondContact O-CB 3.49Å; Y305-M309 VanDerWaalsContact O-CG 3.29Å; Y305-M309 WeakPolarHBondContact O-CG 3.49Å; Y305-M309 PolarHBondContact O-N 3.47Å; R306-M309 PolarHBondContact O-N 2.89Å; D307-M309 PolarHBondContact O-N 3.29Å; M309-Y312 PolarHBondContact O-N 2.6Å; M309-Q313 WeakPolarHBondContact O-CB 3.33Å; M309-Q313 WeakPolarHBondContact O-CG 3.5Å; M309-Q313 PolarHBondContact O-N 3.07Å
310R73.8Confident69.5Low116 Ų11678.1 Ų78.144%0.43836%0.357SS..Hα-helixtrans-64.6-42.6174.2-74.6174.7-175.2142.9-2.1112.3R306 D307 M308 Q313 S314 A343R306-R310 WeakPolarHBondContact O-CG 3.21Å; R306-R310 PolarHBondContact O-N 3.2Å; D307-R310 PolarHBondContact O-N 3.48Å; D307-R310 IonicContact OD1-CZ 3.06Å; D307-R310 IonicContact OD1-NH1 3.82Å; D307-R310 PolarHBondContact OD1-NH1 3.24Å; M308-R310 VanDerWaalsContact C-N 3.35Å; M308-R310 PolarHBondContact O-N 2.87Å; R310-Q313 PolarHBondContact O-N 2.86Å; R310-S314 VanDerWaalsContact O-CB 3.29Å; R310-S314 WeakPolarHBondContact O-CB 3.45Å; R310-S314 PolarHBondContact O-N 2.9Å; R310-A343 HydrophobicContact CB-CB 4.41Å
311S67.6Low68.1Low25 Ų2580.9 Ų80.918%0.17537%0.372CS..Hα-helixtrans-60.8-48.6175.9-171.60000110.6D307 M308 Q313 S314 L315D307-S311 PolarHBondContact O-N 3.37Å; M308-S311 WeakPolarHBondContact O-CB 3.21Å; M308-S311 PolarHBondContact O-N 3.31Å; S311-Q313 PolarHBondContact O-N 2.78Å; S311-S314 PolarHBondContact O-N 3.12Å; S311-L315 WeakPolarHBondContact O-CB 3.29Å; S311-L315 WeakPolarHBondContact O-CG 3.38Å; S311-L315 PolarHBondContact O-N 2.59Å
312Y63.9Low66.6Low154 Ų15483.5 Ų83.560%0.60438%0.384SS*.Hα-helixtrans-59.4-48.2176.3-179.5-92.8000112.1M308 M309 S314 L315 S316M308-Y312 PolarHBondContact O-N 3.08Å; M309-Y312 PolarHBondContact O-N 2.6Å; Y312-S314 VanDerWaalsContact C-N 3.35Å; Y312-S314 PolarHBondContact O-N 3.46Å; Y312-L315 PolarHBondContact O-N 2.68Å; Y312-S316 VanDerWaalsContact O-CB 3.25Å; Y312-S316 WeakPolarHBondContact O-CB 3.04Å; Y312-S316 PolarHBondContact O-N 3.01Å
313Q69.9Low65.1Low112 Ų11285.3 Ų85.352%0.52339%0.392SS..Hα-helixtrans-57.8-48.6176.7-77.3172.7-6.900110.8M309 R310 S311 L315 S316 T317M309-Q313 WeakPolarHBondContact O-CB 3.33Å; M309-Q313 WeakPolarHBondContact O-CG 3.5Å; M309-Q313 PolarHBondContact O-N 3.07Å; R310-Q313 PolarHBondContact O-N 2.86Å; S311-Q313 PolarHBondContact O-N 2.78Å; Q313-L315 VanDerWaalsContact C-N 3.33Å; Q313-L315 PolarHBondContact O-N 2.84Å; Q313-S316 WeakPolarHBondContact O-CB 3.48Å; Q313-S316 PolarHBondContact O-N 3.09Å; Q313-S316 VanDerWaalsContact O-N 3.16Å; Q313-T317 PolarHBondContact O-N 3.37Å; Q313-T317 PolarHBondContact O-OG1 2.85Å
314S65.6Low63.5Low15 Ų1586.2 Ų86.211%0.10540%0.402CS..Hα-helixtrans-61.6-39.6-180-171.80000112.9R310 S311 Y312 R318 A336R310-S314 VanDerWaalsContact O-CB 3.29Å; R310-S314 WeakPolarHBondContact O-CB 3.45Å; R310-S314 PolarHBondContact O-N 2.9Å; S311-S314 PolarHBondContact O-N 3.12Å; Y312-S314 VanDerWaalsContact C-N 3.35Å; Y312-S314 PolarHBondContact O-N 3.46Å; S314-R318 WeakPolarHBondContact O-CG 3.34Å; S314-R318 PolarHBondContact O-N 2.83Å; S314-A336 PolarHBondContact OG-O 3.42Å
315L64.1Low61.9Low69 Ų6985 Ų8536%0.36141%0.407SS..Hα-helixtrans-69.5-40.9174.1-71.3167.6000111.9S311 Y312 Q313 T317 R318 I319 A340S311-L315 WeakPolarHBondContact O-CB 3.29Å; S311-L315 WeakPolarHBondContact O-CG 3.38Å; S311-L315 PolarHBondContact O-N 2.59Å; Y312-L315 PolarHBondContact O-N 2.68Å; Q313-L315 VanDerWaalsContact C-N 3.33Å; Q313-L315 PolarHBondContact O-N 2.84Å; L315-T317 PolarHBondContact O-N 3.08Å; L315-R318 WeakPolarHBondContact O-CB 3.33Å; L315-R318 PolarHBondContact O-N 3.44Å; L315-R318 VanDerWaalsContact O-N 3.14Å; L315-I319 PolarHBondContact O-N 3.11Å; L315-I319 VanDerWaalsContact O-N 3.1Å; L315-A340 HydrophobicContact CD2-CB 4.28Å; L315-A340 HydrophobicContact CG-CB 4.19Å
316S60.2Low60.4Low40 Ų4083.4 Ų83.428%0.2842%0.416SS..Hα-helixtrans-63.5-40177.7-174.60000111.6Y312 Q313 R318 I319 H320Y312-S316 VanDerWaalsContact O-CB 3.25Å; Y312-S316 WeakPolarHBondContact O-CB 3.04Å; Y312-S316 PolarHBondContact O-N 3.01Å; Q313-S316 WeakPolarHBondContact O-CB 3.48Å; Q313-S316 PolarHBondContact O-N 3.09Å; Q313-S316 VanDerWaalsContact O-N 3.16Å; S316-R318 VanDerWaalsContact C-N 3.25Å; S316-R318 PolarHBondContact O-N 3.4Å; S316-I319 PolarHBondContact O-N 3.12Å; S316-H320 PolarHBondContact O-N 2.87Å
317T60.1Low58.6Low71 Ų7184.7 Ų84.744%0.43643%0.431SS..Hα-helixtrans-59.8-39.8174.2-35.30000110.2Q313 L315 I319 H320 D321Q313-T317 PolarHBondContact O-N 3.37Å; Q313-T317 PolarHBondContact O-OG1 2.85Å; L315-T317 PolarHBondContact O-N 3.08Å; T317-I319 PolarHBondContact O-N 3.34Å; T317-H320 PolarHBondContact O-N 2.83Å; T317-D321 WeakPolarHBondContact O-CB 3.36Å; T317-D321 PolarHBondContact O-N 2.92Å
318R59.6Low57.2Low52 Ų5292 Ų9220%0.19647%0.471CS..Hα-helixtrans-62.4-42.5174.8-62.5-170.1-148.8153.816.2113.1S314 L315 S316 H320 F322 A336 R337S314-R318 WeakPolarHBondContact O-CG 3.34Å; S314-R318 PolarHBondContact O-N 2.83Å; L315-R318 WeakPolarHBondContact O-CB 3.33Å; L315-R318 PolarHBondContact O-N 3.44Å; L315-R318 VanDerWaalsContact O-N 3.14Å; S316-R318 VanDerWaalsContact C-N 3.25Å; S316-R318 PolarHBondContact O-N 3.4Å; R318-H320 VanDerWaalsContact C-N 3.29Å; R318-F322 WeakPolarHBondContact O-CB 3.4Å; R318-F322 PolarHBondContact O-N 2.82Å; R318-A336 HydrophobicContact CG-CB 3.73Å; R318-A336 PolarHBondContact NH2-O 2.86Å; R318-R337 VanDerWaalsContact CZ-CG 3.42Å
319I55.9Low56.2Low104 Ų10489.2 Ų89.253%0.53346%0.464SS..Hα-helixtrans-63.1-43.6179.3-66.7170.3000108.9L315 S316 T317 F322 H323L315-I319 PolarHBondContact O-N 3.11Å; L315-I319 VanDerWaalsContact O-N 3.1Å; S316-I319 PolarHBondContact O-N 3.12Å; T317-I319 PolarHBondContact O-N 3.34Å; I319-F322 PolarHBondContact O-N 3.26Å; I319-H323 PolarHBondContact O-CD2 3.28Å; I319-H323 PolarHBondContact O-N 3.47Å
320H55.2Low55.5Low113 Ų11389.2 Ų89.252%0.52347%0.465SS..Hα-helixtrans-66-47.9178.5-162.548.5000112.4S316 T317 R318 F322 H323 V324S316-H320 PolarHBondContact O-N 2.87Å; T317-H320 PolarHBondContact O-N 2.83Å; R318-H320 VanDerWaalsContact C-N 3.29Å; H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 PolarHBondContact O-N 2.89Å; H320-H323 PolarHBondContact O-N 3.16Å; H320-H323 VanDerWaalsContact O-N 3.11Å; H320-V324 WeakPolarHBondContact O-CB 3.43Å; H320-V324 WeakPolarHBondContact O-CG2 3.37Å; H320-V324 PolarHBondContact O-N 3.4Å
321D49.8Very low55Low63 Ų6386.5 Ų86.534%0.33746%0.461SS..Hα-helixtrans-64.7-34178.5-65.1-19.9000111.8T317 S325T317-D321 WeakPolarHBondContact O-CB 3.36Å; T317-D321 PolarHBondContact O-N 2.92Å; D321-S325 CarbonylContact O-C 3.56Å; D321-S325 WeakPolarHBondContact O-CA 3.47Å; D321-S325 WeakPolarHBondContact O-CB 3.45Å; D321-S325 PolarHBondContact O-N 3.06Å
322F48.4Very low54.8Low125 Ų12591.2 Ų91.255%0.54848%0.481SS..Hα-helixtrans-65.5-39.9173.5-177-95.4000111.9R318 I319 H320 H462R318-F322 WeakPolarHBondContact O-CB 3.4Å; R318-F322 PolarHBondContact O-N 2.82Å; I319-F322 PolarHBondContact O-N 3.26Å; H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 PolarHBondContact O-N 2.89Å; F322-H462 AromaticContact CE2-CE1 3.92Å
323H46.9Very low55Low143 Ų14385.5 Ų85.566%0.66246%0.46SS*.Hα-helixtrans-76.3-33178.8-81.6-64.5000113.5I319 H320I319-H323 PolarHBondContact O-CD2 3.28Å; I319-H323 PolarHBondContact O-N 3.47Å; H320-H323 PolarHBondContact O-N 3.16Å; H320-H323 VanDerWaalsContact O-N 3.11Å
324V46.6Very low55.2Low96 Ų9680.2 Ų80.258%0.58244%0.436SS*.Hα-helixtrans-91.3-32.5-174.9176.60000112.2H320H320-V324 WeakPolarHBondContact O-CB 3.43Å; H320-V324 WeakPolarHBondContact O-CG2 3.37Å; H320-V324 PolarHBondContact O-N 3.4Å
325S41.5Very low55.6Low68 Ų6881.7 Ų81.748%0.47645%0.449SS..  trans-131.476.8-169.8-60.50000110.7D321 L327D321-S325 CarbonylContact O-C 3.56Å; D321-S325 WeakPolarHBondContact O-CA 3.47Å; D321-S325 WeakPolarHBondContact O-CB 3.45Å; D321-S325 PolarHBondContact O-N 3.06Å; S325-L327 PolarHBondContact O-N 2.98Å
326C41.5Very low55.8Low109 Ų10979.1 Ų79.174%0.73644%0.437SS*.SBendtrans-54.2111.5157.1-66.50000108
327L42.2Very low56.3Low152 Ų15277.7 Ų77.780%0.79643%0.426SS*.SBendtrans105.9-1.4151.9-61.4155000122.6S325S325-L327 PolarHBondContact O-N 2.98Å
328N42.9Very low57.2Low156 Ų15674.4 Ų74.483%0.83441%0.406SS*.  trans-127-5.3-176.6-75.6-26.8000119.3L330N328-L330 PolarHBondContact O-N 3.37Å
329G50.5Low58.1Low28 Ų2876.4 Ų76.429%0.28942%0.419SS..  trans-94.737.9-173.900000116.8T331 E332 N333G329-T331 VanDerWaalsContact C-N 3.27Å; G329-T331 PolarHBondContact O-N 3.49Å; G329-T331 VanDerWaalsContact O-N 3.15Å; G329-E332 PolarHBondContact O-N 2.89Å; G329-E332 VanDerWaalsContact O-N 3.17Å; G329-N333 WeakPolarHBondContact O-CB 3.26Å; G329-N333 PolarHBondContact O-N 3.31Å
330L59.5Low58.8Low62 Ų6271.9 Ų71.933%0.32540%0.397SS..Hα-helixtrans-54-37.4-171.5-88.6143000114.2N328 I334 K400 N456N328-L330 PolarHBondContact O-N 3.37Å; L330-I334 WeakPolarHBondContact O-CD1 3.34Å; L330-I334 WeakPolarHBondContact O-CG1 3.29Å; L330-I334 PolarHBondContact O-N 2.92Å; L330-K400 HydrophobicContact CB-CD 4.12Å; L330-K400 HydrophobicContact CD1-CD 4.38Å; L330-K400 HydrophobicContact CD2-CD 3.81Å; L330-K400 HydrophobicContact CD2-CG 4.23Å; L330-K400 HydrophobicContact CG-CD 4.32Å; L330-N456 HydrophobicContact CD2-CB 4.16Å; L330-N456 WeakPolarHBondContact CD2-ND2 3.36Å
331T63.3Low59.9Low59 Ų5967.4 Ų67.436%0.36238%0.377SS..Hα-helixtrans-79.4-39.6178.744.30000112.7G329 N333 I334 A335 Y420G329-T331 VanDerWaalsContact C-N 3.27Å; G329-T331 PolarHBondContact O-N 3.49Å; G329-T331 VanDerWaalsContact O-N 3.15Å; T331-N333 VanDerWaalsContact C-N 3.33Å; T331-N333 PolarHBondContact O-N 2.98Å; T331-I334 PolarHBondContact O-N 3.42Å; T331-A335 WeakPolarHBondContact O-CB 3.41Å; T331-A335 PolarHBondContact O-N 2.77Å; T331-Y420 HydrophobicContact CG2-CE1 4.16Å; T331-Y420 PolarHBondContact O-OH 2.87Å
332E62.8Low61.5Low125 Ų12564.7 Ų64.758%0.58436%0.362SS*.Hα-helixtrans-65.5-39178.5-68.6170.6172.400110.9G329 I334 A335 A336G329-E332 PolarHBondContact O-N 2.89Å; G329-E332 VanDerWaalsContact O-N 3.17Å; E332-I334 PolarHBondContact O-N 3.45Å; E332-A335 PolarHBondContact O-N 3.49Å; E332-A336 WeakPolarHBondContact O-CB 3.37Å; E332-A336 PolarHBondContact O-N 2.97Å
333N69Low62.7Low34 Ų3459 Ų5918%0.18234%0.338CS..Hα-helixtrans-63.1-42.4174.4-165.6-38.6000111.5G329 T331 A336 R337G329-N333 WeakPolarHBondContact O-CB 3.26Å; G329-N333 PolarHBondContact O-N 3.31Å; T331-N333 VanDerWaalsContact C-N 3.33Å; T331-N333 PolarHBondContact O-N 2.98Å; N333-A336 PolarHBondContact O-N 3.47Å; N333-R337 WeakPolarHBondContact O-CB 2.99Å; N333-R337 VanDerWaalsContact O-CG 3.23Å; N333-R337 WeakPolarHBondContact O-CG 3.34Å; N333-R337 PolarHBondContact O-N 3.02Å; N333-R337 PolarHBondContact OD1-NE 2.94Å; N333-R337 PolarHBondContact OD1-NH2 3.16Å
334I73.5Confident64Low0 Ų053.1 Ų53.10%032%0.317CS..Hα-helixtrans-67.4-40.8176.4-72.7169.6000111.3L330 T331 E332 R337 A338 K400 A402 V418 Y420 M454L330-I334 WeakPolarHBondContact O-CD1 3.34Å; L330-I334 WeakPolarHBondContact O-CG1 3.29Å; L330-I334 PolarHBondContact O-N 2.92Å; T331-I334 PolarHBondContact O-N 3.42Å; E332-I334 PolarHBondContact O-N 3.45Å; I334-R337 WeakPolarHBondContact O-CA 3.37Å; I334-R337 WeakPolarHBondContact O-CB 2.91Å; I334-R337 PolarHBondContact O-N 2.89Å; I334-R337 VanDerWaalsContact O-N 3.15Å; I334-A338 PolarHBondContact O-N 3.37Å; I334-K400 HydrophobicContact CD1-CB 4.34Å; I334-A402 HydrophobicContact CD1-CB 4.17Å; I334-A402 HydrophobicContact CG2-CB 3.51Å; I334-V418 HydrophobicContact CG2-CG1 3.85Å; I334-Y420 HydrophobicContact CB-CE1 4.06Å; I334-Y420 HydrophobicContact CD1-CD1 4.19Å; I334-Y420 HydrophobicContact CD1-CE1 3.62Å; I334-Y420 HydrophobicContact CG1-CE1 4.43Å; I334-Y420 HydrophobicContact CG2-CE1 3.78Å; I334-M454 HydrophobicContact CG2-CE 4.01Å; I334-M454 HydrophobicContact CG2-SD 4.38Å
335A75.1Confident65.6Low46 Ų4648.9 Ų48.938%0.3829%0.291SS..Hα-helixtrans-62.7-45.2175.500000111.5T331 E332 R337 A338 M339T331-A335 WeakPolarHBondContact O-CB 3.41Å; T331-A335 PolarHBondContact O-N 2.77Å; E332-A335 PolarHBondContact O-N 3.49Å; A335-R337 VanDerWaalsContact C-N 3.26Å; A335-R337 PolarHBondContact O-N 3.22Å; A335-A338 PolarHBondContact O-N 3.35Å; A335-M339 WeakPolarHBondContact O-CG 3.26Å; A335-M339 PolarHBondContact O-N 3.31Å
336A66.7Low67.5Low15 Ų1548.9 Ų48.912%0.12428%0.28CS..Hα-helixtrans-63.6-31.4173.300000112.2S314 R318 E332 N333 A340S314-A336 PolarHBondContact OG-O 3.42Å; R318-A336 HydrophobicContact CG-CB 3.73Å; R318-A336 PolarHBondContact NH2-O 2.86Å; E332-A336 WeakPolarHBondContact O-CB 3.37Å; E332-A336 PolarHBondContact O-N 2.97Å; N333-A336 PolarHBondContact O-N 3.47Å; A336-A340 WeakPolarHBondContact O-CB 3.35Å; A336-A340 PolarHBondContact O-N 2.9Å; A336-A340 VanDerWaalsContact O-N 3.09Å
337R71Confident69.2Low10 Ų1046.7 Ų46.74%0.03826%0.257CS..Hα-helixtrans-63.7-50.5170.5-75.4175.7-164.5-168.412.7112.6R318 N333 I334 A335 M339 A340 L341 M454 V455 N456 H462R318-R337 VanDerWaalsContact CZ-CG 3.42Å; N333-R337 WeakPolarHBondContact O-CB 2.99Å; N333-R337 VanDerWaalsContact O-CG 3.23Å; N333-R337 WeakPolarHBondContact O-CG 3.34Å; N333-R337 PolarHBondContact O-N 3.02Å; N333-R337 PolarHBondContact OD1-NE 2.94Å; N333-R337 PolarHBondContact OD1-NH2 3.16Å; I334-R337 WeakPolarHBondContact O-CA 3.37Å; I334-R337 WeakPolarHBondContact O-CB 2.91Å; I334-R337 PolarHBondContact O-N 2.89Å; I334-R337 VanDerWaalsContact O-N 3.15Å; A335-R337 VanDerWaalsContact C-N 3.26Å; A335-R337 PolarHBondContact O-N 3.22Å; R337-M339 VanDerWaalsContact C-N 3.33Å; R337-M339 PolarHBondContact O-N 3.29Å; R337-A340 PolarHBondContact O-N 3.49Å; R337-L341 WeakPolarHBondContact O-CB 3.38Å; R337-L341 PolarHBondContact O-N 3.39Å; R337-M454 HydrophobicContact CB-SD 3.61Å; R337-V455 PolarHBondContact NH1-O 3.48Å; R337-V455 VanDerWaalsContact NH1-O 3.11Å; R337-N456 PolarHBondContact NH2-OD1 2.85Å; R337-N456 VanDerWaalsContact NH2-OD1 3.12Å; R337-H462 PolarHBondContact NH2-CD2 3.31Å; R337-H462 PolarHBondContact NH2-NE2 3.07Å
338A79.4Confident71Confident3 Ų345 Ų453%0.02524%0.24CC..Hα-helixtrans-58.8-45.7176.600000111.5I334 A335 L341 I342 I404 V418 M454I334-A338 PolarHBondContact O-N 3.37Å; A335-A338 PolarHBondContact O-N 3.35Å; A338-L341 WeakPolarHBondContact O-CB 3.37Å; A338-L341 PolarHBondContact O-N 2.87Å; A338-I342 WeakPolarHBondContact O-CD1 3.21Å; A338-I342 VanDerWaalsContact O-CG1 3.26Å; A338-I342 WeakPolarHBondContact O-CG1 3.29Å; A338-I342 PolarHBondContact O-N 2.88Å; A338-I404 HydrophobicContact CB-CD1 4.23Å; A338-V418 HydrophobicContact CB-CG2 3.48Å; A338-V418 VanDerWaalsContact CB-CG2 3.48Å; A338-M454 HydrophobicContact CB-CE 4.07Å; A338-M454 HydrophobicContact CB-SD 4.34Å
339M78.3Confident72.7Confident93 Ų9337.9 Ų37.946%0.45820%0.203SC..Hα-helixtrans-65.3-43.2-178.6-70.8-53.9-6000113.2A335 R337 L341 I342 A343A335-M339 WeakPolarHBondContact O-CG 3.26Å; A335-M339 PolarHBondContact O-N 3.31Å; R337-M339 VanDerWaalsContact C-N 3.33Å; R337-M339 PolarHBondContact O-N 3.29Å; M339-L341 VanDerWaalsContact C-N 3.3Å; M339-L341 PolarHBondContact O-N 3.5Å; M339-I342 PolarHBondContact O-N 2.99Å; M339-I342 HydrophobicContact SD-CD1 4.2Å; M339-A343 WeakPolarHBondContact O-CB 3.48Å; M339-A343 PolarHBondContact O-N 2.92Å
340A71.6Confident74.1Confident10 Ų1036.6 Ų36.68%0.08319%0.189CC..Hα-helixtrans-66-35.5175.200000112.1L315 A336 R337 A343 G344L315-A340 HydrophobicContact CD2-CB 4.28Å; L315-A340 HydrophobicContact CG-CB 4.19Å; A336-A340 WeakPolarHBondContact O-CB 3.35Å; A336-A340 PolarHBondContact O-N 2.9Å; A336-A340 VanDerWaalsContact O-N 3.09Å; R337-A340 PolarHBondContact O-N 3.49Å; A340-A343 PolarHBondContact O-N 2.8Å; A340-G344 PolarHBondContact O-N 2.91Å
341L78.1Confident75.1Confident19 Ų1934.9 Ų34.910%0.09918%0.18CC..Hα-helixtrans-62.3-50.3174.7179.9144.5000110.9R337 A338 M339 A343 G344 E345 V406 Y452 F466R337-L341 WeakPolarHBondContact O-CB 3.38Å; R337-L341 PolarHBondContact O-N 3.39Å; A338-L341 WeakPolarHBondContact O-CB 3.37Å; A338-L341 PolarHBondContact O-N 2.87Å; M339-L341 VanDerWaalsContact C-N 3.3Å; M339-L341 PolarHBondContact O-N 3.5Å; L341-A343 VanDerWaalsContact C-N 3.33Å; L341-A343 PolarHBondContact O-N 3.06Å; L341-G344 PolarHBondContact O-N 2.73Å; L341-E345 HydrophobicContact CD2-CG 4.36Å; L341-E345 WeakPolarHBondContact O-CG 2.87Å; L341-E345 PolarHBondContact O-N 3.13Å; L341-V406 HydrophobicContact CD2-CG2 4.11Å; L341-Y452 HydrophobicContact CD1-CD1 3.55Å; L341-Y452 HydrophobicContact CD1-CD2 4.37Å; L341-Y452 HydrophobicContact CD1-CE1 3.95Å; L341-Y452 HydrophobicContact CD1-CG 3.75Å; L341-Y452 HydrophobicContact CD2-CD1 4.46Å; L341-Y452 HydrophobicContact CD2-CD2 3.93Å; L341-Y452 HydrophobicContact CD2-CE1 4.49Å; L341-Y452 HydrophobicContact CD2-CE2 4.01Å; L341-Y452 HydrophobicContact CD2-CG 4.15Å; L341-Y452 HydrophobicContact CG-CD1 4.46Å; L341-Y452 HydrophobicContact CG-CE1 4.48Å; L341-F466 HydrophobicContact CD1-CD1 3.84Å; L341-F466 HydrophobicContact CD1-CE1 3.7Å
342I82.3Confident75.9Confident5 Ų538.2 Ų38.23%0.02619%0.191CC..Hα-helixtrans-59.2-45.3177.7-66.9156.5000110.8A338 M339 G344 E345 R346 I404 W415A338-I342 WeakPolarHBondContact O-CD1 3.21Å; A338-I342 VanDerWaalsContact O-CG1 3.26Å; A338-I342 WeakPolarHBondContact O-CG1 3.29Å; A338-I342 PolarHBondContact O-N 2.88Å; M339-I342 PolarHBondContact O-N 2.99Å; M339-I342 HydrophobicContact SD-CD1 4.2Å; I342-G344 VanDerWaalsContact C-N 3.33Å; I342-G344 PolarHBondContact O-N 2.93Å; I342-E345 PolarHBondContact O-N 3.43Å; I342-R346 WeakPolarHBondContact O-CG 3.4Å; I342-R346 PolarHBondContact O-N 2.83Å; I342-I404 HydrophobicContact CD1-CD1 3.88Å; I342-I404 HydrophobicContact CG1-CD1 4.25Å; I342-W415 HydrophobicContact CD1-CB 4.4Å; I342-W415 VanDerWaalsContact CD1-CD1 3.47Å; I342-W415 HydrophobicContact CD1-CD2 3.79Å; I342-W415 HydrophobicContact CD1-CG 3.63Å; I342-W415 HydrophobicContact CG1-CB 4.32Å; I342-W415 HydrophobicContact CG1-CD2 4.03Å; I342-W415 HydrophobicContact CG1-CE3 4.44Å; I342-W415 HydrophobicContact CG1-CG 3.94Å; I342-W415 HydrophobicContact CG2-CD2 3.81Å; I342-W415 HydrophobicContact CG2-CE3 3.5Å; I342-W415 HydrophobicContact CG2-CH2 3.93Å; I342-W415 HydrophobicContact CG2-CZ2 4.2Å; I342-W415 HydrophobicContact CG2-CZ3 3.57Å
343A73.3Confident76.7Confident5 Ų532.4 Ų32.44%0.04117%0.165CC..Hα-helixtrans-63.2-39.8178.200000112R310 M339 A340 L341 R346 Y347R310-A343 HydrophobicContact CB-CB 4.41Å; M339-A343 WeakPolarHBondContact O-CB 3.48Å; M339-A343 PolarHBondContact O-N 2.92Å; A340-A343 PolarHBondContact O-N 2.8Å; L341-A343 VanDerWaalsContact C-N 3.33Å; L341-A343 PolarHBondContact O-N 3.06Å; A343-R346 PolarHBondContact O-N 3.29Å; A343-Y347 WeakPolarHBondContact O-CB 3.49Å; A343-Y347 PolarHBondContact O-N 2.8Å
344G75.1Confident77.1Confident21 Ų2131 Ų3122%0.21616%0.157CC..Hα-helixtrans-65.2-40.317400000113.1A340 L341 I342 Y347 R348A340-G344 PolarHBondContact O-N 2.91Å; L341-G344 PolarHBondContact O-N 2.73Å; I342-G344 VanDerWaalsContact C-N 3.33Å; I342-G344 PolarHBondContact O-N 2.93Å; G344-Y347 PolarHBondContact O-N 2.86Å; G344-R348 WeakPolarHBondContact O-CG 3.38Å; G344-R348 PolarHBondContact O-N 2.81Å; G344-R348 VanDerWaalsContact O-N 3.08Å
345E79.2Confident77.3Confident6 Ų636.9 Ų36.93%0.02818%0.184CC..Hα-helixtrans-65.6-43174.8-66.5-51.3162.500112.5L341 I342 R348 C349 K408 V413 Y452L341-E345 HydrophobicContact CD2-CG 4.36Å; L341-E345 WeakPolarHBondContact O-CG 2.87Å; L341-E345 PolarHBondContact O-N 3.13Å; I342-E345 PolarHBondContact O-N 3.43Å; E345-R348 VanDerWaalsContact CD-NH2 3.25Å; E345-R348 PolarHBondContact O-N 2.78Å; E345-R348 IonicContact OE1-CZ 3.63Å; E345-R348 IonicContact OE1-NH2 2.68Å; E345-R348 PolarHBondContact OE1-NH2 3.42Å; E345-R348 IonicContact OE2-CZ 3.73Å; E345-R348 IonicContact OE2-NE 3.37Å; E345-R348 PolarHBondContact OE2-NE 3.06Å; E345-R348 IonicContact OE2-NH2 3.46Å; E345-R348 PolarHBondContact OE2-NH2 2.99Å; E345-C349 WeakPolarHBondContact O-CB 3.35Å; E345-C349 PolarHBondContact O-N 3.21Å; E345-C349 PolarHBondContact O-SG 2.76Å; E345-K408 HydrophobicContact CB-CD 4.49Å; E345-K408 IonicContact OE1-NZ 3.5Å; E345-K408 VanDerWaalsContact OE2-CE 3.29Å; E345-K408 WeakPolarHBondContact OE2-CE 3.39Å; E345-K408 IonicContact OE2-NZ 2.6Å; E345-K408 PolarHBondContact OE2-NZ 3.11Å; E345-V413 HydrophobicContact CB-CG1 4.27Å; E345-Y452 PolarHBondContact OE1-OH 2.97Å
346R81.8Confident77.4Confident69 Ų6939.6 Ų39.626%0.2618%0.184SC..Hα-helixtrans-60.4-46.7174.2-78.2-180163.8-168.6-9.6112.1D307 I342 A343 R348 C349 V350 V413 W415D307-R346 HydrophobicContact CB-CB 4.33Å; D307-R346 WeakPolarHBondContact OD2-CB 3.5Å; I342-R346 WeakPolarHBondContact O-CG 3.4Å; I342-R346 PolarHBondContact O-N 2.83Å; A343-R346 PolarHBondContact O-N 3.29Å; R346-R348 VanDerWaalsContact C-N 3.29Å; R346-R348 PolarHBondContact O-N 3.38Å; R346-C349 PolarHBondContact O-N 2.69Å; R346-V350 WeakPolarHBondContact O-CB 3.25Å; R346-V350 VanDerWaalsContact O-CG2 3.25Å; R346-V350 WeakPolarHBondContact O-CG2 3.37Å; R346-V350 PolarHBondContact O-N 3.16Å; R346-V413 HydrophobicContact CB-CG2 4.5Å; R346-V413 HydrophobicContact CG-CB 3.68Å; R346-V413 HydrophobicContact CG-CG1 4.21Å; R346-V413 HydrophobicContact CG-CG2 3.85Å; R346-W415 VanDerWaalsContact CZ-CH2 3.47Å; R346-W415 VanDerWaalsContact CZ-CZ3 3.42Å
347Y78Confident77.8Confident62 Ų6239.2 Ų39.224%0.24318%0.18CC..Hα-helixtrans-55.8-44.6177.2177.3-94.5000111.8R304 M308 A343 G344 N351R304-Y347 HydrophobicContact CG-CD2 3.7Å; R304-Y347 HydrophobicContact CG-CE2 3.46Å; R304-Y347 VanDerWaalsContact CG-CE2 3.46Å; M308-Y347 HydrophobicContact CB-CD2 4.25Å; M308-Y347 HydrophobicContact CB-CE2 4.39Å; A343-Y347 WeakPolarHBondContact O-CB 3.49Å; A343-Y347 PolarHBondContact O-N 2.8Å; G344-Y347 PolarHBondContact O-N 2.86Å; Y347-N351 WeakPolarHBondContact CE1-ND2 3.46Å; Y347-N351 WeakPolarHBondContact O-CB 3.21Å; Y347-N351 PolarHBondContact O-N 2.83Å; Y347-N351 PolarHBondContact OH-ND2 3.14Å
348R79Confident78.1Confident116 Ų11643.2 Ų43.244%0.43820%0.196SC..Hα-helixtrans-62.3-52.1176.2-74.9-169.9-83.7-144.8-4.6112.5G344 E345 R346 V350 N351 E352G344-R348 WeakPolarHBondContact O-CG 3.38Å; G344-R348 PolarHBondContact O-N 2.81Å; G344-R348 VanDerWaalsContact O-N 3.08Å; E345-R348 VanDerWaalsContact CD-NH2 3.25Å; E345-R348 PolarHBondContact O-N 2.78Å; E345-R348 IonicContact OE1-CZ 3.63Å; E345-R348 IonicContact OE1-NH2 2.68Å; E345-R348 PolarHBondContact OE1-NH2 3.42Å; E345-R348 IonicContact OE2-CZ 3.73Å; E345-R348 IonicContact OE2-NE 3.37Å; E345-R348 PolarHBondContact OE2-NE 3.06Å; E345-R348 IonicContact OE2-NH2 3.46Å; E345-R348 PolarHBondContact OE2-NH2 2.99Å; R346-R348 VanDerWaalsContact C-N 3.29Å; R346-R348 PolarHBondContact O-N 3.38Å; R348-V350 VanDerWaalsContact C-N 3.32Å; R348-V350 PolarHBondContact O-N 3.47Å; R348-N351 PolarHBondContact O-N 3.22Å; R348-N351 VanDerWaalsContact O-N 3.16Å; R348-E352 WeakPolarHBondContact O-CG 3.43Å; R348-E352 PolarHBondContact O-N 2.73Å
349C80Confident77.8Confident8 Ų847 Ų475%0.05422%0.223CC..Hα-helixtrans-57.4-43.2178-78.30000112.7E345 R346 E352 E353 Q410 V413E345-C349 WeakPolarHBondContact O-CB 3.35Å; E345-C349 PolarHBondContact O-N 3.21Å; E345-C349 PolarHBondContact O-SG 2.76Å; R346-C349 PolarHBondContact O-N 2.69Å; C349-E352 PolarHBondContact O-N 3.39Å; C349-E353 WeakPolarHBondContact O-CB 3.38Å; C349-E353 PolarHBondContact O-N 3.27Å; C349-Q410 WeakPolarHBondContact CB-O 3.39Å; C349-V413 HydrophobicContact CB-CG2 3.87Å
350V79Confident77.5Confident0 Ų045.7 Ų45.70%022%0.217CC..Hα-helixtrans-66.9-40.7177.2171.60000111.2L300 M303 R304 R346 R348 E353 I354 E411L300-V350 HydrophobicContact CB-CG1 4.16Å; L300-V350 HydrophobicContact CD2-CG1 4.18Å; L300-V350 HydrophobicContact CD2-CG2 4.48Å; L300-V350 VanDerWaalsContact O-CG1 3.29Å; L300-V350 WeakPolarHBondContact O-CG1 3.47Å; M303-V350 HydrophobicContact CG-CG2 4.14Å; M303-V350 HydrophobicContact SD-CG2 3.69Å; R304-V350 HydrophobicContact CB-CG1 3.85Å; R346-V350 WeakPolarHBondContact O-CB 3.25Å; R346-V350 VanDerWaalsContact O-CG2 3.25Å; R346-V350 WeakPolarHBondContact O-CG2 3.37Å; R346-V350 PolarHBondContact O-N 3.16Å; R348-V350 VanDerWaalsContact C-N 3.32Å; R348-V350 PolarHBondContact O-N 3.47Å; V350-E353 PolarHBondContact O-N 2.91Å; V350-I354 HydrophobicContact CG1-CD1 3.81Å; V350-I354 HydrophobicContact CG1-CG1 4.36Å; V350-I354 WeakPolarHBondContact O-CB 3.14Å; V350-I354 VanDerWaalsContact O-CG1 3.22Å; V350-I354 WeakPolarHBondContact O-CG1 3.17Å; V350-I354 PolarHBondContact O-N 3.04Å; V350-E411 HydrophobicContact CG2-CB 4.46Å
351N81.4Confident77.4Confident26 Ų2647.9 Ų47.914%0.13923%0.227CC..Hα-helixtrans-63.8-46175.5-82.5-4.4000112.1R304 Y347 R348 E353 I354 H355R304-N351 WeakPolarHBondContact CD-OD1 3.48Å; Y347-N351 WeakPolarHBondContact CE1-ND2 3.46Å; Y347-N351 WeakPolarHBondContact O-CB 3.21Å; Y347-N351 PolarHBondContact O-N 2.83Å; Y347-N351 PolarHBondContact OH-ND2 3.14Å; R348-N351 PolarHBondContact O-N 3.22Å; R348-N351 VanDerWaalsContact O-N 3.16Å; N351-E353 VanDerWaalsContact C-N 3.28Å; N351-E353 PolarHBondContact O-N 2.95Å; N351-I354 PolarHBondContact O-N 3.33Å; N351-H355 PolarHBondContact O-CD2 3.33Å; N351-H355 PolarHBondContact O-N 2.96Å
352E79.9Confident76.8Confident129 Ų12956.2 Ų56.260%0.60326%0.257SS*.Hα-helixtrans-57.3-43.1175.8-72.8170.6-173.300111R348 C349 H355 R356R348-E352 WeakPolarHBondContact O-CG 3.43Å; R348-E352 PolarHBondContact O-N 2.73Å; C349-E352 PolarHBondContact O-N 3.39Å; E352-H355 PolarHBondContact O-N 3.2Å; E352-R356 WeakPolarHBondContact O-CB 3.1Å; E352-R356 PolarHBondContact O-N 2.99Å
353E78.8Confident75.6Confident4 Ų457.5 Ų57.52%0.01927%0.271CS..Hα-helixtrans-68.4-39.5176.7-179.564.6-174.700112.7R296 L300 C349 V350 N351 H355 R356 L357 E411R296-E353 IonicContact CZ-OE1 2.78Å; R296-E353 IonicContact NE-OE1 2.68Å; R296-E353 PolarHBondContact NE-OE1 3.49Å; R296-E353 IonicContact NH2-OE1 3.88Å; R296-E353 PolarHBondContact NH2-OE1 2.91Å; L300-E353 HydrophobicContact CD1-CB 4.38Å; L300-E353 HydrophobicContact CD1-CG 3.57Å; L300-E353 HydrophobicContact CD2-CG 4.41Å; C349-E353 WeakPolarHBondContact O-CB 3.38Å; C349-E353 PolarHBondContact O-N 3.27Å; V350-E353 PolarHBondContact O-N 2.91Å; N351-E353 VanDerWaalsContact C-N 3.28Å; N351-E353 PolarHBondContact O-N 2.95Å; E353-H355 VanDerWaalsContact C-N 3.34Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.47Å; E353-R356 IonicContact OE1-CZ 3.92Å; E353-R356 IonicContact OE1-NE 3.55Å; E353-R356 IonicContact OE1-NH2 2.71Å; E353-R356 PolarHBondContact OE1-NH2 3.28Å; E353-R356 IonicContact OE2-CZ 3.57Å; E353-R356 IonicContact OE2-NE 3.61Å; E353-R356 PolarHBondContact OE2-NE 2.86Å; E353-R356 IonicContact OE2-NH2 3.4Å; E353-R356 PolarHBondContact OE2-NH2 3.38Å; E353-L357 HydrophobicContact CG-CD1 4.42Å; E353-L357 WeakPolarHBondContact O-CG 3.29Å; E353-L357 PolarHBondContact O-N 3.18Å; E353-E411 HydrophobicContact CB-CB 4.29Å; E353-E411 HydrophobicContact CG-CB 4.25Å
354I77.4Confident74.5Confident4 Ų462.7 Ų62.72%0.02131%0.305CS..Hα-helixtrans-58.8-47.9173-75.6168.2000110L297 L300 K301 R304 V350 N351 R356 L357 Y358L297-I354 HydrophobicContact CD1-CB 4.44Å; L297-I354 HydrophobicContact CD1-CG1 4.28Å; L297-I354 HydrophobicContact CD1-CG2 3.96Å; L300-I354 HydrophobicContact CB-CD1 4.13Å; L300-I354 HydrophobicContact CB-CG1 3.76Å; L300-I354 HydrophobicContact CD1-CG1 4.39Å; K301-I354 HydrophobicContact CG-CD1 4.33Å; R304-I354 HydrophobicContact CB-CD1 4.37Å; V350-I354 HydrophobicContact CG1-CD1 3.81Å; V350-I354 HydrophobicContact CG1-CG1 4.36Å; V350-I354 WeakPolarHBondContact O-CB 3.14Å; V350-I354 VanDerWaalsContact O-CG1 3.22Å; V350-I354 WeakPolarHBondContact O-CG1 3.17Å; V350-I354 PolarHBondContact O-N 3.04Å; N351-I354 PolarHBondContact O-N 3.33Å; I354-R356 VanDerWaalsContact C-N 3.35Å; I354-R356 PolarHBondContact O-N 3.28Å; I354-L357 PolarHBondContact O-N 3.48Å; I354-Y358 HydrophobicContact CG2-CD2 3.59Å; I354-Y358 HydrophobicContact CG2-CE2 3.49Å; I354-Y358 VanDerWaalsContact CG2-CE2 3.49Å; I354-Y358 VanDerWaalsContact O-CD2 3.23Å; I354-Y358 WeakPolarHBondContact O-CD2 3.48Å; I354-Y358 PolarHBondContact O-N 2.98Å
355H78.3Confident73.4Confident123 Ų12365 Ų6557%0.56931%0.311SS*.Hα-helixtrans-62.1-42.3176.9-73.4-61.5000111.6N351 E352 E353 L357 Y358 S359N351-H355 PolarHBondContact O-CD2 3.33Å; N351-H355 PolarHBondContact O-N 2.96Å; E352-H355 PolarHBondContact O-N 3.2Å; E353-H355 VanDerWaalsContact C-N 3.34Å; H355-L357 PolarHBondContact O-N 3.15Å; H355-Y358 PolarHBondContact O-N 3.31Å; H355-S359 PolarHBondContact O-N 2.89Å; H355-S359 PolarHBondContact O-OG 2.84Å
356R77.9Confident71.7Confident103 Ų10371.2 Ų71.239%0.38935%0.345SS..Hα-helixtrans-58.9-45.3174.8-167.7-17472.9931.9111.7E352 E353 I354 S359 L360E352-R356 WeakPolarHBondContact O-CB 3.1Å; E352-R356 PolarHBondContact O-N 2.99Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.47Å; E353-R356 IonicContact OE1-CZ 3.92Å; E353-R356 IonicContact OE1-NE 3.55Å; E353-R356 IonicContact OE1-NH2 2.71Å; E353-R356 PolarHBondContact OE1-NH2 3.28Å; E353-R356 IonicContact OE2-CZ 3.57Å; E353-R356 IonicContact OE2-NE 3.61Å; E353-R356 PolarHBondContact OE2-NE 2.86Å; E353-R356 IonicContact OE2-NH2 3.4Å; E353-R356 PolarHBondContact OE2-NH2 3.38Å; I354-R356 VanDerWaalsContact C-N 3.35Å; I354-R356 PolarHBondContact O-N 3.28Å; R356-S359 PolarHBondContact O-N 3.31Å; R356-L360 HydrophobicContact CG-CD1 4.41Å; R356-L360 WeakPolarHBondContact O-CG 3.29Å; R356-L360 PolarHBondContact O-N 3.36Å
357L74.4Confident69.5Low7 Ų773.9 Ų73.94%0.03737%0.369CS..Hα-helixtrans-66-40.2177.7-73.5173.5000112.5R296 L300 E353 I354 H355 S359 L360 L361R296-L357 HydrophobicContact CG-CD1 3.92Å; L300-L357 HydrophobicContact CD1-CD1 3.37Å; E353-L357 HydrophobicContact CG-CD1 4.42Å; E353-L357 WeakPolarHBondContact O-CG 3.29Å; E353-L357 PolarHBondContact O-N 3.18Å; I354-L357 PolarHBondContact O-N 3.48Å; H355-L357 PolarHBondContact O-N 3.15Å; L357-S359 VanDerWaalsContact C-N 3.32Å; L357-S359 PolarHBondContact O-N 2.71Å; L357-L360 HydrophobicContact CD2-CD1 4.45Å; L357-L360 PolarHBondContact O-N 2.92Å; L357-L361 WeakPolarHBondContact O-CG 3.46Å; L357-L361 PolarHBondContact O-N 2.79Å
358Y76.1Confident67.3Low94 Ų9475.3 Ų75.337%0.36939%0.393SS..Hα-helixtrans-60.1-42.6173.5-86.5-63.5000112L297 K301 I354 H355 L360 L361 R362L297-Y358 HydrophobicContact CD1-CD2 4.25Å; L297-Y358 HydrophobicContact CD1-CE2 3.91Å; L297-Y358 HydrophobicContact CD2-CD1 4.5Å; L297-Y358 HydrophobicContact CD2-CE1 3.91Å; L297-Y358 HydrophobicContact CD2-CE2 4.36Å; K301-Y358 VanDerWaalsContact CE-OH 3.26Å; K301-Y358 WeakPolarHBondContact CE-OH 3.37Å; K301-Y358 PolarHBondContact NZ-OH 3.28Å; I354-Y358 HydrophobicContact CG2-CD2 3.59Å; I354-Y358 HydrophobicContact CG2-CE2 3.49Å; I354-Y358 VanDerWaalsContact CG2-CE2 3.49Å; I354-Y358 VanDerWaalsContact O-CD2 3.23Å; I354-Y358 WeakPolarHBondContact O-CD2 3.48Å; I354-Y358 PolarHBondContact O-N 2.98Å; H355-Y358 PolarHBondContact O-N 3.31Å; Y358-L360 VanDerWaalsContact C-N 3.33Å; Y358-L360 PolarHBondContact O-N 2.89Å; Y358-L361 PolarHBondContact O-N 3.45Å; Y358-R362 PolarHBondContact O-N 2.87Å
359S74.8Confident65.5Low84 Ų8474.7 Ų74.759%0.58741%0.407SS*.Hα-helixtrans-62.4-40174.6-62.70000112H355 R356 L357 R362 G363H355-S359 PolarHBondContact O-N 2.89Å; H355-S359 PolarHBondContact O-OG 2.84Å; R356-S359 PolarHBondContact O-N 3.31Å; L357-S359 VanDerWaalsContact C-N 3.32Å; L357-S359 PolarHBondContact O-N 2.71Å; S359-R362 PolarHBondContact O-N 3.02Å; S359-G363 PolarHBondContact O-N 3.36Å
360L70.9Confident63.6Low64 Ų6483.7 Ų83.734%0.33545%0.445SS..Hα-helixtrans-70.2-28.1176.4-71.9170.7000113.8R356 L357 Y358 R362R356-L360 HydrophobicContact CG-CD1 4.41Å; R356-L360 WeakPolarHBondContact O-CG 3.29Å; R356-L360 PolarHBondContact O-N 3.36Å; L357-L360 HydrophobicContact CD2-CD1 4.45Å; L357-L360 PolarHBondContact O-N 2.92Å; Y358-L360 VanDerWaalsContact C-N 3.33Å; Y358-L360 PolarHBondContact O-N 2.89Å; L360-R362 VanDerWaalsContact C-N 3.34Å
361L69.3Low62Low57 Ų5792.8 Ų92.830%0.29849%0.485SS..Hα-helixtrans-73.6-26.9173.5-73.7169.2000112.1M290 K293 L297 L357 Y358M290-L361 HydrophobicContact CG-CD2 4.47Å; K293-L361 HydrophobicContact CB-CD2 3.97Å; K293-L361 HydrophobicContact CD-CD2 4.22Å; L297-L361 HydrophobicContact CD2-CD1 4.2Å; L357-L361 WeakPolarHBondContact O-CG 3.46Å; L357-L361 PolarHBondContact O-N 2.79Å; Y358-L361 PolarHBondContact O-N 3.45Å
362R66.3Low60.3Low194 Ų19495 Ų9573%0.73250%0.501SS*.Hα-helixtrans-86.5-21.4175.4-70.1-175.9177.1-176.9-0.7113E140 Y358 S359 L360E140-R362 IonicContact OE2-CZ 3.81Å; E140-R362 IonicContact OE2-NH1 3.93Å; E140-R362 IonicContact OE2-NH2 2.77Å; E140-R362 PolarHBondContact OE2-NH2 3.22Å; Y358-R362 PolarHBondContact O-N 2.87Å; S359-R362 PolarHBondContact O-N 3.02Å; L360-R362 VanDerWaalsContact C-N 3.34Å
363G57.9Low59.5Low31 Ų3192.6 Ų92.632%0.3250%0.499SS..SBendtrans-89.3166.6-178.900000114.3S359S359-G363 PolarHBondContact O-N 3.36Å
364P50.1Low58.8Low114 Ų11492.5 Ų92.574%0.7450%0.499SS*.  trans-56.4141.6170.124.7-31.9000110.1D366P364-D366 VanDerWaalsContact C-N 3.35Å; P364-D366 PolarHBondContact O-N 3.49Å
365I51.8Low58.5Low69 Ų6995.1 Ų95.135%0.35452%0.515SS..  trans-65.896.1176-59.1176.2000107.3A286 E289 T367A286-I365 HydrophobicContact CB-CD1 3.79Å; E289-I365 VanDerWaalsContact CD-CG2 3.41Å; E289-I365 WeakPolarHBondContact OE1-CG2 3.25Å; E289-I365 WeakPolarHBondContact OE2-CG2 3.37Å; I365-T367 VanDerWaalsContact C-N 3.33Å; I365-T367 HydrophobicContact CG2-CG2 3.83Å; I365-T367 PolarHBondContact O-N 3.27Å
366D43.4Very low58.1Low138 Ų13889.4 Ų89.474%0.73849%0.489SS*.  trans-68.796.6169-92.6-20.4000108.4P364 A368P364-D366 VanDerWaalsContact C-N 3.35Å; P364-D366 PolarHBondContact O-N 3.49Å; D366-A368 PolarHBondContact O-N 3.27Å
367T35.6Very low57.8Low125 Ų12585.7 Ų85.777%0.76748%0.477SS*.  trans-73.115.2-176.342.10000114.2I365I365-T367 VanDerWaalsContact C-N 3.33Å; I365-T367 HydrophobicContact CG2-CG2 3.83Å; I365-T367 PolarHBondContact O-N 3.27Å
368A32.1Very low57.7Low91 Ų9185.7 Ų85.775%0.75248%0.476SS*.  trans-150.470.3-172.300000114.5D366D366-A368 PolarHBondContact O-N 3.27Å
369S39.5Very low57.6Low103 Ų10384.6 Ų84.672%0.7247%0.472SS*.  trans-98.5103.215280.70000108.9K371S369-K371 PolarHBondContact O-N 2.89Å
370K40.6Very low57.5Low197 Ų19786.2 Ų86.286%0.85747%0.474SS*.  trans-57.2107.8169.2-82.6179.9176.3176.50108.2C372K370-C372 VanDerWaalsContact C-N 3.26Å; K370-C372 PolarHBondContact O-N 3.23Å
371K45.4Very low57.6Low192 Ų19283.2 Ų83.284%0.83546%0.458SS*.  trans-66.983.3172.7-72-179.1178.8177.50109.2S369S369-K371 PolarHBondContact O-N 2.89Å
372C46.3Very low57.6Low71 Ų7181.9 Ų81.948%0.4845%0.452SS..  trans-87.4103.7150.1-85.70000106.1K370 P443 F505K370-C372 VanDerWaalsContact C-N 3.26Å; K370-C372 PolarHBondContact O-N 3.23Å; C372-P443 HydrophobicContact CB-CG 3.69Å; C372-F505 HydrophobicContact CB-CE1 4.13Å
373S63.5Low57.7Low80 Ų8072.9 Ų72.956%0.55942%0.419SS*.  trans-94.8105.4176.249.20000108.9L441S373-L441 WeakPolarHBondContact CA-O 3.42Å
374G64.1Low58Low2 Ų272.6 Ų72.62%0.02141%0.411CS..EExtended strand (participates in β ladder)trans-99.9169.1169.600000111.6P439 N440 L441 F505G374-P439 CarbonylContact O-C 3.52Å; G374-N440 PolarHBondContact O-N 3.48Å; G374-L441 PolarHBondContact N-O 3.33Å; G374-L441 PolarHBondContact O-N 3.44Å; G374-F505 VanDerWaalsContact CA-CZ 3.42Å
375T69.3Low58.6Low58 Ų5867.9 Ų67.936%0.35638%0.379SS..EExtended strand (participates in β ladder)trans-120.8131.3172.4-58.90000108.2S437 V438T375-S437 WeakPolarHBondContact CG2-OG 3.35Å; T375-V438 WeakPolarHBondContact CA-O 3.41Å
376L71.9Confident58.8Low3 Ų366.6 Ų66.62%0.01637%0.373CS..EExtended strand (participates in β ladder)trans-96.5119.3168.5175.161.1000108.7M407 S437 V438 L441 V447 L476 L501L376-M407 HydrophobicContact CD2-CE 4.34Å; L376-M407 HydrophobicContact CD2-SD 4Å; L376-S437 CarbonylContact O-C 3.57Å; L376-S437 VanDerWaalsContact O-CA 3.31Å; L376-S437 WeakPolarHBondContact O-CA 3.48Å; L376-V438 PolarHBondContact N-O 2.89Å; L376-V438 PolarHBondContact O-N 3.41Å; L376-L441 HydrophobicContact CB-CD1 3.29Å; L376-V447 HydrophobicContact CD2-CB 4.12Å; L376-V447 HydrophobicContact CD2-CG1 3.99Å; L376-V447 HydrophobicContact CD2-CG2 3.97Å; L376-L476 HydrophobicContact CD1-CD1 3.52Å; L376-L476 HydrophobicContact CD1-CD2 3.89Å; L376-L476 HydrophobicContact CD1-CG 4.31Å; L376-L476 HydrophobicContact CD2-CD1 3.61Å; L376-L476 HydrophobicContact CG-CD1 4.09Å; L376-L501 HydrophobicContact CD1-CD2 4.11Å
377D71Confident58.9Low26 Ų2663.3 Ų63.314%0.13936%0.36CS..EExtended strand (participates in β ladder)trans-109.2128.7170.8-73.8-48000110.1W379 R435 S437 R502D377-W379 HydrophobicContact CB-CE3 3.77Å; D377-W379 HydrophobicContact CB-CZ3 3.52Å; D377-R435 VanDerWaalsContact CG-NH2 3.26Å; D377-R435 IonicContact OD1-CZ 3.69Å; D377-R435 IonicContact OD1-NE 3.86Å; D377-R435 PolarHBondContact OD1-NE 3.37Å; D377-R435 IonicContact OD1-NH2 2.72Å; D377-R435 IonicContact OD2-CZ 2.7Å; D377-R435 IonicContact OD2-NE 3.48Å; D377-R435 IonicContact OD2-NH2 3.11Å; D377-R435 PolarHBondContact OD2-NH2 3.44Å; D377-S437 WeakPolarHBondContact OD1-CB 3.33Å; D377-S437 PolarHBondContact OD1-OG 2.9Å; D377-R502 PolarHBondContact O-N 3.03Å
378L71.5Confident59.3Low6 Ų659.6 Ų59.63%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-125.4118.4-178.4-154.7159000108I381 M407 R435 L436 F449 I499 L501L378-I381 HydrophobicContact CD2-CD1 3.56Å; L378-I381 HydrophobicContact CD2-CG1 3.43Å; L378-I381 VanDerWaalsContact CD2-CG1 3.43Å; L378-M407 HydrophobicContact CB-CE 4.43Å; L378-M407 HydrophobicContact CB-SD 4.35Å; L378-M407 HydrophobicContact CD1-SD 3.84Å; L378-R435 CarbonylContact O-C 3.58Å; L378-R435 WeakPolarHBondContact O-CA 3.17Å; L378-L436 HydrophobicContact CB-CB 4.39Å; L378-L436 PolarHBondContact N-O 3.31Å; L378-L436 PolarHBondContact O-N 3.37Å; L378-F449 HydrophobicContact CD1-CD2 4.37Å; L378-I499 HydrophobicContact CD1-CG2 4Å; L378-I499 HydrophobicContact CD2-CG2 3.66Å; L378-I499 HydrophobicContact CG-CG2 3.67Å; L378-L501 HydrophobicContact CD1-CD2 3.71Å; L378-L501 HydrophobicContact CG-CD2 3.9Å
379W75.4Confident59.8Low72 Ų7261.8 Ų61.827%0.27333%0.334SS..EExtended strand (participates in β ladder)trans-139170.6-176.462.473.2000111.2D377 I381 R435 R502D377-W379 HydrophobicContact CB-CE3 3.77Å; D377-W379 HydrophobicContact CB-CZ3 3.52Å; W379-I381 VanDerWaalsContact C-N 3.31Å; W379-I381 PolarHBondContact O-N 2.61Å; W379-R435 HydrophobicContact CB-CB 4.49Å; W379-R435 HydrophobicContact CB-CG 4.38Å; W379-R502 HydrophobicContact CH2-CB 3.36Å; W379-R502 HydrophobicContact CH2-CG 4.11Å; W379-R502 HydrophobicContact CZ2-CB 4.11Å; W379-R502 HydrophobicContact CZ3-CB 3.91Å
380N71.6Confident60.2Low118 Ų11861.5 Ų61.563%0.63132%0.324SS*.EExtended strand (participates in β ladder)trans50.750-177.4-63.8-17.2000111.9V382N380-V382 PolarHBondContact O-N 2.84Å; N380-V382 VanDerWaalsContact O-N 3.13Å
381I72.1Confident60.6Low0 Ų054 Ų540%029%0.293CS..EExtended strand (participates in β ladder)trans-73.4110.3-178.1-45.5178.2000107.9L378 W379 I383 F432 L436 F449L378-I381 HydrophobicContact CD2-CD1 3.56Å; L378-I381 HydrophobicContact CD2-CG1 3.43Å; L378-I381 VanDerWaalsContact CD2-CG1 3.43Å; W379-I381 VanDerWaalsContact C-N 3.31Å; W379-I381 PolarHBondContact O-N 2.61Å; I381-I383 HydrophobicContact CG2-CG1 4.25Å; I381-F432 HydrophobicContact CB-CB 4.06Å; I381-F432 HydrophobicContact CB-CD2 4.1Å; I381-F432 HydrophobicContact CB-CG 4.44Å; I381-F432 HydrophobicContact CG2-CD2 4.04Å; I381-F432 PolarHBondContact O-N 2.95Å; I381-L436 HydrophobicContact CD1-CD1 3.82Å; I381-L436 HydrophobicContact CD1-CG 4.14Å; I381-F449 HydrophobicContact CD1-CE2 4.23Å; I381-F449 HydrophobicContact CG2-CZ 4.15Å
382V70.3Confident60.7Low29 Ų2948.1 Ų48.118%0.17627%0.274CS..EExtended strand (participates in β ladder)trans-118.1116.8178.9-176.60000109.3N380 P384 R429 L430 E431N380-V382 PolarHBondContact O-N 2.84Å; N380-V382 VanDerWaalsContact O-N 3.13Å; V382-P384 WeakPolarHBondContact O-CD 3.42Å; V382-R429 HydrophobicContact CG1-CB 3.93Å; V382-R429 HydrophobicContact CG1-CG 4.28Å; V382-L430 WeakPolarHBondContact CA-O 3.39Å; V382-E431 HydrophobicContact CG1-CG 4.26Å; V382-E431 HydrophobicContact CG2-CG 4.17Å
383I68.5Low60.7Low6 Ų650.8 Ų50.83%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-109.998.1178.3-50.6-174.8000107.7I381 L385 L430 F432 L451I381-I383 HydrophobicContact CG2-CG1 4.25Å; I383-L385 PolarHBondContact O-N 3.4Å; I383-L430 HydrophobicContact CB-CB 4.26Å; I383-L430 PolarHBondContact N-O 3.35Å; I383-L430 PolarHBondContact O-N 3.35Å; I383-F432 HydrophobicContact CD1-CE2 3.7Å; I383-F432 HydrophobicContact CD1-CZ 4.45Å; I383-F432 HydrophobicContact CG1-CE2 4.11Å; I383-L451 HydrophobicContact CD1-CD1 3.65Å; I383-L451 HydrophobicContact CD1-CD2 3.76Å; I383-L451 HydrophobicContact CD1-CG 4.17Å; I383-L451 HydrophobicContact CG2-CD2 4.31Å
384P63.6Low59.7Low24 Ų2450.5 Ų50.516%0.15627%0.268CS..EExtended strand (participates in β ladder)trans-62.9126.3171.126.7-34.3000109.5V382 R429 Y496V382-P384 WeakPolarHBondContact O-CD 3.42Å; P384-R429 HydrophobicContact CB-CG 4.22Å; P384-Y496 WeakPolarHBondContact CD-O 3.41Å; P384-Y496 WeakPolarHBondContact CG-O 3.28Å
385L63.4Low59Low15 Ų1551.2 Ų51.28%0.07927%0.273CS..PPolyproline II helixtrans-88.9129.1168.3-64.2172.8000106.4I383 F421 L425 K428 L430I383-L385 PolarHBondContact O-N 3.4Å; L385-F421 HydrophobicContact CD1-CD2 4.05Å; L385-F421 HydrophobicContact CD1-CE2 3.78Å; L385-L425 HydrophobicContact CD1-CD1 3.55Å; L385-K428 WeakPolarHBondContact CA-O 3.34Å; L385-K428 WeakPolarHBondContact CB-O 3.47Å; L385-K428 PolarHBondContact N-O 3.15Å; L385-L430 HydrophobicContact CD1-CD1 3.96Å; L385-L430 HydrophobicContact CD1-CD2 3.88Å; L385-L430 HydrophobicContact CD1-CG 3.6Å; L385-L430 HydrophobicContact CD2-CD1 3.92Å; L385-L430 HydrophobicContact CD2-CG 4.33Å; L385-L430 HydrophobicContact CG-CD1 4.1Å; L385-L430 HydrophobicContact CG-CG 3.93Å
386N55.2Low58Low42 Ų4258.5 Ų58.523%0.22529%0.294CS..PPolyproline II helixtrans-57.4153.2169.3-80.8-48.9000110.3L388 D493 R494N386-L388 PolarHBondContact O-N 3.18Å; N386-D493 VanDerWaalsContact CG-O 3.27Å; N386-D493 PolarHBondContact ND2-O 3.16Å; N386-R494 PolarHBondContact ND2-O 3.32Å; N386-R494 PolarHBondContact OD1-O 3.48Å
387P45.7Very low57Low70 Ų7063.6 Ų63.646%0.45532%0.318SS..  trans-65.273159.831.3-32.8000108.1N389 K428P387-N389 PolarHBondContact O-N 2.84Å; P387-K428 HydrophobicContact CB-CD 4.08Å
388L44Very low55.9Low47 Ų4766.8 Ų66.825%0.24634%0.341CS..  trans-63.898.4152.8-83.7165.6000104.1N386 D390 I391 L492N386-L388 PolarHBondContact O-N 3.18Å; L388-D390 PolarHBondContact O-N 3.16Å; L388-I391 HydrophobicContact CB-CB 3.98Å; L388-I391 HydrophobicContact CB-CD1 3.89Å; L388-I391 HydrophobicContact CB-CG1 3.61Å; L388-I391 HydrophobicContact CD1-CD1 3.22Å; L388-I391 HydrophobicContact CD1-CG1 3.56Å; L388-I391 HydrophobicContact CG-CD1 4.17Å; L388-I391 HydrophobicContact CG-CG1 4.22Å; L388-I391 PolarHBondContact O-N 2.96Å; L388-L492 HydrophobicContact CD1-CD2 3.28Å; L388-L492 HydrophobicContact CD1-CG 3.8Å; L388-L492 HydrophobicContact CG-CD2 4.26Å
389N42Very low55.2Low137 Ų13768.6 Ų68.673%0.73335%0.349SS*.THydrogen-bonded Turntrans-48.1-19.5165-75.6-22.9000110.8P387P387-N389 PolarHBondContact O-N 2.84Å
390D49.3Very low54.6Low97 Ų9767.9 Ų67.952%0.51935%0.348SS..THydrogen-bonded Turntrans-90.2-24.4174.6-69.3-37.9000116.6L388 K393 M394L388-D390 PolarHBondContact O-N 3.16Å; D390-K393 PolarHBondContact O-N 3.21Å; D390-M394 VanDerWaalsContact O-CB 3.23Å; D390-M394 WeakPolarHBondContact O-CB 3.34Å; D390-M394 WeakPolarHBondContact O-CG 2.95Å; D390-M394 PolarHBondContact O-N 2.98Å
391I48.6Very low54.5Low38 Ų3863.7 Ų63.720%0.19532%0.323CS..Hα-helixtrans-71-40.6178.7-72.9176.3000110.3L388 K393 M394 A395 F421L388-I391 HydrophobicContact CB-CB 3.98Å; L388-I391 HydrophobicContact CB-CD1 3.89Å; L388-I391 HydrophobicContact CB-CG1 3.61Å; L388-I391 HydrophobicContact CD1-CD1 3.22Å; L388-I391 HydrophobicContact CD1-CG1 3.56Å; L388-I391 HydrophobicContact CG-CD1 4.17Å; L388-I391 HydrophobicContact CG-CG1 4.22Å; L388-I391 PolarHBondContact O-N 2.96Å; I391-K393 PolarHBondContact O-N 2.63Å; I391-M394 PolarHBondContact O-N 3.34Å; I391-A395 WeakPolarHBondContact O-CB 3.47Å; I391-A395 PolarHBondContact O-N 3.49Å; I391-F421 HydrophobicContact CG2-CD2 4.33Å; I391-F421 HydrophobicContact CG2-CE1 4.15Å; I391-F421 HydrophobicContact CG2-CE2 3.53Å; I391-F421 HydrophobicContact CG2-CZ 3.44Å; I391-F421 VanDerWaalsContact CG2-CZ 3.44Å
392T46.6Very low54.7Low70 Ų7063.7 Ų63.743%0.42932%0.323SS..Hα-helixtrans-65.4-28.5174.334.70000112R396T392-R396 WeakPolarHBondContact O-CD 3.26Å; T392-R396 WeakPolarHBondContact O-CG 3.35Å; T392-R396 PolarHBondContact O-N 3.38Å
393K46.1Very low55.1Low126 Ų12662.9 Ų62.955%0.54832%0.318SS..Hα-helixtrans-74.7-46.9173.4-159.3177.9178.7-173.50111.5D390 I391 R396 E397D390-K393 PolarHBondContact O-N 3.21Å; I391-K393 PolarHBondContact O-N 2.63Å; K393-R396 WeakPolarHBondContact O-CB 3.26Å; K393-R396 PolarHBondContact O-N 3.24Å; K393-E397 WeakPolarHBondContact O-CG 3.39Å; K393-E397 PolarHBondContact O-N 3.49Å
394M43.6Very low55.8Low75 Ų7562.7 Ų62.737%0.36932%0.316SS..Hα-helixtrans-68.9-32.3178-72.3-115-8900113.6D390 I391 E397 K399D390-M394 VanDerWaalsContact O-CB 3.23Å; D390-M394 WeakPolarHBondContact O-CB 3.34Å; D390-M394 WeakPolarHBondContact O-CG 2.95Å; D390-M394 PolarHBondContact O-N 2.98Å; I391-M394 PolarHBondContact O-N 3.34Å; M394-E397 PolarHBondContact O-N 3.25Å; M394-K399 WeakPolarHBondContact O-CB 3.29Å; M394-K399 PolarHBondContact SD-NZ 3.41Å
395A48.8Very low56.7Low16 Ų1661.5 Ų61.513%0.13231%0.309CS..Hα-helixtrans-71.1-32.8173.700000111.5I391 E397 Y401 F421I391-A395 WeakPolarHBondContact O-CB 3.47Å; I391-A395 PolarHBondContact O-N 3.49Å; A395-E397 VanDerWaalsContact C-N 3.27Å; A395-E397 PolarHBondContact O-N 3.48Å; A395-Y401 HydrophobicContact CB-CD2 4.41Å; A395-Y401 HydrophobicContact CB-CE2 4.4Å; A395-F421 HydrophobicContact CB-CD1 4.07Å; A395-F421 HydrophobicContact CB-CE1 3.87Å
396R48Very low57.6Low212 Ų21260.8 Ų60.880%0.831%0.305SS*.Hα-helixtrans-67.4-27.8172.2-76.4172.5-170.4-173.84.2112.4T392 K393 C398T392-R396 WeakPolarHBondContact O-CD 3.26Å; T392-R396 WeakPolarHBondContact O-CG 3.35Å; T392-R396 PolarHBondContact O-N 3.38Å; K393-R396 WeakPolarHBondContact O-CB 3.26Å; K393-R396 PolarHBondContact O-N 3.24Å; R396-C398 PolarHBondContact O-N 3.05Å
397E50.8Low58.9Low109 Ų10958.9 Ų58.951%0.50930%0.295SS..THydrogen-bonded Turntrans-79.336.6178.7-69.1172.7-174.800113.6K393 M394 A395 K399K393-E397 WeakPolarHBondContact O-CG 3.39Å; K393-E397 PolarHBondContact O-N 3.49Å; M394-E397 PolarHBondContact O-N 3.25Å; A395-E397 VanDerWaalsContact C-N 3.27Å; A395-E397 PolarHBondContact O-N 3.48Å; E397-K399 VanDerWaalsContact C-N 3.34Å; E397-K399 PolarHBondContact O-N 2.91Å
398C47.9Very low60.6Low94 Ų9456.1 Ų56.164%0.63528%0.276SS*.THydrogen-bonded Turntrans68.620.3174.7-52.40000115.8R396 P458R396-C398 PolarHBondContact O-N 3.05Å; C398-P458 HydrophobicContact CB-CB 4.38Å; C398-P458 HydrophobicContact CB-CG 3.53Å; C398-P458 WeakPolarHBondContact O-CD 3.37Å; C398-P458 WeakPolarHBondContact O-CG 3.41Å
399K57.8Low62.2Low43 Ų4354.7 Ų54.719%0.18727%0.267CS..  trans-95.5113.9176.4-58.5-177.6-172.3170.80111M394 E397 Y401 V455 L457M394-K399 WeakPolarHBondContact O-CB 3.29Å; M394-K399 PolarHBondContact SD-NZ 3.41Å; E397-K399 VanDerWaalsContact C-N 3.34Å; E397-K399 PolarHBondContact O-N 2.91Å; K399-Y401 HydrophobicContact CB-CD2 4.24Å; K399-Y401 HydrophobicContact CB-CE2 3.59Å; K399-Y401 HydrophobicContact CD-CE2 4.48Å; K399-Y401 WeakPolarHBondContact O-CD2 3.34Å; K399-V455 HydrophobicContact CB-CG1 4.37Å; K399-L457 HydrophobicContact CD-CD2 3.77Å; K399-L457 HydrophobicContact CG-CD2 3.97Å
400K63.3Low64Low57 Ų5751.9 Ų51.925%0.24825%0.25CC..EExtended strand (participates in β ladder)trans-84.5117.5169.6-67.9-164.5178.8-179.90109.6L330 I334 N456L330-K400 HydrophobicContact CB-CD 4.12Å; L330-K400 HydrophobicContact CD1-CD 4.38Å; L330-K400 HydrophobicContact CD2-CD 3.81Å; L330-K400 HydrophobicContact CD2-CG 4.23Å; L330-K400 HydrophobicContact CG-CD 4.32Å; I334-K400 HydrophobicContact CD1-CB 4.34Å; K400-N456 HydrophobicContact CB-CB 4.47Å; K400-N456 PolarHBondContact N-O 2.81Å; K400-N456 PolarHBondContact O-N 2.89Å
401Y69.5Low65.5Low30 Ų3049.2 Ų49.212%0.11823%0.234CC..EExtended strand (participates in β ladder)trans-98134.9172.9-66.9-92.8000110A395 K399 F421 V453 M454 V455A395-Y401 HydrophobicContact CB-CD2 4.41Å; A395-Y401 HydrophobicContact CB-CE2 4.4Å; K399-Y401 HydrophobicContact CB-CD2 4.24Å; K399-Y401 HydrophobicContact CB-CE2 3.59Å; K399-Y401 HydrophobicContact CD-CE2 4.48Å; K399-Y401 WeakPolarHBondContact O-CD2 3.34Å; Y401-F421 PolarHBondContact O-N 3.03Å; Y401-V453 HydrophobicContact CD1-CG1 4.15Å; Y401-M454 CarbonylContact C-O 3.59Å; Y401-M454 WeakPolarHBondContact CA-O 3.5Å; Y401-V455 HydrophobicContact CD1-CB 4.46Å; Y401-V455 HydrophobicContact CD1-CG1 4.31Å; Y401-V455 HydrophobicContact CD1-CG2 3.65Å; Y401-V455 HydrophobicContact CE1-CB 4.34Å; Y401-V455 HydrophobicContact CE1-CG1 3.92Å; Y401-V455 HydrophobicContact CE1-CG2 3.52Å
402A75.1Confident67.1Low0 Ų049.4 Ų49.40%024%0.237CC..EExtended strand (participates in β ladder)trans-132146.5172.900000110.9I334 V418 I419 Y420 V453 M454I334-A402 HydrophobicContact CD1-CB 4.17Å; I334-A402 HydrophobicContact CG2-CB 3.51Å; A402-V418 HydrophobicContact CB-CG1 3.79Å; A402-I419 CarbonylContact C-O 3.54Å; A402-I419 WeakPolarHBondContact CA-O 3.23Å; A402-Y420 HydrophobicContact CB-CD1 4.11Å; A402-Y420 HydrophobicContact CB-CE1 4.27Å; A402-V453 CarbonylContact O-C 3.58Å; A402-V453 WeakPolarHBondContact O-CA 3.5Å; A402-M454 HydrophobicContact CB-CB 4.34Å; A402-M454 HydrophobicContact CB-CE 4.07Å; A402-M454 PolarHBondContact N-O 2.94Å; A402-M454 PolarHBondContact O-N 2.51Å
403F79.6Confident69Low13 Ų1346.4 Ų46.46%0.05722%0.218CC..EExtended strand (participates in β ladder)trans-126.5143.5-173.6-58.6-91.8000110.3V418 I419 F421 L430 F432 L451 Y452 V453F403-V418 CarbonylContact O-C 3.5Å; F403-V418 WeakPolarHBondContact O-CA 3.49Å; F403-I419 PolarHBondContact N-O 3.19Å; F403-I419 PolarHBondContact O-N 3.42Å; F403-F421 HydrophobicContact CE2-CB 4.01Å; F403-F421 HydrophobicContact CE2-CD2 4.02Å; F403-F421 HydrophobicContact CZ-CD2 4.38Å; F403-L430 HydrophobicContact CB-CD1 4.1Å; F403-L430 HydrophobicContact CD1-CD1 3.57Å; F403-L430 HydrophobicContact CD2-CD1 3.63Å; F403-L430 HydrophobicContact CD2-CD2 3.83Å; F403-L430 HydrophobicContact CD2-CG 4.4Å; F403-L430 HydrophobicContact CE1-CD1 3.81Å; F403-L430 HydrophobicContact CE2-CD1 3.86Å; F403-L430 HydrophobicContact CE2-CD2 3.97Å; F403-L430 HydrophobicContact CG-CD1 3.48Å; F403-L430 VanDerWaalsContact CG-CD1 3.48Å; F403-L430 HydrophobicContact CG-CD2 4.47Å; F403-L430 HydrophobicContact CZ-CD1 3.95Å; F403-F432 HydrophobicContact CB-CZ 4.03Å; F403-L451 HydrophobicContact CB-CD1 4.36Å; F403-L451 HydrophobicContact CD1-CD1 4.48Å; F403-Y452 WeakPolarHBondContact CA-O 3.19Å; F403-V453 HydrophobicContact CD1-CB 4.34Å; F403-V453 HydrophobicContact CD1-CG1 4.16Å; F403-V453 HydrophobicContact CD1-CG2 3.74Å; F403-V453 HydrophobicContact CE1-CB 4.24Å; F403-V453 HydrophobicContact CE1-CG1 3.73Å; F403-V453 HydrophobicContact CE1-CG2 3.63Å; F403-V453 HydrophobicContact CZ-CG1 4.22Å
404I82.2Confident70.9Confident1 Ų141.8 Ų41.81%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-145137.2173-174.4170.7000109.6A338 I342 W415 V418 Y452 M454A338-I404 HydrophobicContact CB-CD1 4.23Å; I342-I404 HydrophobicContact CD1-CD1 3.88Å; I342-I404 HydrophobicContact CG1-CD1 4.25Å; I404-W415 HydrophobicContact CD1-CB 4.2Å; I404-W415 HydrophobicContact CD1-CG 4.43Å; I404-W415 HydrophobicContact CG1-CB 4.48Å; I404-V418 HydrophobicContact CD1-CG2 4.16Å; I404-Y452 HydrophobicContact CG2-CD2 4.46Å; I404-Y452 PolarHBondContact N-O 2.72Å; I404-Y452 PolarHBondContact O-N 2.9Å; I404-M454 HydrophobicContact CG2-CE 4.12Å
405C83Confident73.1Confident0 Ų042.3 Ų42.30%020%0.199CC..EExtended strand (participates in β ladder)trans-97.2139.9172.4-64.50000109.5W415 S416 F432 L436 F449 S450C405-W415 CarbonylContact O-C 3.6Å; C405-W415 WeakPolarHBondContact O-CA 3.22Å; C405-W415 WeakPolarHBondContact O-CB 3.48Å; C405-S416 PolarHBondContact N-OG 2.82Å; C405-S416 PolarHBondContact O-N 2.81Å; C405-F432 WeakPolarHBondContact SG-CE2 3.42Å; C405-F432 WeakPolarHBondContact SG-CZ 3.37Å; C405-L436 HydrophobicContact CB-CD1 4.45Å; C405-F449 HydrophobicContact CB-CE2 3.82Å; C405-F449 HydrophobicContact CB-CZ 3.72Å; C405-S450 CarbonylContact C-O 3.49Å; C405-S450 WeakPolarHBondContact CA-O 3.4Å
406V81.8Confident75Confident0 Ų041.8 Ų41.80%019%0.194CC..EExtended strand (participates in β ladder)trans-132.6132.7177.4-176.90000108.6L341 K408 V413 V414 W415 F449 S450 Y452L341-V406 HydrophobicContact CD2-CG2 4.11Å; V406-K408 HydrophobicContact CG1-CD 4.48Å; V406-K408 HydrophobicContact CG1-CG 3.98Å; V406-V413 HydrophobicContact CG1-CG1 3.58Å; V406-V414 CarbonylContact C-O 3.57Å; V406-V414 WeakPolarHBondContact CA-O 3.34Å; V406-W415 HydrophobicContact CG2-CB 4.16Å; V406-F449 CarbonylContact O-C 3.55Å; V406-F449 WeakPolarHBondContact O-CA 3.44Å; V406-S450 PolarHBondContact N-O 3.39Å; V406-S450 PolarHBondContact O-N 2.95Å; V406-Y452 HydrophobicContact CB-CD2 4.37Å; V406-Y452 HydrophobicContact CB-CE2 3.88Å; V406-Y452 HydrophobicContact CG2-CD2 3.78Å; V406-Y452 HydrophobicContact CG2-CE2 3.64Å
407M82.1Confident76.9Confident1 Ų134.3 Ų34.31%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-119133.3175.3-171.2165.277.300109.2L376 L378 V413 V414 L436 V438 V447 Q448 F449L376-M407 HydrophobicContact CD2-CE 4.34Å; L376-M407 HydrophobicContact CD2-SD 4Å; L378-M407 HydrophobicContact CB-CE 4.43Å; L378-M407 HydrophobicContact CB-SD 4.35Å; L378-M407 HydrophobicContact CD1-SD 3.84Å; M407-V413 WeakPolarHBondContact O-CA 3.3Å; M407-V414 HydrophobicContact CB-CG2 3.7Å; M407-V414 HydrophobicContact CE-CG2 3.93Å; M407-V414 HydrophobicContact CG-CG2 4.44Å; M407-V414 PolarHBondContact N-O 2.89Å; M407-V414 PolarHBondContact O-N 2.89Å; M407-L436 HydrophobicContact CB-CD1 4.25Å; M407-L436 HydrophobicContact CE-CB 3.82Å; M407-V438 HydrophobicContact CE-CB 4.06Å; M407-V438 HydrophobicContact CE-CG2 3.39Å; M407-V438 HydrophobicContact CG-CG2 4.19Å; M407-V438 HydrophobicContact SD-CG2 4.49Å; M407-V447 HydrophobicContact CG-CG1 3.23Å; M407-V447 HydrophobicContact SD-CG1 3.72Å; M407-Q448 CarbonylContact C-O 3.45Å; M407-Q448 VanDerWaalsContact CA-O 3.29Å; M407-Q448 WeakPolarHBondContact CA-O 3.44Å; M407-F449 HydrophobicContact CB-CD2 4.46Å
408K82.3Confident78.5Confident12 Ų1230.9 Ų30.95%0.05216%0.155CC..EExtended strand (participates in β ladder)trans-132.3140.1-171.7-50.8177.2-159.9158.30111.2E345 V406 T412 V413 Q448 Y452E345-K408 HydrophobicContact CB-CD 4.49Å; E345-K408 IonicContact OE1-NZ 3.5Å; E345-K408 VanDerWaalsContact OE2-CE 3.29Å; E345-K408 WeakPolarHBondContact OE2-CE 3.39Å; E345-K408 IonicContact OE2-NZ 2.6Å; E345-K408 PolarHBondContact OE2-NZ 3.11Å; V406-K408 HydrophobicContact CG1-CD 4.48Å; V406-K408 HydrophobicContact CG1-CG 3.98Å; K408-T412 WeakPolarHBondContact CA-O 3.44Å; K408-V413 HydrophobicContact CG-CG1 4.25Å; K408-V413 HydrophobicContact CG-CG2 4.17Å; K408-Q448 HydrophobicContact CB-CB 4.43Å; K408-Q448 PolarHBondContact N-O 2.86Å; K408-Q448 PolarHBondContact O-N 2.7Å; K408-Y452 PolarHBondContact NZ-OH 3.45Å; K408-Y452 VanDerWaalsContact NZ-OH 3.12Å
409Y77.4Confident80Confident17 Ų1726.4 Ų26.47%0.06713%0.125CC..EExtended strand (participates in β ladder)trans-156.4120172.4175.1-103.1000108.9E411 T412 V438 L441 S442 H445 L446 V447Y409-E411 PolarHBondContact O-N 2.78Å; Y409-T412 PolarHBondContact N-O 2.91Å; Y409-T412 WeakPolarHBondContact O-CA 3.5Å; Y409-T412 VanDerWaalsContact O-CB 3.3Å; Y409-T412 WeakPolarHBondContact O-CB 3.44Å; Y409-T412 PolarHBondContact O-N 3.32Å; Y409-V438 HydrophobicContact CD1-CG1 4Å; Y409-V438 HydrophobicContact CG-CG1 4.13Å; Y409-L441 HydrophobicContact CD1-CD2 3.5Å; Y409-L441 VanDerWaalsContact CD1-CD2 3.5Å; Y409-L441 HydrophobicContact CD2-CD2 3.75Å; Y409-L441 HydrophobicContact CE1-CD2 3.61Å; Y409-L441 HydrophobicContact CE2-CD2 3.86Å; Y409-L441 HydrophobicContact CG-CD2 3.55Å; Y409-S442 PolarHBondContact OH-N 2.8Å; Y409-S442 PolarHBondContact OH-OG 3.4Å; Y409-H445 HydrophobicContact CD2-CB 4.28Å; Y409-H445 HydrophobicContact CE2-CB 3.58Å; Y409-L446 WeakPolarHBondContact CD2-O 3.39Å; Y409-V447 HydrophobicContact CD2-CG2 4.14Å; Y409-V447 HydrophobicContact CG-CG2 4.35Å
410Q79.5Confident80.9Confident78 Ų7826.1 Ų26.136%0.36412%0.122SC..THydrogen-bonded Turntrans50-130.9-174-56.6179.2-19.300110.6C349 T412C349-Q410 WeakPolarHBondContact CB-O 3.39Å; Q410-T412 PolarHBondContact O-N 3.15Å
411E81.2Confident81.3Confident42 Ų4224.3 Ų24.320%0.19612%0.115CC..THydrogen-bonded Turntrans-70.9-12.9174.568.1-86.7-16000114.5R296 L300 V350 E353 Y409R296-E411 IonicContact CZ-OE1 3.27Å; R296-E411 IonicContact NH1-OE1 3.44Å; R296-E411 VanDerWaalsContact NH2-CD 3.27Å; R296-E411 IonicContact NH2-OE1 2.63Å; R296-E411 PolarHBondContact NH2-OE1 3.11Å; R296-E411 IonicContact NH2-OE2 3.51Å; R296-E411 PolarHBondContact NH2-OE2 2.89Å; R296-E411 VanDerWaalsContact NH2-OE2 3.11Å; L300-E411 HydrophobicContact CD2-CB 3.85Å; L300-E411 HydrophobicContact CD2-CG 4.19Å; V350-E411 HydrophobicContact CG2-CB 4.46Å; E353-E411 HydrophobicContact CB-CB 4.29Å; E353-E411 HydrophobicContact CG-CB 4.25Å; Y409-E411 PolarHBondContact O-N 2.78Å
412T82.5Confident81.1Confident42 Ų4228.4 Ų28.426%0.25814%0.135SC..EExtended strand (participates in β ladder)trans-85.7123.5-172.6-58.20000111K408 Y409 Q410 V414 V438K408-T412 WeakPolarHBondContact CA-O 3.44Å; Y409-T412 PolarHBondContact N-O 2.91Å; Y409-T412 WeakPolarHBondContact O-CA 3.5Å; Y409-T412 VanDerWaalsContact O-CB 3.3Å; Y409-T412 WeakPolarHBondContact O-CB 3.44Å; Y409-T412 PolarHBondContact O-N 3.32Å; Q410-T412 PolarHBondContact O-N 3.15Å; T412-V414 HydrophobicContact CG2-CG1 4.24Å; T412-V438 HydrophobicContact CG2-CG1 4.48Å; T412-V438 HydrophobicContact CG2-CG2 4.39Å
413V86.3Confident80.3Confident6 Ų637.2 Ų37.24%0.03617%0.168CC..EExtended strand (participates in β ladder)trans-126.6121.6172.6-177.80000109.1E345 R346 C349 V406 M407 K408 W415E345-V413 HydrophobicContact CB-CG1 4.27Å; R346-V413 HydrophobicContact CB-CG2 4.5Å; R346-V413 HydrophobicContact CG-CB 3.68Å; R346-V413 HydrophobicContact CG-CG1 4.21Å; R346-V413 HydrophobicContact CG-CG2 3.85Å; C349-V413 HydrophobicContact CB-CG2 3.87Å; V406-V413 HydrophobicContact CG1-CG1 3.58Å; M407-V413 WeakPolarHBondContact O-CA 3.3Å; K408-V413 HydrophobicContact CG-CG1 4.25Å; K408-V413 HydrophobicContact CG-CG2 4.17Å; V413-W415 WeakPolarHBondContact O-CZ3 3.41Å
414V86.3Confident79.2Confident30 Ų3038.9 Ų38.918%0.18218%0.175CC..EExtended strand (participates in β ladder)trans-120.1151.4173.3-59.20000110.2V406 M407 T412 L436 S437 V438V406-V414 CarbonylContact C-O 3.57Å; V406-V414 WeakPolarHBondContact CA-O 3.34Å; M407-V414 HydrophobicContact CB-CG2 3.7Å; M407-V414 HydrophobicContact CE-CG2 3.93Å; M407-V414 HydrophobicContact CG-CG2 4.44Å; M407-V414 PolarHBondContact N-O 2.89Å; M407-V414 PolarHBondContact O-N 2.89Å; T412-V414 HydrophobicContact CG2-CG1 4.24Å; V414-L436 HydrophobicContact CG2-CB 3.99Å; V414-L436 HydrophobicContact CG2-CD2 4.49Å; V414-S437 WeakPolarHBondContact CG1-O 3.34Å; V414-V438 HydrophobicContact CG2-CG2 3.89Å
415W90.3Very high78.1Confident86 Ų8642 Ų4233%0.32619%0.192SC..EExtended strand (participates in β ladder)trans-146.1158.2-173.961.791000112.1I342 R346 I404 C405 V406 V413 L436I342-W415 HydrophobicContact CD1-CB 4.4Å; I342-W415 VanDerWaalsContact CD1-CD1 3.47Å; I342-W415 HydrophobicContact CD1-CD2 3.79Å; I342-W415 HydrophobicContact CD1-CG 3.63Å; I342-W415 HydrophobicContact CG1-CB 4.32Å; I342-W415 HydrophobicContact CG1-CD2 4.03Å; I342-W415 HydrophobicContact CG1-CE3 4.44Å; I342-W415 HydrophobicContact CG1-CG 3.94Å; I342-W415 HydrophobicContact CG2-CD2 3.81Å; I342-W415 HydrophobicContact CG2-CE3 3.5Å; I342-W415 HydrophobicContact CG2-CH2 3.93Å; I342-W415 HydrophobicContact CG2-CZ2 4.2Å; I342-W415 HydrophobicContact CG2-CZ3 3.57Å; R346-W415 VanDerWaalsContact CZ-CH2 3.47Å; R346-W415 VanDerWaalsContact CZ-CZ3 3.42Å; I404-W415 HydrophobicContact CD1-CB 4.2Å; I404-W415 HydrophobicContact CD1-CG 4.43Å; I404-W415 HydrophobicContact CG1-CB 4.48Å; C405-W415 CarbonylContact O-C 3.6Å; C405-W415 WeakPolarHBondContact O-CA 3.22Å; C405-W415 WeakPolarHBondContact O-CB 3.48Å; V406-W415 HydrophobicContact CG2-CB 4.16Å; V413-W415 WeakPolarHBondContact O-CZ3 3.41Å; W415-L436 VanDerWaalsContact O-CD2 3.23Å; W415-L436 WeakPolarHBondContact O-CD2 3.49Å
416S88.6Confident76.7Confident4 Ų448 Ų483%0.02822%0.218CC..  trans-84.4174.4176.671.80000112.3C405 F432C405-S416 PolarHBondContact N-OG 2.82Å; C405-S416 PolarHBondContact O-N 2.81Å; S416-F432 WeakPolarHBondContact OG-CD1 3.32Å; S416-F432 VanDerWaalsContact OG-CE1 3.29Å; S416-F432 WeakPolarHBondContact OG-CE1 3.23Å
417E87.8Confident75.5Confident55 Ų5555.3 Ų55.326%0.25726%0.257SS..PPolyproline II helixtrans-60.3158.2161.578.5-81.5-157.300111.6I419 K424 F432 Q433 A434E417-I419 HydrophobicContact CG-CG1 4.06Å; E417-K424 IonicContact OE1-NZ 2.8Å; E417-K424 PolarHBondContact OE1-NZ 2.8Å; E417-F432 WeakPolarHBondContact OE1-CA 3.27Å; E417-Q433 PolarHBondContact OE1-N 3.19Å; E417-A434 VanDerWaalsContact OE2-CB 3.27Å; E417-A434 WeakPolarHBondContact OE2-CB 3.23Å; E417-A434 PolarHBondContact OE2-N 3.24Å
418V84.2Confident74.7Confident37 Ų3760.9 Ų60.922%0.22428%0.281CS..PPolyproline II helixtrans-81.2119.6169.91800000109.1I334 A338 A402 F403 I404 Y420 M454I334-V418 HydrophobicContact CG2-CG1 3.85Å; A338-V418 HydrophobicContact CB-CG2 3.48Å; A338-V418 VanDerWaalsContact CB-CG2 3.48Å; A402-V418 HydrophobicContact CB-CG1 3.79Å; F403-V418 CarbonylContact O-C 3.5Å; F403-V418 WeakPolarHBondContact O-CA 3.49Å; I404-V418 HydrophobicContact CD1-CG2 4.16Å; V418-Y420 HydrophobicContact CG1-CE2 4.33Å; V418-M454 HydrophobicContact CG1-CE 3.94Å; V418-M454 HydrophobicContact CG2-CE 4.38Å
419I79.4Confident74Confident1 Ų166.4 Ų66.41%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-98.6123.8176.9-63-173.4000110A402 F403 E417 K424 L430 E431 F432A402-I419 CarbonylContact C-O 3.54Å; A402-I419 WeakPolarHBondContact CA-O 3.23Å; F403-I419 PolarHBondContact N-O 3.19Å; F403-I419 PolarHBondContact O-N 3.42Å; E417-I419 HydrophobicContact CG-CG1 4.06Å; I419-K424 HydrophobicContact CD1-CD 4.18Å; I419-K424 HydrophobicContact CG1-CD 4.11Å; I419-K424 HydrophobicContact CG2-CB 3.76Å; I419-K424 HydrophobicContact CG2-CD 4.09Å; I419-K424 HydrophobicContact CG2-CG 4.34Å; I419-L430 HydrophobicContact CG2-CD2 4.06Å; I419-E431 WeakPolarHBondContact CD1-O 3.16Å; I419-F432 HydrophobicContact CB-CE1 4.25Å; I419-F432 HydrophobicContact CD1-CB 4.11Å; I419-F432 HydrophobicContact CD1-CD1 3.26Å; I419-F432 HydrophobicContact CD1-CD2 3.89Å; I419-F432 HydrophobicContact CD1-CE1 3.49Å; I419-F432 VanDerWaalsContact CD1-CE1 3.49Å; I419-F432 HydrophobicContact CD1-CE2 4.06Å; I419-F432 HydrophobicContact CD1-CG 3.48Å; I419-F432 VanDerWaalsContact CD1-CG 3.48Å; I419-F432 HydrophobicContact CD1-CZ 3.89Å; I419-F432 HydrophobicContact CG1-CD1 3.71Å; I419-F432 HydrophobicContact CG1-CE1 3.7Å; I419-F432 HydrophobicContact CG1-CG 4.41Å; I419-F432 HydrophobicContact CG1-CZ 4.37Å
420Y76.2Confident73.7Confident36 Ų3665.6 Ų65.614%0.14130%0.298CS..EExtended strand (participates in β ladder)trans-86.3131.7170.6-62.4-91.8000109.8T331 I334 A402 V418 E422 R423 K424T331-Y420 HydrophobicContact CG2-CE1 4.16Å; T331-Y420 PolarHBondContact O-OH 2.87Å; I334-Y420 HydrophobicContact CB-CE1 4.06Å; I334-Y420 HydrophobicContact CD1-CD1 4.19Å; I334-Y420 HydrophobicContact CD1-CE1 3.62Å; I334-Y420 HydrophobicContact CG1-CE1 4.43Å; I334-Y420 HydrophobicContact CG2-CE1 3.78Å; A402-Y420 HydrophobicContact CB-CD1 4.11Å; A402-Y420 HydrophobicContact CB-CE1 4.27Å; V418-Y420 HydrophobicContact CG1-CE2 4.33Å; Y420-E422 PolarHBondContact O-N 3.18Å; Y420-E422 VanDerWaalsContact O-N 3.16Å; Y420-R423 PolarHBondContact O-N 3.48Å; Y420-K424 PolarHBondContact O-N 2.7Å
421F71.2Confident73.4Confident20 Ų2065.6 Ų65.69%0.08830%0.299CS..Hα-helixtrans-51.1-40.9177.8-176-95.3000112.3L385 I391 A395 Y401 F403 R423 L425L385-F421 HydrophobicContact CD1-CD2 4.05Å; L385-F421 HydrophobicContact CD1-CE2 3.78Å; I391-F421 HydrophobicContact CG2-CD2 4.33Å; I391-F421 HydrophobicContact CG2-CE1 4.15Å; I391-F421 HydrophobicContact CG2-CE2 3.53Å; I391-F421 HydrophobicContact CG2-CZ 3.44Å; I391-F421 VanDerWaalsContact CG2-CZ 3.44Å; A395-F421 HydrophobicContact CB-CD1 4.07Å; A395-F421 HydrophobicContact CB-CE1 3.87Å; Y401-F421 PolarHBondContact O-N 3.03Å; F403-F421 HydrophobicContact CE2-CB 4.01Å; F403-F421 HydrophobicContact CE2-CD2 4.02Å; F403-F421 HydrophobicContact CZ-CD2 4.38Å; F421-R423 VanDerWaalsContact C-N 3.28Å; F421-R423 PolarHBondContact O-N 3.06Å; F421-L425 HydrophobicContact CD2-CD1 4.01Å; F421-L425 HydrophobicContact CE2-CD1 3.58Å; F421-L425 HydrophobicContact CZ-CD1 4.01Å; F421-L425 HydrophobicContact CZ-CD2 4.32Å
422E65.1Low73.2Confident115 Ų11563.9 Ų63.954%0.53729%0.291SS..Hα-helixtrans-67-22-178.3-64.1174.7175.200114.2Y420Y420-E422 PolarHBondContact O-N 3.18Å; Y420-E422 VanDerWaalsContact O-N 3.16Å
423R58.9Low73.1Confident186 Ų18669.7 Ų69.770%0.70232%0.315SS*.Hα-helixtrans-108.8-23.5-167.4-70.5-172.8177-174.6-1.3115.5Y420 F421Y420-R423 PolarHBondContact O-N 3.48Å; F421-R423 VanDerWaalsContact C-N 3.28Å; F421-R423 PolarHBondContact O-N 3.06Å
424K57.2Low72.7Confident48 Ų4870.5 Ų70.521%0.20932%0.322CS..Hα-helixtrans-13426.1-173.3-68.1-171.3166.6-168.10113.8E417 I419 Y420 F426 Q433E417-K424 IonicContact OE1-NZ 2.8Å; E417-K424 PolarHBondContact OE1-NZ 2.8Å; I419-K424 HydrophobicContact CD1-CD 4.18Å; I419-K424 HydrophobicContact CG1-CD 4.11Å; I419-K424 HydrophobicContact CG2-CB 3.76Å; I419-K424 HydrophobicContact CG2-CD 4.09Å; I419-K424 HydrophobicContact CG2-CG 4.34Å; Y420-K424 PolarHBondContact O-N 2.7Å; K424-F426 PolarHBondContact O-N 2.92Å; K424-F426 VanDerWaalsContact O-N 3.08Å; K424-Q433 VanDerWaalsContact NZ-OE1 3.15Å
425L58.1Low72.3Confident66 Ų6676.7 Ų76.735%0.34634%0.342SS..EExtended strand (participates in β ladder)trans-78.590.5171.8-16092.7000109.8L385 F421L385-L425 HydrophobicContact CD1-CD1 3.55Å; F421-L425 HydrophobicContact CD2-CD1 4.01Å; F421-L425 HydrophobicContact CE2-CD1 3.58Å; F421-L425 HydrophobicContact CZ-CD1 4.01Å; F421-L425 HydrophobicContact CZ-CD2 4.32Å
426F53.4Low71.8Confident126 Ų12672.8 Ų72.855%0.55333%0.327SS*.EExtended strand (participates in β ladder)trans-93.9119.3169.5-73.3-84.5000108.6K424 K428 R429K424-F426 PolarHBondContact O-N 2.92Å; K424-F426 VanDerWaalsContact O-N 3.08Å; F426-K428 VanDerWaalsContact C-N 3.29Å; F426-K428 PolarHBondContact O-N 3Å; F426-K428 VanDerWaalsContact O-N 3.11Å; F426-R429 PolarHBondContact N-O 3.37Å; F426-R429 WeakPolarHBondContact O-CB 3.5Å; F426-R429 PolarHBondContact O-N 2.76Å
427N58.2Low71.3Confident153 Ų15374.7 Ų74.782%0.81834%0.341SS*.THydrogen-bonded Turntrans50.141.1175.5-68.3-19.6000115.3R429N427-R429 VanDerWaalsContact C-N 3.29Å; N427-R429 PolarHBondContact O-N 3.21Å
428K64.1Low70.7Confident119 Ų11972.1 Ų72.152%0.51733%0.329SS..THydrogen-bonded Turntrans62.930.5-176.1-50.3173.1-1801690113.3L385 P387 F426L385-K428 WeakPolarHBondContact CA-O 3.34Å; L385-K428 WeakPolarHBondContact CB-O 3.47Å; L385-K428 PolarHBondContact N-O 3.15Å; P387-K428 HydrophobicContact CB-CD 4.08Å; F426-K428 VanDerWaalsContact C-N 3.29Å; F426-K428 PolarHBondContact O-N 3Å; F426-K428 VanDerWaalsContact O-N 3.11Å
429R67.3Low70.2Confident127 Ų12773 Ų7348%0.47934%0.335SS..EExtended strand (participates in β ladder)trans-125.2144.9176.9-54.6179.6177.4-174.4-3.1109.9V382 P384 F426 N427 E431V382-R429 HydrophobicContact CG1-CB 3.93Å; V382-R429 HydrophobicContact CG1-CG 4.28Å; P384-R429 HydrophobicContact CB-CG 4.22Å; F426-R429 PolarHBondContact N-O 3.37Å; F426-R429 WeakPolarHBondContact O-CB 3.5Å; F426-R429 PolarHBondContact O-N 2.76Å; N427-R429 VanDerWaalsContact C-N 3.29Å; N427-R429 PolarHBondContact O-N 3.21Å; R429-E431 HydrophobicContact CB-CG 4.48Å
430L71.2Confident69.7Low0 Ų078.4 Ų78.40%036%0.364CS..EExtended strand (participates in β ladder)trans-93.7121.9164.8-61.2170.6000107.6V382 I383 L385 F403 I419 F432V382-L430 WeakPolarHBondContact CA-O 3.39Å; I383-L430 HydrophobicContact CB-CB 4.26Å; I383-L430 PolarHBondContact N-O 3.35Å; I383-L430 PolarHBondContact O-N 3.35Å; L385-L430 HydrophobicContact CD1-CD1 3.96Å; L385-L430 HydrophobicContact CD1-CD2 3.88Å; L385-L430 HydrophobicContact CD1-CG 3.6Å; L385-L430 HydrophobicContact CD2-CD1 3.92Å; L385-L430 HydrophobicContact CD2-CG 4.33Å; L385-L430 HydrophobicContact CG-CD1 4.1Å; L385-L430 HydrophobicContact CG-CG 3.93Å; F403-L430 HydrophobicContact CB-CD1 4.1Å; F403-L430 HydrophobicContact CD1-CD1 3.57Å; F403-L430 HydrophobicContact CD2-CD1 3.63Å; F403-L430 HydrophobicContact CD2-CD2 3.83Å; F403-L430 HydrophobicContact CD2-CG 4.4Å; F403-L430 HydrophobicContact CE1-CD1 3.81Å; F403-L430 HydrophobicContact CE2-CD1 3.86Å; F403-L430 HydrophobicContact CE2-CD2 3.97Å; F403-L430 HydrophobicContact CG-CD1 3.48Å; F403-L430 VanDerWaalsContact CG-CD1 3.48Å; F403-L430 HydrophobicContact CG-CD2 4.47Å; F403-L430 HydrophobicContact CZ-CD1 3.95Å; I419-L430 HydrophobicContact CG2-CD2 4.06Å; L430-F432 HydrophobicContact CB-CE2 4.16Å
431E74.1Confident69.3Low79 Ų7976.8 Ų76.837%0.36936%0.358SS..EExtended strand (participates in β ladder)trans-114.6113.5179.9-62.4-174174.100109.7V382 I419 R429V382-E431 HydrophobicContact CG1-CG 4.26Å; V382-E431 HydrophobicContact CG2-CG 4.17Å; I419-E431 WeakPolarHBondContact CD1-O 3.16Å; R429-E431 HydrophobicContact CB-CG 4.48Å
432F77.4Confident69Low6 Ų678 Ų783%0.02637%0.369CS..EExtended strand (participates in β ladder)trans-91.4131.6173.9-55.3-101.6000110.4I381 I383 F403 C405 S416 E417 I419 L430 L451I381-F432 HydrophobicContact CB-CB 4.06Å; I381-F432 HydrophobicContact CB-CD2 4.1Å; I381-F432 HydrophobicContact CB-CG 4.44Å; I381-F432 HydrophobicContact CG2-CD2 4.04Å; I381-F432 PolarHBondContact O-N 2.95Å; I383-F432 HydrophobicContact CD1-CE2 3.7Å; I383-F432 HydrophobicContact CD1-CZ 4.45Å; I383-F432 HydrophobicContact CG1-CE2 4.11Å; F403-F432 HydrophobicContact CB-CZ 4.03Å; C405-F432 WeakPolarHBondContact SG-CE2 3.42Å; C405-F432 WeakPolarHBondContact SG-CZ 3.37Å; S416-F432 WeakPolarHBondContact OG-CD1 3.32Å; S416-F432 VanDerWaalsContact OG-CE1 3.29Å; S416-F432 WeakPolarHBondContact OG-CE1 3.23Å; E417-F432 WeakPolarHBondContact OE1-CA 3.27Å; I419-F432 HydrophobicContact CB-CE1 4.25Å; I419-F432 HydrophobicContact CD1-CB 4.11Å; I419-F432 HydrophobicContact CD1-CD1 3.26Å; I419-F432 HydrophobicContact CD1-CD2 3.89Å; I419-F432 HydrophobicContact CD1-CE1 3.49Å; I419-F432 VanDerWaalsContact CD1-CE1 3.49Å; I419-F432 HydrophobicContact CD1-CE2 4.06Å; I419-F432 HydrophobicContact CD1-CG 3.48Å; I419-F432 VanDerWaalsContact CD1-CG 3.48Å; I419-F432 HydrophobicContact CD1-CZ 3.89Å; I419-F432 HydrophobicContact CG1-CD1 3.71Å; I419-F432 HydrophobicContact CG1-CE1 3.7Å; I419-F432 HydrophobicContact CG1-CG 4.41Å; I419-F432 HydrophobicContact CG1-CZ 4.37Å; L430-F432 HydrophobicContact CB-CE2 4.16Å; F432-L451 HydrophobicContact CZ-CD1 4.13Å
433Q80.4Confident68.6Low164 Ų16474.9 Ų74.977%0.76636%0.359SS*.  trans-88-16.1178.6-69.7171.4-26.700111.8E417 K424 R435E417-Q433 PolarHBondContact OE1-N 3.19Å; K424-Q433 VanDerWaalsContact NZ-OE1 3.15Å; Q433-R435 PolarHBondContact O-N 3.3Å
434A76.4Confident68.8Low22 Ų2272.5 Ų72.518%0.18236%0.36CS..PPolyproline II helixtrans-62.6135178.200000112.5E417 L436E417-A434 VanDerWaalsContact OE2-CB 3.27Å; E417-A434 WeakPolarHBondContact OE2-CB 3.23Å; E417-A434 PolarHBondContact OE2-N 3.24Å; A434-L436 HydrophobicContact CB-CD2 4.13Å
435R79.9Confident69.2Low160 Ų16070.3 Ų70.360%0.60435%0.351SS*.PPolyproline II helixtrans-91.3116.3160.1178.8177.2174.5176.9-0.2108D377 L378 W379 Q433D377-R435 VanDerWaalsContact CG-NH2 3.26Å; D377-R435 IonicContact OD1-CZ 3.69Å; D377-R435 IonicContact OD1-NE 3.86Å; D377-R435 PolarHBondContact OD1-NE 3.37Å; D377-R435 IonicContact OD1-NH2 2.72Å; D377-R435 IonicContact OD2-CZ 2.7Å; D377-R435 IonicContact OD2-NE 3.48Å; D377-R435 IonicContact OD2-NH2 3.11Å; D377-R435 PolarHBondContact OD2-NH2 3.44Å; L378-R435 CarbonylContact O-C 3.58Å; L378-R435 WeakPolarHBondContact O-CA 3.17Å; W379-R435 HydrophobicContact CB-CB 4.49Å; W379-R435 HydrophobicContact CB-CG 4.38Å; Q433-R435 PolarHBondContact O-N 3.3Å
436L79.4Confident69.6Low4 Ų471.8 Ų71.82%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-94.5125.9175.8-54.5-175.7000108.5L378 I381 C405 M407 V414 W415 A434 F449L378-L436 HydrophobicContact CB-CB 4.39Å; L378-L436 PolarHBondContact N-O 3.31Å; L378-L436 PolarHBondContact O-N 3.37Å; I381-L436 HydrophobicContact CD1-CD1 3.82Å; I381-L436 HydrophobicContact CD1-CG 4.14Å; C405-L436 HydrophobicContact CB-CD1 4.45Å; M407-L436 HydrophobicContact CB-CD1 4.25Å; M407-L436 HydrophobicContact CE-CB 3.82Å; V414-L436 HydrophobicContact CG2-CB 3.99Å; V414-L436 HydrophobicContact CG2-CD2 4.49Å; W415-L436 VanDerWaalsContact O-CD2 3.23Å; W415-L436 WeakPolarHBondContact O-CD2 3.49Å; A434-L436 HydrophobicContact CB-CD2 4.13Å; L436-F449 HydrophobicContact CD1-CE2 4.26Å
437S77.1Confident70.3Confident45 Ų4566 Ų6632%0.31533%0.333SS..EExtended strand (participates in β ladder)trans-126.8128-178.4-166.10000110.2T375 L376 D377 V414T375-S437 WeakPolarHBondContact CG2-OG 3.35Å; L376-S437 CarbonylContact O-C 3.57Å; L376-S437 VanDerWaalsContact O-CA 3.31Å; L376-S437 WeakPolarHBondContact O-CA 3.48Å; D377-S437 WeakPolarHBondContact OD1-CB 3.33Å; D377-S437 PolarHBondContact OD1-OG 2.9Å; V414-S437 WeakPolarHBondContact CG1-O 3.34Å
438V75.5Confident71Confident0 Ų061 Ų610%031%0.305CS..EExtended strand (participates in β ladder)trans-119.2110.3172.6172.90000108.1T375 L376 M407 Y409 T412 V414 L441T375-V438 WeakPolarHBondContact CA-O 3.41Å; L376-V438 PolarHBondContact N-O 2.89Å; L376-V438 PolarHBondContact O-N 3.41Å; M407-V438 HydrophobicContact CE-CB 4.06Å; M407-V438 HydrophobicContact CE-CG2 3.39Å; M407-V438 HydrophobicContact CG-CG2 4.19Å; M407-V438 HydrophobicContact SD-CG2 4.49Å; Y409-V438 HydrophobicContact CD1-CG1 4Å; Y409-V438 HydrophobicContact CG-CG1 4.13Å; T412-V438 HydrophobicContact CG2-CG1 4.48Å; T412-V438 HydrophobicContact CG2-CG2 4.39Å; V414-V438 HydrophobicContact CG2-CG2 3.89Å; V438-L441 HydrophobicContact CG1-CD2 3.57Å; V438-L441 HydrophobicContact CG1-CG 4.16Å
439P73.8Confident71.6Confident55 Ų5555.8 Ų55.836%0.35728%0.282SS..EExtended strand (participates in β ladder)trans-83.2172.717834.8-35.4000112G374 L441G374-P439 CarbonylContact O-C 3.52Å; P439-L441 VanDerWaalsContact C-N 3.29Å; P439-L441 PolarHBondContact O-N 3.28Å
440N69.6Low72Confident116 Ų11649.8 Ų49.862%0.6226%0.26SS*.EExtended strand (participates in β ladder)trans5933.7169.9-57.9-39.3000115.3G374G374-N440 PolarHBondContact O-N 3.48Å
441L67.5Low72.3Confident1 Ų150.1 Ų50.11%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-70.1134.6175-64.8177.3000110.5S373 G374 L376 Y409 V438 P439 H445 V447 F505S373-L441 WeakPolarHBondContact CA-O 3.42Å; G374-L441 PolarHBondContact N-O 3.33Å; G374-L441 PolarHBondContact O-N 3.44Å; L376-L441 HydrophobicContact CB-CD1 3.29Å; Y409-L441 HydrophobicContact CD1-CD2 3.5Å; Y409-L441 VanDerWaalsContact CD1-CD2 3.5Å; Y409-L441 HydrophobicContact CD2-CD2 3.75Å; Y409-L441 HydrophobicContact CE1-CD2 3.61Å; Y409-L441 HydrophobicContact CE2-CD2 3.86Å; Y409-L441 HydrophobicContact CG-CD2 3.55Å; V438-L441 HydrophobicContact CG1-CD2 3.57Å; V438-L441 HydrophobicContact CG1-CG 4.16Å; P439-L441 VanDerWaalsContact C-N 3.29Å; P439-L441 PolarHBondContact O-N 3.28Å; L441-H445 HydrophobicContact CB-CB 3.99Å; L441-H445 HydrophobicContact CD2-CB 3.88Å; L441-H445 HydrophobicContact CG-CB 4.41Å; L441-V447 HydrophobicContact CD1-CG2 4.26Å; L441-V447 HydrophobicContact CD2-CG2 3.72Å; L441-F505 HydrophobicContact CB-CE2 4.36Å; L441-F505 WeakPolarHBondContact O-CZ 3.33Å
442S64.7Low72.3Confident45 Ų4546.9 Ų46.932%0.31525%0.246SC..  trans-71.5162.6167.555.90000110.9Y409 D444 H445Y409-S442 PolarHBondContact OH-N 2.8Å; Y409-S442 PolarHBondContact OH-OG 3.4Å; S442-D444 PolarHBondContact O-N 2.9Å; S442-H445 WeakPolarHBondContact O-CB 3.15Å; S442-H445 PolarHBondContact O-N 2.99Å; S442-H445 PolarHBondContact O-ND1 2.94Å
443P56.5Low71.9Confident51 Ų5148 Ų4833%0.33125%0.253SS..THydrogen-bonded Turntrans-52.1-38.6172.9-27.836.4000113.1C372 H445 F505C372-P443 HydrophobicContact CB-CG 3.69Å; P443-H445 VanDerWaalsContact C-N 3.34Å; P443-H445 PolarHBondContact O-N 2.68Å; P443-F505 HydrophobicContact CG-CE1 4.5Å
444D63.1Low71.4Confident136 Ų13640.3 Ų40.373%0.72722%0.217SC*.THydrogen-bonded Turntrans-99.336.3-176.4-47.7-35.8000111.8S442S442-D444 PolarHBondContact O-N 2.9Å
445H64.8Low70.7Confident2 Ų240.4 Ų40.41%0.00922%0.216CC..  trans-68.5143.6-175.261-85.2000112.5Y409 L441 S442 P443 L476 F505Y409-H445 HydrophobicContact CD2-CB 4.28Å; Y409-H445 HydrophobicContact CE2-CB 3.58Å; L441-H445 HydrophobicContact CB-CB 3.99Å; L441-H445 HydrophobicContact CD2-CB 3.88Å; L441-H445 HydrophobicContact CG-CB 4.41Å; S442-H445 WeakPolarHBondContact O-CB 3.15Å; S442-H445 PolarHBondContact O-N 2.99Å; S442-H445 PolarHBondContact O-ND1 2.94Å; P443-H445 VanDerWaalsContact C-N 3.34Å; P443-H445 PolarHBondContact O-N 2.68Å; H445-L476 WeakPolarHBondContact NE2-CB 3.31Å; H445-L476 WeakPolarHBondContact NE2-CD1 3.44Å; H445-F505 AromaticContact CE1-CE2 3.95Å
446L67.4Low69.6Low96 Ų9633.6 Ų33.650%0.50319%0.191SC..EExtended strand (participates in β ladder)trans-116.2101169.8-159.878.6000109Y409 S472 C473Y409-L446 WeakPolarHBondContact CD2-O 3.39Å; L446-S472 WeakPolarHBondContact CD1-OG 3.33Å; L446-S472 WeakPolarHBondContact CD2-OG 3.48Å; L446-S472 WeakPolarHBondContact CG-OG 3.22Å; L446-C473 WeakPolarHBondContact CA-O 3.34Å
447V67.5Low68.2Low5 Ų536.4 Ų36.43%0.0321%0.206CC..EExtended strand (participates in β ladder)trans-94.6124.7177175.60000109L376 M407 Y409 L441 C473L376-V447 HydrophobicContact CD2-CB 4.12Å; L376-V447 HydrophobicContact CD2-CG1 3.99Å; L376-V447 HydrophobicContact CD2-CG2 3.97Å; M407-V447 HydrophobicContact CG-CG1 3.23Å; M407-V447 HydrophobicContact SD-CG1 3.72Å; Y409-V447 HydrophobicContact CD2-CG2 4.14Å; Y409-V447 HydrophobicContact CG-CG2 4.35Å; L441-V447 HydrophobicContact CD1-CG2 4.26Å; L441-V447 HydrophobicContact CD2-CG2 3.72Å; V447-C473 PolarHBondContact N-O 3.05Å; V447-C473 PolarHBondContact O-N 3.29Å
448Q73.2Confident66.4Low49 Ų4938.3 Ų38.323%0.22922%0.217CC..EExtended strand (participates in β ladder)trans-91.7119175.1-175.1-176.4-43.100110.2M407 K408 S450 R470 Y471M407-Q448 CarbonylContact C-O 3.45Å; M407-Q448 VanDerWaalsContact CA-O 3.29Å; M407-Q448 WeakPolarHBondContact CA-O 3.44Å; K408-Q448 HydrophobicContact CB-CB 4.43Å; K408-Q448 PolarHBondContact N-O 2.86Å; K408-Q448 PolarHBondContact O-N 2.7Å; Q448-S450 PolarHBondContact NE2-OG 2.62Å; Q448-S450 VanDerWaalsContact NE2-OG 3.09Å; Q448-R470 HydrophobicContact CG-CB 4.43Å; Q448-Y471 CarbonylContact C-O 3.5Å; Q448-Y471 VanDerWaalsContact CA-O 3.26Å; Q448-Y471 WeakPolarHBondContact CA-O 3.37Å
449F76.2Confident64.4Low9 Ų943.6 Ų43.64%0.03925%0.254CS..EExtended strand (participates in β ladder)trans-99.3139.9168.2-179.3-92.5000110.1L378 I381 C405 V406 M407 L436 R470 Y471 M497L378-F449 HydrophobicContact CD1-CD2 4.37Å; I381-F449 HydrophobicContact CD1-CE2 4.23Å; I381-F449 HydrophobicContact CG2-CZ 4.15Å; C405-F449 HydrophobicContact CB-CE2 3.82Å; C405-F449 HydrophobicContact CB-CZ 3.72Å; V406-F449 CarbonylContact O-C 3.55Å; V406-F449 WeakPolarHBondContact O-CA 3.44Å; M407-F449 HydrophobicContact CB-CD2 4.46Å; L436-F449 HydrophobicContact CD1-CE2 4.26Å; F449-R470 CarbonylContact O-C 3.5Å; F449-R470 WeakPolarHBondContact O-CA 3.36Å; F449-Y471 AromaticContact CD1-CD2 3.76Å; F449-Y471 HydrophobicContact CD1-CD2 3.76Å; F449-Y471 HydrophobicContact CD1-CE2 4.34Å; F449-Y471 HydrophobicContact CE1-CD2 4.5Å; F449-Y471 PolarHBondContact N-O 3.46Å; F449-Y471 PolarHBondContact O-N 3.42Å; F449-M497 HydrophobicContact CE1-SD 4.08Å
450S77.4Confident62.3Low0 Ų047 Ų470%027%0.267CS..EExtended strand (participates in β ladder)trans-141.1122.2-176-63.60000111.6C405 V406 Q448 I469C405-S450 CarbonylContact C-O 3.49Å; C405-S450 WeakPolarHBondContact CA-O 3.4Å; V406-S450 PolarHBondContact N-O 3.39Å; V406-S450 PolarHBondContact O-N 2.95Å; Q448-S450 PolarHBondContact NE2-OG 2.62Å; Q448-S450 VanDerWaalsContact NE2-OG 3.09Å; S450-I469 VanDerWaalsContact CA-O 3.26Å; S450-I469 WeakPolarHBondContact CA-O 3.3Å
451L76.6Confident60.2Low8 Ų848.1 Ų48.14%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-92.2127.9167.4178.767.2000109.2I383 F403 F432 I469I383-L451 HydrophobicContact CD1-CD1 3.65Å; I383-L451 HydrophobicContact CD1-CD2 3.76Å; I383-L451 HydrophobicContact CD1-CG 4.17Å; I383-L451 HydrophobicContact CG2-CD2 4.31Å; F403-L451 HydrophobicContact CB-CD1 4.36Å; F403-L451 HydrophobicContact CD1-CD1 4.48Å; F432-L451 HydrophobicContact CZ-CD1 4.13Å; L451-I469 HydrophobicContact CD2-CD1 4.23Å; L451-I469 PolarHBondContact N-O 3.44Å; L451-I469 PolarHBondContact O-N 2.89Å
452Y73.7Confident58.4Low10 Ų1051.2 Ų51.24%0.03929%0.285CS..EExtended strand (participates in β ladder)trans-112.2140172.5-63.1-91.1000111L341 E345 F403 I404 V406 K408L341-Y452 HydrophobicContact CD1-CD1 3.55Å; L341-Y452 HydrophobicContact CD1-CD2 4.37Å; L341-Y452 HydrophobicContact CD1-CE1 3.95Å; L341-Y452 HydrophobicContact CD1-CG 3.75Å; L341-Y452 HydrophobicContact CD2-CD1 4.46Å; L341-Y452 HydrophobicContact CD2-CD2 3.93Å; L341-Y452 HydrophobicContact CD2-CE1 4.49Å; L341-Y452 HydrophobicContact CD2-CE2 4.01Å; L341-Y452 HydrophobicContact CD2-CG 4.15Å; L341-Y452 HydrophobicContact CG-CD1 4.46Å; L341-Y452 HydrophobicContact CG-CE1 4.48Å; E345-Y452 PolarHBondContact OE1-OH 2.97Å; F403-Y452 WeakPolarHBondContact CA-O 3.19Å; I404-Y452 HydrophobicContact CG2-CD2 4.46Å; I404-Y452 PolarHBondContact N-O 2.72Å; I404-Y452 PolarHBondContact O-N 2.9Å; V406-Y452 HydrophobicContact CB-CD2 4.37Å; V406-Y452 HydrophobicContact CB-CE2 3.88Å; V406-Y452 HydrophobicContact CG2-CD2 3.78Å; V406-Y452 HydrophobicContact CG2-CE2 3.64Å; K408-Y452 PolarHBondContact NZ-OH 3.45Å; K408-Y452 VanDerWaalsContact NZ-OH 3.12Å
453V69.9Low56.5Low30 Ų3051.3 Ų51.318%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-113.3129.7173.4-169.90000108.8Y401 A402 F403 V455Y401-V453 HydrophobicContact CD1-CG1 4.15Å; A402-V453 CarbonylContact O-C 3.58Å; A402-V453 WeakPolarHBondContact O-CA 3.5Å; F403-V453 HydrophobicContact CD1-CB 4.34Å; F403-V453 HydrophobicContact CD1-CG1 4.16Å; F403-V453 HydrophobicContact CD1-CG2 3.74Å; F403-V453 HydrophobicContact CE1-CB 4.24Å; F403-V453 HydrophobicContact CE1-CG1 3.73Å; F403-V453 HydrophobicContact CE1-CG2 3.63Å; F403-V453 HydrophobicContact CZ-CG1 4.22Å; V453-V455 HydrophobicContact CG1-CG2 4.38Å
454M69.3Low55.3Low3 Ų351.7 Ų51.72%0.01530%0.297CS..EExtended strand (participates in β ladder)trans-113.8124.6174.9-65.6175.8-77.600108.9I334 R337 A338 Y401 A402 I404 V418 F466I334-M454 HydrophobicContact CG2-CE 4.01Å; I334-M454 HydrophobicContact CG2-SD 4.38Å; R337-M454 HydrophobicContact CB-SD 3.61Å; A338-M454 HydrophobicContact CB-CE 4.07Å; A338-M454 HydrophobicContact CB-SD 4.34Å; Y401-M454 CarbonylContact C-O 3.59Å; Y401-M454 WeakPolarHBondContact CA-O 3.5Å; A402-M454 HydrophobicContact CB-CB 4.34Å; A402-M454 HydrophobicContact CB-CE 4.07Å; A402-M454 PolarHBondContact N-O 2.94Å; A402-M454 PolarHBondContact O-N 2.51Å; I404-M454 HydrophobicContact CG2-CE 4.12Å; V418-M454 HydrophobicContact CG1-CE 3.94Å; V418-M454 HydrophobicContact CG2-CE 4.38Å; M454-F466 HydrophobicContact CG-CE1 4.32Å
455V62.1Low53.5Low24 Ų2452.4 Ų52.415%0.14530%0.295CS..EExtended strand (participates in β ladder)trans-111.5130.1177.6-168.90000109R337 K399 Y401 V453 L457R337-V455 PolarHBondContact NH1-O 3.48Å; R337-V455 VanDerWaalsContact NH1-O 3.11Å; K399-V455 HydrophobicContact CB-CG1 4.37Å; Y401-V455 HydrophobicContact CD1-CB 4.46Å; Y401-V455 HydrophobicContact CD1-CG1 4.31Å; Y401-V455 HydrophobicContact CD1-CG2 3.65Å; Y401-V455 HydrophobicContact CE1-CB 4.34Å; Y401-V455 HydrophobicContact CE1-CG1 3.92Å; Y401-V455 HydrophobicContact CE1-CG2 3.52Å; V453-V455 HydrophobicContact CG1-CG2 4.38Å; V455-L457 HydrophobicContact CG1-CD2 4.48Å; V455-L457 HydrophobicContact CG1-CG 4.31Å
456N56.6Low51.7Low16 Ų1657 Ų579%0.08632%0.315CS..EExtended strand (participates in β ladder)trans-103112.4167.2-146.16.8000109.7L330 R337 K400L330-N456 HydrophobicContact CD2-CB 4.16Å; L330-N456 WeakPolarHBondContact CD2-ND2 3.36Å; R337-N456 PolarHBondContact NH2-OD1 2.85Å; R337-N456 VanDerWaalsContact NH2-OD1 3.12Å; K400-N456 HydrophobicContact CB-CB 4.47Å; K400-N456 PolarHBondContact N-O 2.81Å; K400-N456 PolarHBondContact O-N 2.89Å
457L49.3Very low49.7Very low63 Ų6353.3 Ų53.333%0.3330%0.298SS..  trans-92.6124.2176.8-71.2164.2000108.9K399 V455 S459K399-L457 HydrophobicContact CD-CD2 3.77Å; K399-L457 HydrophobicContact CG-CD2 3.97Å; V455-L457 HydrophobicContact CG1-CD2 4.48Å; V455-L457 HydrophobicContact CG1-CG 4.31Å; L457-S459 VanDerWaalsContact C-N 3.3Å; L457-S459 PolarHBondContact O-N 2.88Å
458P40.5Very low47.8Very low85 Ų8555.5 Ų55.555%0.55231%0.313SS*.THydrogen-bonded Turntrans-77.2-2.4-172.725.7-31.5000115.7C398C398-P458 HydrophobicContact CB-CB 4.38Å; C398-P458 HydrophobicContact CB-CG 3.53Å; C398-P458 WeakPolarHBondContact O-CD 3.37Å; C398-P458 WeakPolarHBondContact O-CG 3.41Å
459S33.7Very low45.8Very low111 Ų11154.4 Ų54.478%0.77631%0.309SS*.THydrogen-bonded Turntrans-143.114-167.648.70000116.3L457L457-S459 VanDerWaalsContact C-N 3.3Å; L457-S459 PolarHBondContact O-N 2.88Å
460M27.9Very low43.5Very low128 Ų12859.9 Ų59.963%0.63133%0.329SS*.SBendtrans-131.9137.6173.8-87.5-176.755.800111.5H462M460-H462 PolarHBondContact O-N 3.43Å; M460-H462 VanDerWaalsContact O-N 3.07Å
461I27Very low41.3Very low139 Ų13961 Ų6171%0.71333%0.334SS*.SBendtrans-37.6118.3159-63.6168.4000107.5G463I461-G463 PolarHBondContact O-N 3.43Å
462H29.3Very low39.2Very low65 Ų6561.8 Ų61.830%0.30134%0.34SS..  trans-50.898.7-157.6-74.637.6000113.8R223 F322 R337 M460R223-H462 PolarHBondContact NH2-O 3.37Å; F322-H462 AromaticContact CE2-CE1 3.92Å; R337-H462 PolarHBondContact NH2-CD2 3.31Å; R337-H462 PolarHBondContact NH2-NE2 3.07Å; M460-H462 PolarHBondContact O-N 3.43Å; M460-H462 VanDerWaalsContact O-N 3.07Å
463G25.4Very low37.3Very low47 Ų4762.3 Ų62.349%0.48534%0.344SS..  trans-87.5114.7158.400000108.6I461I461-G463 PolarHBondContact O-N 3.43Å
464S30Very low35.5Very low59 Ų5961.5 Ų61.541%0.41334%0.34SS..  trans-97.9119.4175.4-470000107.5
465F25.5Very low33.8Very low152 Ų15263.6 Ų63.667%0.66735%0.352SS*.  trans-96.3124.3165.1-176.5-104000108.1A467F465-A467 HydrophobicContact CE1-CB 3.78Å; F465-A467 HydrophobicContact CZ-CB 4.4Å
466F27.8Very low32.3Very low98 Ų9862.8 Ų62.843%0.4335%0.346SS..  trans-110.7112169.3-66.9-84.2000107.4L341 M454L341-F466 HydrophobicContact CD1-CD1 3.84Å; L341-F466 HydrophobicContact CD1-CE1 3.7Å; M454-F466 HydrophobicContact CG-CE1 4.32Å
467A25.6Very low31.1Very low19 Ų1963.6 Ų63.616%0.15735%0.351CS..  trans-86.4131.116000000107.9F465F465-A467 HydrophobicContact CE1-CB 3.78Å; F465-A467 HydrophobicContact CZ-CB 4.4Å
468S27.5Very low30Very low50 Ų5062.5 Ų62.535%0.3535%0.351SS..EExtended strand (participates in β ladder)trans-117.7117.4170.8-178.50000107.7
469I29.7Very low29.4Very low27 Ų2766 Ų6614%0.13836%0.357CS..EExtended strand (participates in β ladder)trans-96.4106.5170.1-49.3176.7000106.9S450 L451 Y471 W489 M495S450-I469 VanDerWaalsContact CA-O 3.26Å; S450-I469 WeakPolarHBondContact CA-O 3.3Å; L451-I469 HydrophobicContact CD2-CD1 4.23Å; L451-I469 PolarHBondContact N-O 3.44Å; L451-I469 PolarHBondContact O-N 2.89Å; I469-Y471 HydrophobicContact CB-CE2 3.98Å; I469-Y471 HydrophobicContact CG2-CD2 4.04Å; I469-Y471 HydrophobicContact CG2-CE1 4.4Å; I469-Y471 HydrophobicContact CG2-CE2 3.28Å; I469-Y471 VanDerWaalsContact CG2-CZ 3.5Å; I469-W489 HydrophobicContact CD1-CZ2 3.74Å; I469-W489 HydrophobicContact CG1-CZ2 3.98Å; I469-M495 HydrophobicContact CD1-SD 4.16Å
470R28.7Very low29Very low123 Ų12370.1 Ų70.146%0.46436%0.364SS..EExtended strand (participates in β ladder)trans-91121179.4-63-174.2-178.8-177.43.9110Q448 F449Q448-R470 HydrophobicContact CG-CB 4.43Å; F449-R470 CarbonylContact O-C 3.5Å; F449-R470 WeakPolarHBondContact O-CA 3.36Å
471Y31.8Very low29.1Very low25 Ų2567.3 Ų67.310%0.09836%0.355CS..EExtended strand (participates in β ladder)trans-108.1139.1166.5-58.7-93.3000108.1Q448 F449 I469 M497 F513Q448-Y471 CarbonylContact C-O 3.5Å; Q448-Y471 VanDerWaalsContact CA-O 3.26Å; Q448-Y471 WeakPolarHBondContact CA-O 3.37Å; F449-Y471 AromaticContact CD1-CD2 3.76Å; F449-Y471 HydrophobicContact CD1-CD2 3.76Å; F449-Y471 HydrophobicContact CD1-CE2 4.34Å; F449-Y471 HydrophobicContact CE1-CD2 4.5Å; F449-Y471 PolarHBondContact N-O 3.46Å; F449-Y471 PolarHBondContact O-N 3.42Å; I469-Y471 HydrophobicContact CB-CE2 3.98Å; I469-Y471 HydrophobicContact CG2-CD2 4.04Å; I469-Y471 HydrophobicContact CG2-CE1 4.4Å; I469-Y471 HydrophobicContact CG2-CE2 3.28Å; I469-Y471 VanDerWaalsContact CG2-CZ 3.5Å; Y471-M497 HydrophobicContact CD1-CE 3.95Å; Y471-M497 HydrophobicContact CD2-CE 4.11Å; Y471-M497 HydrophobicContact CE1-CE 3.69Å; Y471-M497 HydrophobicContact CE2-CE 3.81Å; Y471-M497 HydrophobicContact CE2-SD 4.17Å; Y471-M497 HydrophobicContact CG-CE 4.14Å; Y471-F513 HydrophobicContact CD1-CE1 4.35Å
472S31Very low29.2Very low23 Ų2365.4 Ų65.416%0.16135%0.354CS..EExtended strand (participates in β ladder)trans-120.9116.9178.2167.30000107L446 T512L446-S472 WeakPolarHBondContact CD1-OG 3.33Å; L446-S472 WeakPolarHBondContact CD2-OG 3.48Å; L446-S472 WeakPolarHBondContact CG-OG 3.22Å; S472-T512 WeakPolarHBondContact CB-O 3.11Å; S472-T512 PolarHBondContact OG-O 3.5Å
473C34.6Very low29.2Very low21 Ų2164.1 Ų64.114%0.14236%0.358CS..EExtended strand (participates in β ladder)trans-100.3108.5176.8-148.30000107.8L446 V447 L476L446-C473 WeakPolarHBondContact CA-O 3.34Å; V447-C473 PolarHBondContact N-O 3.05Å; V447-C473 PolarHBondContact O-N 3.29Å; C473-L476 HydrophobicContact CB-CD1 4.23Å
474S33.3Very low29.3Very low13 Ų1368.4 Ų68.49%0.09137%0.365CS..EExtended strand (participates in β ladder)trans-100.1137.616534.70000107.7A510 T512S474-A510 CarbonylContact C-O 3.51Å; S474-A510 WeakPolarHBondContact CB-O 3.34Å; S474-A510 PolarHBondContact OG-O 2.88Å; S474-T512 PolarHBondContact OG-N 3.22Å; S474-T512 PolarHBondContact OG-OG1 3.38Å
475D31.8Very low29.2Very low48 Ų4867.2 Ų67.226%0.25735%0.354SS..  trans65.869175.2-54.7-31.1000116.5N477 M509 A510D475-N477 PolarHBondContact O-N 3.33Å; D475-M509 WeakPolarHBondContact O-CA 3.1Å; D475-M509 VanDerWaalsContact O-CB 3.3Å; D475-M509 WeakPolarHBondContact O-CB 3.26Å; D475-M509 VanDerWaalsContact O-CG 3.23Å; D475-M509 WeakPolarHBondContact O-CG 3.35Å; D475-A510 PolarHBondContact OD2-N 3.29Å
476L32.1Very low29.3Very low6 Ų662.6 Ų62.63%0.03134%0.338CS..  trans-79.999.3172-94.2145.8000111.6L376 H445 C473 L501 S503 F505L376-L476 HydrophobicContact CD1-CD1 3.52Å; L376-L476 HydrophobicContact CD1-CD2 3.89Å; L376-L476 HydrophobicContact CD1-CG 4.31Å; L376-L476 HydrophobicContact CD2-CD1 3.61Å; L376-L476 HydrophobicContact CG-CD1 4.09Å; H445-L476 WeakPolarHBondContact NE2-CB 3.31Å; H445-L476 WeakPolarHBondContact NE2-CD1 3.44Å; C473-L476 HydrophobicContact CB-CD1 4.23Å; L476-L501 HydrophobicContact CD2-CB 3.98Å; L476-L501 HydrophobicContact CD2-CD1 4.11Å; L476-L501 HydrophobicContact CD2-CD2 4.34Å; L476-L501 HydrophobicContact CD2-CG 4.36Å; L476-S503 WeakPolarHBondContact O-CB 3.47Å; L476-S503 PolarHBondContact O-OG 3.03Å; L476-F505 WeakPolarHBondContact O-CB 3.48Å
477N31.3Very low29.3Very low33 Ų3359 Ų5918%0.17633%0.325CS..BIsolated β-bridgetrans-97.1138.8170.1-12829.4000114.1D475 F479 F505 N506 K507 K508D475-N477 PolarHBondContact O-N 3.33Å; N477-F479 PolarHBondContact O-N 2.93Å; N477-F505 PolarHBondContact OD1-O 3.21Å; N477-N506 VanDerWaalsContact CG-C 3.44Å; N477-N506 PolarHBondContact ND2-O 3.41Å; N477-N506 WeakPolarHBondContact OD1-CA 3.02Å; N477-N506 PolarHBondContact OD1-N 3.48Å; N477-K507 WeakPolarHBondContact CB-O 3.35Å; N477-K507 WeakPolarHBondContact ND2-CA 3.36Å; N477-K507 PolarHBondContact ND2-N 3.21Å; N477-K507 PolarHBondContact ND2-O 3.36Å; N477-K507 WeakPolarHBondContact OD1-CA 3.33Å; N477-K507 PolarHBondContact OD1-N 3.07Å; N477-K507 PolarHBondContact OD1-O 3.16Å; N477-K508 PolarHBondContact ND2-N 2.94Å
478A26Very low29.3Very low40 Ų4061.5 Ų61.533%0.33134%0.336SS..SBendtrans-55.9100.5179.900000111.8S503 F505A478-S503 VanDerWaalsContact CB-O 3.25Å; A478-S503 WeakPolarHBondContact CB-O 3.48Å; A478-F505 VanDerWaalsContact CB-O 3.28Å; A478-F505 WeakPolarHBondContact CB-O 3.35Å; A478-F505 PolarHBondContact N-O 3.09Å
479F26.5Very low29.4Very low158 Ų15862.6 Ų62.669%0.69333%0.332SS*.  trans-144.3138.9148.7-86.4-86.5000106.8N477 T481N477-F479 PolarHBondContact O-N 2.93Å; F479-T481 HydrophobicContact CB-CG2 3.7Å; F479-T481 PolarHBondContact O-N 2.89Å; F479-T481 PolarHBondContact O-OG1 2.74Å
480E26.9Very low29.1Very low198 Ų19870.7 Ų70.793%0.92536%0.362SS*.  trans-57.492.3158-132.1177.6-171.500106.3
481T29.5Very low29.1Very low70 Ų7074.1 Ų74.143%0.42938%0.384SS..EExtended strand (participates in β ladder)trans-116.3106.5-177.631.20000107.5F479 G483F479-T481 HydrophobicContact CB-CG2 3.7Å; F479-T481 PolarHBondContact O-N 2.89Å; F479-T481 PolarHBondContact O-OG1 2.74Å; T481-G483 VanDerWaalsContact C-N 3.34Å; T481-G483 PolarHBondContact O-N 3.28Å; T481-G483 VanDerWaalsContact O-N 3.15Å
482S28.6Very low29Very low99 Ų9974.8 Ų74.869%0.69239%0.388SS*.EExtended strand (participates in β ladder)trans-73.393158.753.70000107.6
483G29.3Very low28.7Very low37 Ų3779 Ų7938%0.38141%0.409SS..EExtended strand (participates in β ladder)trans-87.5130.117500000111.5T481T481-G483 VanDerWaalsContact C-N 3.34Å; T481-G483 PolarHBondContact O-N 3.28Å; T481-G483 VanDerWaalsContact O-N 3.15Å
484H27.7Very low28.4Very low138 Ų13884.4 Ų84.464%0.63943%0.427SS*.EExtended strand (participates in β ladder)trans-91.6107.8165.5-74.4-71.4000109.2
485L29.1Very low28.1Very low34 Ų3484.9 Ų84.918%0.17843%0.428CS..EExtended strand (participates in β ladder)trans-91.5123.6170.5-82.3157.9000109.4Y496 M497 F513 M523L485-Y496 WeakPolarHBondContact O-CA 3.09Å; L485-M497 HydrophobicContact CD1-CE 4Å; L485-M497 PolarHBondContact N-O 3.42Å; L485-M497 PolarHBondContact O-N 3.04Å; L485-M497 VanDerWaalsContact O-N 3.12Å; L485-F513 HydrophobicContact CD2-CZ 4.16Å; L485-M523 HydrophobicContact CD2-CE 4.22Å; L485-M523 HydrophobicContact CD2-SD 4.31Å
486V26.9Very low27.9Very low55 Ų5586.7 Ų86.733%0.33343%0.432SS..EExtended strand (participates in β ladder)trans-104.9116.1174.8-176.10000108.2Y496V486-Y496 HydrophobicContact CG1-CE1 4.42Å; V486-Y496 HydrophobicContact CG2-CD1 3.88Å; V486-Y496 HydrophobicContact CG2-CE1 3.63Å
487C27Very low27.8Very low23 Ų2386.6 Ų86.616%0.15543%0.431CS..EExtended strand (participates in β ladder)trans-106.9122.9168.5-66.70000109.5W489 M495C487-W489 PolarHBondContact O-N 2.94Å; C487-M495 PolarHBondContact N-O 3.4Å
488N25.3Very low27.6Very low71 Ų7187.6 Ų87.638%0.3844%0.438SS..  trans-72.2127.8164.5-64.8-36000108.2L521N488-L521 HydrophobicContact CB-CD1 3.86Å; N488-L521 HydrophobicContact CB-CD2 3.58Å; N488-L521 HydrophobicContact CB-CG 3.99Å; N488-L521 WeakPolarHBondContact O-CD1 3.38Å
489W29.5Very low27.9Very low73 Ų7386.5 Ų86.528%0.27743%0.427SS..  trans-113.3110.2167-87.971.9000105I469 C487 E491 L492 D493I469-W489 HydrophobicContact CD1-CZ2 3.74Å; I469-W489 HydrophobicContact CG1-CZ2 3.98Å; C487-W489 PolarHBondContact O-N 2.94Å; W489-E491 PolarHBondContact O-N 2.9Å; W489-L492 VanDerWaalsContact CB-C 3.42Å; W489-L492 HydrophobicContact CB-CB 3.65Å; W489-L492 VanDerWaalsContact CB-O 3.25Å; W489-L492 WeakPolarHBondContact CB-O 3.25Å; W489-L492 HydrophobicContact CD2-CB 3.58Å; W489-L492 HydrophobicContact CD2-CD1 4.4Å; W489-L492 HydrophobicContact CE3-CB 3.29Å; W489-L492 HydrophobicContact CE3-CD1 3.74Å; W489-L492 HydrophobicContact CE3-CG 4.15Å; W489-L492 HydrophobicContact CG-CB 3.8Å; W489-L492 HydrophobicContact CH2-CD1 4.1Å; W489-L492 HydrophobicContact CZ3-CB 4.05Å; W489-L492 HydrophobicContact CZ3-CD1 3.56Å; W489-L492 HydrophobicContact CZ3-CG 4.45Å; W489-L492 PolarHBondContact O-N 2.95Å; W489-D493 WeakPolarHBondContact O-CA 3.37Å; W489-D493 PolarHBondContact O-N 2.86Å
490Y25.3Very low28Very low197 Ų19780.2 Ų80.277%0.77341%0.406SS*.THydrogen-bonded Turntrans-67.6115159.1-82.7-88.7000105.8
491E28.1Very low28.2Very low195 Ų19572.3 Ų72.391%0.91137%0.37SS*.THydrogen-bonded Turntrans87.112.6-173.1-55.7-170.816200118.8W489W489-E491 PolarHBondContact O-N 2.9Å
492L29.5Very low28.1Very low38 Ų3877.4 Ų77.420%0.19938%0.382CS..SBendtrans-156.546167.8-128.2160000110.1L388 W489 R494 M495L388-L492 HydrophobicContact CD1-CD2 3.28Å; L388-L492 HydrophobicContact CD1-CG 3.8Å; L388-L492 HydrophobicContact CG-CD2 4.26Å; W489-L492 VanDerWaalsContact CB-C 3.42Å; W489-L492 HydrophobicContact CB-CB 3.65Å; W489-L492 VanDerWaalsContact CB-O 3.25Å; W489-L492 WeakPolarHBondContact CB-O 3.25Å; W489-L492 HydrophobicContact CD2-CB 3.58Å; W489-L492 HydrophobicContact CD2-CD1 4.4Å; W489-L492 HydrophobicContact CE3-CB 3.29Å; W489-L492 HydrophobicContact CE3-CD1 3.74Å; W489-L492 HydrophobicContact CE3-CG 4.15Å; W489-L492 HydrophobicContact CG-CB 3.8Å; W489-L492 HydrophobicContact CH2-CD1 4.1Å; W489-L492 HydrophobicContact CZ3-CB 4.05Å; W489-L492 HydrophobicContact CZ3-CD1 3.56Å; W489-L492 HydrophobicContact CZ3-CG 4.45Å; W489-L492 PolarHBondContact O-N 2.95Å; L492-R494 PolarHBondContact O-N 3.47Å; L492-R494 VanDerWaalsContact O-N 3.1Å; L492-M495 HydrophobicContact CD2-CE 3.81Å
493D25.2Very low28.4Very low113 Ų11373.3 Ų73.360%0.60435%0.353SS*.  trans-36.5108-166.2-90-38.7000115N386 W489N386-D493 VanDerWaalsContact CG-O 3.27Å; N386-D493 PolarHBondContact ND2-O 3.16Å; W489-D493 WeakPolarHBondContact O-CA 3.37Å; W489-D493 PolarHBondContact O-N 2.86Å
494R27Very low28.6Very low133 Ų13375.7 Ų75.750%0.50236%0.364SS..  trans75.768.4162.5-55.6-175.6179.2-1720.3118.7N386 L492 Y496N386-R494 PolarHBondContact ND2-O 3.32Å; N386-R494 PolarHBondContact OD1-O 3.48Å; L492-R494 PolarHBondContact O-N 3.47Å; L492-R494 VanDerWaalsContact O-N 3.1Å; R494-Y496 HydrophobicContact CB-CE2 4.01Å; R494-Y496 WeakPolarHBondContact O-CD2 3.23Å; R494-Y496 PolarHBondContact O-N 3.17Å
495M28.5Very low29Very low23 Ų2370.6 Ų70.611%0.11334%0.34CS..EExtended strand (participates in β ladder)trans-71.3121.4162.3-74-165.6-171.600109.4I469 C487 L492I469-M495 HydrophobicContact CD1-SD 4.16Å; C487-M495 PolarHBondContact N-O 3.4Å; L492-M495 HydrophobicContact CD2-CE 3.81Å
496Y26.5Very low29.2Very low87 Ų8776.2 Ų76.234%0.34137%0.37SS..EExtended strand (participates in β ladder)trans-85.1148.9163.7-62.7-91.1000107.4P384 L485 V486 R494P384-Y496 WeakPolarHBondContact CD-O 3.41Å; P384-Y496 WeakPolarHBondContact CG-O 3.28Å; L485-Y496 WeakPolarHBondContact O-CA 3.09Å; V486-Y496 HydrophobicContact CG1-CE1 4.42Å; V486-Y496 HydrophobicContact CG2-CD1 3.88Å; V486-Y496 HydrophobicContact CG2-CE1 3.63Å; R494-Y496 HydrophobicContact CB-CE2 4.01Å; R494-Y496 WeakPolarHBondContact O-CD2 3.23Å; R494-Y496 PolarHBondContact O-N 3.17Å
497M30.8Very low29.4Very low4 Ų481.9 Ų81.92%0.0239%0.39CS..EExtended strand (participates in β ladder)trans-133128.6167.1-171.7176.653.500107.3F449 Y471 L485 I499F449-M497 HydrophobicContact CE1-SD 4.08Å; Y471-M497 HydrophobicContact CD1-CE 3.95Å; Y471-M497 HydrophobicContact CD2-CE 4.11Å; Y471-M497 HydrophobicContact CE1-CE 3.69Å; Y471-M497 HydrophobicContact CE2-CE 3.81Å; Y471-M497 HydrophobicContact CE2-SD 4.17Å; Y471-M497 HydrophobicContact CG-CE 4.14Å; L485-M497 HydrophobicContact CD1-CE 4Å; L485-M497 PolarHBondContact N-O 3.42Å; L485-M497 PolarHBondContact O-N 3.04Å; L485-M497 VanDerWaalsContact O-N 3.12Å; M497-I499 HydrophobicContact CE-CD1 3.18Å; M497-I499 HydrophobicContact CE-CG1 3.8Å; M497-I499 HydrophobicContact CG-CD1 4.25Å; M497-I499 HydrophobicContact CG-CG1 3.79Å; M497-I499 HydrophobicContact SD-CD1 3.69Å; M497-I499 HydrophobicContact SD-CG1 3.87Å
498V27Very low29.6Very low54 Ų5490 Ų9033%0.32742%0.423SS..EExtended strand (participates in β ladder)trans-106114.5172.5-178.60000106
499I31.7Very low29.7Very low17 Ų1790.8 Ų90.89%0.08743%0.425CS..EExtended strand (participates in β ladder)trans-115.1128174.4-52.8178.8000108.1L378 M497 L501L378-I499 HydrophobicContact CD1-CG2 4Å; L378-I499 HydrophobicContact CD2-CG2 3.66Å; L378-I499 HydrophobicContact CG-CG2 3.67Å; M497-I499 HydrophobicContact CE-CD1 3.18Å; M497-I499 HydrophobicContact CE-CG1 3.8Å; M497-I499 HydrophobicContact CG-CD1 4.25Å; M497-I499 HydrophobicContact CG-CG1 3.79Å; M497-I499 HydrophobicContact SD-CD1 3.69Å; M497-I499 HydrophobicContact SD-CG1 3.87Å; I499-L501 HydrophobicContact CB-CG 4.35Å; I499-L501 HydrophobicContact CG2-CD1 4.44Å; I499-L501 HydrophobicContact CG2-CD2 3.68Å; I499-L501 HydrophobicContact CG2-CG 3.69Å
500G27.9Very low29.7Very low26 Ų2689.8 Ų89.827%0.26843%0.432SS..EExtended strand (participates in β ladder)trans-82.9116.7159.700000109.4
501L31.1Very low30Very low32 Ų3283.9 Ų83.917%0.16841%0.414CS..EExtended strand (participates in β ladder)trans-112.9131176.9-66.7165.7000108.8L376 L378 L476 I499L376-L501 HydrophobicContact CD1-CD2 4.11Å; L378-L501 HydrophobicContact CD1-CD2 3.71Å; L378-L501 HydrophobicContact CG-CD2 3.9Å; L476-L501 HydrophobicContact CD2-CB 3.98Å; L476-L501 HydrophobicContact CD2-CD1 4.11Å; L476-L501 HydrophobicContact CD2-CD2 4.34Å; L476-L501 HydrophobicContact CD2-CG 4.36Å; I499-L501 HydrophobicContact CB-CG 4.35Å; I499-L501 HydrophobicContact CG2-CD1 4.44Å; I499-L501 HydrophobicContact CG2-CD2 3.68Å; I499-L501 HydrophobicContact CG2-CG 3.69Å
502R28.4Very low30.1Very low177 Ų17778.7 Ų78.767%0.66840%0.395SS*.EExtended strand (participates in β ladder)trans-122.3126.6165.1-169.4175.4-179.1178.50.4109D377 W379D377-R502 PolarHBondContact O-N 3.03Å; W379-R502 HydrophobicContact CH2-CB 3.36Å; W379-R502 HydrophobicContact CH2-CG 4.11Å; W379-R502 HydrophobicContact CZ2-CB 4.11Å; W379-R502 HydrophobicContact CZ3-CB 3.91Å
503S34Very low30Very low13 Ų1381.6 Ų81.69%0.09141%0.407CS..  trans-131153177.3173.80000109.7L476 A478 F505L476-S503 WeakPolarHBondContact O-CB 3.47Å; L476-S503 PolarHBondContact O-OG 3.03Å; A478-S503 VanDerWaalsContact CB-O 3.25Å; A478-S503 WeakPolarHBondContact CB-O 3.48Å; S503-F505 WeakPolarHBondContact OG-CD2 3.36Å; S503-F505 PolarHBondContact OG-N 2.87Å
504S34.8Very low30.2Very low86 Ų8679.1 Ų79.160%0.60141%0.407SS*.  trans-967-179.955.60000114.7
505F34.8Very low30.2Very low31 Ų3180.9 Ų80.914%0.13642%0.421CS..BIsolated β-bridgetrans-96.2159.6-175.1-61.4-77.6000114.5C372 G374 L441 P443 H445 L476 N477 A478 S503C372-F505 HydrophobicContact CB-CE1 4.13Å; G374-F505 VanDerWaalsContact CA-CZ 3.42Å; L441-F505 HydrophobicContact CB-CE2 4.36Å; L441-F505 WeakPolarHBondContact O-CZ 3.33Å; P443-F505 HydrophobicContact CG-CE1 4.5Å; H445-F505 AromaticContact CE1-CE2 3.95Å; L476-F505 WeakPolarHBondContact O-CB 3.48Å; N477-F505 PolarHBondContact OD1-O 3.21Å; A478-F505 VanDerWaalsContact CB-O 3.28Å; A478-F505 WeakPolarHBondContact CB-O 3.35Å; A478-F505 PolarHBondContact N-O 3.09Å; S503-F505 WeakPolarHBondContact OG-CD2 3.36Å; S503-F505 PolarHBondContact OG-N 2.87Å
506N33.5Very low30Very low152 Ų15282.8 Ų82.881%0.81344%0.441SS*.  trans-122.418.1-169.4-114.7-9.5000117.5N477N477-N506 VanDerWaalsContact CG-C 3.44Å; N477-N506 PolarHBondContact ND2-O 3.41Å; N477-N506 WeakPolarHBondContact OD1-CA 3.02Å; N477-N506 PolarHBondContact OD1-N 3.48Å
507K32.6Very low30.1Very low174 Ų17484 Ų8476%0.75746%0.457SS*.SBendtrans-118.1138.6169.2-61.3-179.4178.4-179.10118.2N477N477-K507 WeakPolarHBondContact CB-O 3.35Å; N477-K507 WeakPolarHBondContact ND2-CA 3.36Å; N477-K507 PolarHBondContact ND2-N 3.21Å; N477-K507 PolarHBondContact ND2-O 3.36Å; N477-K507 WeakPolarHBondContact OD1-CA 3.33Å; N477-K507 PolarHBondContact OD1-N 3.07Å; N477-K507 PolarHBondContact OD1-O 3.16Å
508K29.7Very low29.8Very low195 Ų19587.8 Ų87.885%0.84850%0.498SS*.  trans-40144.7-174.4-70.7177.7175.3179.40116.5N477N477-K508 PolarHBondContact ND2-N 2.94Å
509M27.9Very low29.8Very low87 Ų8789.7 Ų89.743%0.42951%0.51SS..  trans-86.6137.2-174.9-175.2179.4-120.200114.4D475 L511D475-M509 WeakPolarHBondContact O-CA 3.1Å; D475-M509 VanDerWaalsContact O-CB 3.3Å; D475-M509 WeakPolarHBondContact O-CB 3.26Å; D475-M509 VanDerWaalsContact O-CG 3.23Å; D475-M509 WeakPolarHBondContact O-CG 3.35Å; M509-L511 HydrophobicContact SD-CG 4.45Å
510A30.6Very low29.3Very low51 Ų51100.1 Ų100.142%0.42155%0.548SS..  trans-131.3115.4164.200000110.4S474 D475S474-A510 CarbonylContact C-O 3.51Å; S474-A510 WeakPolarHBondContact CB-O 3.34Å; S474-A510 PolarHBondContact OG-O 2.88Å; D475-A510 PolarHBondContact OD2-N 3.29Å
511L30.1Very low29.2Very low74 Ų74102.8 Ų102.839%0.38756%0.555SS.*  trans-85.1120.3176.7-73.8164.7000110.6M509 F513M509-L511 HydrophobicContact SD-CG 4.45Å; L511-F513 HydrophobicContact CB-CE2 4.45Å
512T30.3Very low28.7Very low85 Ų85104.4 Ų104.452%0.52158%0.58SS.*  trans-114.1122.8177.2-21.70000110.4S472 S474S472-T512 WeakPolarHBondContact CB-O 3.11Å; S472-T512 PolarHBondContact OG-O 3.5Å; S474-T512 PolarHBondContact OG-N 3.22Å; S474-T512 PolarHBondContact OG-OG1 3.38Å
513F28.6Very low28.6Very low100 Ų100100.4 Ų100.444%0.43957%0.57SS.*PPolyproline II helixtrans-96.3124.9179.4-65.9-88.6000111Y471 L485 L511 M523Y471-F513 HydrophobicContact CD1-CE1 4.35Å; L485-F513 HydrophobicContact CD2-CZ 4.16Å; L511-F513 HydrophobicContact CB-CE2 4.45Å; F513-M523 HydrophobicContact CE2-CE 4.21Å; F513-M523 HydrophobicContact CE2-SD 4.08Å; F513-M523 HydrophobicContact CZ-CE 4.32Å; F513-M523 HydrophobicContact CZ-SD 3.97Å
514G29.2Very low28Very low60 Ų60103.5 Ų103.562%0.61960%0.596SS**PPolyproline II helixtrans-84.3127.4171.900000111.7A516G514-A516 PolarHBondContact O-N 3.12Å
515Q25.8Very low27.6Very low170 Ų170106.4 Ų106.479%0.79460%0.604SS**PPolyproline II helixtrans-69.1122.8172.5-77.9-179.2-20.400110.6
516A25.7Very low27.1Very low64 Ų64115.5 Ų115.553%0.52964%0.639SS.*  trans-117.7111.6154.600000106.9G514G514-A516 PolarHBondContact O-N 3.12Å
517T27.7Very low26.7Very low111 Ų111112.9 Ų112.968%0.68163%0.632SS**SBendtrans57.297171.9580000117.1V519T517-V519 PolarHBondContact O-N 3.21Å
518G25.3Very low26.4Very low85 Ų85110.9 Ų110.988%0.87664%0.64SS**SBendtrans88.50.7137.500000121.8
519V25.3Very low26.2Very low94 Ų94104 Ų10457%0.5763%0.625SS**  trans-134.6127-176-1730000112.9T517 L521T517-V519 PolarHBondContact O-N 3.21Å; V519-L521 HydrophobicContact CG1-CD1 4.15Å
520R21.8Very low26Very low235 Ų235109 Ų10989%0.88765%0.647SS**  trans-78.6132171.5-81.4-179.5170.7177-3109.8
521L25.3Very low25.7Very low82 Ų82113.1 Ų113.143%0.42967%0.666SS.*  trans-141.5126.2167.7-122.9108.9000111.9N488 V519N488-L521 HydrophobicContact CB-CD1 3.86Å; N488-L521 HydrophobicContact CB-CD2 3.58Å; N488-L521 HydrophobicContact CB-CG 3.99Å; N488-L521 WeakPolarHBondContact O-CD1 3.38Å; V519-L521 HydrophobicContact CG1-CD1 4.15Å
522G21.7Very low25.5Very low66 Ų66117.4 Ų117.468%0.6869%0.685SS**  trans-90.9155.1171.300000111.5
523M26.1Very low25.1Very low93 Ų93123 Ų12346%0.45870%0.702SS.*  trans-138.4133.7179.8-127.9179.363.100111.3L485 F513L485-M523 HydrophobicContact CD2-CE 4.22Å; L485-M523 HydrophobicContact CD2-SD 4.31Å; F513-M523 HydrophobicContact CE2-CE 4.21Å; F513-M523 HydrophobicContact CE2-SD 4.08Å; F513-M523 HydrophobicContact CZ-CE 4.32Å; F513-M523 HydrophobicContact CZ-SD 3.97Å
524A22.3Very low25Very low78 Ų78124.9 Ų124.965%0.64572%0.715SS**  trans-98.8134.6168.700000109.1Y526A524-Y526 HydrophobicContact CB-CE2 4.3Å
525I26.4Very low25.4Very low148 Ų148131.4 Ų131.476%0.75975%0.747SS**  trans-101.2120.4176.5-58.9173.1000107.6
526Y22.9Very low25.4Very low221 Ų221129.5 Ų129.587%0.86774%0.744SS**  trans-103.7112.6168.1-75.7-85000109A524A524-Y526 HydrophobicContact CB-CE2 4.3Å
527S25.8Very low25.4Very low97 Ų97132.9 Ų132.968%0.67876%0.756SS**  trans-83.4119.8168.4165.50000109G529S527-G529 VanDerWaalsContact C-N 3.31Å; S527-G529 PolarHBondContact O-N 2.99Å
528S25.2Very low25.3Very low132 Ų132134.2 Ų134.292%0.92376%0.76SS**  trans-80.583.5162.159.80000108.5
529G25.6Very low25.3Very low51 Ų51137.1 Ų137.153%0.52675%0.753SS.*SBendtrans177.798.4179.700000111.2S527S527-G529 VanDerWaalsContact C-N 3.31Å; S527-G529 PolarHBondContact O-N 2.99Å
530Q25.1Very low25.3Very low192 Ų192139.8 Ų139.890%0.89776%0.764SS**  trans47113.8171.8-63.9-159.5-14.200118.9E532Q530-E532 PolarHBondContact O-N 3.37Å
531V23.7Very low25.5Very low137 Ų137133.4 Ų133.483%0.8376%0.756SS**  trans-65.2105.8162.4176.90000108.4
532E25.5Very low25.5Very low165 Ų165137.1 Ų137.177%0.77178%0.779SS**  trans-113.6113151.8-99-173.3164.700108.4Q530Q530-E532 PolarHBondContact O-N 3.37Å
533K22.7Very low25.8Very low201 Ų201142.5 Ų142.587%0.87479%0.787SS**  trans-72.9122.5167.8-79.7179.5172.9179.70108.4
534I26.7Very low25.8Very low140 Ų140146.7 Ų146.772%0.71881%0.814SS**  trans-136.8133.3162.8-57.8-178.3000104.6
535P37.2Very low26.1Very low198 Ų198152.9 Ų152.9100%1.28683%0.83SS**  trans-59.10-138.621.9-34.9000117.8

Retrieved 535 of 535 residues in 429.8 ms (Link to these results)