A0A3Q0KS76_SCHMA Loading...

Ris2 protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KS76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 577 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
1M35.9Very low43.6Very low231 Ų231143.5 Ų143.5100%1.13871%0.711SS**  0135.90-70.2-49.2179.200108.8
2P41.9Very low42.7Very low99 Ų99142.2 Ų142.264%0.64372%0.716SS**  -132153.6-95.738.9-27.9000117.8
3N37.8Very low42.2Very low156 Ų156139.2 Ų139.283%0.83472%0.716SS**  trans5584.5141.1-56.9-3.4000119.3
4T48.4Very low41.6Very low143 Ų143146.1 Ų146.188%0.87773%0.729SS**  trans-102121.215342.40000110.4L6T4-L6 PolarHBondContact O-N 3.21Å
5R42.4Very low41.5Very low199 Ų199144.9 Ų144.975%0.75173%0.733SS**  trans-70.2115.4-168.7-74.4174.2166.1141.8-7.6113.8D7 S8R5-D7 PolarHBondContact O-N 3.05Å; R5-S8 PolarHBondContact O-N 3.35Å; R5-S8 PolarHBondContact O-OG 2.71Å
6L46.6Very low41.1Very low101 Ų101142.7 Ų142.753%0.52973%0.731SS.*G310 helixtrans-60.1-28.1166.6-90.7162.1000113T4 S8 F9T4-L6 PolarHBondContact O-N 3.21Å; L6-S8 PolarHBondContact O-N 3.05Å; L6-F9 PolarHBondContact O-N 2.72Å; L6-F9 VanDerWaalsContact O-N 3.13Å
7D47.1Very low40.7Very low122 Ų122145.4 Ų145.465%0.65274%0.74SS**G310 helixtrans-55.5-23.6178.6-45-57.2000113.7R5 F9 F10R5-D7 PolarHBondContact O-N 3.05Å; D7-F9 PolarHBondContact O-N 2.69Å; D7-F10 PolarHBondContact O-N 3.44Å
8S48.7Very low40.6Very low83 Ų83145.9 Ų145.958%0.5875%0.745SS**G310 helixtrans-63.9-24.318060.20000113.8R5 L6R5-S8 PolarHBondContact O-N 3.35Å; R5-S8 PolarHBondContact O-OG 2.71Å; L6-S8 PolarHBondContact O-N 3.05Å
9F50.7Low40.5Very low126 Ų126144.2 Ų144.255%0.55374%0.742SS**G310 helixtrans-86.5-14.9-179.2-65.9-82.2000113.9L6 D7L6-F9 PolarHBondContact O-N 2.72Å; L6-F9 VanDerWaalsContact O-N 3.13Å; D7-F9 PolarHBondContact O-N 2.69Å
10F40.5Very low40.5Very low90 Ų90149.6 Ų149.640%0.39575%0.752SS.*  trans-113.636-173.2-64.3-80.5000113.1D7 V12 P322D7-F10 PolarHBondContact O-N 3.44Å; F10-V12 PolarHBondContact O-N 3.42Å; F10-P322 HydrophobicContact CD1-CG 4.44Å; F10-P322 HydrophobicContact CE1-CB 4.29Å; F10-P322 HydrophobicContact CE1-CG 3.55Å; F10-P322 HydrophobicContact CE2-CG 4.1Å; F10-P322 HydrophobicContact CZ-CG 3.36Å
11R39.3Very low40.4Very low229 Ų229151.8 Ų151.886%0.86476%0.757SS**  trans-72.199.9-177-158.7175.1-162.3-176.55.5112.4S13R11-S13 PolarHBondContact O-N 3.44Å
12V32.9Very low40.7Very low127 Ų127145.7 Ų145.777%0.7774%0.743SS**  trans-65.6116.3170.4177.70000110.2F10F10-V12 PolarHBondContact O-N 3.42Å
13S36.5Very low40.7Very low104 Ų104150.5 Ų150.573%0.72775%0.754SS**  trans-101.8113.7168.743.30000110.8R11R11-S13 PolarHBondContact O-N 3.44Å
14R33.9Very low41Very low236 Ų236154.7 Ų154.789%0.89176%0.758SS**  trans-87.2117168.3-67.8178.5176.1-179.4-1.3109.2
15T40Very low40.6Very low128 Ų128152.1 Ų152.179%0.78575%0.751SS**  trans-147.3153.316824.30000109.6
16P35.6Very low40.5Very low109 Ų109148.7 Ų148.771%0.70875%0.752SS**  -113.4168.9-121.838-33.4000116
17Q34.1Very low40.2Very low188 Ų188150.7 Ų150.788%0.87976%0.763SS**  trans-51.9137.2158.9-69175.6-28.200109.8
18N38.3Very low39.8Very low155 Ų155152.1 Ų152.183%0.82977%0.766SS**  trans-136.6113.1171.4-147.9-26000110.3
19V38.5Very low39.4Very low113 Ų113153.6 Ų153.669%0.68578%0.776SS**  trans-93.6127.7-172.9173.80000109.5K21V19-K21 HydrophobicContact CG1-CB 4.47Å; V19-K21 HydrophobicContact CG1-CG 4.32Å
20R41.4Very low38.9Very low252 Ų252152.9 Ų152.995%0.95179%0.787SS**  trans-107.797.3163.1-80.5-173.5168.4-178.7-3.7110.5
21K38.7Very low38.8Very low197 Ų197154.2 Ų154.286%0.85780%0.804SS**  trans-114.6132.3160-86.6-171.5174.3-177.60108.8V19V19-K21 HydrophobicContact CG1-CB 4.47Å; V19-K21 HydrophobicContact CG1-CG 4.32Å
22A41.9Very low38.7Very low102 Ų102152.6 Ų152.684%0.84381%0.806SS**  trans-156.6155.4164.300000110.1
23K42.2Very low38.8Very low200 Ų200152.8 Ų152.887%0.8781%0.808SS**  cis-167.297.4-33.6-178.8178.8177.8-1780107.8
24R42.8Very low38.8Very low244 Ų244156.5 Ų156.592%0.92181%0.814SS**  trans-163.9121.1164.2-99.6162.1-178.1167.6-0.4104.8
25A40.9Very low39Very low90 Ų90150.1 Ų150.174%0.74481%0.806SS**  cis72.1124.24300000111.8
26V40Very low38.9Very low126 Ų126149.1 Ų149.176%0.76480%0.804SS**  cis-163.3158.1-4.786.60000111.2
27L39.9Very low39.2Very low144 Ų144155.7 Ų155.775%0.75481%0.814SS**  trans57.9165.9173.7-87.176000117.9
28E38.4Very low39.9Very low152 Ų152151.9 Ų151.971%0.7181%0.809SS**  cis-172.2140.3-40.9177.2151.3-131.700111.4
29S40.2Very low41.2Very low113 Ų113154.4 Ų154.479%0.7981%0.812SS**  trans60.2164.3175.178.70000116.5
30S40.4Very low42.6Very low112 Ų112158 Ų15878%0.78381%0.813SS**  cis-146.1165.6-34.6-120.50000108
31P38.5Very low44.1Very low118 Ų118149.5 Ų149.577%0.76679%0.791SS**  trans-92.3146.4-160.635.1-35.1000115.3
32E37.5Very low45.5Very low195 Ų195143.1 Ų143.191%0.91178%0.775SS**  trans-149.5169.1146.1-132.4167.9-131.900112.8
33T34.9Very low47.4Very low131 Ų131146.2 Ų146.280%0.80477%0.766SS**  trans-72.7133.4-158.7-54.50000115.3
34E36.1Very low49.1Very low181 Ų181140.7 Ų140.785%0.84674%0.744SS**  trans-167.1146130.8-118.1-170.8-164.100118.5
35S39.5Very low50.6Low103 Ų103137.4 Ų137.472%0.7273%0.731SS**  trans52.8130.5145.7-151.10000123.3
36S36.2Very low52.3Low106 Ų106138.7 Ų138.774%0.74172%0.72SS**  trans-72143.9179.360.40000115.1
37R42.2Very low53.9Low247 Ų247136 Ų13693%0.93271%0.707SS**  trans-124.198158.1-76.9-173173.2-174.7-0.6111.7
38S50.2Low55.6Low109 Ų109135.4 Ų135.476%0.76270%0.7SS**  trans-69.4145.4168.858.70000111.1R40S38-R40 PolarHBondContact O-N 2.83Å
39K64Low57.1Low208 Ų208134 Ų13490%0.90470%0.697SS**  trans-77.5110.9-177.5-67174-178.1171.50109.8
40R69.7Low58.2Low188 Ų188133.9 Ų133.971%0.70969%0.691SS**  trans-59.4140.5177.2-70.6-176.8179.3-173.50.6111.6S38S38-R40 PolarHBondContact O-N 2.83Å
41P71.4Confident58.8Low73 Ų73136.8 Ų136.847%0.47469%0.69SS.*  trans-59.5156.2178.9-25.235.1000114Y43 Q44P41-Y43 VanDerWaalsContact C-N 3.31Å; P41-Y43 HydrophobicContact CB-CD1 3.85Å; P41-Y43 HydrophobicContact CB-CE1 3.8Å; P41-Y43 HydrophobicContact CG-CE1 4.25Å; P41-Y43 PolarHBondContact O-N 3.4Å; P41-Q44 PolarHBondContact O-N 3.46Å; P41-Q44 VanDerWaalsContact O-N 3.11Å
42A69.1Low59.2Low64 Ų64137 Ų13753%0.52969%0.691SS.*Hα-helixtrans-56.2-37.1-17100000114.6Q44 R45 F46A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 2.9Å; A42-R45 WeakPolarHBondContact O-CB 3.33Å; A42-R45 PolarHBondContact O-N 3.25Å; A42-F46 VanDerWaalsContact O-CD2 3.29Å; A42-F46 WeakPolarHBondContact O-CD2 3.38Å; A42-F46 PolarHBondContact O-N 3.04Å
43Y81.9Confident59.5Low166 Ų166133.4 Ų133.465%0.65168%0.683SS**Hα-helixtrans-62-33.3-179.478.2-87.1000113P41 R45 F46 S47P41-Y43 VanDerWaalsContact C-N 3.31Å; P41-Y43 HydrophobicContact CB-CD1 3.85Å; P41-Y43 HydrophobicContact CB-CE1 3.8Å; P41-Y43 HydrophobicContact CG-CE1 4.25Å; P41-Y43 PolarHBondContact O-N 3.4Å; Y43-R45 VanDerWaalsContact C-N 3.29Å; Y43-R45 PolarHBondContact O-N 2.99Å; Y43-F46 PolarHBondContact O-N 3.31Å; Y43-S47 PolarHBondContact O-N 2.84Å
44Q78.1Confident59.8Low85 Ų85136.2 Ų136.240%0.39769%0.687SS.*Hα-helixtrans-76-13.9173.8-69.9-172.5-18.300113.5P41 A42P41-Q44 PolarHBondContact O-N 3.46Å; P41-Q44 VanDerWaalsContact O-N 3.11Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 2.9Å
45R73.6Confident60.1Low174 Ų174136.4 Ų136.466%0.65769%0.688SS**Hα-helixtrans-84.6-17.4174.7-69.4-174.963.8-177.4-1.7113.2A42 Y43 H48A42-R45 WeakPolarHBondContact O-CB 3.33Å; A42-R45 PolarHBondContact O-N 3.25Å; Y43-R45 VanDerWaalsContact C-N 3.29Å; Y43-R45 PolarHBondContact O-N 2.99Å; R45-H48 PolarHBondContact O-CE1 3.36Å
46F76.3Confident60.3Low117 Ų117136.9 Ų136.951%0.51369%0.691SS.*Hα-helixtrans-1244.3-173.3-61.4-63.9000114.5A42 Y43 H48 L49A42-F46 VanDerWaalsContact O-CD2 3.29Å; A42-F46 WeakPolarHBondContact O-CD2 3.38Å; A42-F46 PolarHBondContact O-N 3.04Å; Y43-F46 PolarHBondContact O-N 3.31Å; F46-H48 PolarHBondContact O-N 3.45Å; F46-L49 HydrophobicContact CB-CD1 4.4Å; F46-L49 HydrophobicContact CD1-CD1 3.91Å; F46-L49 WeakPolarHBondContact O-CB 3.06Å; F46-L49 PolarHBondContact O-N 3.49Å
47S74.1Confident60.4Low69 Ų69138 Ų13848%0.48369%0.694SS.*THydrogen-bonded Turntrans-64.8-2.6-178.661.30000115.7Y43Y43-S47 PolarHBondContact O-N 2.84Å
48H75.9Confident60.6Low132 Ų132131.4 Ų131.461%0.61168%0.683SS**THydrogen-bonded Turntrans-89.3-14.9170.956.7-96.1000112.9R45 F46 T50R45-H48 PolarHBondContact O-CE1 3.36Å; F46-H48 PolarHBondContact O-N 3.45Å; H48-T50 VanDerWaalsContact C-N 3.31Å
49L69.3Low60Low123 Ų123135.1 Ų135.164%0.64469%0.688SS**SBendtrans-884178.3-58.9177000113.2F46F46-L49 HydrophobicContact CB-CD1 4.4Å; F46-L49 HydrophobicContact CD1-CD1 3.91Å; F46-L49 WeakPolarHBondContact O-CB 3.06Å; F46-L49 PolarHBondContact O-N 3.49Å
50T64.1Low58.8Low111 Ų111129.2 Ų129.268%0.68168%0.678SS**SBendtrans-132.530.7-170.965.60000112.8H48H48-T50 VanDerWaalsContact C-N 3.31Å
51K52.2Low57.4Low173 Ų173128.7 Ų128.775%0.75268%0.683SS**  trans-120.6124.8169.3-75.3-166.3171.5-165.50109.3
52P47.2Very low55.7Low121 Ų121131.2 Ų131.279%0.78670%0.698SS**  trans-63.5140.5160.9-15.530.5000109.4
53T43.1Very low54.3Low120 Ų120134.1 Ų134.174%0.73671%0.709SS**  trans-85.9115.2164.3-56.10000107.7E55T53-E55 HydrophobicContact CG2-CB 4.35Å
54E41.6Very low52.2Low191 Ų191135.2 Ų135.289%0.89372%0.717SS**  trans-87.8127.1159.5-68178.3174.100107.3
55E42.9Very low50.4Low185 Ų185135.3 Ų135.386%0.86473%0.727SS**  trans-138.1144.3176.1-159.3158.3-126.100108.7T53T53-E55 HydrophobicContact CG2-CB 4.35Å
56S43.8Very low48.8Very low113 Ų113133.9 Ų133.979%0.7973%0.732SS**  trans-94.7142.2-152.7510000115.5
57T37.1Very low46.9Very low130 Ų130135.3 Ų135.380%0.79875%0.745SS**  trans-75.1177.9160.452.50000110.5
58P46.7Very low45.3Very low108 Ų108137.7 Ų137.770%0.70176%0.756SS**  cis-143.5-153.718.939.1-14.2000116.2
59E38.2Very low43.6Very low186 Ų186140.8 Ų140.887%0.86977%0.768SS**  trans83.4140171.3-56.4-173.8172.700117.6
60A39.2Very low42.2Very low84 Ų84140.3 Ų140.369%0.69478%0.775SS**  cis-162.9174.2-22.700000110.3
61E39.3Very low41.1Very low177 Ų177141.2 Ų141.283%0.82778%0.776SS**  trans65106.8165.8-53.1-164.8156.700117.5
62T36.1Very low40.7Very low126 Ų126144.5 Ų144.577%0.77378%0.784SS**  60.3132.279.966.90000113.3
63V39.7Very low40.4Very low126 Ų126147.2 Ų147.276%0.76479%0.786SS**  -158.6144.756.7167.60000113
64K37.8Very low40.3Very low189 Ų189147.3 Ų147.382%0.82279%0.791SS**  trans-5.7160.8145.7-67.9171.2-177176.20120.3
65S39.4Very low40.2Very low86 Ų86146.9 Ų146.960%0.60179%0.789SS**  cis-177-174.4-6.151.90000112.2
66N40Very low40Very low144 Ų144145.9 Ų145.977%0.7779%0.788SS**  trans87.8152.1160-51.2-11.6000118.3
67D37.2Very low39.6Very low148 Ų148147.5 Ų147.579%0.79179%0.787SS**  cis-169.6-178-35-157.1-12.1000109.7
68V41.4Very low39.6Very low118 Ų118149.2 Ų149.272%0.71579%0.79SS**  trans91.291.7159.2-161.40000120.9
69K38.6Very low39Very low197 Ų197148.8 Ų148.886%0.85779%0.789SS**  trans14.7136132.7-62.4176.1176.3176.80122.7
70S40.4Very low38.6Very low113 Ų113145.8 Ų145.879%0.7979%0.788SS**  177.4101.5111.6-173.50000109.5
71D40.6Very low38.4Very low130 Ų130147.1 Ų147.170%0.69579%0.793SS**  69.110377-170.724.4000115.9
72R45Very low38.1Very low243 Ų243146.5 Ų146.592%0.91779%0.794SS**  -167.2161.9129.3-108.1174.4-177.8-173.6-0112.4
73Q40.4Very low38.1Very low178 Ų178146.6 Ų146.683%0.83280%0.799SS**  trans-113.8147.4-161.5-55157.8-41.900113.2
74S41.2Very low38.1Very low121 Ų121145.9 Ų145.985%0.84680%0.797SS**  -169152.8127.943.10000113.1
75E38.6Very low38.4Very low182 Ų182142.4 Ų142.485%0.8579%0.794SS**  trans-53.1159.8-173.3-63.1157.1156.200114.3
76I38.9Very low38.8Very low164 Ų164144.6 Ų144.684%0.84181%0.806SS**  -146.9143.151.4-75.6166.3000112.6
77L35.1Very low38.6Very low148 Ų148145.2 Ų145.278%0.77580%0.804SS**  trans-80.2159.6173.2-64.9167.7000110.5
78I37.5Very low38.7Very low166 Ų166147.1 Ų147.185%0.85181%0.808SS**  -157.9147.565.6-80168.4000110.6
79S34.5Very low38.4Very low99 Ų99148.8 Ų148.869%0.69281%0.806SS**  trans-75.6158.7-171.7-45.60000115.6
80S30.4Very low38.2Very low122 Ų122145.3 Ų145.385%0.85380%0.801SS**  trans-60142.5156.241.50000111.8
81S35.2Very low38Very low113 Ų113146.1 Ų146.179%0.7980%0.795SS**  trans-150.6151.2169.8-169.50000111.3
82L32.7Very low37.9Very low163 Ų163146.7 Ų146.785%0.85380%0.797SS**  trans-85146.3179.4-81.259000110.6
83C34.8Very low37.3Very low128 Ų128142.7 Ų142.787%0.86579%0.788SS**  trans-119.1119.6165.2-76.20000110.7
84P41.3Very low37.2Very low112 Ų112142 Ų14273%0.72779%0.789SS**PPolyproline II helixtrans-83.6164.6171.134.8-34.2000112
85P42.8Very low36.9Very low116 Ų116145.2 Ų145.275%0.75379%0.788SS**PPolyproline II helixtrans-80.2148.7-179.832.7-35.5000112.9
86P48.7Very low36.8Very low131 Ų131146.9 Ų146.985%0.85179%0.792SS**PPolyproline II helixtrans-73.4136.4174.730.2-33.9000111.8
87Q35.6Very low36.4Very low157 Ų157149.5 Ų149.573%0.73479%0.792SS**  trans-104.6130160.7-65.3-175.120.400108.6K89Q87-K89 VanDerWaalsContact OE1-CE 3.25Å
88E38.2Very low36.5Very low188 Ų188149.2 Ų149.288%0.87980%0.796SS**  trans-129134.3162.7-166.4164.1-146.500109.4
89K35.4Very low36.6Very low153 Ų153148.6 Ų148.667%0.66579%0.79SS**  trans-131.2101.1-171.1-69172.6-173.7155.20109.9Q87Q87-K89 VanDerWaalsContact OE1-CE 3.25Å
90T35.9Very low36.5Very low124 Ų124149.4 Ų149.476%0.76179%0.793SS**  trans-101.497.7171.2-54.40000109.6
91I35.3Very low36.9Very low131 Ų131153.9 Ų153.967%0.67280%0.797SS**  trans-89.7122.7177.1-60.8173.1000108.9
92I38.2Very low37Very low142 Ų142158 Ų15873%0.72880%0.8SS**  trans-116.3105.5166.7-60.5-179000108.7
93H32.6Very low36.8Very low159 Ų159156.1 Ų156.174%0.73680%0.796SS**  trans-80.5130.5171.5-85.8-79.8000110.9
94L38.3Very low36.8Very low163 Ų163156.5 Ų156.585%0.85379%0.794SS**  trans-141.693160.2-108.8159.5000111
95K34.5Very low36.3Very low189 Ų189160.4 Ų160.482%0.82280%0.8SS**  trans-73.7130167.6-76.9175.6175.3170.70109.6
96K36.2Very low35.9Very low216 Ų216162.9 Ų162.994%0.93981%0.806SS**  trans-154.1154.8135.7-116.3163.9-174.3174.70112.2
97R31.2Very low35.2Very low219 Ų219165.8 Ų165.883%0.82681%0.805SS**  trans-135.2122.5-162.7160.7-168.3171.7-169.8-0.4108.2
98T36.7Very low34.9Very low142 Ų142163.2 Ų163.287%0.87180%0.804SS**  trans-147.2154169-23.80000111
99Q40.3Very low34.8Very low153 Ų153160.2 Ų160.272%0.71580%0.804SS**  trans-88.6156.3-165.1-61.9-73.722.300113.8
100P32.8Very low34.8Very low117 Ų117162.5 Ų162.576%0.7682%0.817SS**  trans-74154.2169.332.3-35.5000112.4
101K38.2Very low34.8Very low216 Ų216162.3 Ų162.394%0.93982%0.821SS**  trans-123.7155168.7-94.3-172.1174.4-177.60111.9
102K36.6Very low34.7Very low198 Ų198161.5 Ų161.586%0.86183%0.827SS**  trans-81.8144-168.1-71.7179.9175.7178.10114
103V30.1Very low34.8Very low125 Ų125162.6 Ų162.676%0.75883%0.834SS**  34125.2127.3-172.10000118.7
104T34.8Very low34.9Very low135 Ų135162.8 Ų162.883%0.82884%0.84SS**  trans-149.4150.9130.4-73.70000108.8
105K29.8Very low35Very low195 Ų195162.7 Ų162.785%0.84884%0.839SS**  trans-130.7130.8-170-179.7-176-176-179.60108.6
106L34.5Very low35.1Very low168 Ų168161.6 Ų161.688%0.8883%0.834SS**  trans-126146.4178-89.6167.5000112.8
107K34.5Very low35.2Very low192 Ų192157.1 Ų157.184%0.83582%0.816SS**  trans-77.7137.9175.4-88.5-174172.7-178.50109.3
108S29.5Very low35.4Very low102 Ų102153 Ų15371%0.71381%0.811SS**  71.2109.364.690.60000114.7
109S35.7Very low35.7Very low126 Ų126152.4 Ų152.488%0.88181%0.812SS**  trans-153.7143.6154.647.10000108.8
110Q34.2Very low35.9Very low201 Ų201150.6 Ų150.694%0.93982%0.816SS**  trans-100.6151173.7-68.2169.7-50.700109.3
111S36.7Very low37.3Very low120 Ų120153.2 Ų153.284%0.83982%0.816SS**  trans-142.9125.9158.853.60000107.8
112S33.8Very low38.6Very low114 Ų114146.4 Ų146.480%0.79779%0.794SS**  trans-109.7129.6-176.453.50000110.4
113D40.5Very low39.9Very low164 Ų164140.9 Ų140.988%0.87778%0.778SS**  trans-123.4135.2165.7-78.6-60.4000110.2
114L34.8Very low41.3Very low163 Ų163137.8 Ų137.885%0.85377%0.766SS**  trans-100.8143.7169.1-71.8160.8000107.8
115I38.5Very low43.3Very low162 Ų162138.7 Ų138.783%0.83176%0.758SS**  trans-173148.1137.8-100.8152.5000112.5
116K37.6Very low45.4Very low165 Ų165136.5 Ų136.572%0.71775%0.749SS**  trans-29.5162.3161.3-66.6161.9160.6-99.90116.3
117E37.7Very low47Very low123 Ų123135.2 Ų135.258%0.57573%0.732SS**  cis-163.9173.62.3-123165.8-12700112.4
118N35.8Very low48.7Very low133 Ų133132 Ų13271%0.71172%0.718SS**  trans41.8107.4147.7-56-25.4000121.1
119S43.6Very low50.5Low128 Ų128129.9 Ų129.990%0.89571%0.707SS**  -166.2155.3113.750.60000111.9
120S44.2Very low52.1Low115 Ų115129.9 Ų129.980%0.80469%0.693SS**  trans-89.9115.3-165.747.10000114.5
121K61.8Low53.4Low172 Ų172126.4 Ų126.475%0.74868%0.68SS**  trans-156.1129.4150.2-94.5124.7-171.9173.60109.2
122P65.8Low54.4Low74 Ų74125 Ų12548%0.48168%0.676SS.*  trans-68.5149.5173.928.9-34.1000110.9K126 R127P122-K126 HydrophobicContact CB-CB 4.33Å; P122-R127 HydrophobicContact CG-CG 4.09Å
123P64Low55.2Low82 Ų82126.6 Ų126.653%0.53267%0.67SS.*  trans-56.8150.7177.9-25.834.8000112.9F125 K126P123-F125 HydrophobicContact CB-CD1 3.85Å; P123-F125 HydrophobicContact CB-CE1 3.79Å; P123-F125 HydrophobicContact CG-CE1 4.29Å; P123-F125 PolarHBondContact O-N 3.42Å; P123-K126 PolarHBondContact O-N 3.22Å
124A59.7Low55.5Low60 Ų60124.4 Ų124.450%0.49667%0.666SS.*Hα-helixtrans-52.5-36-167.900000114.6K126 R127 F128A124-K126 VanDerWaalsContact C-N 3.27Å; A124-K126 PolarHBondContact O-N 2.94Å; A124-R127 WeakPolarHBondContact O-CA 3.27Å; A124-R127 WeakPolarHBondContact O-CB 3.49Å; A124-R127 PolarHBondContact O-N 3.31Å; A124-F128 HydrophobicContact CB-CD2 4.47Å; A124-F128 HydrophobicContact CB-CE2 4.39Å; A124-F128 VanDerWaalsContact O-CD2 3.29Å; A124-F128 WeakPolarHBondContact O-CD2 3.34Å; A124-F128 PolarHBondContact O-N 2.83Å
125F76.5Confident55.8Low153 Ų153123.4 Ų123.467%0.67167%0.666SS**Hα-helixtrans-59.5-33.8179.478-90.4000113.4P123 R127 A129P123-F125 HydrophobicContact CB-CD1 3.85Å; P123-F125 HydrophobicContact CB-CE1 3.79Å; P123-F125 HydrophobicContact CG-CE1 4.29Å; P123-F125 PolarHBondContact O-N 3.42Å; F125-R127 VanDerWaalsContact C-N 3.34Å; F125-A129 PolarHBondContact O-N 3.45Å
126K73.4Confident55.9Low150 Ų150120.4 Ų120.465%0.65266%0.659SS**Hα-helixtrans-75.7-20.2173.4-74.9-163.5173.3-171.80113.3P122 P123 A124P122-K126 HydrophobicContact CB-CB 4.33Å; P123-K126 PolarHBondContact O-N 3.22Å; A124-K126 VanDerWaalsContact C-N 3.27Å; A124-K126 PolarHBondContact O-N 2.94Å
127R68.2Low55.8Low141 Ų141117.9 Ų117.953%0.53266%0.662SS.*Hα-helixtrans-82.2-20.1179.4-59.9-175.175-175.41113P122 A124 F125 H130P122-R127 HydrophobicContact CG-CG 4.09Å; A124-R127 WeakPolarHBondContact O-CA 3.27Å; A124-R127 WeakPolarHBondContact O-CB 3.49Å; A124-R127 PolarHBondContact O-N 3.31Å; F125-R127 VanDerWaalsContact C-N 3.34Å; R127-H130 PolarHBondContact O-CE1 3.41Å; R127-H130 PolarHBondContact O-ND1 2.94Å
128F69.8Low55.8Low123 Ų123120.2 Ų120.254%0.53968%0.678SS.*SBendtrans-119.58.3-174.9-60.9-62.8000114.9A124 H130 L131A124-F128 HydrophobicContact CB-CD2 4.47Å; A124-F128 HydrophobicContact CB-CE2 4.39Å; A124-F128 VanDerWaalsContact O-CD2 3.29Å; A124-F128 WeakPolarHBondContact O-CD2 3.34Å; A124-F128 PolarHBondContact O-N 2.83Å; F128-H130 PolarHBondContact O-N 2.93Å; F128-H130 VanDerWaalsContact O-N 3.17Å; F128-L131 HydrophobicContact CB-CD1 4.34Å; F128-L131 HydrophobicContact CD1-CD1 3.87Å; F128-L131 WeakPolarHBondContact O-CB 3.4Å; F128-L131 PolarHBondContact O-N 3.41Å
129A68.6Low55.6Low58 Ų58123.3 Ų123.348%0.47969%0.685SS.*G310 helixtrans-54.4-36.1-179.900000113.3F125 L131 A132F125-A129 PolarHBondContact O-N 3.45Å; A129-L131 PolarHBondContact O-N 2.98Å; A129-L131 VanDerWaalsContact O-N 3.1Å; A129-A132 PolarHBondContact O-N 3.06Å; A129-A132 VanDerWaalsContact O-N 3.09Å
130H68.4Low55.2Low127 Ų127123.2 Ų123.259%0.58868%0.681SS**G310 helixtrans-65-8.6177.364.8-97.1000114.9R127 F128R127-H130 PolarHBondContact O-CE1 3.41Å; R127-H130 PolarHBondContact O-ND1 2.94Å; F128-H130 PolarHBondContact O-N 2.93Å; F128-H130 VanDerWaalsContact O-N 3.17Å
131L61.2Low54.7Low128 Ų128126 Ų12667%0.6768%0.682SS**G310 helixtrans-94.1-1.2175.1-58.6178.8000113.1F128 A129F128-L131 HydrophobicContact CB-CD1 4.34Å; F128-L131 HydrophobicContact CD1-CD1 3.87Å; F128-L131 WeakPolarHBondContact O-CB 3.4Å; F128-L131 PolarHBondContact O-N 3.41Å; A129-L131 PolarHBondContact O-N 2.98Å; A129-L131 VanDerWaalsContact O-N 3.1Å
132A57.9Low53.7Low89 Ų89126.3 Ų126.374%0.73669%0.69SS**SBendtrans-108.2-5.5-178.200000114A129A129-A132 PolarHBondContact O-N 3.06Å; A129-A132 VanDerWaalsContact O-N 3.09Å
133E50.4Low52.4Low148 Ų148129 Ų12969%0.69270%0.699SS**SBendtrans-94.2134.9-179.6-66.5-175.2167.200111.6V135E133-V135 PolarHBondContact O-N 3.45Å
134P48.4Very low51.2Low119 Ų119133.1 Ų133.177%0.77371%0.712SS**  trans-74.9108.2178.829.6-32.9000110.4S136P134-S136 PolarHBondContact O-N 2.86Å
135V40Very low50.1Low141 Ų141135.9 Ų135.986%0.85573%0.725SS**  trans-60.8103-178.1-178.80000111.2E133E133-V135 PolarHBondContact O-N 3.45Å
136S41.4Very low48Very low99 Ų99137.2 Ų137.269%0.69273%0.733SS**  trans-108.4140.5161-67.60000109.1P134P134-S136 PolarHBondContact O-N 2.86Å
137S35Very low46Very low112 Ų112137 Ų13778%0.78374%0.744SS**  trans53.7111.3176.755.30000117.5
138L38.4Very low44.3Very low172 Ų172135.1 Ų135.190%0.90175%0.753SS**  -170.7135.9119.9-99.3167.3000109.8
139K30.1Very low42.9Very low198 Ų198137.3 Ų137.386%0.86177%0.768SS**PPolyproline II helixtrans-97.5142.6170.8-80.3-175.5174.5-177.70109.9
140P36.6Very low41Very low127 Ų127141.5 Ų141.583%0.82578%0.778SS**PPolyproline II helixtrans-101.9157.4143.1-10.729.7000111.6
141Q32.5Very low39.3Very low173 Ų173141.6 Ų141.681%0.80879%0.788SS**PPolyproline II helixtrans-97.1152.8174.4-66.7168.6-4500111.2
142L40.4Very low38Very low178 Ų178142.8 Ų142.893%0.93279%0.79SS**  trans-149.5152.7148.1-114.2163.3000107.5
143I39.6Very low36.9Very low130 Ų130143.5 Ų143.567%0.66779%0.789SS**  trans-130.9154.7-150.9-39.1-180000111.1
144E39.6Very low36.1Very low170 Ų170142.8 Ų142.879%0.79480%0.795SS**  trans90.7146.6161.5-62-159.2-171.400119.7
145P36.3Very low35.5Very low118 Ų118142.8 Ų142.877%0.76679%0.792SS**  cis-128177.6-28.431.7-13000113.4
146E31.4Very low35.2Very low181 Ų181140.5 Ų140.585%0.84678%0.783SS**  trans-89.6144.4-169.7-53.6-173156.900114.4
147T32.1Very low34.9Very low146 Ų146141.6 Ų141.690%0.89679%0.79SS**  trans-139.1132.8142.4-52.60000108.7
148S32.8Very low34.9Very low101 Ų101144.3 Ų144.371%0.70679%0.788SS**  trans-74.9146.9-167.2-37.60000115.1
149I38.8Very low34.9Very low168 Ų168143.6 Ų143.686%0.86279%0.785SS**  trans-155137.5133.1-100150.1000108.2
150E29.5Very low35.6Very low147 Ų147140.8 Ų140.869%0.68778%0.779SS**  trans-98.2125.3-170.6-180178.5-168.200111.8Q152E150-Q152 HydrophobicContact CG-CG 4.34Å; E150-Q152 PolarHBondContact OE1-NE2 2.84Å
151T33.3Very low35.6Very low129 Ų129141.3 Ų141.379%0.79178%0.775SS**  trans-143.3105.1157.8-55.10000109.5
152Q33.9Very low36Very low153 Ų153135.9 Ų135.972%0.71575%0.751SS**  trans-79.8128.8177.4-55.4-177.92400110.5E150E150-Q152 HydrophobicContact CG-CG 4.34Å; E150-Q152 PolarHBondContact OE1-NE2 2.84Å
153S34.6Very low35.9Very low104 Ų104132.1 Ų132.173%0.72774%0.735SS**  trans-13484.6173.4-171.90000110.7
154V33.5Very low35.8Very low132 Ų132133 Ų13380%0.874%0.737SS**  trans-102.585.1177.2-176.80000109.1S156V154-S156 PolarHBondContact O-N 3.5Å
155V35.4Very low35.6Very low119 Ų119128.1 Ų128.172%0.72172%0.718SS**  trans-82.496.2173.1-177.60000109S157V155-S157 PolarHBondContact O-N 3.47Å
156S33Very low36Very low94 Ų94127 Ų12766%0.65771%0.706SS**  trans-69.9108.3176.5-1770000111.1V154 K158V154-S156 PolarHBondContact O-N 3.5Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 3.26Å
157S35.1Very low37Very low121 Ų121121.7 Ų121.785%0.84669%0.689SS**  trans-76.873.1177.8-62.30000112.5V155V155-S157 PolarHBondContact O-N 3.47Å
158K37Very low38.3Very low169 Ų169120.2 Ų120.274%0.73568%0.68SS**  trans-136161.4167.9-67.7-172.5178.7178.20110.8S156S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 3.26Å
159D37.5Very low39.7Very low158 Ų158116.3 Ų116.385%0.84565%0.652SS**  trans64.866.5169.7-48.7-20.3000117
160L44.8Very low40.8Very low138 Ų138109.4 Ų109.472%0.72362%0.618SS**  trans-124.260.3158.4-164.274.5000111.2L162 P233L160-L162 HydrophobicContact CD2-CD1 4.04Å; L160-L162 HydrophobicContact CG-CD1 4.11Å; L160-L162 HydrophobicContact CG-CG 4.48Å; L160-L162 PolarHBondContact O-N 3.48Å; L160-P233 HydrophobicContact CD2-CG 4.44Å
161D36.8Very low42.4Very low139 Ų139108.5 Ų108.574%0.74362%0.623SS**  trans-74.989.3-176.7-148.3-12.2000111.1T163D161-T163 VanDerWaalsContact C-N 3.29Å; D161-T163 PolarHBondContact O-N 3.36Å
162L40.7Very low44.5Very low59 Ų59105.4 Ų105.431%0.30962%0.616SS.*  trans-91.739.3-169.5-109.1169.1000113.3L160 P233L160-L162 HydrophobicContact CD2-CD1 4.04Å; L160-L162 HydrophobicContact CG-CD1 4.11Å; L160-L162 HydrophobicContact CG-CG 4.48Å; L160-L162 PolarHBondContact O-N 3.48Å; L162-P233 HydrophobicContact CD1-CG 4.19Å
163T37.3Very low47Very low99 Ų9998.6 Ų98.661%0.60759%0.585SS**SBendtrans-94.4116.6179.852.90000112.4D161 T165D161-T163 VanDerWaalsContact C-N 3.29Å; D161-T163 PolarHBondContact O-N 3.36Å; T163-T165 PolarHBondContact O-N 2.87Å; T163-T165 VanDerWaalsContact O-N 3.11Å
164Q37.7Very low49.6Very low149 Ų14997.9 Ų97.970%0.69658%0.576SS**  trans32.663160.4-160.4-175.3-34.900118D166Q164-D166 PolarHBondContact O-N 2.88Å; Q164-D166 VanDerWaalsContact O-N 3.1Å
165T36.4Very low52.3Low66 Ų6691.9 Ų91.941%0.40554%0.539SS..  trans-78.797.1168.356.30000111.6T163 S167 R293T163-T165 PolarHBondContact O-N 2.87Å; T163-T165 VanDerWaalsContact O-N 3.11Å; T165-S167 PolarHBondContact O-N 3.18Å; T165-R293 PolarHBondContact O-NH1 2.96Å; T165-R293 VanDerWaalsContact OG1-CZ 3.3Å; T165-R293 PolarHBondContact OG1-NH1 2.7Å; T165-R293 PolarHBondContact OG1-NH2 3.23Å
166D44.8Very low55.1Low94 Ų9486.2 Ų86.250%0.50351%0.505SS..  trans-75.323164.6-104.1-50.8000112.2Q164 K269Q164-D166 PolarHBondContact O-N 2.88Å; Q164-D166 VanDerWaalsContact O-N 3.1Å; D166-K269 WeakPolarHBondContact OD1-CE 3.32Å; D166-K269 IonicContact OD1-NZ 3.28Å; D166-K269 PolarHBondContact OD1-NZ 2.95Å; D166-K269 WeakPolarHBondContact OD2-CE 3.38Å; D166-K269 IonicContact OD2-NZ 3.36Å; D166-K269 PolarHBondContact OD2-NZ 2.78Å
167S52.4Low57.8Low71 Ų7185.7 Ų85.750%0.49749%0.492SS..  trans-73.2133.6-173.855.30000112.6T165 V169T165-S167 PolarHBondContact O-N 3.18Å; S167-V169 VanDerWaalsContact C-N 3.32Å; S167-V169 PolarHBondContact O-N 3.46Å
168T58.9Low60.5Low115 Ų11582.5 Ų82.571%0.70647%0.465SS*.  trans-79.573.8-175.4540000111.7
169V61.4Low63.3Low18 Ų1874.6 Ų74.611%0.10943%0.431CS..  trans-63129.2176.41790000110.5S167 T171 I299S167-V169 VanDerWaalsContact C-N 3.32Å; S167-V169 PolarHBondContact O-N 3.46Å; V169-T171 PolarHBondContact O-N 3.15Å; V169-I299 HydrophobicContact CG1-CB 3.89Å; V169-I299 HydrophobicContact CG1-CG2 3.46Å; V169-I299 VanDerWaalsContact CG1-CG2 3.46Å
170P63.1Low65.9Low24 Ų2472.2 Ų72.216%0.15641%0.41CS..  trans-61.6107.9-178.5-2736.5000113.8G172 L173 D324 L327P170-G172 PolarHBondContact O-N 2.91Å; P170-L173 HydrophobicContact CB-CD1 4.07Å; P170-L173 HydrophobicContact CB-CG 4.24Å; P170-L173 HydrophobicContact CG-CD1 4.46Å; P170-D324 WeakPolarHBondContact CG-O 3.28Å; P170-L327 VanDerWaalsContact CB-O 3.26Å; P170-L327 WeakPolarHBondContact CB-O 3.17Å; P170-L327 VanDerWaalsContact CG-O 3.31Å; P170-L327 WeakPolarHBondContact CG-O 3.48Å
171T63.3Low68.2Low128 Ų12866.9 Ų66.979%0.78538%0.384SS*.THydrogen-bonded Turntrans-74.69.2-176.563.30000115V169V169-T171 PolarHBondContact O-N 3.15Å
172G77.4Confident71.1Confident64 Ų6460.6 Ų60.666%0.6635%0.35SS*.THydrogen-bonded Turntrans-110.30.2-178.900000114.8P170P170-G172 PolarHBondContact O-N 2.91Å
173L86.2Confident73.7Confident9 Ų959.3 Ų59.35%0.04734%0.343CS..SBendtrans-78.9137.9178-70.4171.7000110.9P170 I299 L303 L327 W330P170-L173 HydrophobicContact CB-CD1 4.07Å; P170-L173 HydrophobicContact CB-CG 4.24Å; P170-L173 HydrophobicContact CG-CD1 4.46Å; L173-I299 HydrophobicContact CB-CD1 3.87Å; L173-I299 HydrophobicContact CD1-CG2 4.04Å; L173-L303 HydrophobicContact CD1-CD2 4.41Å; L173-L327 HydrophobicContact CD1-CD2 4.3Å; L173-L327 HydrophobicContact CD2-CD2 4.44Å; L173-L327 HydrophobicContact CD2-CG 4.39Å; L173-W330 HydrophobicContact CB-CZ2 3.87Å; L173-W330 HydrophobicContact CD1-CH2 3.92Å; L173-W330 HydrophobicContact CD1-CZ2 4.04Å; L173-W330 HydrophobicContact CD1-CZ3 4.4Å; L173-W330 HydrophobicContact CD2-CD2 4.19Å; L173-W330 HydrophobicContact CD2-CZ2 4.32Å; L173-W330 HydrophobicContact CG-CZ2 4.3Å
174V89.2Confident76.4Confident89 Ų8957.6 Ų57.654%0.53933%0.328SS..PPolyproline II helixtrans-80.6126.3-178.7-179.80000110.1W330 L336V174-W330 PolarHBondContact O-NE1 3.03Å; V174-L336 HydrophobicContact CB-CD2 4.46Å; V174-L336 HydrophobicContact CG1-CD2 4.23Å
175L91Very high79.3Confident6 Ų650.6 Ų50.63%0.03130%0.296CS..PPolyproline II helixtrans-78.4147.6172.2-79.2169.5000111.7L179 R180 L183 L298 I299 V302L175-L179 HydrophobicContact CB-CB 4.4Å; L175-L179 HydrophobicContact CD2-CB 4.09Å; L175-L179 HydrophobicContact CD2-CD1 4.04Å; L175-R180 HydrophobicContact CB-CG 3.67Å; L175-R180 WeakPolarHBondContact O-CD 3.29Å; L175-R180 PolarHBondContact O-NE 3.11Å; L175-L183 HydrophobicContact CD1-CD2 3.99Å; L175-L298 HydrophobicContact CD1-CB 4.25Å; L175-L298 HydrophobicContact CD1-CD1 4.17Å; L175-L298 HydrophobicContact CD2-CB 3.78Å; L175-I299 HydrophobicContact CD2-CD1 3.62Å; L175-I299 HydrophobicContact CD2-CG1 4.12Å; L175-I299 HydrophobicContact CG-CD1 3.72Å; L175-I299 HydrophobicContact CG-CG1 4.38Å; L175-V302 HydrophobicContact CD2-CG2 4.07Å
176P92.3Very high82.2Confident0 Ų047.5 Ų47.50%028%0.276CS..PPolyproline II helixtrans-57.7160.3166.2-1827.9000112.5N178 L179 R180 V302 L336 E337 V340P176-N178 WeakPolarHBondContact CB-OD1 3.49Å; P176-N178 PolarHBondContact O-N 3.46Å; P176-L179 HydrophobicContact CB-CG 4.45Å; P176-L179 HydrophobicContact CG-CD1 4.31Å; P176-L179 HydrophobicContact CG-CG 4.28Å; P176-L179 PolarHBondContact O-N 3.4Å; P176-R180 WeakPolarHBondContact O-CB 3.47Å; P176-R180 WeakPolarHBondContact O-CG 3.33Å; P176-R180 PolarHBondContact O-N 2.89Å; P176-R180 PolarHBondContact O-NE 2.7Å; P176-V302 HydrophobicContact CG-CG2 3.99Å; P176-L336 HydrophobicContact CB-CG 4.42Å; P176-L336 HydrophobicContact CG-CD1 3.8Å; P176-L336 HydrophobicContact CG-CG 3.98Å; P176-L336 WeakPolarHBondContact CG-O 3.47Å; P176-E337 WeakPolarHBondContact CA-OE1 3.47Å; P176-V340 HydrophobicContact CG-CB 4.05Å; P176-V340 HydrophobicContact CG-CG1 4.19Å; P176-V340 HydrophobicContact CG-CG2 3.77Å
177H91.3Very high84.7Confident84 Ų8447.9 Ų47.939%0.38927%0.271SS..Hα-helixtrans-61.9-45.9-175.2-172.347.9000112.9L179 R180 V181 E337H177-L179 VanDerWaalsContact C-N 3.31Å; H177-L179 PolarHBondContact O-N 3Å; H177-R180 VanDerWaalsContact CA-NH2 3.34Å; H177-R180 PolarHBondContact O-N 3.26Å; H177-V181 WeakPolarHBondContact O-CG2 3.25Å; H177-V181 PolarHBondContact O-N 3.05Å; H177-E337 WeakPolarHBondContact CB-OE2 3.32Å; H177-E337 PolarHBondContact N-OE1 2.81Å; H177-E337 PolarHBondContact N-OE2 3.18Å
178N91.8Very high86.8Confident54 Ų5444.6 Ų44.629%0.28925%0.248SC..Hα-helixtrans-57.5-43.8176.560-1000111.4P176 V181 L182P176-N178 WeakPolarHBondContact CB-OD1 3.49Å; P176-N178 PolarHBondContact O-N 3.46Å; N178-V181 PolarHBondContact O-N 3.45Å; N178-L182 WeakPolarHBondContact O-CB 3.49Å; N178-L182 PolarHBondContact O-N 3.47Å
179L94.4Very high88.7Confident3 Ų339.1 Ų39.12%0.01621%0.214CC..Hα-helixtrans-72.3-33.9178.2-56-159.9000112.6L175 P176 H177 L182 L183 L298 L301 V302 V340 I343L175-L179 HydrophobicContact CB-CB 4.4Å; L175-L179 HydrophobicContact CD2-CB 4.09Å; L175-L179 HydrophobicContact CD2-CD1 4.04Å; P176-L179 HydrophobicContact CB-CG 4.45Å; P176-L179 HydrophobicContact CG-CD1 4.31Å; P176-L179 HydrophobicContact CG-CG 4.28Å; P176-L179 PolarHBondContact O-N 3.4Å; H177-L179 VanDerWaalsContact C-N 3.31Å; H177-L179 PolarHBondContact O-N 3Å; L179-L182 PolarHBondContact O-N 3Å; L179-L183 WeakPolarHBondContact O-CB 3.42Å; L179-L183 PolarHBondContact O-N 3.28Å; L179-L298 HydrophobicContact CB-CD1 4.43Å; L179-L298 HydrophobicContact CB-CD2 4.41Å; L179-L298 HydrophobicContact CD1-CB 4.34Å; L179-L298 HydrophobicContact CD1-CD2 4.27Å; L179-L298 HydrophobicContact CD2-CD2 4.22Å; L179-L301 HydrophobicContact CD1-CD2 4.39Å; L179-V302 HydrophobicContact CD1-CG2 3.67Å; L179-V340 HydrophobicContact CD1-CG1 3.94Å; L179-V340 HydrophobicContact CG-CG1 4.38Å; L179-I343 HydrophobicContact CD2-CD1 3.48Å; L179-I343 VanDerWaalsContact CD2-CD1 3.48Å; L179-I343 HydrophobicContact CD2-CG1 4.23Å
180R93.1Very high90.4Very high107 Ų10738.4 Ų38.440%0.40421%0.21SC..Hα-helixtrans-62.7-44.4172.1-77.7-179.1-80.5132.3-5.8111.7L175 P176 H177 L183 E184 E337L175-R180 HydrophobicContact CB-CG 3.67Å; L175-R180 WeakPolarHBondContact O-CD 3.29Å; L175-R180 PolarHBondContact O-NE 3.11Å; P176-R180 WeakPolarHBondContact O-CB 3.47Å; P176-R180 WeakPolarHBondContact O-CG 3.33Å; P176-R180 PolarHBondContact O-N 2.89Å; P176-R180 PolarHBondContact O-NE 2.7Å; H177-R180 VanDerWaalsContact CA-NH2 3.34Å; H177-R180 PolarHBondContact O-N 3.26Å; R180-L183 PolarHBondContact O-N 2.73Å; R180-E184 PolarHBondContact O-N 2.72Å; R180-E337 IonicContact NH2-OE1 2.93Å; R180-E337 PolarHBondContact NH2-OE1 3.18Å
181V93.7Very high92Very high27 Ų2739.9 Ų39.916%0.16422%0.218CC..Hα-helixtrans-66.1-42.8176.5174.10000110.7H177 N178 L183 E184 L185H177-V181 WeakPolarHBondContact O-CG2 3.25Å; H177-V181 PolarHBondContact O-N 3.05Å; N178-V181 PolarHBondContact O-N 3.45Å; V181-L183 VanDerWaalsContact C-N 3.34Å; V181-L183 PolarHBondContact O-N 3.03Å; V181-E184 PolarHBondContact O-N 3.45Å; V181-L185 HydrophobicContact CG1-CD1 4.06Å; V181-L185 HydrophobicContact CG1-CG 4.41Å; V181-L185 WeakPolarHBondContact O-CG 3.39Å; V181-L185 PolarHBondContact O-N 3.41Å
182L95.8Very high93.7Very high7 Ų734 Ų344%0.03718%0.182CC..Hα-helixtrans-62.7-39.6176.6-170.368.4000112.4N178 L179 F186 Q227 F228 V231 F294 L298 I343N178-L182 WeakPolarHBondContact O-CB 3.49Å; N178-L182 PolarHBondContact O-N 3.47Å; L179-L182 PolarHBondContact O-N 3Å; L182-F186 WeakPolarHBondContact O-CB 3.42Å; L182-F186 PolarHBondContact O-N 2.89Å; L182-Q227 HydrophobicContact CD1-CB 3.92Å; L182-Q227 HydrophobicContact CD2-CB 4.23Å; L182-F228 HydrophobicContact CD1-CD1 3.85Å; L182-F228 HydrophobicContact CD1-CE1 3.56Å; L182-F228 HydrophobicContact CG-CD1 4.26Å; L182-F228 HydrophobicContact CG-CE1 4.1Å; L182-V231 HydrophobicContact CD2-CG2 4.31Å; L182-F294 HydrophobicContact CD2-CZ 4.2Å; L182-F294 HydrophobicContact CG-CE1 4.35Å; L182-F294 HydrophobicContact CG-CZ 4.18Å; L182-L298 HydrophobicContact CD2-CD2 4.39Å; L182-I343 HydrophobicContact CD2-CD1 3.44Å; L182-I343 VanDerWaalsContact CD2-CD1 3.44Å
183L95.4Very high94.6Very high31 Ų3131 Ų3116%0.16215%0.151CC..Hα-helixtrans-62.5-39.4173.4175.466.3000112.6L175 L179 R180 V181 F186 R187 F294 H295 L298L175-L183 HydrophobicContact CD1-CD2 3.99Å; L179-L183 WeakPolarHBondContact O-CB 3.42Å; L179-L183 PolarHBondContact O-N 3.28Å; R180-L183 PolarHBondContact O-N 2.73Å; V181-L183 VanDerWaalsContact C-N 3.34Å; V181-L183 PolarHBondContact O-N 3.03Å; L183-F186 PolarHBondContact O-N 3.4Å; L183-R187 WeakPolarHBondContact O-CB 3.28Å; L183-R187 PolarHBondContact O-N 2.96Å; L183-F294 HydrophobicContact CD1-CD1 3.88Å; L183-H295 HydrophobicContact CD1-CB 4.16Å; L183-L298 HydrophobicContact CB-CD1 3.84Å; L183-L298 HydrophobicContact CD1-CD1 4.45Å
184E95.8Very high95.1Very high63 Ų6330.9 Ų30.929%0.29415%0.151SC..Hα-helixtrans-69.2-44.6177.3175.9151.5-113.400112.1R180 V181 F186 R187 S188 V216R180-E184 PolarHBondContact O-N 2.72Å; V181-E184 PolarHBondContact O-N 3.45Å; E184-F186 VanDerWaalsContact C-N 3.3Å; E184-F186 PolarHBondContact O-N 3.35Å; E184-R187 PolarHBondContact O-N 2.93Å; E184-R187 IonicContact OE1-CZ 3.85Å; E184-R187 IonicContact OE1-NH1 3.13Å; E184-R187 IonicContact OE1-NH2 2.66Å; E184-R187 PolarHBondContact OE1-NH2 3.09Å; E184-S188 PolarHBondContact O-N 3.49Å; E184-S188 PolarHBondContact O-OG 2.97Å; E184-V216 HydrophobicContact CG-CG1 3.92Å; E184-V216 HydrophobicContact CG-CG2 4.2Å
185L97.5Very high95.5Very high3 Ų330.7 Ų30.72%0.01615%0.146CC..Hα-helixtrans-59.5-41.9172-68.8171.3000111.1V181 S188 C189 V212 V216 F220 H224 F228V181-L185 HydrophobicContact CG1-CD1 4.06Å; V181-L185 HydrophobicContact CG1-CG 4.41Å; V181-L185 WeakPolarHBondContact O-CG 3.39Å; V181-L185 PolarHBondContact O-N 3.41Å; L185-S188 PolarHBondContact O-N 3.31Å; L185-C189 WeakPolarHBondContact O-CB 3.41Å; L185-C189 PolarHBondContact O-N 3.24Å; L185-V212 HydrophobicContact CD2-CG1 4.12Å; L185-V216 HydrophobicContact CD2-CB 4.28Å; L185-V216 HydrophobicContact CD2-CG1 3.97Å; L185-V216 HydrophobicContact CD2-CG2 4.34Å; L185-F220 HydrophobicContact CB-CD2 4.39Å; L185-F220 HydrophobicContact CD1-CD2 4.5Å; L185-F220 HydrophobicContact CD2-CB 4.35Å; L185-F220 HydrophobicContact CD2-CD2 4.07Å; L185-H224 VanDerWaalsContact CD1-CD2 3.42Å; L185-H224 WeakPolarHBondContact CD1-CD2 3.42Å; L185-F228 HydrophobicContact CB-CE1 4.34Å; L185-F228 HydrophobicContact CB-CZ 3.98Å
186F97.7Very high95.7Very high0 Ų031.1 Ų31.10%015%0.148CC..Hα-helixtrans-61.9-49.4175.6179.5-104.3000111.8L182 L183 E184 S188 C189 D190 F228 Y232 V235 Y236 F294L182-F186 WeakPolarHBondContact O-CB 3.42Å; L182-F186 PolarHBondContact O-N 2.89Å; L183-F186 PolarHBondContact O-N 3.4Å; E184-F186 VanDerWaalsContact C-N 3.3Å; E184-F186 PolarHBondContact O-N 3.35Å; F186-S188 VanDerWaalsContact C-N 3.3Å; F186-S188 PolarHBondContact O-N 3.39Å; F186-C189 PolarHBondContact O-N 2.55Å; F186-D190 HydrophobicContact CE1-CB 4.41Å; F186-D190 HydrophobicContact CE2-CB 4.42Å; F186-D190 HydrophobicContact CZ-CB 4.15Å; F186-D190 WeakPolarHBondContact O-CB 3.41Å; F186-D190 PolarHBondContact O-N 3.17Å; F186-F228 VanDerWaalsContact CA-CZ 3.49Å; F186-F228 HydrophobicContact CB-CD1 4.06Å; F186-F228 HydrophobicContact CB-CE1 3.64Å; F186-F228 HydrophobicContact CB-CZ 4Å; F186-F228 HydrophobicContact CD2-CB 4.47Å; F186-F228 HydrophobicContact CD2-CD1 4.06Å; F186-F228 HydrophobicContact CD2-CD2 4.15Å; F186-F228 HydrophobicContact CD2-CE1 4.31Å; F186-F228 HydrophobicContact CD2-CE2 4.4Å; F186-F228 AromaticContact CD2-CG 3.98Å; F186-F228 HydrophobicContact CD2-CG 3.98Å; F186-F228 HydrophobicContact CD2-CZ 4.48Å; F186-F228 HydrophobicContact CG-CE1 4.49Å; F186-Y232 HydrophobicContact CZ-CD1 4.37Å; F186-V235 HydrophobicContact CE2-CG2 3.67Å; F186-V235 HydrophobicContact CZ-CG2 3.76Å; F186-Y236 HydrophobicContact CE2-CE2 4.31Å; F186-F294 HydrophobicContact CB-CD1 3.88Å; F186-F294 HydrophobicContact CB-CE1 3.64Å; F186-F294 HydrophobicContact CB-CG 4.43Å; F186-F294 HydrophobicContact CB-CZ 4.02Å; F186-F294 HydrophobicContact CD1-CB 3.68Å; F186-F294 AromaticContact CD1-CD1 3.67Å; F186-F294 HydrophobicContact CD1-CD1 3.67Å; F186-F294 HydrophobicContact CD1-CD2 4.08Å; F186-F294 HydrophobicContact CD1-CE1 4.29Å; F186-F294 AromaticContact CD1-CG 3.54Å; F186-F294 HydrophobicContact CD1-CG 3.54Å; F186-F294 HydrophobicContact CD2-CD2 4.12Å; F186-F294 HydrophobicContact CD2-CE2 4.11Å; F186-F294 HydrophobicContact CD2-CG 4.38Å; F186-F294 HydrophobicContact CD2-CZ 4.38Å; F186-F294 HydrophobicContact CE1-CB 3.64Å; F186-F294 HydrophobicContact CE1-CD1 4.46Å; F186-F294 HydrophobicContact CE1-CD2 4.26Å; F186-F294 AromaticContact CE1-CG 3.9Å; F186-F294 HydrophobicContact CE1-CG 3.9Å; F186-F294 HydrophobicContact CE2-CD2 4.32Å; F186-F294 HydrophobicContact CG-CB 4.45Å; F186-F294 AromaticContact CG-CD1 3.77Å; F186-F294 HydrophobicContact CG-CD1 3.77Å; F186-F294 HydrophobicContact CG-CD2 4.02Å; F186-F294 AromaticContact CG-CE1 3.91Å; F186-F294 HydrophobicContact CG-CE1 3.91Å; F186-F294 HydrophobicContact CG-CE2 4.15Å; F186-F294 AromaticContact CG-CG 3.83Å; F186-F294 HydrophobicContact CG-CG 3.83Å; F186-F294 HydrophobicContact CG-CZ 4.11Å; F186-F294 HydrophobicContact CZ-CB 4.39Å; F186-F294 HydrophobicContact CZ-CD2 4.39Å; F186-F294 HydrophobicContact CZ-CG 4.47Å
187R96.7Very high95.9Very high102 Ų10233 Ų3339%0.38516%0.156SC..Hα-helixtrans-53.3-47.7177.3-179.8-165.870.2-163.6-5.6111.4L183 E184 T191L183-R187 WeakPolarHBondContact O-CB 3.28Å; L183-R187 PolarHBondContact O-N 2.96Å; E184-R187 PolarHBondContact O-N 2.93Å; E184-R187 IonicContact OE1-CZ 3.85Å; E184-R187 IonicContact OE1-NH1 3.13Å; E184-R187 IonicContact OE1-NH2 2.66Å; E184-R187 PolarHBondContact OE1-NH2 3.09Å; R187-T191 WeakPolarHBondContact O-CB 3.5Å; R187-T191 PolarHBondContact O-N 3.19Å; R187-T191 PolarHBondContact O-OG1 3.36Å
188S97.3Very high96Very high3 Ų332.1 Ų32.12%0.02116%0.155CC..Hα-helixtrans-72.3-40.1-177.3-59.20000111.9E184 L185 F186 T191 V192 I215 V216E184-S188 PolarHBondContact O-N 3.49Å; E184-S188 PolarHBondContact O-OG 2.97Å; L185-S188 PolarHBondContact O-N 3.31Å; F186-S188 VanDerWaalsContact C-N 3.3Å; F186-S188 PolarHBondContact O-N 3.39Å; S188-T191 WeakPolarHBondContact O-CB 3.38Å; S188-T191 PolarHBondContact O-N 2.9Å; S188-V192 WeakPolarHBondContact O-CG2 3.5Å; S188-V192 PolarHBondContact O-N 3.09Å; S188-I215 WeakPolarHBondContact OG-CG2 3.2Å; S188-V216 VanDerWaalsContact CB-CG2 3.49Å; S188-V216 WeakPolarHBondContact OG-CG2 3.17Å
189C98.1Very high96.2Very high0 Ų038 Ų380%017%0.173CC..Hα-helixtrans-61.6-51.2174.9-177.70000112.1L185 F186 T191 V192 V193 V212 F220 F228L185-C189 WeakPolarHBondContact O-CB 3.41Å; L185-C189 PolarHBondContact O-N 3.24Å; F186-C189 PolarHBondContact O-N 2.55Å; C189-T191 PolarHBondContact O-N 3.41Å; C189-V192 PolarHBondContact O-N 2.8Å; C189-V192 VanDerWaalsContact O-N 3.12Å; C189-V193 WeakPolarHBondContact O-CG2 3.45Å; C189-V193 PolarHBondContact O-N 3.08Å; C189-V212 HydrophobicContact CB-CG2 4.06Å; C189-F220 HydrophobicContact CB-CZ 4.21Å; C189-F228 HydrophobicContact CB-CE2 3.92Å; C189-F228 HydrophobicContact CB-CZ 4.41Å
190D97.2Very high96.1Very high2 Ų246 Ų461%0.01121%0.207CC..Hα-helixtrans-61.4-33.1179.8-150.345.6000110.9F186 S194 Y236 F282 L287 R290F186-D190 HydrophobicContact CE1-CB 4.41Å; F186-D190 HydrophobicContact CE2-CB 4.42Å; F186-D190 HydrophobicContact CZ-CB 4.15Å; F186-D190 WeakPolarHBondContact O-CB 3.41Å; F186-D190 PolarHBondContact O-N 3.17Å; D190-S194 VanDerWaalsContact O-CB 3.3Å; D190-S194 WeakPolarHBondContact O-CB 3.27Å; D190-S194 PolarHBondContact O-N 3.44Å; D190-Y236 WeakPolarHBondContact CA-OH 3.47Å; D190-Y236 PolarHBondContact N-OH 3Å; D190-Y236 PolarHBondContact OD1-OH 3.46Å; D190-F282 WeakPolarHBondContact OD1-CZ 3.37Å; D190-F282 WeakPolarHBondContact OD2-CZ 3.4Å; D190-L287 HydrophobicContact CB-CD2 4.09Å; D190-L287 WeakPolarHBondContact O-CD2 3.45Å; D190-R290 IonicContact OD1-CZ 2.72Å; D190-R290 VanDerWaalsContact OD1-CZ 3.31Å; D190-R290 IonicContact OD1-NE 3.79Å; D190-R290 PolarHBondContact OD1-NE 2.95Å; D190-R290 IonicContact OD1-NH2 2.7Å; D190-R290 PolarHBondContact OD1-NH2 3.2Å; D190-R290 WeakPolarHBondContact OD2-CB 3.33Å; D190-R290 IonicContact OD2-CZ 3.44Å; D190-R290 IonicContact OD2-NE 2.73Å; D190-R290 PolarHBondContact OD2-NE 3.49Å
191T97.4Very high96.1Very high55 Ų5544.5 Ų44.534%0.33721%0.205SC..Hα-helixtrans-66.3-47.2173.1-57.30000112.6R187 S188 C189 S194 M195R187-T191 WeakPolarHBondContact O-CB 3.5Å; R187-T191 PolarHBondContact O-N 3.19Å; R187-T191 PolarHBondContact O-OG1 3.36Å; S188-T191 WeakPolarHBondContact O-CB 3.38Å; S188-T191 PolarHBondContact O-N 2.9Å; C189-T191 PolarHBondContact O-N 3.41Å; T191-S194 WeakPolarHBondContact O-CB 3.14Å; T191-S194 PolarHBondContact O-N 3.33Å; T191-M195 PolarHBondContact O-N 2.65Å; T191-M195 VanDerWaalsContact O-N 3.07Å
192V97.9Very high96Very high5 Ų546.3 Ų46.33%0.0321%0.213CC..Hα-helixtrans-65.5-43176.9175.10000111S188 C189 S194 M195 L196 I208 A211 V212 I215S188-V192 WeakPolarHBondContact O-CG2 3.5Å; S188-V192 PolarHBondContact O-N 3.09Å; C189-V192 PolarHBondContact O-N 2.8Å; C189-V192 VanDerWaalsContact O-N 3.12Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 3.17Å; V192-M195 HydrophobicContact CG2-CE 4.2Å; V192-M195 PolarHBondContact O-N 3.07Å; V192-L196 HydrophobicContact CG1-CD1 4.03Å; V192-L196 HydrophobicContact CG1-CG 4.45Å; V192-L196 WeakPolarHBondContact O-CG 3.3Å; V192-L196 PolarHBondContact O-N 3.12Å; V192-I208 HydrophobicContact CG1-CB 4.49Å; V192-I208 HydrophobicContact CG1-CG1 4.2Å; V192-I208 HydrophobicContact CG1-CG2 4.49Å; V192-A211 HydrophobicContact CG1-CB 3.95Å; V192-A211 HydrophobicContact CG2-CB 3.89Å; V192-V212 HydrophobicContact CG2-CG2 4.18Å; V192-I215 HydrophobicContact CG2-CD1 3.61Å
193V97.7Very high96.1Very high0 Ų046.2 Ų46.20%021%0.214CC..Hα-helixtrans-60.5-40.7174.6173.80000110.9C189 L196 H197 I208 Y236 L259 P261 F282C189-V193 WeakPolarHBondContact O-CG2 3.45Å; C189-V193 PolarHBondContact O-N 3.08Å; V193-L196 PolarHBondContact O-N 3.4Å; V193-H197 WeakPolarHBondContact O-CB 3.47Å; V193-H197 PolarHBondContact O-N 2.79Å; V193-I208 HydrophobicContact CG2-CD1 3.76Å; V193-I208 HydrophobicContact CG2-CG1 4.36Å; V193-Y236 HydrophobicContact CB-CE1 4.37Å; V193-Y236 HydrophobicContact CG1-CE1 4.03Å; V193-Y236 HydrophobicContact CG2-CE1 4.19Å; V193-L259 HydrophobicContact CG2-CB 4.34Å; V193-L259 HydrophobicContact CG2-CD2 4.45Å; V193-P261 HydrophobicContact CG1-CB 3.92Å; V193-P261 HydrophobicContact CG1-CG 3.78Å; V193-F282 HydrophobicContact CG1-CE1 4.27Å
194S96.3Very high96Very high8 Ų845 Ų456%0.05621%0.208CC..Hα-helixtrans-60.2-44.6173.8175.10000112.6D190 T191 V192 N198 F282D190-S194 VanDerWaalsContact O-CB 3.3Å; D190-S194 WeakPolarHBondContact O-CB 3.27Å; D190-S194 PolarHBondContact O-N 3.44Å; T191-S194 WeakPolarHBondContact O-CB 3.14Å; T191-S194 PolarHBondContact O-N 3.33Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 3.17Å; S194-N198 WeakPolarHBondContact O-CB 3.48Å; S194-N198 PolarHBondContact O-N 2.97Å; S194-N198 PolarHBondContact O-ND2 3.47Å; S194-N198 VanDerWaalsContact O-ND2 3.09Å; S194-N198 PolarHBondContact OG-ND2 2.84Å; S194-F282 VanDerWaalsContact CA-CD1 3.48Å; S194-F282 PolarHBondContact OG-O 3.18Å
195M96.8Very high96Very high85 Ų8542.5 Ų42.542%0.41920%0.196SC..Hα-helixtrans-61.9-48.4177.3-69.6-167.9-68.600112.7T191 V192 R199T191-M195 PolarHBondContact O-N 2.65Å; T191-M195 VanDerWaalsContact O-N 3.07Å; V192-M195 HydrophobicContact CG2-CE 4.2Å; V192-M195 PolarHBondContact O-N 3.07Å; M195-R199 WeakPolarHBondContact O-CG 3.26Å; M195-R199 PolarHBondContact O-N 2.89Å
196L96.6Very high95.9Very high15 Ų1545 Ų458%0.07921%0.209CC..Hα-helixtrans-66-48.1179.7-65173.7000111V192 V193 N198 R199 K200 E201 C203 K207 I208V192-L196 HydrophobicContact CG1-CD1 4.03Å; V192-L196 HydrophobicContact CG1-CG 4.45Å; V192-L196 WeakPolarHBondContact O-CG 3.3Å; V192-L196 PolarHBondContact O-N 3.12Å; V193-L196 PolarHBondContact O-N 3.4Å; L196-N198 PolarHBondContact O-N 3.37Å; L196-R199 PolarHBondContact O-N 3.45Å; L196-R199 VanDerWaalsContact O-N 3.14Å; L196-K200 PolarHBondContact O-N 3.46Å; L196-E201 HydrophobicContact CB-CB 4.41Å; L196-E201 HydrophobicContact CD2-CB 4.36Å; L196-E201 HydrophobicContact CD2-CG 4.39Å; L196-E201 WeakPolarHBondContact CD2-OE2 3.28Å; L196-E201 WeakPolarHBondContact O-CB 3.37Å; L196-E201 PolarHBondContact O-N 3.13Å; L196-C203 VanDerWaalsContact CB-SG 3.53Å; L196-K207 HydrophobicContact CD1-CB 4.29Å; L196-K207 HydrophobicContact CD2-CD 4.48Å; L196-I208 HydrophobicContact CD1-CG1 3.91Å
197H95.1Very high95.7Very high38 Ų3848.2 Ų48.218%0.17622%0.223CC..Hα-helixtrans-59.7-45179.6-176.8-89.7000111.9V193 R199 K200 C203 P261 F279 L280V193-H197 WeakPolarHBondContact O-CB 3.47Å; V193-H197 PolarHBondContact O-N 2.79Å; H197-R199 PolarHBondContact O-N 3.01Å; H197-K200 WeakPolarHBondContact O-CA 3.26Å; H197-K200 PolarHBondContact O-N 2.84Å; H197-C203 PolarHBondContact N-SG 2.67Å; H197-C203 VanDerWaalsContact N-SG 3.43Å; H197-P261 HydrophobicContact CB-CG 4.01Å; H197-P261 VanDerWaalsContact CD2-CG 3.42Å; H197-P261 WeakPolarHBondContact CD2-CG 3.43Å; H197-F279 AromaticContact CE1-CE2 3.37Å; H197-F279 WeakPolarHBondContact CE1-CE2 3.22Å; H197-F279 AromaticContact CE1-CZ 3.71Å; H197-F279 AromaticContact ND1-CE2 3.79Å; H197-F279 AromaticContact ND1-CZ 3.79Å; H197-F279 AromaticContact NE2-CE2 3.82Å; H197-F279 WeakPolarHBondContact O-CE2 3.45Å; H197-F279 WeakPolarHBondContact O-CZ 3.43Å; H197-L280 PolarHBondContact CE1-O 3.17Å; H197-L280 VanDerWaalsContact CE1-O 3.24Å
198N94.7Very high95.8Very high67 Ų6743.4 Ų43.436%0.35821%0.205SC..Hα-helixtrans-64-26.6179.1-74.9-26.2000113.5S194 L196 K200 F282S194-N198 WeakPolarHBondContact O-CB 3.48Å; S194-N198 PolarHBondContact O-N 2.97Å; S194-N198 PolarHBondContact O-ND2 3.47Å; S194-N198 VanDerWaalsContact O-ND2 3.09Å; S194-N198 PolarHBondContact OG-ND2 2.84Å; L196-N198 PolarHBondContact O-N 3.37Å; N198-K200 VanDerWaalsContact C-N 3.26Å; N198-F282 PolarHBondContact ND2-O 2.86Å; N198-F282 WeakPolarHBondContact OD1-CA 3.42Å; N198-F282 WeakPolarHBondContact OD1-CB 3.27Å; N198-F282 PolarHBondContact OD1-N 3.22Å
199R95.1Very high95.8Very high178 Ų17846.1 Ų46.167%0.67222%0.217SC*.THydrogen-bonded Turntrans-82.50.1172-67.1171.4-177.41682113.4M195 L196 H197 E201M195-R199 WeakPolarHBondContact O-CG 3.26Å; M195-R199 PolarHBondContact O-N 2.89Å; L196-R199 PolarHBondContact O-N 3.45Å; L196-R199 VanDerWaalsContact O-N 3.14Å; H197-R199 PolarHBondContact O-N 3.01Å; R199-E201 HydrophobicContact CB-CB 4.29Å; R199-E201 PolarHBondContact O-N 3.12Å
200K92.6Very high95.7Very high169 Ų16949.3 Ų49.374%0.73524%0.238SC*.THydrogen-bonded Turntrans58.425.3-168.5-53.7175.3-176.4172.80112.9L196 H197 N198 F279L196-K200 PolarHBondContact O-N 3.46Å; H197-K200 WeakPolarHBondContact O-CA 3.26Å; H197-K200 PolarHBondContact O-N 2.84Å; N198-K200 VanDerWaalsContact C-N 3.26Å; K200-F279 HydrophobicContact CG-CD2 4.35Å; K200-F279 HydrophobicContact CG-CE2 3.95Å; K200-F279 HydrophobicContact CG-CZ 4.19Å
201E93.5Very high95.7Very high76 Ų7650.5 Ų50.536%0.35525%0.248SC..  trans-85.6145.3-179.5-159.2-173.4149.300110.7L196 R199 C203 K207L196-E201 HydrophobicContact CB-CB 4.41Å; L196-E201 HydrophobicContact CD2-CB 4.36Å; L196-E201 HydrophobicContact CD2-CG 4.39Å; L196-E201 WeakPolarHBondContact CD2-OE2 3.28Å; L196-E201 WeakPolarHBondContact O-CB 3.37Å; L196-E201 PolarHBondContact O-N 3.13Å; R199-E201 HydrophobicContact CB-CB 4.29Å; R199-E201 PolarHBondContact O-N 3.12Å; E201-C203 PolarHBondContact O-N 3.11Å; E201-C203 VanDerWaalsContact O-N 3.09Å; E201-C203 PolarHBondContact O-SG 2.86Å; E201-K207 WeakPolarHBondContact OE1-CD 3.29Å; E201-K207 WeakPolarHBondContact OE1-CE 3.46Å; E201-K207 IonicContact OE1-NZ 3.45Å; E201-K207 PolarHBondContact OE1-NZ 3.38Å
202L92Very high95.8Very high65 Ų6547.9 Ų47.934%0.3423%0.232SC..  trans-61.9116.3175.2-169.867.7000110.2S204 K207 E241 V258L202-S204 PolarHBondContact O-N 3.06Å; L202-K207 PolarHBondContact O-NZ 3.43Å; L202-K207 VanDerWaalsContact O-NZ 3.09Å; L202-E241 VanDerWaalsContact CD1-OE2 3.32Å; L202-E241 WeakPolarHBondContact CD1-OE2 3.47Å; L202-E241 HydrophobicContact CD2-CG 4.48Å; L202-V258 HydrophobicContact CD1-CB 4.46Å; L202-V258 HydrophobicContact CD1-CG1 3.6Å; L202-V258 HydrophobicContact CD1-CG2 3.97Å; L202-V258 HydrophobicContact CD2-CG2 4.1Å; L202-V258 HydrophobicContact CG-CG1 4.21Å; L202-V258 HydrophobicContact CG-CG2 4.09Å
203C95.9Very high95.7Very high6 Ų650.5 Ų50.54%0.04124%0.244CC..  trans-77.862.8179.6-61.90000110.7L196 H197 E201 I208 V258 L259L196-C203 VanDerWaalsContact CB-SG 3.53Å; H197-C203 PolarHBondContact N-SG 2.67Å; H197-C203 VanDerWaalsContact N-SG 3.43Å; E201-C203 PolarHBondContact O-N 3.11Å; E201-C203 VanDerWaalsContact O-N 3.09Å; E201-C203 PolarHBondContact O-SG 2.86Å; C203-I208 HydrophobicContact CB-CD1 4.3Å; C203-I208 WeakPolarHBondContact O-CD1 3.49Å; C203-V258 WeakPolarHBondContact O-CA 3.36Å; C203-L259 WeakPolarHBondContact CB-O 3.33Å; C203-L259 PolarHBondContact O-N 3.14Å
204S95Very high95.7Very high6 Ų656.2 Ų56.24%0.04227%0.271CS..BIsolated β-bridgetrans-87.7144.5-175.156.90000112.1L202 D206 K207 I208L202-S204 PolarHBondContact O-N 3.06Å; S204-D206 VanDerWaalsContact C-N 3.27Å; S204-D206 WeakPolarHBondContact CB-OD1 3.36Å; S204-D206 PolarHBondContact O-N 3.42Å; S204-D206 PolarHBondContact OG-OD1 3.38Å; S204-K207 PolarHBondContact O-N 3.02Å; S204-K207 WeakPolarHBondContact OG-CD 3.47Å; S204-K207 WeakPolarHBondContact OG-CE 3.39Å; S204-I208 WeakPolarHBondContact O-CG1 3.33Å; S204-I208 PolarHBondContact O-N 3.05Å; S204-I208 VanDerWaalsContact O-N 3.1Å
205F96Very high95.6Very high9 Ų960 Ų604%0.03929%0.289CS..Hα-helixtrans-64.2-30.9-171.8-171.2-97.3000112.8K207 I208 Q209 F220 E222 V225 V256 L257 L259F205-K207 PolarHBondContact O-N 3.3Å; F205-I208 PolarHBondContact O-N 3.36Å; F205-Q209 HydrophobicContact CD1-CB 4.15Å; F205-Q209 HydrophobicContact CE1-CB 3.74Å; F205-Q209 HydrophobicContact CE1-CG 3.94Å; F205-Q209 HydrophobicContact CZ-CB 3.9Å; F205-Q209 HydrophobicContact CZ-CG 4.04Å; F205-Q209 WeakPolarHBondContact O-CB 3.28Å; F205-Q209 PolarHBondContact O-N 2.96Å; F205-F220 HydrophobicContact CD2-CE1 4.47Å; F205-F220 HydrophobicContact CE2-CD1 4.06Å; F205-F220 AromaticContact CE2-CE1 3.56Å; F205-F220 HydrophobicContact CE2-CE1 3.56Å; F205-F220 HydrophobicContact CE2-CZ 4.27Å; F205-F220 HydrophobicContact CZ-CD1 4.18Å; F205-F220 HydrophobicContact CZ-CE1 4.15Å; F205-E222 HydrophobicContact CD1-CG 3.87Å; F205-E222 HydrophobicContact CD2-CG 4.41Å; F205-E222 HydrophobicContact CE1-CG 3.71Å; F205-E222 HydrophobicContact CE2-CG 4.27Å; F205-E222 HydrophobicContact CG-CG 4.24Å; F205-E222 HydrophobicContact CZ-CG 3.96Å; F205-V225 HydrophobicContact CD2-CG2 4.24Å; F205-V225 HydrophobicContact CE2-CG2 3.82Å; F205-V256 HydrophobicContact CB-CG1 4.4Å; F205-L257 HydrophobicContact CB-CB 4.02Å; F205-L257 WeakPolarHBondContact CB-O 3.49Å; F205-L257 PolarHBondContact N-O 2.8Å; F205-L259 HydrophobicContact CD2-CD1 4.24Å
206D93.6Very high95.5Very high56 Ų5656.6 Ų56.630%0.29927%0.274SS..Hα-helixtrans-59.3-22172.467.4-27.7000114.3S204 P210 Q243 V256S204-D206 VanDerWaalsContact C-N 3.27Å; S204-D206 WeakPolarHBondContact CB-OD1 3.36Å; S204-D206 PolarHBondContact O-N 3.42Å; S204-D206 PolarHBondContact OG-OD1 3.38Å; D206-P210 VanDerWaalsContact O-CD 3.27Å; D206-P210 WeakPolarHBondContact O-CD 3.33Å; D206-P210 WeakPolarHBondContact O-CG 3.27Å; D206-Q243 PolarHBondContact OD2-NE2 3.14Å; D206-V256 HydrophobicContact CB-CG1 4.13Å
207K95.1Very high95.4Very high68 Ų6865 Ų6530%0.29630%0.304SS..Hα-helixtrans-96.8-41.1172.9-57.1173.9-167.4173.90112.2L196 E201 L202 S204 F205 A211L196-K207 HydrophobicContact CD1-CB 4.29Å; L196-K207 HydrophobicContact CD2-CD 4.48Å; E201-K207 WeakPolarHBondContact OE1-CD 3.29Å; E201-K207 WeakPolarHBondContact OE1-CE 3.46Å; E201-K207 IonicContact OE1-NZ 3.45Å; E201-K207 PolarHBondContact OE1-NZ 3.38Å; L202-K207 PolarHBondContact O-NZ 3.43Å; L202-K207 VanDerWaalsContact O-NZ 3.09Å; S204-K207 PolarHBondContact O-N 3.02Å; S204-K207 WeakPolarHBondContact OG-CD 3.47Å; S204-K207 WeakPolarHBondContact OG-CE 3.39Å; F205-K207 PolarHBondContact O-N 3.3Å; K207-A211 WeakPolarHBondContact O-CB 3.42Å; K207-A211 PolarHBondContact O-N 3.2Å
208I97.3Very high95.3Very high0 Ų068.4 Ų68.40%032%0.316CS..Hα-helixtrans-67.2-40.2-177-62.8164000110.3V192 V193 L196 C203 S204 F205 A211 V212 F220 L259V192-I208 HydrophobicContact CG1-CB 4.49Å; V192-I208 HydrophobicContact CG1-CG1 4.2Å; V192-I208 HydrophobicContact CG1-CG2 4.49Å; V193-I208 HydrophobicContact CG2-CD1 3.76Å; V193-I208 HydrophobicContact CG2-CG1 4.36Å; L196-I208 HydrophobicContact CD1-CG1 3.91Å; C203-I208 HydrophobicContact CB-CD1 4.3Å; C203-I208 WeakPolarHBondContact O-CD1 3.49Å; S204-I208 WeakPolarHBondContact O-CG1 3.33Å; S204-I208 PolarHBondContact O-N 3.05Å; S204-I208 VanDerWaalsContact O-N 3.1Å; F205-I208 PolarHBondContact O-N 3.36Å; I208-A211 PolarHBondContact O-N 2.88Å; I208-V212 HydrophobicContact CG2-CG2 3.88Å; I208-V212 WeakPolarHBondContact O-CB 3.25Å; I208-V212 VanDerWaalsContact O-CG2 3.26Å; I208-V212 WeakPolarHBondContact O-CG2 3.13Å; I208-V212 PolarHBondContact O-N 2.6Å; I208-F220 HydrophobicContact CG2-CE1 4.11Å; I208-L259 HydrophobicContact CD1-CB 4.03Å; I208-L259 HydrophobicContact CD1-CD1 4.25Å; I208-L259 HydrophobicContact CD1-CD2 4.2Å; I208-L259 HydrophobicContact CD1-CG 4.37Å
209Q97.6Very high95.3Very high60 Ų6070.7 Ų70.728%0.2833%0.328SS..Hα-helixtrans-57.9-61.3-177.7-174179.325.700113.4F205 A211 V212 Q213 F220F205-Q209 HydrophobicContact CD1-CB 4.15Å; F205-Q209 HydrophobicContact CE1-CB 3.74Å; F205-Q209 HydrophobicContact CE1-CG 3.94Å; F205-Q209 HydrophobicContact CZ-CB 3.9Å; F205-Q209 HydrophobicContact CZ-CG 4.04Å; F205-Q209 WeakPolarHBondContact O-CB 3.28Å; F205-Q209 PolarHBondContact O-N 2.96Å; Q209-A211 VanDerWaalsContact C-N 3.3Å; Q209-A211 PolarHBondContact O-N 3.06Å; Q209-V212 PolarHBondContact O-N 3.21Å; Q209-Q213 WeakPolarHBondContact O-CB 3.37Å; Q209-Q213 VanDerWaalsContact O-CG 3.29Å; Q209-Q213 WeakPolarHBondContact O-CG 3.16Å; Q209-Q213 PolarHBondContact O-N 2.77Å; Q209-Q213 PolarHBondContact O-OE1 3.24Å; Q209-F220 WeakPolarHBondContact CG-O 3.3Å; Q209-F220 PolarHBondContact NE2-O 2.97Å
210P97.2Very high95.4Very high67 Ų6762.2 Ų62.244%0.43530%0.296SS..Hα-helixtrans-61.3-37.8-179.923.6-34.2000112.3D206 Q213 E214D206-P210 VanDerWaalsContact O-CD 3.27Å; D206-P210 WeakPolarHBondContact O-CD 3.33Å; D206-P210 WeakPolarHBondContact O-CG 3.27Å; P210-Q213 PolarHBondContact O-N 3.43Å; P210-E214 WeakPolarHBondContact O-CB 3.43Å; P210-E214 PolarHBondContact O-N 2.78Å
211A97.3Very high95.5Very high27 Ų2758.3 Ų58.322%0.22328%0.28CS..Hα-helixtrans-65.6-40.1178.500000112.9V192 K207 I208 Q209 E214 I215V192-A211 HydrophobicContact CG1-CB 3.95Å; V192-A211 HydrophobicContact CG2-CB 3.89Å; K207-A211 WeakPolarHBondContact O-CB 3.42Å; K207-A211 PolarHBondContact O-N 3.2Å; I208-A211 PolarHBondContact O-N 2.88Å; Q209-A211 VanDerWaalsContact C-N 3.3Å; Q209-A211 PolarHBondContact O-N 3.06Å; A211-E214 PolarHBondContact O-N 3.35Å; A211-I215 WeakPolarHBondContact O-CD1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.36Å; A211-I215 PolarHBondContact O-N 3.19Å
212V97.8Very high95.6Very high0 Ų056.9 Ų56.90%027%0.273CS..Hα-helixtrans-70.8-39.5175.6172.80000111.1L185 C189 V192 I208 Q209 E214 I215 V216 F220L185-V212 HydrophobicContact CD2-CG1 4.12Å; C189-V212 HydrophobicContact CB-CG2 4.06Å; V192-V212 HydrophobicContact CG2-CG2 4.18Å; I208-V212 HydrophobicContact CG2-CG2 3.88Å; I208-V212 WeakPolarHBondContact O-CB 3.25Å; I208-V212 VanDerWaalsContact O-CG2 3.26Å; I208-V212 WeakPolarHBondContact O-CG2 3.13Å; I208-V212 PolarHBondContact O-N 2.6Å; Q209-V212 PolarHBondContact O-N 3.21Å; V212-E214 VanDerWaalsContact C-N 3.32Å; V212-E214 PolarHBondContact O-N 3.24Å; V212-I215 PolarHBondContact O-N 3.01Å; V212-V216 HydrophobicContact CG1-CG2 4.38Å; V212-V216 WeakPolarHBondContact O-CB 3.39Å; V212-V216 PolarHBondContact O-N 3.29Å; V212-F220 HydrophobicContact CB-CB 4.46Å; V212-F220 HydrophobicContact CB-CD1 3.93Å; V212-F220 HydrophobicContact CB-CE1 4.4Å; V212-F220 HydrophobicContact CB-CG 4.2Å; V212-F220 HydrophobicContact CG1-CB 3.94Å; V212-F220 HydrophobicContact CG1-CD1 3.91Å; V212-F220 HydrophobicContact CG1-CD2 4.05Å; V212-F220 HydrophobicContact CG1-CE1 4.42Å; V212-F220 HydrophobicContact CG1-CG 3.69Å; V212-F220 HydrophobicContact CG2-CD1 4.4Å; V212-F220 HydrophobicContact CG2-CE1 4.39Å
213Q97.5Very high95.7Very high61 Ų6156.8 Ų56.829%0.28528%0.276SS..Hα-helixtrans-62.2-38.8173.9-69.8175.5-61.900111.8Q209 P210 R217 R218 F220Q209-Q213 WeakPolarHBondContact O-CB 3.37Å; Q209-Q213 VanDerWaalsContact O-CG 3.29Å; Q209-Q213 WeakPolarHBondContact O-CG 3.16Å; Q209-Q213 PolarHBondContact O-N 2.77Å; Q209-Q213 PolarHBondContact O-OE1 3.24Å; P210-Q213 PolarHBondContact O-N 3.43Å; Q213-R217 WeakPolarHBondContact O-CA 3.44Å; Q213-R217 PolarHBondContact O-N 3.26Å; Q213-R218 WeakPolarHBondContact CA-O 3.36Å; Q213-R218 WeakPolarHBondContact CG-O 3.35Å; Q213-F220 HydrophobicContact CG-CB 4.11Å
214E96Very high95.7Very high119 Ų11958.4 Ų58.456%0.55628%0.283SS*.Hα-helixtrans-66.6-45.5175-173.8178.9-168.400112.2P210 A211 V212 R217P210-E214 WeakPolarHBondContact O-CB 3.43Å; P210-E214 PolarHBondContact O-N 2.78Å; A211-E214 PolarHBondContact O-N 3.35Å; V212-E214 VanDerWaalsContact C-N 3.32Å; V212-E214 PolarHBondContact O-N 3.24Å; E214-R217 WeakPolarHBondContact O-CD 3.41Å; E214-R217 PolarHBondContact O-NE 2.81Å; E214-R217 PolarHBondContact O-NH2 2.83Å; E214-R217 IonicContact OE1-NH2 3.57Å
215I95.4Very high95.8Very high87 Ų8758.1 Ų58.145%0.44628%0.281SS..Hα-helixtrans-67.3-40.5-179-68.6163.6000111.7S188 V192 A211 V212S188-I215 WeakPolarHBondContact OG-CG2 3.2Å; V192-I215 HydrophobicContact CG2-CD1 3.61Å; A211-I215 WeakPolarHBondContact O-CD1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.36Å; A211-I215 PolarHBondContact O-N 3.19Å; V212-I215 PolarHBondContact O-N 3.01Å
216V94.6Very high95.9Very high15 Ų1557.7 Ų57.79%0.09128%0.279CS..Hα-helixtrans-98.7-16.2-171.9-175.80000113E184 L185 S188 V212 R218E184-V216 HydrophobicContact CG-CG1 3.92Å; E184-V216 HydrophobicContact CG-CG2 4.2Å; L185-V216 HydrophobicContact CD2-CB 4.28Å; L185-V216 HydrophobicContact CD2-CG1 3.97Å; L185-V216 HydrophobicContact CD2-CG2 4.34Å; S188-V216 VanDerWaalsContact CB-CG2 3.49Å; S188-V216 WeakPolarHBondContact OG-CG2 3.17Å; V212-V216 HydrophobicContact CG1-CG2 4.38Å; V212-V216 WeakPolarHBondContact O-CB 3.39Å; V212-V216 PolarHBondContact O-N 3.29Å; V216-R218 HydrophobicContact CG1-CB 4.02Å; V216-R218 HydrophobicContact CG1-CG 3.96Å; V216-R218 PolarHBondContact O-N 2.82Å
217R94.9Very high96Very high191 Ų19157.1 Ų57.172%0.72127%0.274SS*.SBendtrans53.339.1-173.8-52.6-64.1174.7-172.6-13112.5Q213 E214Q213-R217 WeakPolarHBondContact O-CA 3.44Å; Q213-R217 PolarHBondContact O-N 3.26Å; E214-R217 WeakPolarHBondContact O-CD 3.41Å; E214-R217 PolarHBondContact O-NE 2.81Å; E214-R217 PolarHBondContact O-NH2 2.83Å; E214-R217 IonicContact OE1-NH2 3.57Å
218R93Very high96.1Very high110 Ų11053.9 Ų53.942%0.41526%0.26SS..SBendtrans-139.5161.2177-65.5-179.4-173.3-101.1-4.7109.9Q213 V216Q213-R218 WeakPolarHBondContact CA-O 3.36Å; Q213-R218 WeakPolarHBondContact CG-O 3.35Å; V216-R218 HydrophobicContact CG1-CB 4.02Å; V216-R218 HydrophobicContact CG1-CG 3.96Å; V216-R218 PolarHBondContact O-N 2.82Å
219N93.5Very high96.1Very high115 Ų11555 Ų5562%0.61527%0.266SS*.  trans-63146.5171-69.8-4.8000111.4
220F97Very high96Very high0 Ų055.2 Ų55.20%027%0.271CS..  trans-143.7140.1172.8-178.9-111.2000108L185 C189 F205 I208 Q209 V212 Q213 H224 V225 F228L185-F220 HydrophobicContact CB-CD2 4.39Å; L185-F220 HydrophobicContact CD1-CD2 4.5Å; L185-F220 HydrophobicContact CD2-CB 4.35Å; L185-F220 HydrophobicContact CD2-CD2 4.07Å; C189-F220 HydrophobicContact CB-CZ 4.21Å; F205-F220 HydrophobicContact CD2-CE1 4.47Å; F205-F220 HydrophobicContact CE2-CD1 4.06Å; F205-F220 AromaticContact CE2-CE1 3.56Å; F205-F220 HydrophobicContact CE2-CE1 3.56Å; F205-F220 HydrophobicContact CE2-CZ 4.27Å; F205-F220 HydrophobicContact CZ-CD1 4.18Å; F205-F220 HydrophobicContact CZ-CE1 4.15Å; I208-F220 HydrophobicContact CG2-CE1 4.11Å; Q209-F220 WeakPolarHBondContact CG-O 3.3Å; Q209-F220 PolarHBondContact NE2-O 2.97Å; V212-F220 HydrophobicContact CB-CB 4.46Å; V212-F220 HydrophobicContact CB-CD1 3.93Å; V212-F220 HydrophobicContact CB-CE1 4.4Å; V212-F220 HydrophobicContact CB-CG 4.2Å; V212-F220 HydrophobicContact CG1-CB 3.94Å; V212-F220 HydrophobicContact CG1-CD1 3.91Å; V212-F220 HydrophobicContact CG1-CD2 4.05Å; V212-F220 HydrophobicContact CG1-CE1 4.42Å; V212-F220 HydrophobicContact CG1-CG 3.69Å; V212-F220 HydrophobicContact CG2-CD1 4.4Å; V212-F220 HydrophobicContact CG2-CE1 4.39Å; Q213-F220 HydrophobicContact CG-CB 4.11Å; F220-H224 HydrophobicContact CD2-CB 3.78Å; F220-H224 HydrophobicContact CE2-CB 3.62Å; F220-V225 HydrophobicContact CE1-CG2 4.42Å; F220-V225 HydrophobicContact CZ-CG2 3.83Å; F220-F228 AromaticContact CE2-CE2 3.66Å; F220-F228 HydrophobicContact CE2-CE2 3.66Å; F220-F228 AromaticContact CE2-CZ 3.71Å; F220-F228 HydrophobicContact CE2-CZ 3.71Å; F220-F228 AromaticContact CZ-CE2 3.85Å; F220-F228 HydrophobicContact CZ-CE2 3.85Å; F220-F228 HydrophobicContact CZ-CZ 4.35Å
221E95.8Very high95.9Very high86 Ų8653 Ų5340%0.40226%0.257SS..  trans-149.8163.3-165.8-69.3175179.500110T223 H224E221-T223 WeakPolarHBondContact CB-OG1 3.37Å; E221-T223 PolarHBondContact O-N 3.45Å; E221-T223 VanDerWaalsContact O-N 3.16Å; E221-T223 PolarHBondContact OE2-OG1 3.24Å; E221-H224 PolarHBondContact N-ND1 2.86Å; E221-H224 WeakPolarHBondContact O-CB 3.48Å; E221-H224 PolarHBondContact O-N 2.89Å
222E94.5Very high95.8Very high46 Ų4652 Ų5222%0.21525%0.247CC..Hα-helixtrans-56.6-30.9175.3-63.3-173.6-142.600112.1F205 H224 V225 G226 Y240 L257 L348 R351F205-E222 HydrophobicContact CD1-CG 3.87Å; F205-E222 HydrophobicContact CD2-CG 4.41Å; F205-E222 HydrophobicContact CE1-CG 3.71Å; F205-E222 HydrophobicContact CE2-CG 4.27Å; F205-E222 HydrophobicContact CG-CG 4.24Å; F205-E222 HydrophobicContact CZ-CG 3.96Å; E222-H224 VanDerWaalsContact C-N 3.28Å; E222-H224 PolarHBondContact O-N 2.84Å; E222-V225 WeakPolarHBondContact O-CA 3.45Å; E222-V225 WeakPolarHBondContact O-CB 3.44Å; E222-V225 PolarHBondContact O-N 3.18Å; E222-G226 PolarHBondContact O-N 2.96Å; E222-Y240 PolarHBondContact OE2-OH 3.02Å; E222-L257 HydrophobicContact CB-CD2 4.42Å; E222-L257 HydrophobicContact CG-CD2 3.99Å; E222-L348 HydrophobicContact CB-CD1 3.68Å; E222-R351 IonicContact OE1-NH2 3.49Å; E222-R351 PolarHBondContact OE1-NH2 3.05Å; E222-R351 IonicContact OE2-NH2 2.77Å; E222-R351 PolarHBondContact OE2-NH2 3.4Å
223T94.9Very high95.6Very high64 Ų6454.7 Ų54.739%0.39327%0.265SS..Hα-helixtrans-51.6-42.917253.40000112.8E221 V225 G226 Q227 P345E221-T223 WeakPolarHBondContact CB-OG1 3.37Å; E221-T223 PolarHBondContact O-N 3.45Å; E221-T223 VanDerWaalsContact O-N 3.16Å; E221-T223 PolarHBondContact OE2-OG1 3.24Å; T223-V225 VanDerWaalsContact C-N 3.35Å; T223-V225 PolarHBondContact O-N 3.38Å; T223-G226 WeakPolarHBondContact O-CA 3.34Å; T223-G226 PolarHBondContact O-N 3.33Å; T223-Q227 PolarHBondContact O-N 2.96Å; T223-P345 WeakPolarHBondContact O-CB 3.42Å
224H96.7Very high95.3Very high39 Ų3955.3 Ų55.318%0.18127%0.269CS..Hα-helixtrans-71.7-30.5179.8-6278.4000111.7L185 F220 E221 E222 G226 Q227 F228L185-H224 VanDerWaalsContact CD1-CD2 3.42Å; L185-H224 WeakPolarHBondContact CD1-CD2 3.42Å; F220-H224 HydrophobicContact CD2-CB 3.78Å; F220-H224 HydrophobicContact CE2-CB 3.62Å; E221-H224 PolarHBondContact N-ND1 2.86Å; E221-H224 WeakPolarHBondContact O-CB 3.48Å; E221-H224 PolarHBondContact O-N 2.89Å; E222-H224 VanDerWaalsContact C-N 3.28Å; E222-H224 PolarHBondContact O-N 2.84Å; H224-G226 VanDerWaalsContact C-N 3.33Å; H224-Q227 PolarHBondContact O-N 3.21Å; H224-F228 WeakPolarHBondContact O-CD1 3.43Å; H224-F228 VanDerWaalsContact O-CG 3.24Å; H224-F228 WeakPolarHBondContact O-CG 3.46Å; H224-F228 PolarHBondContact O-N 2.87Å
225V96.8Very high95.3Very high0 Ų049.6 Ų49.60%024%0.242CC..Hα-helixtrans-66.5-38.7171.1-171.50000110.3F205 F220 E222 T223 F228 L229 L238 L259F205-V225 HydrophobicContact CD2-CG2 4.24Å; F205-V225 HydrophobicContact CE2-CG2 3.82Å; F220-V225 HydrophobicContact CE1-CG2 4.42Å; F220-V225 HydrophobicContact CZ-CG2 3.83Å; E222-V225 WeakPolarHBondContact O-CA 3.45Å; E222-V225 WeakPolarHBondContact O-CB 3.44Å; E222-V225 PolarHBondContact O-N 3.18Å; T223-V225 VanDerWaalsContact C-N 3.35Å; T223-V225 PolarHBondContact O-N 3.38Å; V225-F228 WeakPolarHBondContact O-CB 3.5Å; V225-F228 PolarHBondContact O-N 3.42Å; V225-L229 PolarHBondContact O-N 3.1Å; V225-L229 VanDerWaalsContact O-N 3.12Å; V225-L238 HydrophobicContact CG1-CD1 3.97Å; V225-L238 HydrophobicContact CG1-CD2 4.07Å; V225-L259 HydrophobicContact CG1-CD1 4.47Å; V225-L259 HydrophobicContact CG1-CD2 3.97Å; V225-L259 HydrophobicContact CG1-CG 4.21Å; V225-L259 HydrophobicContact CG2-CD2 4.18Å
226G96.6Very high95.3Very high0 Ų045.8 Ų45.80%022%0.222CC..Hα-helixtrans-58.8-43.7170.200000112.3E222 T223 H224 F228 L229 T230 S346E222-G226 PolarHBondContact O-N 2.96Å; T223-G226 WeakPolarHBondContact O-CA 3.34Å; T223-G226 PolarHBondContact O-N 3.33Å; H224-G226 VanDerWaalsContact C-N 3.33Å; G226-F228 PolarHBondContact O-N 3.24Å; G226-L229 PolarHBondContact O-N 3.24Å; G226-T230 PolarHBondContact O-N 3.22Å; G226-T230 PolarHBondContact O-OG1 3.32Å; G226-T230 VanDerWaalsContact O-OG1 3.06Å; G226-S346 WeakPolarHBondContact O-CB 3.27Å; G226-S346 PolarHBondContact O-N 3.43Å
227Q97.1Very high95.3Very high45 Ų4551.1 Ų51.121%0.2124%0.244CC..Hα-helixtrans-64.6-36.9175.2-66.6179.2-40.500112.9L182 T223 H224 L229 T230 V231 I343 P345L182-Q227 HydrophobicContact CD1-CB 3.92Å; L182-Q227 HydrophobicContact CD2-CB 4.23Å; T223-Q227 PolarHBondContact O-N 2.96Å; H224-Q227 PolarHBondContact O-N 3.21Å; Q227-L229 VanDerWaalsContact C-N 3.32Å; Q227-L229 PolarHBondContact O-N 3.37Å; Q227-T230 PolarHBondContact O-N 2.65Å; Q227-V231 PolarHBondContact O-N 3.34Å; Q227-V231 VanDerWaalsContact O-N 3.16Å; Q227-I343 HydrophobicContact CB-CG2 3.98Å; Q227-I343 HydrophobicContact CG-CG2 4.11Å; Q227-I343 PolarHBondContact NE2-O 3.29Å; Q227-P345 HydrophobicContact CG-CB 4.09Å
228F97.4Very high95.3Very high0 Ų043.4 Ų43.40%022%0.217CC..Hα-helixtrans-61.3-41173.5-59.5-25.2000111.7L182 L185 F186 C189 F220 H224 V225 G226 V231 Y232 Y236 F294L182-F228 HydrophobicContact CD1-CD1 3.85Å; L182-F228 HydrophobicContact CD1-CE1 3.56Å; L182-F228 HydrophobicContact CG-CD1 4.26Å; L182-F228 HydrophobicContact CG-CE1 4.1Å; L185-F228 HydrophobicContact CB-CE1 4.34Å; L185-F228 HydrophobicContact CB-CZ 3.98Å; F186-F228 VanDerWaalsContact CA-CZ 3.49Å; F186-F228 HydrophobicContact CB-CD1 4.06Å; F186-F228 HydrophobicContact CB-CE1 3.64Å; F186-F228 HydrophobicContact CB-CZ 4Å; F186-F228 HydrophobicContact CD2-CB 4.47Å; F186-F228 HydrophobicContact CD2-CD1 4.06Å; F186-F228 HydrophobicContact CD2-CD2 4.15Å; F186-F228 HydrophobicContact CD2-CE1 4.31Å; F186-F228 HydrophobicContact CD2-CE2 4.4Å; F186-F228 AromaticContact CD2-CG 3.98Å; F186-F228 HydrophobicContact CD2-CG 3.98Å; F186-F228 HydrophobicContact CD2-CZ 4.48Å; F186-F228 HydrophobicContact CG-CE1 4.49Å; C189-F228 HydrophobicContact CB-CE2 3.92Å; C189-F228 HydrophobicContact CB-CZ 4.41Å; F220-F228 AromaticContact CE2-CE2 3.66Å; F220-F228 HydrophobicContact CE2-CE2 3.66Å; F220-F228 AromaticContact CE2-CZ 3.71Å; F220-F228 HydrophobicContact CE2-CZ 3.71Å; F220-F228 AromaticContact CZ-CE2 3.85Å; F220-F228 HydrophobicContact CZ-CE2 3.85Å; F220-F228 HydrophobicContact CZ-CZ 4.35Å; H224-F228 WeakPolarHBondContact O-CD1 3.43Å; H224-F228 VanDerWaalsContact O-CG 3.24Å; H224-F228 WeakPolarHBondContact O-CG 3.46Å; H224-F228 PolarHBondContact O-N 2.87Å; V225-F228 WeakPolarHBondContact O-CB 3.5Å; V225-F228 PolarHBondContact O-N 3.42Å; G226-F228 PolarHBondContact O-N 3.24Å; F228-V231 PolarHBondContact O-N 3.24Å; F228-Y232 PolarHBondContact O-N 2.88Å; F228-Y236 HydrophobicContact CD2-CE2 4.23Å; F228-F294 HydrophobicContact CB-CE2 4.45Å; F228-F294 HydrophobicContact CD1-CE2 4.26Å; F228-F294 AromaticContact CD1-CZ 3.82Å; F228-F294 HydrophobicContact CD1-CZ 3.82Å; F228-F294 HydrophobicContact CE1-CZ 4.46Å
229L95.8Very high95.3Very high22 Ų2243.2 Ų43.212%0.11522%0.217CC..Hα-helixtrans-66.9-35.8174.8-69.6-176.4000112.5V225 G226 Q227 V231 Y232 P233 V235 L238V225-L229 PolarHBondContact O-N 3.1Å; V225-L229 VanDerWaalsContact O-N 3.12Å; G226-L229 PolarHBondContact O-N 3.24Å; Q227-L229 VanDerWaalsContact C-N 3.32Å; Q227-L229 PolarHBondContact O-N 3.37Å; L229-V231 VanDerWaalsContact C-N 3.33Å; L229-V231 PolarHBondContact O-N 3.33Å; L229-Y232 CarbonylContact O-C 3.56Å; L229-P233 WeakPolarHBondContact O-CA 3.48Å; L229-P233 WeakPolarHBondContact O-CD 3.4Å; L229-P233 VanDerWaalsContact O-CG 3.31Å; L229-P233 WeakPolarHBondContact O-CG 3.47Å; L229-P233 VanDerWaalsContact O-N 3.16Å; L229-V235 HydrophobicContact CD2-CG1 4.15Å; L229-L238 HydrophobicContact CD1-CD1 3.56Å; L229-L238 HydrophobicContact CD1-CG 4.11Å; L229-L238 HydrophobicContact CG-CD1 4.47Å
230T95.9Very high95.3Very high65 Ų6539.4 Ų39.440%0.39919%0.194SC..Hα-helixtrans-61.6-40.9175-48.20000112G226 Q227 I343 V344 S346G226-T230 PolarHBondContact O-N 3.22Å; G226-T230 PolarHBondContact O-OG1 3.32Å; G226-T230 VanDerWaalsContact O-OG1 3.06Å; Q227-T230 PolarHBondContact O-N 2.65Å; T230-I343 HydrophobicContact CG2-CG2 3.91Å; T230-V344 WeakPolarHBondContact CB-O 3.33Å; T230-V344 WeakPolarHBondContact CG2-O 3.39Å; T230-V344 PolarHBondContact OG1-O 3.11Å; T230-S346 PolarHBondContact OG1-N 2.94Å
231V95.7Very high94.9Very high21 Ų2142.5 Ų42.513%0.12721%0.208CC..Hα-helixtrans-78.9-38.4179.9176.70000112.1L182 Q227 F228 L229 F294 L297 L298 I343L182-V231 HydrophobicContact CD2-CG2 4.31Å; Q227-V231 PolarHBondContact O-N 3.34Å; Q227-V231 VanDerWaalsContact O-N 3.16Å; F228-V231 PolarHBondContact O-N 3.24Å; L229-V231 VanDerWaalsContact C-N 3.33Å; L229-V231 PolarHBondContact O-N 3.33Å; V231-F294 HydrophobicContact CB-CD2 4.35Å; V231-F294 HydrophobicContact CB-CE2 3.65Å; V231-F294 HydrophobicContact CB-CZ 4.08Å; V231-F294 HydrophobicContact CG1-CD2 3.85Å; V231-F294 HydrophobicContact CG1-CE2 3.59Å; V231-F294 HydrophobicContact CG1-CG 4.49Å; V231-F294 HydrophobicContact CG1-CZ 4.03Å; V231-F294 HydrophobicContact CG2-CE2 4.4Å; V231-F294 HydrophobicContact CG2-CZ 4.34Å; V231-L297 HydrophobicContact CG1-CB 3.76Å; V231-L298 HydrophobicContact CG1-CD2 3.94Å; V231-L298 HydrophobicContact CG1-CG 4.26Å; V231-L298 HydrophobicContact CG2-CD2 3.9Å; V231-I343 HydrophobicContact CG2-CD1 3.56Å; V231-I343 HydrophobicContact CG2-CG1 4.36Å; V231-I343 HydrophobicContact CG2-CG2 4.21Å
232Y95.8Very high94.5Very high5 Ų543 Ų432%0.0221%0.209CC..  trans-141.874-169.9-171-167.2000110.7F186 F228 L229 M234 V235 D266 R293 F294 L297F186-Y232 HydrophobicContact CZ-CD1 4.37Å; F228-Y232 PolarHBondContact O-N 2.88Å; L229-Y232 CarbonylContact O-C 3.56Å; Y232-M234 PolarHBondContact O-N 3.28Å; Y232-V235 HydrophobicContact CD1-CB 3.53Å; Y232-V235 HydrophobicContact CD1-CG1 4.42Å; Y232-V235 HydrophobicContact CD1-CG2 3.43Å; Y232-V235 VanDerWaalsContact CD1-CG2 3.43Å; Y232-V235 HydrophobicContact CD2-CB 4.28Å; Y232-V235 HydrophobicContact CE1-CB 3.86Å; Y232-V235 HydrophobicContact CE1-CG2 3.51Å; Y232-V235 HydrophobicContact CG-CB 3.75Å; Y232-V235 HydrophobicContact CG-CG1 4.47Å; Y232-V235 HydrophobicContact CG-CG2 4.19Å; Y232-V235 VanDerWaalsContact O-CB 3.25Å; Y232-V235 WeakPolarHBondContact O-CB 3.47Å; Y232-V235 WeakPolarHBondContact O-CG1 3.41Å; Y232-V235 PolarHBondContact O-N 2.87Å; Y232-V235 VanDerWaalsContact O-N 3.12Å; Y232-D266 HydrophobicContact CE2-CB 4.45Å; Y232-D266 VanDerWaalsContact CE2-O 3.29Å; Y232-D266 WeakPolarHBondContact CE2-O 3.38Å; Y232-D266 WeakPolarHBondContact OH-CB 3.35Å; Y232-D266 PolarHBondContact OH-O 3.37Å; Y232-D266 PolarHBondContact OH-OD2 2.81Å; Y232-R293 HydrophobicContact CE1-CB 4.41Å; Y232-R293 HydrophobicContact CE1-CG 4.26Å; Y232-R293 HydrophobicContact CE2-CG 3.98Å; Y232-F294 HydrophobicContact CD1-CB 4.45Å; Y232-F294 HydrophobicContact CD1-CD2 4.01Å; Y232-F294 HydrophobicContact CG-CD2 4.43Å; Y232-L297 HydrophobicContact CD2-CD1 3.91Å; Y232-L297 HydrophobicContact CG-CD1 3.92Å
233P93.6Very high93.8Very high58 Ų5843.3 Ų43.338%0.37721%0.21SC..THydrogen-bonded Turntrans-56.8-28.6-168-27.333.4000115.7L160 L162 L229 V235L160-P233 HydrophobicContact CD2-CG 4.44Å; L162-P233 HydrophobicContact CD1-CG 4.19Å; L229-P233 WeakPolarHBondContact O-CA 3.48Å; L229-P233 WeakPolarHBondContact O-CD 3.4Å; L229-P233 VanDerWaalsContact O-CG 3.31Å; L229-P233 WeakPolarHBondContact O-CG 3.47Å; L229-P233 VanDerWaalsContact O-N 3.16Å; P233-V235 VanDerWaalsContact C-N 3.33Å; P233-V235 PolarHBondContact O-N 3.46Å
234M90.9Very high92.8Very high73 Ų7346.1 Ų46.136%0.3622%0.218SC..THydrogen-bonded Turntrans-88.56.7-174.8-53.5-171.181.900113.9Y232 N262 T265Y232-M234 PolarHBondContact O-N 3.28Å; M234-N262 WeakPolarHBondContact O-CB 3.49Å; M234-N262 PolarHBondContact O-ND2 3.02Å; M234-T265 WeakPolarHBondContact CE-O 3.26Å
235V94.5Very high91.6Very high0 Ų045.8 Ų45.80%022%0.217CC..SBendtrans-77.5-36.9-167.371.50000115F186 L229 Y232 P233 N262 R290F186-V235 HydrophobicContact CE2-CG2 3.67Å; F186-V235 HydrophobicContact CZ-CG2 3.76Å; L229-V235 HydrophobicContact CD2-CG1 4.15Å; Y232-V235 HydrophobicContact CD1-CB 3.53Å; Y232-V235 HydrophobicContact CD1-CG1 4.42Å; Y232-V235 HydrophobicContact CD1-CG2 3.43Å; Y232-V235 VanDerWaalsContact CD1-CG2 3.43Å; Y232-V235 HydrophobicContact CD2-CB 4.28Å; Y232-V235 HydrophobicContact CE1-CB 3.86Å; Y232-V235 HydrophobicContact CE1-CG2 3.51Å; Y232-V235 HydrophobicContact CG-CB 3.75Å; Y232-V235 HydrophobicContact CG-CG1 4.47Å; Y232-V235 HydrophobicContact CG-CG2 4.19Å; Y232-V235 VanDerWaalsContact O-CB 3.25Å; Y232-V235 WeakPolarHBondContact O-CB 3.47Å; Y232-V235 WeakPolarHBondContact O-CG1 3.41Å; Y232-V235 PolarHBondContact O-N 2.87Å; Y232-V235 VanDerWaalsContact O-N 3.12Å; P233-V235 VanDerWaalsContact C-N 3.33Å; P233-V235 PolarHBondContact O-N 3.46Å; V235-N262 PolarHBondContact O-N 3.46Å; V235-R290 VanDerWaalsContact CG2-NH2 3.26Å; V235-R290 PolarHBondContact O-NH1 2.98Å; V235-R290 PolarHBondContact O-NH2 2.97Å
236Y95.7Very high90.3Very high7 Ų754 Ų543%0.02725%0.253CS..EExtended strand (participates in β ladder)trans-138.5141.6-179.9-61.1-58.8000110.5F186 D190 V193 F228 L259 S260 P261F186-Y236 HydrophobicContact CE2-CE2 4.31Å; D190-Y236 WeakPolarHBondContact CA-OH 3.47Å; D190-Y236 PolarHBondContact N-OH 3Å; D190-Y236 PolarHBondContact OD1-OH 3.46Å; V193-Y236 HydrophobicContact CB-CE1 4.37Å; V193-Y236 HydrophobicContact CG1-CE1 4.03Å; V193-Y236 HydrophobicContact CG2-CE1 4.19Å; F228-Y236 HydrophobicContact CD2-CE2 4.23Å; Y236-L259 HydrophobicContact CD1-CB 4.4Å; Y236-L259 HydrophobicContact CD2-CD2 4.24Å; Y236-L259 HydrophobicContact CE2-CD2 4.2Å; Y236-S260 CarbonylContact C-O 3.17Å; Y236-S260 WeakPolarHBondContact CA-O 3.23Å; Y236-P261 HydrophobicContact CD1-CB 4.43Å
237F94.3Very high89.2Confident126 Ų12662.8 Ų62.855%0.55329%0.291SS*.EExtended strand (participates in β ladder)trans-90.5120.3160.3-58.7-72.7000108.6S260 N262F237-S260 PolarHBondContact N-O 2.83Å; F237-S260 WeakPolarHBondContact O-CB 3.31Å; F237-S260 PolarHBondContact O-N 3.06Å; F237-N262 HydrophobicContact CD2-CB 4.07Å; F237-N262 HydrophobicContact CE2-CB 3.54Å; F237-N262 HydrophobicContact CZ-CB 4.1Å
238L95.5Very high88.1Confident29 Ų2964.3 Ų64.315%0.15230%0.304CS..EExtended strand (participates in β ladder)trans-98.2138.4179.5-58.9-168000111.2V225 L229 L257 L259 L348 P349V225-L238 HydrophobicContact CG1-CD1 3.97Å; V225-L238 HydrophobicContact CG1-CD2 4.07Å; L229-L238 HydrophobicContact CD1-CD1 3.56Å; L229-L238 HydrophobicContact CD1-CG 4.11Å; L229-L238 HydrophobicContact CG-CD1 4.47Å; L238-L257 HydrophobicContact CB-CD1 4.21Å; L238-L257 HydrophobicContact CD1-CD1 4.45Å; L238-L259 HydrophobicContact CD2-CB 4.34Å; L238-L259 HydrophobicContact CD2-CD1 4.17Å; L238-L259 HydrophobicContact CD2-CG 3.73Å; L238-L348 HydrophobicContact CD1-CD2 3.6Å; L238-P349 HydrophobicContact CB-CG 3.71Å
239R93.9Very high86.6Confident107 Ų10771.2 Ų71.240%0.40434%0.336SS..EExtended strand (participates in β ladder)trans-152.8153.4172.762.6-171-173.777.46.4110.3E241 V258R239-E241 IonicContact CZ-OE2 3.02Å; R239-E241 IonicContact NH1-OE2 3.47Å; R239-E241 PolarHBondContact NH1-OE2 2.8Å; R239-E241 IonicContact NH2-OE2 2.72Å; R239-E241 PolarHBondContact NH2-OE2 3.24Å; R239-V258 HydrophobicContact CG-CB 4.11Å; R239-V258 PolarHBondContact N-O 2.93Å; R239-V258 WeakPolarHBondContact O-CB 3.41Å; R239-V258 PolarHBondContact O-N 2.93Å
240Y92.6Very high85.2Confident35 Ų3579 Ų7914%0.13736%0.364CS..EExtended strand (participates in β ladder)trans-90.7140.1169-84.5-83.8000110.7E222 V256 L257 P349 R351E222-Y240 PolarHBondContact OE2-OH 3.02Å; Y240-V256 WeakPolarHBondContact CA-O 3.49Å; Y240-V256 VanDerWaalsContact CD1-C 3.47Å; Y240-L257 HydrophobicContact CD1-CB 4.42Å; Y240-L257 HydrophobicContact CD2-CD1 4.27Å; Y240-L257 HydrophobicContact CE1-CB 3.9Å; Y240-L257 HydrophobicContact CE2-CD1 3.9Å; Y240-P349 HydrophobicContact CD2-CB 4.28Å; Y240-P349 WeakPolarHBondContact CE2-O 3.48Å; Y240-R351 HydrophobicContact CD1-CB 4.46Å; Y240-R351 HydrophobicContact CD1-CG 3.9Å; Y240-R351 HydrophobicContact CD2-CB 4.3Å; Y240-R351 HydrophobicContact CE1-CB 4.06Å; Y240-R351 HydrophobicContact CE1-CG 3.61Å; Y240-R351 HydrophobicContact CE2-CB 3.9Å; Y240-R351 HydrophobicContact CE2-CG 4.34Å; Y240-R351 HydrophobicContact CG-CG 4.36Å; Y240-R351 PolarHBondContact OH-NE 3.04Å; Y240-R351 VanDerWaalsContact OH-NE 3.09Å; Y240-R351 PolarHBondContact OH-NH2 3.43Å
241E89.9Confident83.8Confident65 Ų6580.7 Ų80.730%0.30437%0.37SS..EExtended strand (participates in β ladder)trans-129.9146.9175.4-171163171.200110.6L202 R239 Q243 Y255 V256 V258L202-E241 VanDerWaalsContact CD1-OE2 3.32Å; L202-E241 WeakPolarHBondContact CD1-OE2 3.47Å; L202-E241 HydrophobicContact CD2-CG 4.48Å; R239-E241 IonicContact CZ-OE2 3.02Å; R239-E241 IonicContact NH1-OE2 3.47Å; R239-E241 PolarHBondContact NH1-OE2 2.8Å; R239-E241 IonicContact NH2-OE2 2.72Å; R239-E241 PolarHBondContact NH2-OE2 3.24Å; E241-Q243 PolarHBondContact O-N 2.94Å; E241-Y255 CarbonylContact O-C 3.57Å; E241-Y255 WeakPolarHBondContact O-CA 3.4Å; E241-V256 PolarHBondContact N-O 3.36Å; E241-V256 PolarHBondContact O-N 3.17Å; E241-V258 HydrophobicContact CB-CG2 3.84Å
242K86.3Confident82.5Confident95 Ų9583 Ų8341%0.41338%0.382SS..EExtended strand (participates in β ladder)trans-71.6127.7179.1-71.4-174.8172.9-174.20110.1L251 Y255K242-L251 HydrophobicContact CB-CD2 4.03Å; K242-Y255 HydrophobicContact CD-CE1 4.04Å; K242-Y255 WeakPolarHBondContact CE-OH 3.44Å; K242-Y255 HydrophobicContact CG-CD1 3.69Å; K242-Y255 HydrophobicContact CG-CE1 3.44Å; K242-Y255 VanDerWaalsContact CG-CE1 3.44Å; K242-Y255 PolarHBondContact NZ-OH 3.1Å
243Q79.9Confident81.2Confident53 Ų5385.1 Ų85.125%0.24840%0.404CS..EExtended strand (participates in β ladder)trans-76.8127.7176.9-150.4-176.130.900109.7D206 E241 N252 N254 V256D206-Q243 PolarHBondContact OD2-NE2 3.14Å; E241-Q243 PolarHBondContact O-N 2.94Å; Q243-N252 PolarHBondContact O-N 3.4Å; Q243-N252 VanDerWaalsContact O-N 3.16Å; Q243-N254 HydrophobicContact CB-CB 4.27Å; Q243-N254 PolarHBondContact N-O 3.1Å; Q243-V256 HydrophobicContact CB-CG2 4.06Å; Q243-V256 HydrophobicContact CG-CG2 3.98Å
244F74Confident80.6Confident124 Ų12486.8 Ų86.854%0.54441%0.41SS..EExtended strand (participates in β ladder)trans-80.3144.4164.8-68.2-90.2000109.6R250 L251F244-R250 WeakPolarHBondContact CA-O 3.39Å; F244-L251 HydrophobicContact CD1-CD2 3.91Å; F244-L251 HydrophobicContact CE1-CD2 3.56Å; F244-L251 HydrophobicContact CE1-CG 4.29Å; F244-L251 HydrophobicContact CE2-CD2 4.3Å; F244-L251 HydrophobicContact CG-CD2 4.42Å; F244-L251 HydrophobicContact CZ-CD2 3.78Å
245D72Confident80.4Confident32 Ų3284.9 Ų84.917%0.17140%0.399CS..PPolyproline II helixtrans-64.7142.4169.2-168.626.9000111.5F247 T248 H249 R250 N252D245-F247 VanDerWaalsContact C-N 3.3Å; D245-F247 PolarHBondContact O-N 3.24Å; D245-T248 VanDerWaalsContact CB-OG1 3.27Å; D245-T248 WeakPolarHBondContact CB-OG1 3.31Å; D245-T248 VanDerWaalsContact OD2-CB 3.3Å; D245-T248 WeakPolarHBondContact OD2-CB 3.28Å; D245-T248 WeakPolarHBondContact OD2-CG2 3.46Å; D245-T248 PolarHBondContact OD2-N 3.26Å; D245-T248 PolarHBondContact OD2-OG1 3.43Å; D245-H249 WeakPolarHBondContact O-CA 3.42Å; D245-H249 PolarHBondContact O-N 2.9Å; D245-R250 PolarHBondContact N-O 3.37Å; D245-N252 WeakPolarHBondContact CA-ND2 3.23Å; D245-N252 WeakPolarHBondContact CB-ND2 3.47Å; D245-N252 WeakPolarHBondContact CB-OD1 3.49Å; D245-N252 PolarHBondContact OD1-ND2 3.39Å
246K70Confident80.3Confident171 Ų17186 Ų8674%0.74341%0.406SS*.THydrogen-bonded Turntrans-73.5-23.1178.7-65.3-177.9-177.9176.80112.6
247F72.6Confident80.2Confident185 Ų18585.7 Ų85.781%0.81141%0.405SS*.THydrogen-bonded Turntrans-109.2-49.9-174.4-60.2-75.1000113D245D245-F247 VanDerWaalsContact C-N 3.3Å; D245-F247 PolarHBondContact O-N 3.24Å
248T73.7Confident80.3Confident77 Ų7779.8 Ų79.847%0.47238%0.379SS..THydrogen-bonded Turntrans-87.5-9.7-177.664.80000114D245 R250D245-T248 VanDerWaalsContact CB-OG1 3.27Å; D245-T248 WeakPolarHBondContact CB-OG1 3.31Å; D245-T248 VanDerWaalsContact OD2-CB 3.3Å; D245-T248 WeakPolarHBondContact OD2-CB 3.28Å; D245-T248 WeakPolarHBondContact OD2-CG2 3.46Å; D245-T248 PolarHBondContact OD2-N 3.26Å; D245-T248 PolarHBondContact OD2-OG1 3.43Å; T248-R250 PolarHBondContact O-N 2.91Å; T248-R250 PolarHBondContact OG1-N 2.95Å
249H66.6Low80.4Confident145 Ų14578.4 Ų78.467%0.67137%0.372SS*.  trans52.516.8-169.2-65.4-73.3000114.9D245D245-H249 WeakPolarHBondContact O-CA 3.42Å; D245-H249 PolarHBondContact O-N 2.9Å
250R66.4Low80.4Confident186 Ų18675 Ų7570%0.70237%0.365SS*.SBendtrans-84.9159.9177.2-66.2173.5-174.4-118.2-3.1110.5F244 D245 T248 N252F244-R250 WeakPolarHBondContact CA-O 3.39Å; D245-R250 PolarHBondContact N-O 3.37Å; T248-R250 PolarHBondContact O-N 2.91Å; T248-R250 PolarHBondContact OG1-N 2.95Å; R250-N252 PolarHBondContact O-N 2.96Å
251L66.9Low80.5Confident100 Ų10074 Ų7452%0.52436%0.362SS..EExtended strand (participates in β ladder)trans-73.4112.2172.4-65.2170.9000108.7K242 F244 G253K242-L251 HydrophobicContact CB-CD2 4.03Å; F244-L251 HydrophobicContact CD1-CD2 3.91Å; F244-L251 HydrophobicContact CE1-CD2 3.56Å; F244-L251 HydrophobicContact CE1-CG 4.29Å; F244-L251 HydrophobicContact CE2-CD2 4.3Å; F244-L251 HydrophobicContact CG-CD2 4.42Å; F244-L251 HydrophobicContact CZ-CD2 3.78Å; L251-G253 PolarHBondContact O-N 2.85Å; L251-G253 VanDerWaalsContact O-N 3.08Å
252N67.5Low80.6Confident71 Ų7171.1 Ų71.138%0.3835%0.349SS..EExtended strand (participates in β ladder)trans-758.3-176.9-87.4-10.8000114Q243 D245 R250 N254Q243-N252 PolarHBondContact O-N 3.4Å; Q243-N252 VanDerWaalsContact O-N 3.16Å; D245-N252 WeakPolarHBondContact CA-ND2 3.23Å; D245-N252 WeakPolarHBondContact CB-ND2 3.47Å; D245-N252 WeakPolarHBondContact CB-OD1 3.49Å; D245-N252 PolarHBondContact OD1-ND2 3.39Å; R250-N252 PolarHBondContact O-N 2.96Å; N252-N254 PolarHBondContact O-N 3.09Å
253G69.5Low80.8Confident48 Ų4867 Ų6750%0.49533%0.331SS..EExtended strand (participates in β ladder)trans72.2-32.2-173.100000114L251 Y255L251-G253 PolarHBondContact O-N 2.85Å; L251-G253 VanDerWaalsContact O-N 3.08Å; G253-Y255 VanDerWaalsContact O-CD2 3.29Å; G253-Y255 WeakPolarHBondContact O-CD2 3.31Å; G253-Y255 WeakPolarHBondContact O-CE2 3.43Å
254N80.3Confident81Confident94 Ų9470.3 Ų70.350%0.50334%0.341SS..EExtended strand (participates in β ladder)trans-56.4137.6176.7-64.2-14.4000112.3Q243 N252Q243-N254 HydrophobicContact CB-CB 4.27Å; Q243-N254 PolarHBondContact N-O 3.1Å; N252-N254 PolarHBondContact O-N 3.09Å
255Y87.1Confident81.4Confident33 Ų3368.1 Ų68.113%0.12934%0.338CS..EExtended strand (participates in β ladder)trans-110.6133.6170.5-62.3-97.8000109.2E241 K242 G253 P352 E356E241-Y255 CarbonylContact O-C 3.57Å; E241-Y255 WeakPolarHBondContact O-CA 3.4Å; K242-Y255 HydrophobicContact CD-CE1 4.04Å; K242-Y255 WeakPolarHBondContact CE-OH 3.44Å; K242-Y255 HydrophobicContact CG-CD1 3.69Å; K242-Y255 HydrophobicContact CG-CE1 3.44Å; K242-Y255 VanDerWaalsContact CG-CE1 3.44Å; K242-Y255 PolarHBondContact NZ-OH 3.1Å; G253-Y255 VanDerWaalsContact O-CD2 3.29Å; G253-Y255 WeakPolarHBondContact O-CD2 3.31Å; G253-Y255 WeakPolarHBondContact O-CE2 3.43Å; Y255-P352 HydrophobicContact CD1-CB 4.03Å; Y255-P352 HydrophobicContact CD1-CG 3.76Å; Y255-P352 HydrophobicContact CD2-CB 4.34Å; Y255-P352 HydrophobicContact CE1-CB 3.61Å; Y255-P352 HydrophobicContact CE1-CG 3.72Å; Y255-P352 HydrophobicContact CE2-CB 3.96Å; Y255-P352 HydrophobicContact CG-CB 4.37Å; Y255-P352 HydrophobicContact CG-CG 4.28Å; Y255-E356 PolarHBondContact OH-OE1 2.98Å
256V91.4Very high81.9Confident23 Ų2366.8 Ų66.814%0.13933%0.331CS..EExtended strand (participates in β ladder)trans-115140.3178.2-178.60000109.9F205 D206 Y240 E241 Q243F205-V256 HydrophobicContact CB-CG1 4.4Å; D206-V256 HydrophobicContact CB-CG1 4.13Å; Y240-V256 WeakPolarHBondContact CA-O 3.49Å; Y240-V256 VanDerWaalsContact CD1-C 3.47Å; E241-V256 PolarHBondContact N-O 3.36Å; E241-V256 PolarHBondContact O-N 3.17Å; Q243-V256 HydrophobicContact CB-CG2 4.06Å; Q243-V256 HydrophobicContact CG-CG2 3.98Å
257L94.9Very high82.3Confident1 Ų160.9 Ų60.91%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-68.8132.4175-177.566.3000110.3F205 E222 L238 Y240 L259 L348F205-L257 HydrophobicContact CB-CB 4.02Å; F205-L257 WeakPolarHBondContact CB-O 3.49Å; F205-L257 PolarHBondContact N-O 2.8Å; E222-L257 HydrophobicContact CB-CD2 4.42Å; E222-L257 HydrophobicContact CG-CD2 3.99Å; L238-L257 HydrophobicContact CB-CD1 4.21Å; L238-L257 HydrophobicContact CD1-CD1 4.45Å; Y240-L257 HydrophobicContact CD1-CB 4.42Å; Y240-L257 HydrophobicContact CD2-CD1 4.27Å; Y240-L257 HydrophobicContact CE1-CB 3.9Å; Y240-L257 HydrophobicContact CE2-CD1 3.9Å; L257-L259 HydrophobicContact CD2-CD1 4.24Å; L257-L259 HydrophobicContact CG-CD1 4.14Å; L257-L348 HydrophobicContact CD2-CD1 4.49Å
258V95.9Very high82.7Confident1 Ų152.7 Ų52.71%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-117.2125.4-179.6179.50000109.8L202 C203 R239 E241L202-V258 HydrophobicContact CD1-CB 4.46Å; L202-V258 HydrophobicContact CD1-CG1 3.6Å; L202-V258 HydrophobicContact CD1-CG2 3.97Å; L202-V258 HydrophobicContact CD2-CG2 4.1Å; L202-V258 HydrophobicContact CG-CG1 4.21Å; L202-V258 HydrophobicContact CG-CG2 4.09Å; C203-V258 WeakPolarHBondContact O-CA 3.36Å; R239-V258 HydrophobicContact CG-CB 4.11Å; R239-V258 PolarHBondContact N-O 2.93Å; R239-V258 WeakPolarHBondContact O-CB 3.41Å; R239-V258 PolarHBondContact O-N 2.93Å; E241-V258 HydrophobicContact CB-CG2 3.84Å
259L96.8Very high82.5Confident0 Ų055 Ų550%029%0.287CS..EExtended strand (participates in β ladder)trans-97.899.5178.2-77.468.6000109.3V193 C203 F205 I208 V225 Y236 L238 L257V193-L259 HydrophobicContact CG2-CB 4.34Å; V193-L259 HydrophobicContact CG2-CD2 4.45Å; C203-L259 WeakPolarHBondContact CB-O 3.33Å; C203-L259 PolarHBondContact O-N 3.14Å; F205-L259 HydrophobicContact CD2-CD1 4.24Å; I208-L259 HydrophobicContact CD1-CB 4.03Å; I208-L259 HydrophobicContact CD1-CD1 4.25Å; I208-L259 HydrophobicContact CD1-CD2 4.2Å; I208-L259 HydrophobicContact CD1-CG 4.37Å; V225-L259 HydrophobicContact CG1-CD1 4.47Å; V225-L259 HydrophobicContact CG1-CD2 3.97Å; V225-L259 HydrophobicContact CG1-CG 4.21Å; V225-L259 HydrophobicContact CG2-CD2 4.18Å; Y236-L259 HydrophobicContact CD1-CB 4.4Å; Y236-L259 HydrophobicContact CD2-CD2 4.24Å; Y236-L259 HydrophobicContact CE2-CD2 4.2Å; L238-L259 HydrophobicContact CD2-CB 4.34Å; L238-L259 HydrophobicContact CD2-CD1 4.17Å; L238-L259 HydrophobicContact CD2-CG 3.73Å; L257-L259 HydrophobicContact CD2-CD1 4.24Å; L257-L259 HydrophobicContact CG-CD1 4.14Å
260S94.6Very high82.4Confident37 Ų3752.2 Ų52.226%0.25928%0.281SS..EExtended strand (participates in β ladder)trans-93.2115.6177.5-54.40000109.9Y236 F237 N262Y236-S260 CarbonylContact C-O 3.17Å; Y236-S260 WeakPolarHBondContact CA-O 3.23Å; F237-S260 PolarHBondContact N-O 2.83Å; F237-S260 WeakPolarHBondContact O-CB 3.31Å; F237-S260 PolarHBondContact O-N 3.06Å; S260-N262 PolarHBondContact O-N 3.44Å
261P94.8Very high81.9Confident12 Ų1244.8 Ų44.88%0.07826%0.262CS..EExtended strand (participates in β ladder)trans-68.9128.4-175.528.1-34.4000112V193 H197 Y236 L263 F282V193-P261 HydrophobicContact CG1-CB 3.92Å; V193-P261 HydrophobicContact CG1-CG 3.78Å; H197-P261 HydrophobicContact CB-CG 4.01Å; H197-P261 VanDerWaalsContact CD2-CG 3.42Å; H197-P261 WeakPolarHBondContact CD2-CG 3.43Å; Y236-P261 HydrophobicContact CD1-CB 4.43Å; P261-L263 HydrophobicContact CB-CD2 4.28Å; P261-L263 HydrophobicContact CB-CG 4.28Å; P261-L263 PolarHBondContact O-N 2.71Å; P261-F282 HydrophobicContact CB-CD1 3.9Å; P261-F282 HydrophobicContact CB-CE1 3.64Å; P261-F282 HydrophobicContact CG-CD1 3.92Å; P261-F282 HydrophobicContact CG-CE1 4.13Å
262N92.3Very high81.3Confident5 Ų549.1 Ų49.13%0.02728%0.279CS..  trans-77.8105.9170.2-176.55.6000109.5M234 V235 F237 S260 R264 T265 D266 R290M234-N262 WeakPolarHBondContact O-CB 3.49Å; M234-N262 PolarHBondContact O-ND2 3.02Å; V235-N262 PolarHBondContact O-N 3.46Å; F237-N262 HydrophobicContact CD2-CB 4.07Å; F237-N262 HydrophobicContact CE2-CB 3.54Å; F237-N262 HydrophobicContact CZ-CB 4.1Å; S260-N262 PolarHBondContact O-N 3.44Å; N262-R264 PolarHBondContact OD1-N 3.44Å; N262-R264 VanDerWaalsContact OD1-N 3.11Å; N262-T265 VanDerWaalsContact ND2-C 3.34Å; N262-T265 PolarHBondContact ND2-OG1 3.39Å; N262-T265 PolarHBondContact OD1-N 2.86Å; N262-T265 PolarHBondContact OD1-OG1 3.48Å; N262-D266 HydrophobicContact CB-CB 4.42Å; N262-D266 PolarHBondContact ND2-N 2.95Å; N262-D266 WeakPolarHBondContact O-CB 3.36Å; N262-R290 PolarHBondContact O-NH1 3.39Å
263L89.5Confident80.7Confident9 Ų953 Ų535%0.04730%0.3CS..  trans-104.79178.2-58176.6000113P261 L280 F282 R286P261-L263 HydrophobicContact CB-CD2 4.28Å; P261-L263 HydrophobicContact CB-CG 4.28Å; P261-L263 PolarHBondContact O-N 2.71Å; L263-L280 HydrophobicContact CB-CB 4.24Å; L263-L280 HydrophobicContact CB-CD2 4.19Å; L263-L280 HydrophobicContact CD1-CB 4.32Å; L263-L280 WeakPolarHBondContact CD1-O 3.37Å; L263-L280 WeakPolarHBondContact O-CD2 3.26Å; L263-F282 HydrophobicContact CD1-CB 3.78Å; L263-F282 HydrophobicContact CD1-CD1 4.26Å; L263-F282 HydrophobicContact CD1-CG 4.03Å; L263-F282 HydrophobicContact CD2-CB 4.43Å; L263-F282 HydrophobicContact CD2-CD1 3.94Å; L263-F282 HydrophobicContact CD2-CD2 3.87Å; L263-F282 HydrophobicContact CD2-CE1 4.13Å; L263-F282 HydrophobicContact CD2-CE2 4.04Å; L263-F282 HydrophobicContact CD2-CG 3.81Å; L263-F282 HydrophobicContact CD2-CZ 4.16Å; L263-R286 PolarHBondContact O-NH2 2.83Å
264R84.2Confident80.1Confident122 Ų12252.5 Ų52.546%0.4629%0.289SS..SBendtrans-112.7-49.8-176.3-73.7-177.3163.685.94.6113N262 G278 L280N262-R264 PolarHBondContact OD1-N 3.44Å; N262-R264 VanDerWaalsContact OD1-N 3.11Å; R264-G278 PolarHBondContact NH2-O 3.49Å; R264-L280 HydrophobicContact CG-CD2 3.89Å; R264-L280 VanDerWaalsContact NH2-CD1 3.3Å
265T83Confident79Confident79 Ų7951.3 Ų51.349%0.48529%0.286SS..SBendtrans-124.422.5-169.858.20000113.2M234 N262 G267M234-T265 WeakPolarHBondContact CE-O 3.26Å; N262-T265 VanDerWaalsContact ND2-C 3.34Å; N262-T265 PolarHBondContact ND2-OG1 3.39Å; N262-T265 PolarHBondContact OD1-N 2.86Å; N262-T265 PolarHBondContact OD1-OG1 3.48Å; T265-G267 PolarHBondContact O-N 3.45Å
266D82.3Confident77.8Confident4 Ų455.5 Ų55.52%0.02132%0.321CS..SBendtrans-74.6-0.3176.476.2-12000113.6Y232 N262 T268 R290Y232-D266 HydrophobicContact CE2-CB 4.45Å; Y232-D266 VanDerWaalsContact CE2-O 3.29Å; Y232-D266 WeakPolarHBondContact CE2-O 3.38Å; Y232-D266 WeakPolarHBondContact OH-CB 3.35Å; Y232-D266 PolarHBondContact OH-O 3.37Å; Y232-D266 PolarHBondContact OH-OD2 2.81Å; N262-D266 HydrophobicContact CB-CB 4.42Å; N262-D266 PolarHBondContact ND2-N 2.95Å; N262-D266 WeakPolarHBondContact O-CB 3.36Å; D266-T268 VanDerWaalsContact C-N 3.27Å; D266-T268 PolarHBondContact O-N 3.24Å; D266-T268 WeakPolarHBondContact OD1-CB 3.47Å; D266-T268 PolarHBondContact OD1-N 3.04Å; D266-T268 PolarHBondContact OD1-OG1 3.47Å; D266-T268 PolarHBondContact OD2-OG1 3.33Å; D266-R290 WeakPolarHBondContact OD2-CD 3.31Å; D266-R290 WeakPolarHBondContact OD2-CG 3.24Å; D266-R290 IonicContact OD2-CZ 3.18Å; D266-R290 IonicContact OD2-NE 3.15Å; D266-R290 IonicContact OD2-NH1 2.75Å; D266-R290 PolarHBondContact OD2-NH1 3.39Å
267G77.1Confident76.3Confident47 Ų4762.6 Ų62.649%0.48535%0.349SS..SBendtrans796-179.300000114.1T265T265-G267 PolarHBondContact O-N 3.45Å
268T81.1Confident75.3Confident12 Ų1264.9 Ų64.97%0.07437%0.373CS..SBendtrans-88.1144.3169.967.80000111.4D266 V270 R286 Q289 R290 R293D266-T268 VanDerWaalsContact C-N 3.27Å; D266-T268 PolarHBondContact O-N 3.24Å; D266-T268 WeakPolarHBondContact OD1-CB 3.47Å; D266-T268 PolarHBondContact OD1-N 3.04Å; D266-T268 PolarHBondContact OD1-OG1 3.47Å; D266-T268 PolarHBondContact OD2-OG1 3.33Å; T268-V270 PolarHBondContact O-N 3.44Å; T268-V270 VanDerWaalsContact O-N 3.13Å; T268-R286 PolarHBondContact O-NH1 3.25Å; T268-R286 PolarHBondContact OG1-NH1 2.71Å; T268-Q289 HydrophobicContact CG2-CB 3.87Å; T268-Q289 PolarHBondContact OG1-OE1 3.2Å; T268-R290 HydrophobicContact CG2-CG 3.98Å; T268-R293 HydrophobicContact CG2-CB 4.36Å
269K70.7Confident74.8Confident125 Ų12569 Ų6954%0.54339%0.391SS..  trans-63.6114.8-171-64.4-169.4177.5-173.50112D166 G271 R286 Q289D166-K269 WeakPolarHBondContact OD1-CE 3.32Å; D166-K269 IonicContact OD1-NZ 3.28Å; D166-K269 PolarHBondContact OD1-NZ 2.95Å; D166-K269 WeakPolarHBondContact OD2-CE 3.38Å; D166-K269 IonicContact OD2-NZ 3.36Å; D166-K269 PolarHBondContact OD2-NZ 2.78Å; K269-G271 PolarHBondContact O-N 3.37Å; K269-R286 PolarHBondContact O-NH1 3.49Å; K269-Q289 PolarHBondContact O-NE2 2.97Å; K269-Q289 PolarHBondContact O-OE1 3.25Å
270V65.3Low74.3Confident88 Ų8869.6 Ų69.653%0.53339%0.394SS..  trans-56.5121.4-176.1-178.40000110.2T268 H272 S274T268-V270 PolarHBondContact O-N 3.44Å; T268-V270 VanDerWaalsContact O-N 3.13Å; V270-H272 PolarHBondContact O-N 2.85Å; V270-S274 WeakPolarHBondContact CG1-OG 3.35Å
271G55.7Low74Confident30 Ų3071.9 Ų71.931%0.30941%0.408SS..  trans-61.2131.7170.800000109.6K269 D273 S274K269-G271 PolarHBondContact O-N 3.37Å; G271-D273 PolarHBondContact O-N 3.12Å; G271-S274 WeakPolarHBondContact O-CB 3.42Å; G271-S274 PolarHBondContact O-N 3.35Å; G271-S274 VanDerWaalsContact O-N 3.08Å; G271-S274 PolarHBondContact O-OG 2.88Å
272H54.5Low73.9Confident190 Ų19071.3 Ų71.388%0.8840%0.404SS*.THydrogen-bonded Turntrans-58.1-15-169-163.9-70.9000114V270V270-H272 PolarHBondContact O-N 2.85Å
273D53.4Low73.8Confident152 Ų15273.1 Ų73.181%0.81342%0.417SS*.THydrogen-bonded Turntrans-89.57.4-178.6-39.1-68.2000113.7G271 P275G271-D273 PolarHBondContact O-N 3.12Å; D273-P275 WeakPolarHBondContact O-CD 3.47Å
274S57Low73.9Confident38 Ų3875 Ų7527%0.26644%0.438SS..  trans-83.6107.4-174.8-56.50000112.1V270 G271 S276V270-S274 WeakPolarHBondContact CG1-OG 3.35Å; G271-S274 WeakPolarHBondContact O-CB 3.42Å; G271-S274 PolarHBondContact O-N 3.35Å; G271-S274 VanDerWaalsContact O-N 3.08Å; G271-S274 PolarHBondContact O-OG 2.88Å; S274-S276 PolarHBondContact O-N 3.39Å
275P57Low74.2Confident70 Ų7073.5 Ų73.546%0.45544%0.443SS..  trans-67.4136.2175.330.1-35.8000110.4D273 K277D273-P275 WeakPolarHBondContact O-CD 3.47Å; P275-K277 PolarHBondContact O-N 3.15Å
276S62.9Low74.5Confident121 Ų12170.2 Ų70.285%0.84642%0.422SS*.SBendtrans-59.2-22.8-174.1-40.90000113.5S274S274-S276 PolarHBondContact O-N 3.39Å
277K60Low75Confident172 Ų17271.8 Ų71.875%0.74843%0.43SS*.SBendtrans-129.3140.9169.8-63.5-179.2-179.3179.10109P275P275-K277 PolarHBondContact O-N 3.15Å
278G73.8Confident75.8Confident48 Ų4873.6 Ų73.650%0.49543%0.428SS..SBendtrans130.4-175.4178.800000114.2R264R264-G278 PolarHBondContact NH2-O 3.49Å
279F85Confident76.3Confident88 Ų8875.9 Ų75.939%0.38644%0.437SS..PPolyproline II helixtrans-77.1127.2171174.4-93.3000109.7H197 K200H197-F279 AromaticContact CE1-CE2 3.37Å; H197-F279 WeakPolarHBondContact CE1-CE2 3.22Å; H197-F279 AromaticContact CE1-CZ 3.71Å; H197-F279 AromaticContact ND1-CE2 3.79Å; H197-F279 AromaticContact ND1-CZ 3.79Å; H197-F279 AromaticContact NE2-CE2 3.82Å; H197-F279 WeakPolarHBondContact O-CE2 3.45Å; H197-F279 WeakPolarHBondContact O-CZ 3.43Å; K200-F279 HydrophobicContact CG-CD2 4.35Å; K200-F279 HydrophobicContact CG-CE2 3.95Å; K200-F279 HydrophobicContact CG-CZ 4.19Å
280L86.7Confident77.5Confident12 Ų1269.9 Ų69.96%0.06341%0.412CS..PPolyproline II helixtrans-98.6122.9176.1-90.662.1000109.2H197 L263 R264 F282H197-L280 PolarHBondContact CE1-O 3.17Å; H197-L280 VanDerWaalsContact CE1-O 3.24Å; L263-L280 HydrophobicContact CB-CB 4.24Å; L263-L280 HydrophobicContact CB-CD2 4.19Å; L263-L280 HydrophobicContact CD1-CB 4.32Å; L263-L280 WeakPolarHBondContact CD1-O 3.37Å; L263-L280 WeakPolarHBondContact O-CD2 3.26Å; R264-L280 HydrophobicContact CG-CD2 3.89Å; R264-L280 VanDerWaalsContact NH2-CD1 3.3Å; L280-F282 PolarHBondContact O-N 3.27Å
281P88.4Confident78.9Confident85 Ų8570.5 Ų70.555%0.55240%0.404SS*.PPolyproline II helixtrans-65.3134173.927.6-33.4000110.5S283P281-S283 VanDerWaalsContact C-N 3.31Å; P281-S283 PolarHBondContact O-N 3.13Å
282F91.2Very high80.7Confident1 Ų172.9 Ų72.90%0.00441%0.41CS..  trans-81.279.9174.4-161157.3000108.9D190 V193 S194 N198 P261 L263 L280 R286 L287D190-F282 WeakPolarHBondContact OD1-CZ 3.37Å; D190-F282 WeakPolarHBondContact OD2-CZ 3.4Å; V193-F282 HydrophobicContact CG1-CE1 4.27Å; S194-F282 VanDerWaalsContact CA-CD1 3.48Å; S194-F282 PolarHBondContact OG-O 3.18Å; N198-F282 PolarHBondContact ND2-O 2.86Å; N198-F282 WeakPolarHBondContact OD1-CA 3.42Å; N198-F282 WeakPolarHBondContact OD1-CB 3.27Å; N198-F282 PolarHBondContact OD1-N 3.22Å; P261-F282 HydrophobicContact CB-CD1 3.9Å; P261-F282 HydrophobicContact CB-CE1 3.64Å; P261-F282 HydrophobicContact CG-CD1 3.92Å; P261-F282 HydrophobicContact CG-CE1 4.13Å; L263-F282 HydrophobicContact CD1-CB 3.78Å; L263-F282 HydrophobicContact CD1-CD1 4.26Å; L263-F282 HydrophobicContact CD1-CG 4.03Å; L263-F282 HydrophobicContact CD2-CB 4.43Å; L263-F282 HydrophobicContact CD2-CD1 3.94Å; L263-F282 HydrophobicContact CD2-CD2 3.87Å; L263-F282 HydrophobicContact CD2-CE1 4.13Å; L263-F282 HydrophobicContact CD2-CE2 4.04Å; L263-F282 HydrophobicContact CD2-CG 3.81Å; L263-F282 HydrophobicContact CD2-CZ 4.16Å; L280-F282 PolarHBondContact O-N 3.27Å; F282-R286 HydrophobicContact CD2-CB 3.9Å; F282-R286 HydrophobicContact CE2-CB 3.95Å; F282-L287 HydrophobicContact CD2-CD2 4.32Å; F282-L287 HydrophobicContact CD2-CG 4.15Å; F282-L287 HydrophobicContact CE2-CD2 3.56Å; F282-L287 HydrophobicContact CE2-CG 3.71Å; F282-L287 HydrophobicContact CZ-CD2 3.75Å; F282-L287 HydrophobicContact CZ-CG 4.41Å
283S91Very high82.5Confident43 Ų4365.6 Ų65.630%0.30138%0.375SS..  trans-66.9158.7-177.1690000113.7P281 T285 R286 L287P281-S283 VanDerWaalsContact C-N 3.31Å; P281-S283 PolarHBondContact O-N 3.13Å; S283-T285 PolarHBondContact O-N 2.95Å; S283-T285 PolarHBondContact OG-OG1 3.47Å; S283-R286 WeakPolarHBondContact O-CB 3.38Å; S283-R286 PolarHBondContact O-N 2.72Å; S283-R286 WeakPolarHBondContact OG-CG 3.46Å; S283-R286 PolarHBondContact OG-N 3.23Å; S283-L287 PolarHBondContact O-N 2.65Å; S283-L287 VanDerWaalsContact O-N 3.14Å
284G91.5Very high84.5Confident47 Ų4758.4 Ų58.449%0.48534%0.336SS..Hα-helixtrans-59.2-28.5170.400000113.7L287 I288G284-L287 PolarHBondContact O-N 3.44Å; G284-I288 WeakPolarHBondContact O-CG1 3.4Å; G284-I288 PolarHBondContact O-N 2.95Å; G284-I288 VanDerWaalsContact O-N 3.12Å
285T90.5Very high86.3Confident92 Ų9258.5 Ų58.556%0.56433%0.332SS*.Hα-helixtrans-66.8-38.2172.549.30000112.1S283 I288 Q289S283-T285 PolarHBondContact O-N 2.95Å; S283-T285 PolarHBondContact OG-OG1 3.47Å; T285-I288 PolarHBondContact O-N 2.91Å; T285-Q289 VanDerWaalsContact O-CG 3.29Å; T285-Q289 WeakPolarHBondContact O-CG 3.46Å; T285-Q289 PolarHBondContact O-N 3.37Å
286R89.7Confident88.1Confident10 Ų1056.5 Ų56.54%0.03832%0.32CS..Hα-helixtrans-65-43.3172.5-69.8-56.9-146.6169.815.5112.1L263 T268 K269 F282 S283 I288 Q289 R290L263-R286 PolarHBondContact O-NH2 2.83Å; T268-R286 PolarHBondContact O-NH1 3.25Å; T268-R286 PolarHBondContact OG1-NH1 2.71Å; K269-R286 PolarHBondContact O-NH1 3.49Å; F282-R286 HydrophobicContact CD2-CB 3.9Å; F282-R286 HydrophobicContact CE2-CB 3.95Å; S283-R286 WeakPolarHBondContact O-CB 3.38Å; S283-R286 PolarHBondContact O-N 2.72Å; S283-R286 WeakPolarHBondContact OG-CG 3.46Å; S283-R286 PolarHBondContact OG-N 3.23Å; R286-I288 VanDerWaalsContact C-N 3.32Å; R286-I288 PolarHBondContact O-N 3.19Å; R286-Q289 VanDerWaalsContact CD-OE1 3.31Å; R286-Q289 PolarHBondContact O-N 2.92Å; R286-R290 WeakPolarHBondContact O-CB 3.41Å; R286-R290 WeakPolarHBondContact O-CG 3.25Å; R286-R290 PolarHBondContact O-N 3.17Å
287L93.2Very high89.5Confident36 Ų3652.4 Ų52.419%0.18829%0.288CS..Hα-helixtrans-56-46175.5-76.2172.4000111.9D190 F282 S283 G284 R291D190-L287 HydrophobicContact CB-CD2 4.09Å; D190-L287 WeakPolarHBondContact O-CD2 3.45Å; F282-L287 HydrophobicContact CD2-CD2 4.32Å; F282-L287 HydrophobicContact CD2-CG 4.15Å; F282-L287 HydrophobicContact CE2-CD2 3.56Å; F282-L287 HydrophobicContact CE2-CG 3.71Å; F282-L287 HydrophobicContact CZ-CD2 3.75Å; F282-L287 HydrophobicContact CZ-CG 4.41Å; S283-L287 PolarHBondContact O-N 2.65Å; S283-L287 VanDerWaalsContact O-N 3.14Å; G284-L287 PolarHBondContact O-N 3.44Å; L287-R291 VanDerWaalsContact O-CB 3.26Å; L287-R291 WeakPolarHBondContact O-CB 3.26Å; L287-R291 PolarHBondContact O-N 3.18Å
288I93.1Very high91.2Very high86 Ų8644.2 Ų44.244%0.44125%0.253SS..Hα-helixtrans-64.9-45.2177.6-65.7165.6000110.9G284 T285 R286 N292G284-I288 WeakPolarHBondContact O-CG1 3.4Å; G284-I288 PolarHBondContact O-N 2.95Å; G284-I288 VanDerWaalsContact O-N 3.12Å; T285-I288 PolarHBondContact O-N 2.91Å; R286-I288 VanDerWaalsContact C-N 3.32Å; R286-I288 PolarHBondContact O-N 3.19Å; I288-N292 WeakPolarHBondContact O-CB 3.44Å; I288-N292 PolarHBondContact O-N 3.16Å; I288-N292 PolarHBondContact O-OD1 2.86Å
289Q92.7Very high92.1Very high59 Ų5942 Ų4228%0.27623%0.229SC..Hα-helixtrans-59.3-48.2176.9-72.7173.6-10.500112T268 K269 T285 R286 N292 R293T268-Q289 HydrophobicContact CG2-CB 3.87Å; T268-Q289 PolarHBondContact OG1-OE1 3.2Å; K269-Q289 PolarHBondContact O-NE2 2.97Å; K269-Q289 PolarHBondContact O-OE1 3.25Å; T285-Q289 VanDerWaalsContact O-CG 3.29Å; T285-Q289 WeakPolarHBondContact O-CG 3.46Å; T285-Q289 PolarHBondContact O-N 3.37Å; R286-Q289 VanDerWaalsContact CD-OE1 3.31Å; R286-Q289 PolarHBondContact O-N 2.92Å; Q289-N292 PolarHBondContact O-N 3.25Å; Q289-R293 WeakPolarHBondContact O-CB 3.1Å; Q289-R293 PolarHBondContact O-N 3.19Å
290R94.4Very high92.4Very high0 Ų040.1 Ų40.10%022%0.223CC..Hα-helixtrans-65.5-44.4-178.4-73.4166.562.494.1-12.3112.1D190 V235 N262 D266 T268 R286 N292 R293 F294D190-R290 IonicContact OD1-CZ 2.72Å; D190-R290 VanDerWaalsContact OD1-CZ 3.31Å; D190-R290 IonicContact OD1-NE 3.79Å; D190-R290 PolarHBondContact OD1-NE 2.95Å; D190-R290 IonicContact OD1-NH2 2.7Å; D190-R290 PolarHBondContact OD1-NH2 3.2Å; D190-R290 WeakPolarHBondContact OD2-CB 3.33Å; D190-R290 IonicContact OD2-CZ 3.44Å; D190-R290 IonicContact OD2-NE 2.73Å; D190-R290 PolarHBondContact OD2-NE 3.49Å; V235-R290 VanDerWaalsContact CG2-NH2 3.26Å; V235-R290 PolarHBondContact O-NH1 2.98Å; V235-R290 PolarHBondContact O-NH2 2.97Å; N262-R290 PolarHBondContact O-NH1 3.39Å; D266-R290 WeakPolarHBondContact OD2-CD 3.31Å; D266-R290 WeakPolarHBondContact OD2-CG 3.24Å; D266-R290 IonicContact OD2-CZ 3.18Å; D266-R290 IonicContact OD2-NE 3.15Å; D266-R290 IonicContact OD2-NH1 2.75Å; D266-R290 PolarHBondContact OD2-NH1 3.39Å; T268-R290 HydrophobicContact CG2-CG 3.98Å; R286-R290 WeakPolarHBondContact O-CB 3.41Å; R286-R290 WeakPolarHBondContact O-CG 3.25Å; R286-R290 PolarHBondContact O-N 3.17Å; R290-N292 PolarHBondContact O-N 3.42Å; R290-R293 WeakPolarHBondContact O-CB 3.45Å; R290-R293 PolarHBondContact O-N 3.28Å; R290-F294 WeakPolarHBondContact O-CB 3.38Å; R290-F294 PolarHBondContact O-N 3.02Å
291R94.7Very high92.7Very high100 Ų10042.7 Ų42.738%0.37724%0.237SC..Hα-helixtrans-58.7-45.6172.9-174.5-169.168.9-167.91.6111.8L287 F294 H295L287-R291 VanDerWaalsContact O-CB 3.26Å; L287-R291 WeakPolarHBondContact O-CB 3.26Å; L287-R291 PolarHBondContact O-N 3.18Å; R291-F294 PolarHBondContact O-N 3.2Å; R291-H295 WeakPolarHBondContact O-CB 3.21Å; R291-H295 PolarHBondContact O-N 3.44Å
292N93.4Very high92.9Very high80 Ų8038.6 Ų38.643%0.42821%0.211SC..Hα-helixtrans-67.5-38.2179.1-66.95.4000111.1I288 Q289 R290 H295 S296I288-N292 WeakPolarHBondContact O-CB 3.44Å; I288-N292 PolarHBondContact O-N 3.16Å; I288-N292 PolarHBondContact O-OD1 2.86Å; Q289-N292 PolarHBondContact O-N 3.25Å; R290-N292 PolarHBondContact O-N 3.42Å; N292-H295 PolarHBondContact O-N 3.15Å; N292-S296 PolarHBondContact O-N 2.99Å; N292-S296 PolarHBondContact O-OG 2.84Å; N292-S296 VanDerWaalsContact O-OG 3.08Å
293R93.2Very high92.9Very high38 Ų3838.7 Ų38.714%0.14321%0.211CC..Hα-helixtrans-60-49.1173.2-172.169.5-176.91686.3111.4T165 Y232 T268 Q289 R290 S296 L297T165-R293 PolarHBondContact O-NH1 2.96Å; T165-R293 VanDerWaalsContact OG1-CZ 3.3Å; T165-R293 PolarHBondContact OG1-NH1 2.7Å; T165-R293 PolarHBondContact OG1-NH2 3.23Å; Y232-R293 HydrophobicContact CE1-CB 4.41Å; Y232-R293 HydrophobicContact CE1-CG 4.26Å; Y232-R293 HydrophobicContact CE2-CG 3.98Å; T268-R293 HydrophobicContact CG2-CB 4.36Å; Q289-R293 WeakPolarHBondContact O-CB 3.1Å; Q289-R293 PolarHBondContact O-N 3.19Å; R290-R293 WeakPolarHBondContact O-CB 3.45Å; R290-R293 PolarHBondContact O-N 3.28Å; R293-S296 PolarHBondContact O-N 3.25Å; R293-L297 HydrophobicContact CG-CD1 4.07Å; R293-L297 VanDerWaalsContact O-CG 3.3Å; R293-L297 WeakPolarHBondContact O-CG 3.42Å; R293-L297 PolarHBondContact O-N 3.39Å
294F95.8Very high92.9Very high0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-61.7-45.3178-165.4-99.3000111.9L182 L183 F186 F228 V231 Y232 R290 R291 S296 L297 L298L182-F294 HydrophobicContact CD2-CZ 4.2Å; L182-F294 HydrophobicContact CG-CE1 4.35Å; L182-F294 HydrophobicContact CG-CZ 4.18Å; L183-F294 HydrophobicContact CD1-CD1 3.88Å; F186-F294 HydrophobicContact CB-CD1 3.88Å; F186-F294 HydrophobicContact CB-CE1 3.64Å; F186-F294 HydrophobicContact CB-CG 4.43Å; F186-F294 HydrophobicContact CB-CZ 4.02Å; F186-F294 HydrophobicContact CD1-CB 3.68Å; F186-F294 AromaticContact CD1-CD1 3.67Å; F186-F294 HydrophobicContact CD1-CD1 3.67Å; F186-F294 HydrophobicContact CD1-CD2 4.08Å; F186-F294 HydrophobicContact CD1-CE1 4.29Å; F186-F294 AromaticContact CD1-CG 3.54Å; F186-F294 HydrophobicContact CD1-CG 3.54Å; F186-F294 HydrophobicContact CD2-CD2 4.12Å; F186-F294 HydrophobicContact CD2-CE2 4.11Å; F186-F294 HydrophobicContact CD2-CG 4.38Å; F186-F294 HydrophobicContact CD2-CZ 4.38Å; F186-F294 HydrophobicContact CE1-CB 3.64Å; F186-F294 HydrophobicContact CE1-CD1 4.46Å; F186-F294 HydrophobicContact CE1-CD2 4.26Å; F186-F294 AromaticContact CE1-CG 3.9Å; F186-F294 HydrophobicContact CE1-CG 3.9Å; F186-F294 HydrophobicContact CE2-CD2 4.32Å; F186-F294 HydrophobicContact CG-CB 4.45Å; F186-F294 AromaticContact CG-CD1 3.77Å; F186-F294 HydrophobicContact CG-CD1 3.77Å; F186-F294 HydrophobicContact CG-CD2 4.02Å; F186-F294 AromaticContact CG-CE1 3.91Å; F186-F294 HydrophobicContact CG-CE1 3.91Å; F186-F294 HydrophobicContact CG-CE2 4.15Å; F186-F294 AromaticContact CG-CG 3.83Å; F186-F294 HydrophobicContact CG-CG 3.83Å; F186-F294 HydrophobicContact CG-CZ 4.11Å; F186-F294 HydrophobicContact CZ-CB 4.39Å; F186-F294 HydrophobicContact CZ-CD2 4.39Å; F186-F294 HydrophobicContact CZ-CG 4.47Å; F228-F294 HydrophobicContact CB-CE2 4.45Å; F228-F294 HydrophobicContact CD1-CE2 4.26Å; F228-F294 AromaticContact CD1-CZ 3.82Å; F228-F294 HydrophobicContact CD1-CZ 3.82Å; F228-F294 HydrophobicContact CE1-CZ 4.46Å; V231-F294 HydrophobicContact CB-CD2 4.35Å; V231-F294 HydrophobicContact CB-CE2 3.65Å; V231-F294 HydrophobicContact CB-CZ 4.08Å; V231-F294 HydrophobicContact CG1-CD2 3.85Å; V231-F294 HydrophobicContact CG1-CE2 3.59Å; V231-F294 HydrophobicContact CG1-CG 4.49Å; V231-F294 HydrophobicContact CG1-CZ 4.03Å; V231-F294 HydrophobicContact CG2-CE2 4.4Å; V231-F294 HydrophobicContact CG2-CZ 4.34Å; Y232-F294 HydrophobicContact CD1-CB 4.45Å; Y232-F294 HydrophobicContact CD1-CD2 4.01Å; Y232-F294 HydrophobicContact CG-CD2 4.43Å; R290-F294 WeakPolarHBondContact O-CB 3.38Å; R290-F294 PolarHBondContact O-N 3.02Å; R291-F294 PolarHBondContact O-N 3.2Å; F294-S296 PolarHBondContact O-N 3.13Å; F294-L297 PolarHBondContact O-N 2.71Å; F294-L298 HydrophobicContact CD1-CD1 3.83Å; F294-L298 HydrophobicContact CD1-CG 4.23Å; F294-L298 HydrophobicContact CE1-CD1 3.7Å; F294-L298 HydrophobicContact CE1-CD2 4.37Å; F294-L298 HydrophobicContact CE1-CG 4.13Å; F294-L298 WeakPolarHBondContact O-CG 3.27Å; F294-L298 PolarHBondContact O-N 3.05Å
295H94.6Very high92.9Very high41 Ų4142.4 Ų42.419%0.1921%0.211CC..Hα-helixtrans-56.7-46.7173.5179.5-78.8000112.2L183 R291 N292 L297 L298 I299L183-H295 HydrophobicContact CD1-CB 4.16Å; R291-H295 WeakPolarHBondContact O-CB 3.21Å; R291-H295 PolarHBondContact O-N 3.44Å; N292-H295 PolarHBondContact O-N 3.15Å; H295-L297 VanDerWaalsContact C-N 3.33Å; H295-L297 PolarHBondContact O-N 3.24Å; H295-L298 PolarHBondContact O-N 3.36Å; H295-I299 WeakPolarHBondContact O-CG1 3.38Å; H295-I299 PolarHBondContact O-N 2.65Å
296S93.1Very high92.9Very high28 Ų2838.4 Ų38.420%0.19619%0.186CC..Hα-helixtrans-62.4-38.1177.6-64.20000112.7N292 R293 F294 I299 N300N292-S296 PolarHBondContact O-N 2.99Å; N292-S296 PolarHBondContact O-OG 2.84Å; N292-S296 VanDerWaalsContact O-OG 3.08Å; R293-S296 PolarHBondContact O-N 3.25Å; F294-S296 PolarHBondContact O-N 3.13Å; S296-I299 PolarHBondContact O-N 3.32Å; S296-N300 WeakPolarHBondContact O-CB 3.48Å; S296-N300 PolarHBondContact O-N 3.27Å; S296-N300 PolarHBondContact O-ND2 3.27Å; S296-N300 PolarHBondContact O-OD1 2.89Å
297L94Very high92.9Very high34 Ų3442.7 Ų42.718%0.17820%0.202CC..Hα-helixtrans-66.5-39.8175.9-69.1162.2000111.9V231 Y232 R293 F294 H295 N300 L301V231-L297 HydrophobicContact CG1-CB 3.76Å; Y232-L297 HydrophobicContact CD2-CD1 3.91Å; Y232-L297 HydrophobicContact CG-CD1 3.92Å; R293-L297 HydrophobicContact CG-CD1 4.07Å; R293-L297 VanDerWaalsContact O-CG 3.3Å; R293-L297 WeakPolarHBondContact O-CG 3.42Å; R293-L297 PolarHBondContact O-N 3.39Å; F294-L297 PolarHBondContact O-N 2.71Å; H295-L297 VanDerWaalsContact C-N 3.33Å; H295-L297 PolarHBondContact O-N 3.24Å; L297-N300 PolarHBondContact O-N 3.05Å; L297-L301 PolarHBondContact O-N 3.41Å; L297-L301 VanDerWaalsContact O-N 3.15Å
298L94.5Very high92.8Very high1 Ų145.4 Ų45.41%0.00522%0.22CC..Hα-helixtrans-64.4-44172.4-66.6176000112.3L175 L179 L182 L183 V231 F294 H295 N300 L301 V302 I343L175-L298 HydrophobicContact CD1-CB 4.25Å; L175-L298 HydrophobicContact CD1-CD1 4.17Å; L175-L298 HydrophobicContact CD2-CB 3.78Å; L179-L298 HydrophobicContact CB-CD1 4.43Å; L179-L298 HydrophobicContact CB-CD2 4.41Å; L179-L298 HydrophobicContact CD1-CB 4.34Å; L179-L298 HydrophobicContact CD1-CD2 4.27Å; L179-L298 HydrophobicContact CD2-CD2 4.22Å; L182-L298 HydrophobicContact CD2-CD2 4.39Å; L183-L298 HydrophobicContact CB-CD1 3.84Å; L183-L298 HydrophobicContact CD1-CD1 4.45Å; V231-L298 HydrophobicContact CG1-CD2 3.94Å; V231-L298 HydrophobicContact CG1-CG 4.26Å; V231-L298 HydrophobicContact CG2-CD2 3.9Å; F294-L298 HydrophobicContact CD1-CD1 3.83Å; F294-L298 HydrophobicContact CD1-CG 4.23Å; F294-L298 HydrophobicContact CE1-CD1 3.7Å; F294-L298 HydrophobicContact CE1-CD2 4.37Å; F294-L298 HydrophobicContact CE1-CG 4.13Å; F294-L298 WeakPolarHBondContact O-CG 3.27Å; F294-L298 PolarHBondContact O-N 3.05Å; H295-L298 PolarHBondContact O-N 3.36Å; L298-N300 VanDerWaalsContact C-N 3.3Å; L298-N300 PolarHBondContact O-N 3.49Å; L298-L301 WeakPolarHBondContact O-CB 3.33Å; L298-L301 PolarHBondContact O-N 3.09Å; L298-L301 VanDerWaalsContact O-N 3.15Å; L298-V302 PolarHBondContact O-N 2.72Å; L298-I343 HydrophobicContact CD2-CD1 3.94Å
299I92.6Very high92.8Very high0 Ų042 Ų420%020%0.202CC..Hα-helixtrans-61.5-39.8175.5-69.8-67.3000111V169 L173 L175 H295 S296 L301 V302 L303V169-I299 HydrophobicContact CG1-CB 3.89Å; V169-I299 HydrophobicContact CG1-CG2 3.46Å; V169-I299 VanDerWaalsContact CG1-CG2 3.46Å; L173-I299 HydrophobicContact CB-CD1 3.87Å; L173-I299 HydrophobicContact CD1-CG2 4.04Å; L175-I299 HydrophobicContact CD2-CD1 3.62Å; L175-I299 HydrophobicContact CD2-CG1 4.12Å; L175-I299 HydrophobicContact CG-CD1 3.72Å; L175-I299 HydrophobicContact CG-CG1 4.38Å; H295-I299 WeakPolarHBondContact O-CG1 3.38Å; H295-I299 PolarHBondContact O-N 2.65Å; S296-I299 PolarHBondContact O-N 3.32Å; I299-L301 VanDerWaalsContact C-N 3.28Å; I299-L301 PolarHBondContact O-N 2.89Å; I299-V302 PolarHBondContact O-N 3.05Å; I299-V302 VanDerWaalsContact O-N 3.15Å; I299-L303 HydrophobicContact CG2-CD1 3.83Å; I299-L303 HydrophobicContact CG2-CG 4.2Å; I299-L303 WeakPolarHBondContact O-CG 3.44Å; I299-L303 PolarHBondContact O-N 3.27Å
300N91.6Very high92.7Very high49 Ų4940.4 Ų40.426%0.26220%0.195SC..Hα-helixtrans-63.8-30.1175.8-69.4-13.8000113.1S296 L297 L298 K304S296-N300 WeakPolarHBondContact O-CB 3.48Å; S296-N300 PolarHBondContact O-N 3.27Å; S296-N300 PolarHBondContact O-ND2 3.27Å; S296-N300 PolarHBondContact O-OD1 2.89Å; L297-N300 PolarHBondContact O-N 3.05Å; L298-N300 VanDerWaalsContact C-N 3.3Å; L298-N300 PolarHBondContact O-N 3.49Å; N300-K304 WeakPolarHBondContact O-CG 3.42Å; N300-K304 PolarHBondContact O-N 2.86Å; N300-K304 VanDerWaalsContact O-N 3.16Å
301L92.5Very high92.5Very high66 Ų6643.1 Ų43.135%0.34621%0.212SC..Hα-helixtrans-66.4-45.1171.7-173.466.4000111.1L179 L297 L298 I299 K304 S305 I343L179-L301 HydrophobicContact CD1-CD2 4.39Å; L297-L301 PolarHBondContact O-N 3.41Å; L297-L301 VanDerWaalsContact O-N 3.15Å; L298-L301 WeakPolarHBondContact O-CB 3.33Å; L298-L301 PolarHBondContact O-N 3.09Å; L298-L301 VanDerWaalsContact O-N 3.15Å; I299-L301 VanDerWaalsContact C-N 3.28Å; I299-L301 PolarHBondContact O-N 2.89Å; L301-K304 PolarHBondContact O-N 3.24Å; L301-S305 PolarHBondContact O-N 3.24Å; L301-I343 HydrophobicContact CD2-CD1 4.13Å; L301-I343 HydrophobicContact CD2-CG1 3.89Å
302V93.1Very high92.3Very high0 Ų042.4 Ų42.40%022%0.222CC..Hα-helixtrans-66.7-41.3177.4-1720000111.2L175 P176 L179 L298 I299 K304 S305 H306 W330 F334 L336 V340L175-V302 HydrophobicContact CD2-CG2 4.07Å; P176-V302 HydrophobicContact CG-CG2 3.99Å; L179-V302 HydrophobicContact CD1-CG2 3.67Å; L298-V302 PolarHBondContact O-N 2.72Å; I299-V302 PolarHBondContact O-N 3.05Å; I299-V302 VanDerWaalsContact O-N 3.15Å; V302-K304 VanDerWaalsContact C-N 3.3Å; V302-K304 PolarHBondContact O-N 3.04Å; V302-S305 WeakPolarHBondContact CA-OG 3.49Å; V302-S305 PolarHBondContact O-N 3.13Å; V302-S305 PolarHBondContact O-OG 3.43Å; V302-H306 WeakPolarHBondContact O-CB 3.3Å; V302-H306 PolarHBondContact O-N 2.89Å; V302-W330 HydrophobicContact CB-CH2 3.71Å; V302-W330 HydrophobicContact CB-CZ2 3.83Å; V302-W330 HydrophobicContact CG1-CD2 4.47Å; V302-W330 HydrophobicContact CG1-CE3 4.48Å; V302-W330 HydrophobicContact CG1-CH2 3.42Å; V302-W330 VanDerWaalsContact CG1-CH2 3.42Å; V302-W330 HydrophobicContact CG1-CZ2 3.37Å; V302-W330 HydrophobicContact CG1-CZ3 3.99Å; V302-F334 HydrophobicContact CG1-CE1 3.77Å; V302-F334 HydrophobicContact CG1-CZ 4.1Å; V302-L336 HydrophobicContact CG1-CD1 3.76Å; V302-V340 HydrophobicContact CB-CG2 4.43Å; V302-V340 HydrophobicContact CG1-CG2 3.97Å; V302-V340 HydrophobicContact CG2-CG1 4.29Å; V302-V340 HydrophobicContact CG2-CG2 4.14Å
303L91.7Very high91.9Very high2 Ų244.1 Ų44.11%0.0123%0.231CC..Hα-helixtrans-55.7-42.7174.3-77.4165000111.9L173 I299 H306 R307 D324 L327 W330L173-L303 HydrophobicContact CD1-CD2 4.41Å; I299-L303 HydrophobicContact CG2-CD1 3.83Å; I299-L303 HydrophobicContact CG2-CG 4.2Å; I299-L303 WeakPolarHBondContact O-CG 3.44Å; I299-L303 PolarHBondContact O-N 3.27Å; L303-H306 PolarHBondContact O-N 2.87Å; L303-R307 WeakPolarHBondContact O-CG 3.39Å; L303-R307 PolarHBondContact O-N 2.93Å; L303-D324 HydrophobicContact CD1-CB 3.89Å; L303-D324 HydrophobicContact CD2-CB 4Å; L303-D324 HydrophobicContact CG-CB 4.48Å; L303-L327 HydrophobicContact CD2-CB 4.48Å; L303-L327 HydrophobicContact CD2-CD2 3.58Å; L303-W330 HydrophobicContact CD2-CH2 4.08Å; L303-W330 HydrophobicContact CD2-CZ3 3.89Å; L303-W330 HydrophobicContact CG-CH2 4.03Å; L303-W330 HydrophobicContact CG-CZ3 4.27Å
304K90.6Very high91.7Very high147 Ų14745.2 Ų45.264%0.63924%0.24SC*.Hα-helixtrans-60.1-49.6174.7-74.4176.6177.9-170.90112N300 L301 V302 H306 R307 V308N300-K304 WeakPolarHBondContact O-CG 3.42Å; N300-K304 PolarHBondContact O-N 2.86Å; N300-K304 VanDerWaalsContact O-N 3.16Å; L301-K304 PolarHBondContact O-N 3.24Å; V302-K304 VanDerWaalsContact C-N 3.3Å; V302-K304 PolarHBondContact O-N 3.04Å; K304-H306 VanDerWaalsContact C-N 3.32Å; K304-H306 PolarHBondContact O-N 3.48Å; K304-R307 PolarHBondContact O-N 2.85Å; K304-V308 WeakPolarHBondContact O-CG2 3.33Å; K304-V308 PolarHBondContact O-N 3.03Å; K304-V308 VanDerWaalsContact O-N 3.1Å
305S91.5Very high91.1Very high22 Ų2248.2 Ų48.215%0.15427%0.271CS..Hα-helixtrans-64.7-33.9176.355.70000113.3L301 V302 V308 F309L301-S305 PolarHBondContact O-N 3.24Å; V302-S305 WeakPolarHBondContact CA-OG 3.49Å; V302-S305 PolarHBondContact O-N 3.13Å; V302-S305 PolarHBondContact O-OG 3.43Å; S305-V308 PolarHBondContact O-N 2.95Å; S305-F309 WeakPolarHBondContact O-CB 3.46Å; S305-F309 PolarHBondContact O-N 3.31Å
306H91.7Very high90.7Very high7 Ų748.1 Ų48.13%0.03227%0.271CS..Hα-helixtrans-68.5-40.4176.3-179.3-115.5000111.6V302 L303 K304 F309 L310 W330 H331 F334V302-H306 WeakPolarHBondContact O-CB 3.3Å; V302-H306 PolarHBondContact O-N 2.89Å; L303-H306 PolarHBondContact O-N 2.87Å; K304-H306 VanDerWaalsContact C-N 3.32Å; K304-H306 PolarHBondContact O-N 3.48Å; H306-F309 PolarHBondContact O-N 3Å; H306-L310 WeakPolarHBondContact O-CG 3.18Å; H306-L310 PolarHBondContact O-N 3.42Å; H306-W330 HydrophobicContact CB-CE3 3.97Å; H306-W330 HydrophobicContact CB-CZ3 3.78Å; H306-W330 AromaticContact CD2-CE3 3.9Å; H306-W330 AromaticContact CG-CE3 3.65Å; H306-W330 AromaticContact CG-CZ3 3.86Å; H306-W330 AromaticContact ND1-CE3 3.84Å; H306-W330 AromaticContact ND1-CZ3 3.98Å; H306-H331 WeakPolarHBondContact NE2-CB 2.99Å; H306-H331 PolarHBondContact NE2-N 3.32Å; H306-F334 HydrophobicContact CB-CE1 4.13Å; H306-F334 HydrophobicContact CB-CE2 4.14Å; H306-F334 HydrophobicContact CB-CZ 3.92Å; H306-F334 AromaticContact CD2-CD1 3.82Å; H306-F334 AromaticContact CD2-CD2 3.95Å; H306-F334 AromaticContact CD2-CG 3.64Å
307R89.6Confident90.2Very high101 Ų10149.4 Ų49.438%0.38128%0.276SS..Hα-helixtrans-59.1-47.9171.1-75.7178.5172.9-135.8-10.4111.6L303 K304 F309 L310 T311 L321 D324L303-R307 WeakPolarHBondContact O-CG 3.39Å; L303-R307 PolarHBondContact O-N 2.93Å; K304-R307 PolarHBondContact O-N 2.85Å; R307-F309 VanDerWaalsContact C-N 3.33Å; R307-F309 PolarHBondContact O-N 3.39Å; R307-L310 PolarHBondContact O-N 3.25Å; R307-T311 PolarHBondContact O-N 3.24Å; R307-T311 PolarHBondContact O-OG1 3.5Å; R307-T311 VanDerWaalsContact O-OG1 3.08Å; R307-L321 HydrophobicContact CB-CD2 4.47Å; R307-L321 HydrophobicContact CG-CD2 4.25Å; R307-D324 IonicContact CZ-OD1 3.67Å; R307-D324 IonicContact CZ-OD2 2.71Å; R307-D324 VanDerWaalsContact NE-CG 3.33Å; R307-D324 IonicContact NE-OD1 3.68Å; R307-D324 PolarHBondContact NE-OD1 3.18Å; R307-D324 IonicContact NE-OD2 3.96Å; R307-D324 PolarHBondContact NE-OD2 3.48Å; R307-D324 VanDerWaalsContact NE-OD2 3.15Å; R307-D324 IonicContact NH2-OD1 2.93Å; R307-D324 PolarHBondContact NH2-OD1 3.01Å; R307-D324 IonicContact NH2-OD2 2.69Å; R307-D324 PolarHBondContact NH2-OD2 2.79Å
308V90.9Very high89.6Confident92 Ų9251.9 Ų51.956%0.55829%0.294SS*.Hα-helixtrans-58.2-46.4176.6173.70000110.8K304 S305 L310 T311 S312K304-V308 WeakPolarHBondContact O-CG2 3.33Å; K304-V308 PolarHBondContact O-N 3.03Å; K304-V308 VanDerWaalsContact O-N 3.1Å; S305-V308 PolarHBondContact O-N 2.95Å; V308-L310 PolarHBondContact O-N 3.03Å; V308-T311 PolarHBondContact O-N 2.88Å; V308-S312 WeakPolarHBondContact O-CB 3.4Å; V308-S312 PolarHBondContact O-N 2.89Å; V308-S312 PolarHBondContact O-OG 3.36Å
309F92.3Very high89Confident16 Ų1656.9 Ų56.97%0.0733%0.329CS..Hα-helixtrans-58.9-44175168.9-94.5000113.4S305 H306 R307 T311 D313 L314 H331 K333 F334S305-F309 WeakPolarHBondContact O-CB 3.46Å; S305-F309 PolarHBondContact O-N 3.31Å; H306-F309 PolarHBondContact O-N 3Å; R307-F309 VanDerWaalsContact C-N 3.33Å; R307-F309 PolarHBondContact O-N 3.39Å; F309-T311 VanDerWaalsContact C-N 3.34Å; F309-T311 PolarHBondContact O-N 3.35Å; F309-D313 HydrophobicContact CD2-CB 3.9Å; F309-D313 WeakPolarHBondContact CD2-OD2 3.36Å; F309-D313 HydrophobicContact CE2-CB 3.92Å; F309-D313 WeakPolarHBondContact O-CB 3.49Å; F309-D313 PolarHBondContact O-N 3.45Å; F309-L314 HydrophobicContact CD1-CD1 4.11Å; F309-L314 HydrophobicContact CE1-CD1 3.39Å; F309-L314 HydrophobicContact CE1-CG 4.42Å; F309-L314 HydrophobicContact CZ-CD1 3.82Å; F309-L314 HydrophobicContact CZ-CG 4.47Å; F309-L314 PolarHBondContact O-N 3.35Å; F309-H331 HydrophobicContact CE1-CB 4.46Å; F309-H331 AromaticContact CE1-ND1 3.7Å; F309-K333 VanDerWaalsContact CZ-C 3.45Å; F309-K333 HydrophobicContact CZ-CB 3.89Å; F309-K333 VanDerWaalsContact CZ-O 3.29Å; F309-K333 WeakPolarHBondContact CZ-O 3.29Å; F309-F334 HydrophobicContact CB-CD2 3.78Å; F309-F334 HydrophobicContact CB-CE2 3.99Å; F309-F334 HydrophobicContact CD1-CB 3.98Å; F309-F334 AromaticContact CD1-CD2 3.69Å; F309-F334 HydrophobicContact CD1-CD2 3.69Å; F309-F334 HydrophobicContact CD1-CG 4.26Å; F309-F334 HydrophobicContact CD2-CD2 4.1Å; F309-F334 HydrophobicContact CE1-CB 3.83Å; F309-F334 HydrophobicContact CE1-CD2 4.34Å; F309-F334 AromaticContact CG-CD2 3.57Å; F309-F334 HydrophobicContact CG-CD2 3.57Å; F309-F334 HydrophobicContact CG-CE2 4.29Å; F309-F334 HydrophobicContact CZ-CB 4.32Å
310L90.4Very high88.3Confident25 Ų2564 Ų6413%0.13136%0.36CS..Hα-helixtrans-64.2-37.8177.2-70.1-178.4000112.4H306 R307 V308 L314 I316 L321 H331H306-L310 WeakPolarHBondContact O-CG 3.18Å; H306-L310 PolarHBondContact O-N 3.42Å; R307-L310 PolarHBondContact O-N 3.25Å; V308-L310 PolarHBondContact O-N 3.03Å; L310-L314 HydrophobicContact CD2-CD1 3.75Å; L310-L314 WeakPolarHBondContact O-CB 3.5Å; L310-I316 HydrophobicContact CB-CD1 4.44Å; L310-I316 HydrophobicContact CD2-CD1 4.17Å; L310-I316 WeakPolarHBondContact O-CB 3.37Å; L310-I316 WeakPolarHBondContact O-CG1 3.21Å; L310-I316 PolarHBondContact O-N 3.16Å; L310-I316 VanDerWaalsContact O-N 3.08Å; L310-L321 HydrophobicContact CB-CD2 4.13Å; L310-L321 HydrophobicContact CD1-CD2 4.01Å; L310-L321 HydrophobicContact CD1-CG 4.2Å; L310-H331 HydrophobicContact CD2-CB 4.12Å
311T91Very high87.7Confident56 Ų5663.4 Ų63.434%0.34436%0.357SS..Hα-helixtrans-76.3-48.7179.2-51.90000111.9R307 V308 F309 G315R307-T311 PolarHBondContact O-N 3.24Å; R307-T311 PolarHBondContact O-OG1 3.5Å; R307-T311 VanDerWaalsContact O-OG1 3.08Å; V308-T311 PolarHBondContact O-N 2.88Å; F309-T311 VanDerWaalsContact C-N 3.34Å; F309-T311 PolarHBondContact O-N 3.35Å; T311-G315 VanDerWaalsContact O-CA 3.29Å; T311-G315 WeakPolarHBondContact O-CA 3.42Å; T311-G315 PolarHBondContact O-N 3.42Å
312S89.3Confident86.9Confident85 Ų8563.3 Ų63.359%0.59436%0.36SS*.Hα-helixtrans-80.3-51.3-172.7-60.60000113.4V308V308-S312 WeakPolarHBondContact O-CB 3.4Å; V308-S312 PolarHBondContact O-N 2.89Å; V308-S312 PolarHBondContact O-OG 3.36Å
313D86.9Confident86.3Confident117 Ų11770 Ų7063%0.62639%0.391SS*.THydrogen-bonded Turntrans-92-18.5-168-60.4-2.6000112.4F309F309-D313 HydrophobicContact CD2-CB 3.9Å; F309-D313 WeakPolarHBondContact CD2-OD2 3.36Å; F309-D313 HydrophobicContact CE2-CB 3.92Å; F309-D313 WeakPolarHBondContact O-CB 3.49Å; F309-D313 PolarHBondContact O-N 3.45Å
314L87.2Confident85.9Confident60 Ų6071.9 Ų71.931%0.31440%0.401SS..SBendtrans-115-3.9178.1-74.8157.3000113.5F309 L310 I316F309-L314 HydrophobicContact CD1-CD1 4.11Å; F309-L314 HydrophobicContact CE1-CD1 3.39Å; F309-L314 HydrophobicContact CE1-CG 4.42Å; F309-L314 HydrophobicContact CZ-CD1 3.82Å; F309-L314 HydrophobicContact CZ-CG 4.47Å; F309-L314 PolarHBondContact O-N 3.35Å; L310-L314 HydrophobicContact CD2-CD1 3.75Å; L310-L314 WeakPolarHBondContact O-CB 3.5Å; L314-I316 HydrophobicContact CB-CD1 4.15Å; L314-I316 HydrophobicContact CB-CG1 3.94Å; L314-I316 PolarHBondContact O-N 2.86Å
315G84.9Confident85.3Confident64 Ų6467.4 Ų67.466%0.6639%0.389SS*.  trans63.423.417600000114.6T311 D317T311-G315 VanDerWaalsContact O-CA 3.29Å; T311-G315 WeakPolarHBondContact O-CA 3.42Å; T311-G315 PolarHBondContact O-N 3.42Å; G315-D317 PolarHBondContact O-N 2.66Å
316I84.9Confident84.9Confident38 Ų3868.5 Ų68.520%0.19540%0.396CS..  trans-81.8118.8-176.7-48.7179.2000109.3L310 L314 L321L310-I316 HydrophobicContact CB-CD1 4.44Å; L310-I316 HydrophobicContact CD2-CD1 4.17Å; L310-I316 WeakPolarHBondContact O-CB 3.37Å; L310-I316 WeakPolarHBondContact O-CG1 3.21Å; L310-I316 PolarHBondContact O-N 3.16Å; L310-I316 VanDerWaalsContact O-N 3.08Å; L314-I316 HydrophobicContact CB-CD1 4.15Å; L314-I316 HydrophobicContact CB-CG1 3.94Å; L314-I316 PolarHBondContact O-N 2.86Å; I316-L321 HydrophobicContact CB-CD1 3.9Å; I316-L321 HydrophobicContact CG2-CD1 3.45Å; I316-L321 VanDerWaalsContact CG2-CD1 3.45Å
317D82.6Confident84.6Confident55 Ų5569.3 Ų69.329%0.29440%0.401SS..  trans-47.5122.3173170.15.2000111.4G315 S319 K320 L321G315-D317 PolarHBondContact O-N 2.66Å; D317-S319 PolarHBondContact O-N 3.32Å; D317-S319 VanDerWaalsContact O-N 3.08Å; D317-S319 WeakPolarHBondContact OD1-CB 3.21Å; D317-S319 PolarHBondContact OD1-N 2.96Å; D317-S319 PolarHBondContact OD1-OG 3.35Å; D317-K320 HydrophobicContact CB-CD 4.2Å; D317-K320 HydrophobicContact CB-CG 4.16Å; D317-K320 PolarHBondContact O-N 3.02Å; D317-K320 IonicContact OD2-NZ 2.72Å; D317-K320 PolarHBondContact OD2-NZ 3.45Å; D317-L321 WeakPolarHBondContact O-CD1 3.35Å
318P82.3Confident84.5Confident87 Ų8774.6 Ų74.657%0.56542%0.42SS*.G310 helixtrans-58.4-25.6-177.524.7-35000113K320 L321P318-K320 PolarHBondContact O-N 3.05Å; P318-L321 PolarHBondContact O-N 3Å
319S80.6Confident84.4Confident105 Ų10580.2 Ų80.273%0.73443%0.432SS*.G310 helixtrans-67.6-16.7176.4-33.90000113.2D317D317-S319 PolarHBondContact O-N 3.32Å; D317-S319 VanDerWaalsContact O-N 3.08Å; D317-S319 WeakPolarHBondContact OD1-CB 3.21Å; D317-S319 PolarHBondContact OD1-N 2.96Å; D317-S319 PolarHBondContact OD1-OG 3.35Å
320K78.3Confident84.3Confident151 Ų15181.3 Ų81.366%0.65744%0.435SS*.G310 helixtrans-106.7-1-177.7-58.7-174.5179.495.90113.1D317 P318D317-K320 HydrophobicContact CB-CD 4.2Å; D317-K320 HydrophobicContact CB-CG 4.16Å; D317-K320 PolarHBondContact O-N 3.02Å; D317-K320 IonicContact OD2-NZ 2.72Å; D317-K320 PolarHBondContact OD2-NZ 3.45Å; P318-K320 PolarHBondContact O-N 3.05Å
321L79.1Confident84.3Confident36 Ų3682.2 Ų82.219%0.18844%0.439CS..PPolyproline II helixtrans-76.4126.5174.3-92.263.6000109.9R307 L310 I316 D317 P318R307-L321 HydrophobicContact CB-CD2 4.47Å; R307-L321 HydrophobicContact CG-CD2 4.25Å; L310-L321 HydrophobicContact CB-CD2 4.13Å; L310-L321 HydrophobicContact CD1-CD2 4.01Å; L310-L321 HydrophobicContact CD1-CG 4.2Å; I316-L321 HydrophobicContact CB-CD1 3.9Å; I316-L321 HydrophobicContact CG2-CD1 3.45Å; I316-L321 VanDerWaalsContact CG2-CD1 3.45Å; D317-L321 WeakPolarHBondContact O-CD1 3.35Å; P318-L321 PolarHBondContact O-N 3Å
322P75.9Confident84.2Confident63 Ų6384.7 Ų84.741%0.40946%0.456SS..PPolyproline II helixtrans-71.2159.5174.128.3-31.1000111.5F10F10-P322 HydrophobicContact CD1-CG 4.44Å; F10-P322 HydrophobicContact CE1-CB 4.29Å; F10-P322 HydrophobicContact CE1-CG 3.55Å; F10-P322 HydrophobicContact CE2-CG 4.1Å; F10-P322 HydrophobicContact CZ-CG 3.36Å
323E81.4Confident84.3Confident140 Ų14088.1 Ų88.165%0.65446%0.46SS*.PPolyproline II helixtrans-61.4143.5-178-168.8-173.9-138.300112.3S325 S326E323-S325 PolarHBondContact O-N 2.72Å; E323-S325 VanDerWaalsContact O-N 3.09Å; E323-S325 VanDerWaalsContact OE2-CB 3.32Å; E323-S325 WeakPolarHBondContact OE2-CB 3.13Å; E323-S325 PolarHBondContact OE2-OG 3.3Å; E323-S326 WeakPolarHBondContact O-CB 3.42Å; E323-S326 PolarHBondContact O-N 2.67Å; E323-S326 PolarHBondContact O-OG 3.41Å
324D81.9Confident84.5Confident43 Ų4383.2 Ų83.223%0.2343%0.433CS..G310 helixtrans-58.2-25.9-178.3-68.9-6.4000113.4P170 L303 R307 S326 L327P170-D324 WeakPolarHBondContact CG-O 3.28Å; L303-D324 HydrophobicContact CD1-CB 3.89Å; L303-D324 HydrophobicContact CD2-CB 4Å; L303-D324 HydrophobicContact CG-CB 4.48Å; R307-D324 IonicContact CZ-OD1 3.67Å; R307-D324 IonicContact CZ-OD2 2.71Å; R307-D324 VanDerWaalsContact NE-CG 3.33Å; R307-D324 IonicContact NE-OD1 3.68Å; R307-D324 PolarHBondContact NE-OD1 3.18Å; R307-D324 IonicContact NE-OD2 3.96Å; R307-D324 PolarHBondContact NE-OD2 3.48Å; R307-D324 VanDerWaalsContact NE-OD2 3.15Å; R307-D324 IonicContact NH2-OD1 2.93Å; R307-D324 PolarHBondContact NH2-OD1 3.01Å; R307-D324 IonicContact NH2-OD2 2.69Å; R307-D324 PolarHBondContact NH2-OD2 2.79Å; D324-S326 PolarHBondContact O-N 2.82Å; D324-L327 PolarHBondContact O-N 3.22Å
325S79.4Confident84.6Confident53 Ų5383.2 Ų83.237%0.37144%0.437SS..G310 helixtrans-54.9-27.6172.366.90000113.3E323E323-S325 PolarHBondContact O-N 2.72Å; E323-S325 VanDerWaalsContact O-N 3.09Å; E323-S325 VanDerWaalsContact OE2-CB 3.32Å; E323-S325 WeakPolarHBondContact OE2-CB 3.13Å; E323-S325 PolarHBondContact OE2-OG 3.3Å
326S82.6Confident84.8Confident45 Ų4581.7 Ų81.732%0.31541%0.413SS..G310 helixtrans-90.4-15.8-175.773.90000114.1E323 D324 R328E323-S326 WeakPolarHBondContact O-CB 3.42Å; E323-S326 PolarHBondContact O-N 2.67Å; E323-S326 PolarHBondContact O-OG 3.41Å; D324-S326 PolarHBondContact O-N 2.82Å; S326-R328 PolarHBondContact O-N 3.29Å
327L85.9Confident85Confident24 Ų2484.5 Ų84.513%0.12643%0.426CS..  trans-74.9110.2-167.8-168.372.9000111.9P170 L173 L303 D324 R329 W330P170-L327 VanDerWaalsContact CB-O 3.26Å; P170-L327 WeakPolarHBondContact CB-O 3.17Å; P170-L327 VanDerWaalsContact CG-O 3.31Å; P170-L327 WeakPolarHBondContact CG-O 3.48Å; L173-L327 HydrophobicContact CD1-CD2 4.3Å; L173-L327 HydrophobicContact CD2-CD2 4.44Å; L173-L327 HydrophobicContact CD2-CG 4.39Å; L303-L327 HydrophobicContact CD2-CB 4.48Å; L303-L327 HydrophobicContact CD2-CD2 3.58Å; D324-L327 PolarHBondContact O-N 3.22Å; L327-R329 WeakPolarHBondContact CD1-O 3.42Å; L327-W330 HydrophobicContact CD2-CE3 3.73Å; L327-W330 HydrophobicContact CD2-CZ3 3.62Å
328R86.1Confident85.2Confident211 Ų21186.9 Ų86.980%0.79645%0.447SS*.  trans-94.3-20.7-178.4-65.2-176.4-178.9-82.2-3.5114.7S326S326-R328 PolarHBondContact O-N 3.29Å
329R89.4Confident85.2Confident210 Ų21084.6 Ų84.679%0.79244%0.435SS*.SBendtrans-151.3150.6-179.2-63.6-174.1178.9-174.8-1.9109.2L327L327-R329 WeakPolarHBondContact CD1-O 3.42Å
330W90.5Very high85.5Confident39 Ų3979.9 Ų79.915%0.14840%0.402CS..  trans-68.2154169.7-55.8122.7000111.5L173 V174 V302 L303 H306 L327 F334 L336L173-W330 HydrophobicContact CB-CZ2 3.87Å; L173-W330 HydrophobicContact CD1-CH2 3.92Å; L173-W330 HydrophobicContact CD1-CZ2 4.04Å; L173-W330 HydrophobicContact CD1-CZ3 4.4Å; L173-W330 HydrophobicContact CD2-CD2 4.19Å; L173-W330 HydrophobicContact CD2-CZ2 4.32Å; L173-W330 HydrophobicContact CG-CZ2 4.3Å; V174-W330 PolarHBondContact O-NE1 3.03Å; V302-W330 HydrophobicContact CB-CH2 3.71Å; V302-W330 HydrophobicContact CB-CZ2 3.83Å; V302-W330 HydrophobicContact CG1-CD2 4.47Å; V302-W330 HydrophobicContact CG1-CE3 4.48Å; V302-W330 HydrophobicContact CG1-CH2 3.42Å; V302-W330 VanDerWaalsContact CG1-CH2 3.42Å; V302-W330 HydrophobicContact CG1-CZ2 3.37Å; V302-W330 HydrophobicContact CG1-CZ3 3.99Å; L303-W330 HydrophobicContact CD2-CH2 4.08Å; L303-W330 HydrophobicContact CD2-CZ3 3.89Å; L303-W330 HydrophobicContact CG-CH2 4.03Å; L303-W330 HydrophobicContact CG-CZ3 4.27Å; H306-W330 HydrophobicContact CB-CE3 3.97Å; H306-W330 HydrophobicContact CB-CZ3 3.78Å; H306-W330 AromaticContact CD2-CE3 3.9Å; H306-W330 AromaticContact CG-CE3 3.65Å; H306-W330 AromaticContact CG-CZ3 3.86Å; H306-W330 AromaticContact ND1-CE3 3.84Å; H306-W330 AromaticContact ND1-CZ3 3.98Å; L327-W330 HydrophobicContact CD2-CE3 3.73Å; L327-W330 HydrophobicContact CD2-CZ3 3.62Å; W330-F334 HydrophobicContact CB-CD1 4.13Å; W330-F334 HydrophobicContact CD2-CD1 4.34Å; W330-F334 HydrophobicContact CD2-CE1 4.37Å; W330-F334 HydrophobicContact CE3-CD1 4.42Å; W330-F334 HydrophobicContact CE3-CE1 4.34Å; W330-F334 HydrophobicContact CG-CD1 4.22Å; W330-L336 HydrophobicContact CG-CD1 4.48Å
331H89.5Confident85.7Confident45 Ų4576.5 Ų76.521%0.20840%0.402CS..  trans-64135.7171.7-179.3-98.4000110.5H306 F309 L310 K333 F334H306-H331 WeakPolarHBondContact NE2-CB 2.99Å; H306-H331 PolarHBondContact NE2-N 3.32Å; F309-H331 HydrophobicContact CE1-CB 4.46Å; F309-H331 AromaticContact CE1-ND1 3.7Å; L310-H331 HydrophobicContact CD2-CB 4.12Å; H331-K333 PolarHBondContact ND1-N 2.72Å; H331-K333 PolarHBondContact O-N 3.14Å; H331-K333 VanDerWaalsContact O-N 3.07Å; H331-F334 VanDerWaalsContact O-CB 3.25Å; H331-F334 WeakPolarHBondContact O-CB 3.44Å; H331-F334 PolarHBondContact O-N 3.08Å
332P90.1Very high86.1Confident107 Ų10779.5 Ų79.570%0.69543%0.425SS*.THydrogen-bonded Turntrans-63.6-19.1-171.222.9-35.4000115.5
333K90.4Very high86.9Confident157 Ų15777.3 Ų77.368%0.68341%0.409SS*.THydrogen-bonded Turntrans-88.5-5.3172.5-63-170.9176.8-174.80114.5F309 H331 P335F309-K333 VanDerWaalsContact CZ-C 3.45Å; F309-K333 HydrophobicContact CZ-CB 3.89Å; F309-K333 VanDerWaalsContact CZ-O 3.29Å; F309-K333 WeakPolarHBondContact CZ-O 3.29Å; H331-K333 PolarHBondContact ND1-N 2.72Å; H331-K333 PolarHBondContact O-N 3.14Å; H331-K333 VanDerWaalsContact O-N 3.07Å; K333-P335 WeakPolarHBondContact O-CD 3.32Å
334F91.4Very high87.5Confident15 Ų1575.9 Ų75.97%0.06641%0.41CS..  trans-71.6118.5-177.1176.8-125.3000110.6V302 H306 F309 W330 H331 L336 A339 V340V302-F334 HydrophobicContact CG1-CE1 3.77Å; V302-F334 HydrophobicContact CG1-CZ 4.1Å; H306-F334 HydrophobicContact CB-CE1 4.13Å; H306-F334 HydrophobicContact CB-CE2 4.14Å; H306-F334 HydrophobicContact CB-CZ 3.92Å; H306-F334 AromaticContact CD2-CD1 3.82Å; H306-F334 AromaticContact CD2-CD2 3.95Å; H306-F334 AromaticContact CD2-CG 3.64Å; F309-F334 HydrophobicContact CB-CD2 3.78Å; F309-F334 HydrophobicContact CB-CE2 3.99Å; F309-F334 HydrophobicContact CD1-CB 3.98Å; F309-F334 AromaticContact CD1-CD2 3.69Å; F309-F334 HydrophobicContact CD1-CD2 3.69Å; F309-F334 HydrophobicContact CD1-CG 4.26Å; F309-F334 HydrophobicContact CD2-CD2 4.1Å; F309-F334 HydrophobicContact CE1-CB 3.83Å; F309-F334 HydrophobicContact CE1-CD2 4.34Å; F309-F334 AromaticContact CG-CD2 3.57Å; F309-F334 HydrophobicContact CG-CD2 3.57Å; F309-F334 HydrophobicContact CG-CE2 4.29Å; F309-F334 HydrophobicContact CZ-CB 4.32Å; W330-F334 HydrophobicContact CB-CD1 4.13Å; W330-F334 HydrophobicContact CD2-CD1 4.34Å; W330-F334 HydrophobicContact CD2-CE1 4.37Å; W330-F334 HydrophobicContact CE3-CD1 4.42Å; W330-F334 HydrophobicContact CE3-CE1 4.34Å; W330-F334 HydrophobicContact CG-CD1 4.22Å; H331-F334 VanDerWaalsContact O-CB 3.25Å; H331-F334 WeakPolarHBondContact O-CB 3.44Å; H331-F334 PolarHBondContact O-N 3.08Å; F334-L336 VanDerWaalsContact C-N 3.26Å; F334-L336 HydrophobicContact CD1-CB 4.35Å; F334-L336 HydrophobicContact CD1-CD1 4.21Å; F334-L336 HydrophobicContact CE1-CB 4.44Å; F334-L336 HydrophobicContact CE1-CD1 3.74Å; F334-L336 PolarHBondContact O-N 3.03Å; F334-A339 HydrophobicContact CD2-CB 4.37Å; F334-A339 HydrophobicContact CE2-CB 3.65Å; F334-A339 HydrophobicContact CZ-CB 4.24Å; F334-V340 HydrophobicContact CZ-CG2 4.29Å
335P89.7Confident88.1Confident59 Ų5976.8 Ų76.838%0.38342%0.418SS..  trans-80.776.4-177.433-33.3000110.2K333 E337 S338 A339K333-P335 WeakPolarHBondContact O-CD 3.32Å; P335-E337 VanDerWaalsContact C-N 3.25Å; P335-E337 PolarHBondContact O-N 3.19Å; P335-E337 VanDerWaalsContact O-N 3.08Å; P335-S338 PolarHBondContact O-N 2.9Å; P335-A339 HydrophobicContact CG-CB 4.03Å; P335-A339 PolarHBondContact O-N 3.16Å
336L88.9Confident88.7Confident32 Ų3276.2 Ų76.217%0.16841%0.414CS..THydrogen-bonded Turntrans-47.2-40.5-170.7-178.565000114.7V174 P176 V302 W330 F334 V340V174-L336 HydrophobicContact CB-CD2 4.46Å; V174-L336 HydrophobicContact CG1-CD2 4.23Å; P176-L336 HydrophobicContact CB-CG 4.42Å; P176-L336 HydrophobicContact CG-CD1 3.8Å; P176-L336 HydrophobicContact CG-CG 3.98Å; P176-L336 WeakPolarHBondContact CG-O 3.47Å; V302-L336 HydrophobicContact CG1-CD1 3.76Å; W330-L336 HydrophobicContact CG-CD1 4.48Å; F334-L336 VanDerWaalsContact C-N 3.26Å; F334-L336 HydrophobicContact CD1-CB 4.35Å; F334-L336 HydrophobicContact CD1-CD1 4.21Å; F334-L336 HydrophobicContact CE1-CB 4.44Å; F334-L336 HydrophobicContact CE1-CD1 3.74Å; F334-L336 PolarHBondContact O-N 3.03Å; L336-V340 VanDerWaalsContact O-CG2 3.32Å; L336-V340 WeakPolarHBondContact O-CG2 3.45Å
337E88.9Confident89.1Confident98 Ų9879.7 Ų79.746%0.45844%0.436SS..THydrogen-bonded Turntrans-85.6-8.9-177-60.5-70.617000113.5P176 H177 R180 P335P176-E337 WeakPolarHBondContact CA-OE1 3.47Å; H177-E337 WeakPolarHBondContact CB-OE2 3.32Å; H177-E337 PolarHBondContact N-OE1 2.81Å; H177-E337 PolarHBondContact N-OE2 3.18Å; R180-E337 IonicContact NH2-OE1 2.93Å; R180-E337 PolarHBondContact NH2-OE1 3.18Å; P335-E337 VanDerWaalsContact C-N 3.25Å; P335-E337 PolarHBondContact O-N 3.19Å; P335-E337 VanDerWaalsContact O-N 3.08Å
338S86.5Confident89.3Confident105 Ų10580.9 Ų80.973%0.73444%0.442SS*.THydrogen-bonded Turntrans-118.9-36.9-173.8-170.20000114P335 V340P335-S338 PolarHBondContact O-N 2.9Å; S338-V340 PolarHBondContact O-N 2.86Å
339A82.9Confident89.5Confident39 Ų3973.2 Ų73.232%0.32242%0.419SS..SBendtrans-74.4-12.1177.600000114F334 P335F334-A339 HydrophobicContact CD2-CB 4.37Å; F334-A339 HydrophobicContact CE2-CB 3.65Å; F334-A339 HydrophobicContact CZ-CB 4.24Å; P335-A339 HydrophobicContact CG-CB 4.03Å; P335-A339 PolarHBondContact O-N 3.16Å
340V85.8Confident89.3Confident6 Ų669.6 Ų69.64%0.03641%0.414CS..SBendtrans-96.898.4-178.2-175.70000109.4P176 L179 V302 F334 L336 S338P176-V340 HydrophobicContact CG-CB 4.05Å; P176-V340 HydrophobicContact CG-CG1 4.19Å; P176-V340 HydrophobicContact CG-CG2 3.77Å; L179-V340 HydrophobicContact CD1-CG1 3.94Å; L179-V340 HydrophobicContact CG-CG1 4.38Å; V302-V340 HydrophobicContact CB-CG2 4.43Å; V302-V340 HydrophobicContact CG1-CG2 3.97Å; V302-V340 HydrophobicContact CG2-CG1 4.29Å; V302-V340 HydrophobicContact CG2-CG2 4.14Å; F334-V340 HydrophobicContact CZ-CG2 4.29Å; L336-V340 VanDerWaalsContact O-CG2 3.32Å; L336-V340 WeakPolarHBondContact O-CG2 3.45Å; S338-V340 PolarHBondContact O-N 2.86Å
341A83Confident89.2Confident79 Ų7971.6 Ų71.665%0.65342%0.422SS*.  trans-53.9140.7179.300000112.6
342C87.7Confident88.8Confident99 Ų9971.5 Ų71.567%0.66943%0.425SS*.  trans-61.2137.1176.3-70.90000111.3V344C342-V344 PolarHBondContact O-N 3.29Å; C342-V344 VanDerWaalsContact O-N 3.16Å
343I92.8Very high87.9Confident17 Ų1768.7 Ų68.79%0.08741%0.408CS..  trans-70.4113.3-180-65.8159.5000109.2L179 L182 Q227 T230 V231 L298 L301L179-I343 HydrophobicContact CD2-CD1 3.48Å; L179-I343 VanDerWaalsContact CD2-CD1 3.48Å; L179-I343 HydrophobicContact CD2-CG1 4.23Å; L182-I343 HydrophobicContact CD2-CD1 3.44Å; L182-I343 VanDerWaalsContact CD2-CD1 3.44Å; Q227-I343 HydrophobicContact CB-CG2 3.98Å; Q227-I343 HydrophobicContact CG-CG2 4.11Å; Q227-I343 PolarHBondContact NE2-O 3.29Å; T230-I343 HydrophobicContact CG2-CG2 3.91Å; V231-I343 HydrophobicContact CG2-CD1 3.56Å; V231-I343 HydrophobicContact CG2-CG1 4.36Å; V231-I343 HydrophobicContact CG2-CG2 4.21Å; L298-I343 HydrophobicContact CD2-CD1 3.94Å; L301-I343 HydrophobicContact CD2-CD1 4.13Å; L301-I343 HydrophobicContact CD2-CG1 3.89Å
344V93.3Very high86.8Confident110 Ų11066.8 Ų66.867%0.66741%0.406SS*.PPolyproline II helixtrans-66130.5171.3-178.60000108.7T230 C342T230-V344 WeakPolarHBondContact CB-O 3.33Å; T230-V344 WeakPolarHBondContact CG2-O 3.39Å; T230-V344 PolarHBondContact OG1-O 3.11Å; C342-V344 PolarHBondContact O-N 3.29Å; C342-V344 VanDerWaalsContact O-N 3.16Å
345P94.7Very high85.4Confident63 Ų6372.8 Ų72.841%0.40944%0.438SS..PPolyproline II helixtrans-68.7133.3178.128-34.5000111.5T223 Q227T223-P345 WeakPolarHBondContact O-CB 3.42Å; Q227-P345 HydrophobicContact CG-CB 4.09Å
346S92.7Very high84.1Confident40 Ų4075.1 Ų75.128%0.2844%0.444SS..PPolyproline II helixtrans-62.6141.5170.9-172.40000110.6G226 T230 L348G226-S346 WeakPolarHBondContact O-CB 3.27Å; G226-S346 PolarHBondContact O-N 3.43Å; T230-S346 PolarHBondContact OG1-N 2.94Å; S346-L348 PolarHBondContact O-N 3.08Å
347P91.2Very high82.6Confident119 Ų11982.5 Ų82.577%0.77348%0.477SS*.PPolyproline II helixtrans-59128.5175.924.6-34.4000111.2
348L90.6Very high81.4Confident48 Ų4886.5 Ų86.525%0.25149%0.493SS..PPolyproline II helixtrans-79.4163.7175.7-58177.5000110.5E222 L238 L257 S346E222-L348 HydrophobicContact CB-CD1 3.68Å; L238-L348 HydrophobicContact CD1-CD2 3.6Å; L257-L348 HydrophobicContact CD2-CD1 4.49Å; S346-L348 PolarHBondContact O-N 3.08Å
349P89.5Confident80.4Confident50 Ų5085.4 Ų85.433%0.32548%0.478SS..PPolyproline II helixtrans-54.7145.3171.2-2434000111.6L238 Y240 R351L238-P349 HydrophobicContact CB-CG 3.71Å; Y240-P349 HydrophobicContact CD2-CB 4.28Å; Y240-P349 WeakPolarHBondContact CE2-O 3.48Å; P349-R351 PolarHBondContact O-N 2.91Å
350I86.1Confident79.8Confident134 Ų13489.7 Ų89.769%0.68750%0.5SS*.PPolyproline II helixtrans-65.1128.4175.5-59.1172.5000108.8
351R87.1Confident79.5Confident81 Ų8191.6 Ų91.631%0.30651%0.514SS..PPolyproline II helixtrans-73126.3176.8-172.6-176.9-69.3-177.8-4.4108.9E222 Y240 P349 S353 D354E222-R351 IonicContact OE1-NH2 3.49Å; E222-R351 PolarHBondContact OE1-NH2 3.05Å; E222-R351 IonicContact OE2-NH2 2.77Å; E222-R351 PolarHBondContact OE2-NH2 3.4Å; Y240-R351 HydrophobicContact CD1-CB 4.46Å; Y240-R351 HydrophobicContact CD1-CG 3.9Å; Y240-R351 HydrophobicContact CD2-CB 4.3Å; Y240-R351 HydrophobicContact CE1-CB 4.06Å; Y240-R351 HydrophobicContact CE1-CG 3.61Å; Y240-R351 HydrophobicContact CE2-CB 3.9Å; Y240-R351 HydrophobicContact CE2-CG 4.34Å; Y240-R351 HydrophobicContact CG-CG 4.36Å; Y240-R351 PolarHBondContact OH-NE 3.04Å; Y240-R351 VanDerWaalsContact OH-NE 3.09Å; Y240-R351 PolarHBondContact OH-NH2 3.43Å; P349-R351 PolarHBondContact O-N 2.91Å; R351-S353 WeakPolarHBondContact CD-OG 3.44Å; R351-S353 VanDerWaalsContact CG-OG 3.26Å; R351-S353 WeakPolarHBondContact CG-OG 3.3Å; R351-S353 PolarHBondContact O-N 2.79Å; R351-S353 VanDerWaalsContact O-N 3.14Å; R351-D354 WeakPolarHBondContact O-CB 3.37Å; R351-D354 PolarHBondContact O-N 2.78Å
352P81.3Confident79.3Confident43 Ų4391.7 Ų91.728%0.27952%0.515SS..Hα-helixtrans-64.4-24.4-170.7-25.134.5000115.1Y255 D354 L355 E356Y255-P352 HydrophobicContact CD1-CB 4.03Å; Y255-P352 HydrophobicContact CD1-CG 3.76Å; Y255-P352 HydrophobicContact CD2-CB 4.34Å; Y255-P352 HydrophobicContact CE1-CB 3.61Å; Y255-P352 HydrophobicContact CE1-CG 3.72Å; Y255-P352 HydrophobicContact CE2-CB 3.96Å; Y255-P352 HydrophobicContact CG-CB 4.37Å; Y255-P352 HydrophobicContact CG-CG 4.28Å; P352-D354 PolarHBondContact O-N 3.11Å; P352-L355 WeakPolarHBondContact O-CB 3.37Å; P352-L355 PolarHBondContact O-N 3.24Å; P352-E356 PolarHBondContact O-N 2.9Å
353S71.5Confident79.1Confident49 Ų4994.2 Ų94.234%0.34352%0.515SS..Hα-helixtrans-57.4-25.2171.249.50000113.9R351R351-S353 WeakPolarHBondContact CD-OG 3.44Å; R351-S353 VanDerWaalsContact CG-OG 3.26Å; R351-S353 WeakPolarHBondContact CG-OG 3.3Å; R351-S353 PolarHBondContact O-N 2.79Å; R351-S353 VanDerWaalsContact O-N 3.14Å
354D67Low78.6Confident117 Ų11796.4 Ų96.463%0.62653%0.526SS*.Hα-helixtrans-90.2-15.8-172.5-48.90.5000110.1R351 P352R351-D354 WeakPolarHBondContact O-CB 3.37Å; R351-D354 PolarHBondContact O-N 2.78Å; P352-D354 PolarHBondContact O-N 3.11Å
355L63Low77.9Confident141 Ų14193 Ų9374%0.73851%0.51SS*.Hα-helixtrans-86.1-29.4167.9-155.280.4000111.8P352 Q357P352-L355 WeakPolarHBondContact O-CB 3.37Å; P352-L355 PolarHBondContact O-N 3.24Å; L355-Q357 PolarHBondContact O-N 3.45Å
356E61.6Low77.2Confident108 Ų10894.7 Ų94.751%0.50552%0.519SS..SBendtrans-71.990.6172.4-69.8-175.6-132.700109.8Y255 P352 K358Y255-E356 PolarHBondContact OH-OE1 2.98Å; P352-E356 PolarHBondContact O-N 2.9Å; E356-K358 PolarHBondContact O-N 3.34Å
357Q58.6Low76.6Confident186 Ų18698.3 Ų98.387%0.86953%0.529SS*.  trans-46107.9178.6-73.8-174.9-1500111.6L355 I359L355-Q357 PolarHBondContact O-N 3.45Å; Q357-I359 PolarHBondContact O-N 3.35Å; Q357-I359 VanDerWaalsContact O-N 3.16Å
358K62.4Low75.9Confident182 Ų18293.9 Ų93.979%0.79150%0.503SS*.  trans-57.3121.7-176.5-172.5177.2-176.6179.10109.3E356 T360E356-K358 PolarHBondContact O-N 3.34Å; K358-T360 HydrophobicContact CG-CG2 4.49Å; K358-T360 PolarHBondContact O-N 3.24Å
359I66.5Low75.1Confident82 Ų8299.2 Ų99.242%0.42152%0.524SS..  trans-69.393-177.7-60172.6000109.1Q357 A365 A368Q357-I359 PolarHBondContact O-N 3.35Å; Q357-I359 VanDerWaalsContact O-N 3.16Å; I359-A365 VanDerWaalsContact CG2-CA 3.46Å; I359-A365 HydrophobicContact CG2-CB 3.54Å; I359-A368 HydrophobicContact CD1-CB 3.55Å; I359-A368 HydrophobicContact CG1-CB 4.5Å
360T69.5Low74.6Confident129 Ų129102.8 Ų102.879%0.79154%0.537SS*.  trans-98.2-19.8177.850.20000113K358K358-T360 HydrophobicContact CG-CG2 4.49Å; K358-T360 PolarHBondContact O-N 3.24Å
361S80.5Confident74.1Confident47 Ų4798.4 Ų98.433%0.32952%0.521SS..SBendtrans-109.8136.2-179.6173.20000111.5K363 D364 A365S361-K363 PolarHBondContact O-N 3.23Å; S361-K363 PolarHBondContact OG-N 3.39Å; S361-D364 WeakPolarHBondContact CB-OD2 3.22Å; S361-D364 PolarHBondContact O-N 3.41Å; S361-A365 PolarHBondContact O-N 2.96Å
362A78.8Confident73.6Confident81 Ų81102.4 Ų102.467%0.66954%0.536SS*.Hα-helixtrans-58-31.4174.100000112.5D364 A365 V366A362-D364 VanDerWaalsContact C-N 3.32Å; A362-D364 PolarHBondContact O-N 2.92Å; A362-A365 WeakPolarHBondContact O-CB 3.26Å; A362-A365 PolarHBondContact O-N 2.92Å; A362-V366 WeakPolarHBondContact O-CG2 3.43Å; A362-V366 PolarHBondContact O-N 3.23Å
363K82.5Confident73.4Confident152 Ų152101.8 Ų101.866%0.66154%0.535SS*.Hα-helixtrans-63-39.5176-170.7174.7-174.5174.20111.7S361 K367S361-K363 PolarHBondContact O-N 3.23Å; S361-K363 PolarHBondContact OG-N 3.39Å; K363-K367 WeakPolarHBondContact O-CG 3.29Å; K363-K367 PolarHBondContact O-N 3.23Å; K363-K367 VanDerWaalsContact O-N 3.16Å
364D81.7Confident73.5Confident62 Ų62104.3 Ų104.333%0.33254%0.544SS..Hα-helixtrans-83.1-25.6-179.9-59-59.3000111.8S361 A362 K367 A368S361-D364 WeakPolarHBondContact CB-OD2 3.22Å; S361-D364 PolarHBondContact O-N 3.41Å; A362-D364 VanDerWaalsContact C-N 3.32Å; A362-D364 PolarHBondContact O-N 2.92Å; D364-K367 PolarHBondContact O-N 3.39Å; D364-K367 WeakPolarHBondContact OD1-CD 3.49Å; D364-K367 VanDerWaalsContact OD1-CE 3.27Å; D364-K367 WeakPolarHBondContact OD1-CE 3.21Å; D364-K367 IonicContact OD1-NZ 3.51Å; D364-K367 PolarHBondContact OD1-NZ 2.96Å; D364-A368 VanDerWaalsContact O-CB 3.3Å; D364-A368 WeakPolarHBondContact O-CB 3.05Å; D364-A368 PolarHBondContact O-N 2.81Å
365A78.6Confident73.6Confident39 Ų39105.8 Ų105.832%0.32255%0.545SS..Hα-helixtrans-60.3-46.116600000111.4I359 S361 A362 A368 F369I359-A365 VanDerWaalsContact CG2-CA 3.46Å; I359-A365 HydrophobicContact CG2-CB 3.54Å; S361-A365 PolarHBondContact O-N 2.96Å; A362-A365 WeakPolarHBondContact O-CB 3.26Å; A362-A365 PolarHBondContact O-N 2.92Å; A365-A368 PolarHBondContact O-N 2.92Å; A365-F369 WeakPolarHBondContact O-CB 3.47Å; A365-F369 PolarHBondContact O-N 3.42Å
366V81.7Confident74.1Confident98 Ų98108.4 Ų108.459%0.59455%0.545SS*.Hα-helixtrans-62.9-45.4175.6172.50000111.3A362 A368 F369 Q370A362-V366 WeakPolarHBondContact O-CG2 3.43Å; A362-V366 PolarHBondContact O-N 3.23Å; V366-A368 PolarHBondContact O-N 3.27Å; V366-F369 PolarHBondContact O-N 3.48Å; V366-Q370 WeakPolarHBondContact O-CB 3.2Å; V366-Q370 PolarHBondContact O-N 3.22Å
367K79.6Confident74.6Confident116 Ų116108.6 Ų108.650%0.50455%0.546SS..Hα-helixtrans-57-48.3174.1-69.7177.3-167.2163.40112.1K363 D364 F369 Q370 A371K363-K367 WeakPolarHBondContact O-CG 3.29Å; K363-K367 PolarHBondContact O-N 3.23Å; K363-K367 VanDerWaalsContact O-N 3.16Å; D364-K367 PolarHBondContact O-N 3.39Å; D364-K367 WeakPolarHBondContact OD1-CD 3.49Å; D364-K367 VanDerWaalsContact OD1-CE 3.27Å; D364-K367 WeakPolarHBondContact OD1-CE 3.21Å; D364-K367 IonicContact OD1-NZ 3.51Å; D364-K367 PolarHBondContact OD1-NZ 2.96Å; K367-F369 VanDerWaalsContact C-N 3.35Å; K367-F369 PolarHBondContact O-N 2.94Å; K367-Q370 PolarHBondContact O-N 2.92Å; K367-A371 WeakPolarHBondContact O-CB 3.41Å; K367-A371 PolarHBondContact O-N 2.98Å
368A76.4Confident75.2Confident27 Ų27101.6 Ų101.622%0.22352%0.52CS..Hα-helixtrans-66.3-37.3-178.300000111.9I359 D364 A365 V366 R372I359-A368 HydrophobicContact CD1-CB 3.55Å; I359-A368 HydrophobicContact CG1-CB 4.5Å; D364-A368 VanDerWaalsContact O-CB 3.3Å; D364-A368 WeakPolarHBondContact O-CB 3.05Å; D364-A368 PolarHBondContact O-N 2.81Å; A365-A368 PolarHBondContact O-N 2.92Å; V366-A368 PolarHBondContact O-N 3.27Å; A368-R372 WeakPolarHBondContact O-CB 3.39Å; A368-R372 WeakPolarHBondContact O-CD 3.42Å; A368-R372 WeakPolarHBondContact O-CG 3.37Å; A368-R372 PolarHBondContact O-N 2.78Å
369F73.7Confident75.6Confident159 Ų15998 Ų9870%0.69751%0.509SS*.Hα-helixtrans-67-44.6174.1-163.8-86.5000111.4A365 V366 K367 A371 R372 A373A365-F369 WeakPolarHBondContact O-CB 3.47Å; A365-F369 PolarHBondContact O-N 3.42Å; V366-F369 PolarHBondContact O-N 3.48Å; K367-F369 VanDerWaalsContact C-N 3.35Å; K367-F369 PolarHBondContact O-N 2.94Å; F369-A371 PolarHBondContact O-N 2.88Å; F369-R372 PolarHBondContact O-N 3.22Å; F369-A373 WeakPolarHBondContact O-CB 3.29Å; F369-A373 PolarHBondContact O-N 3.16Å
370Q77.9Confident76.1Confident125 Ų12597.8 Ų97.858%0.58451%0.512SS*.Hα-helixtrans-61.5-42.8175.8-171.4177.127.800111.9V366 K367 A373 L374V366-Q370 WeakPolarHBondContact O-CB 3.2Å; V366-Q370 PolarHBondContact O-N 3.22Å; K367-Q370 PolarHBondContact O-N 2.92Å; Q370-A373 PolarHBondContact O-N 2.66Å; Q370-L374 HydrophobicContact CG-CD1 4.49Å; Q370-L374 WeakPolarHBondContact O-CG 3.21Å; Q370-L374 PolarHBondContact O-N 2.77Å
371A76.3Confident76Confident43 Ų4395.6 Ų95.636%0.35550%0.501SS..Hα-helixtrans-60.9-46.217400000111.8K367 F369 A373 L374 F375K367-A371 WeakPolarHBondContact O-CB 3.41Å; K367-A371 PolarHBondContact O-N 2.98Å; F369-A371 PolarHBondContact O-N 2.88Å; A371-A373 VanDerWaalsContact C-N 3.32Å; A371-A373 PolarHBondContact O-N 3.48Å; A371-L374 PolarHBondContact O-N 2.87Å; A371-F375 WeakPolarHBondContact O-CD2 3.39Å; A371-F375 PolarHBondContact O-N 3.22Å; A371-F375 VanDerWaalsContact O-N 3.13Å
372R76.6Confident75.8Confident165 Ų16599 Ų9962%0.62351%0.511SS*.Hα-helixtrans-63.5-34.7176.7-72.3168.1-179.5-176.70.4112.8A368 F369 R376A368-R372 WeakPolarHBondContact O-CB 3.39Å; A368-R372 WeakPolarHBondContact O-CD 3.42Å; A368-R372 WeakPolarHBondContact O-CG 3.37Å; A368-R372 PolarHBondContact O-N 2.78Å; F369-R372 PolarHBondContact O-N 3.22Å; R372-R376 PolarHBondContact O-N 2.96Å
373A76.9Confident75.7Confident30 Ų30101.6 Ų101.625%0.24851%0.51CS..Hα-helixtrans-65.1-49.4173.500000111.2F369 Q370 A371 F375 R376 E377F369-A373 WeakPolarHBondContact O-CB 3.29Å; F369-A373 PolarHBondContact O-N 3.16Å; Q370-A373 PolarHBondContact O-N 2.66Å; A371-A373 VanDerWaalsContact C-N 3.32Å; A371-A373 PolarHBondContact O-N 3.48Å; A373-F375 VanDerWaalsContact C-N 3.26Å; A373-F375 PolarHBondContact O-N 3.34Å; A373-R376 PolarHBondContact O-N 2.88Å; A373-E377 WeakPolarHBondContact O-CG 3.4Å; A373-E377 PolarHBondContact O-N 3.17Å
374L73.3Confident75.4Confident102 Ų10298.1 Ų98.153%0.53450%0.497SS..Hα-helixtrans-58.1-34.7177.8-71169.8000113.2Q370 A371 A378Q370-L374 HydrophobicContact CG-CD1 4.49Å; Q370-L374 WeakPolarHBondContact O-CG 3.21Å; Q370-L374 PolarHBondContact O-N 2.77Å; A371-L374 PolarHBondContact O-N 2.87Å; L374-A378 VanDerWaalsContact O-CB 3.31Å; L374-A378 WeakPolarHBondContact O-CB 3.42Å; L374-A378 PolarHBondContact O-N 3.45Å
375F70.3Confident74.9Confident148 Ų14897.9 Ų97.965%0.64950%0.501SS*.Hα-helixtrans-67-47.1172.1-75.3-65.6000112.3A371 A373 E377 A378 D379A371-F375 WeakPolarHBondContact O-CD2 3.39Å; A371-F375 PolarHBondContact O-N 3.22Å; A371-F375 VanDerWaalsContact O-N 3.13Å; A373-F375 VanDerWaalsContact C-N 3.26Å; A373-F375 PolarHBondContact O-N 3.34Å; F375-E377 VanDerWaalsContact C-N 3.33Å; F375-E377 PolarHBondContact O-N 3.48Å; F375-A378 WeakPolarHBondContact O-CB 3.07Å; F375-A378 PolarHBondContact O-N 3.46Å; F375-A378 VanDerWaalsContact O-N 3.16Å; F375-D379 PolarHBondContact O-N 2.96Å
376R73.5Confident74.7Confident195 Ų195100 Ų10074%0.73651%0.506SS*.Hα-helixtrans-62.5-38.7176.6-74.4-174172.1-162.5-1.6112.8R372 A373 T380R372-R376 PolarHBondContact O-N 2.96Å; A373-R376 PolarHBondContact O-N 2.88Å; R376-T380 WeakPolarHBondContact O-CB 3.41Å; R376-T380 PolarHBondContact O-N 3.29Å; R376-T380 PolarHBondContact O-OG1 3.26Å
377E72.5Confident74.1Confident112 Ų11298.6 Ų98.652%0.52350%0.501SS..Hα-helixtrans-64.3-42173.9-72.7169.3-163.300111A373 F375 T380 C381A373-E377 WeakPolarHBondContact O-CG 3.4Å; A373-E377 PolarHBondContact O-N 3.17Å; F375-E377 VanDerWaalsContact C-N 3.33Å; F375-E377 PolarHBondContact O-N 3.48Å; E377-T380 PolarHBondContact O-N 2.83Å; E377-C381 VanDerWaalsContact O-CB 3.31Å; E377-C381 WeakPolarHBondContact O-CB 3.39Å; E377-C381 PolarHBondContact O-N 3.13Å; E377-C381 PolarHBondContact O-SG 3.03Å; E377-C381 VanDerWaalsContact O-SG 3.36Å
378A69.9Low73Confident39 Ų39100.4 Ų100.432%0.32251%0.508SS..Hα-helixtrans-62.6-46.1175.600000112.6L374 F375 T380 C381 H382L374-A378 VanDerWaalsContact O-CB 3.31Å; L374-A378 WeakPolarHBondContact O-CB 3.42Å; L374-A378 PolarHBondContact O-N 3.45Å; F375-A378 WeakPolarHBondContact O-CB 3.07Å; F375-A378 PolarHBondContact O-N 3.46Å; F375-A378 VanDerWaalsContact O-N 3.16Å; A378-T380 VanDerWaalsContact C-N 3.34Å; A378-T380 PolarHBondContact O-N 2.93Å; A378-C381 PolarHBondContact O-N 3.27Å; A378-H382 WeakPolarHBondContact O-CB 3.2Å; A378-H382 PolarHBondContact O-N 3.03Å
379D71.6Confident72.1Confident107 Ų107106.4 Ų106.457%0.57253%0.532SS*.Hα-helixtrans-61.8-42.6176.2-68.5-27000111.4F375 H382 Q383F375-D379 PolarHBondContact O-N 2.96Å; D379-H382 WeakPolarHBondContact O-CB 3.07Å; D379-H382 PolarHBondContact O-N 3.03Å; D379-Q383 VanDerWaalsContact O-CG 3.24Å; D379-Q383 WeakPolarHBondContact O-CG 3.13Å; D379-Q383 PolarHBondContact O-N 2.97Å
380T75.3Confident71.2Confident78 Ų78107.2 Ų107.248%0.47954%0.538SS..Hα-helixtrans-65.5-44178.1-55.90000111.3R376 E377 A378 H382 Q383 I384R376-T380 WeakPolarHBondContact O-CB 3.41Å; R376-T380 PolarHBondContact O-N 3.29Å; R376-T380 PolarHBondContact O-OG1 3.26Å; E377-T380 PolarHBondContact O-N 2.83Å; A378-T380 VanDerWaalsContact C-N 3.34Å; A378-T380 PolarHBondContact O-N 2.93Å; T380-H382 VanDerWaalsContact C-N 3.3Å; T380-H382 PolarHBondContact O-N 3.11Å; T380-Q383 PolarHBondContact O-N 2.84Å; T380-I384 HydrophobicContact CG2-CD1 3.94Å; T380-I384 WeakPolarHBondContact O-CB 3.41Å; T380-I384 VanDerWaalsContact O-CG1 3.28Å; T380-I384 WeakPolarHBondContact O-CG1 3.33Å; T380-I384 PolarHBondContact O-N 2.63Å
381C69.1Low69.5Low83 Ų83108 Ų10856%0.56155%0.545SS*.Hα-helixtrans-64.8-33.1174.4-76.30000112.4E377 A378 S385E377-C381 VanDerWaalsContact O-CB 3.31Å; E377-C381 WeakPolarHBondContact O-CB 3.39Å; E377-C381 PolarHBondContact O-N 3.13Å; E377-C381 PolarHBondContact O-SG 3.03Å; E377-C381 VanDerWaalsContact O-SG 3.36Å; A378-C381 PolarHBondContact O-N 3.27Å; C381-S385 WeakPolarHBondContact O-CB 3.43Å; C381-S385 PolarHBondContact O-N 3.31Å
382H75.5Confident68Low117 Ų117110.9 Ų110.954%0.54256%0.562SS.*Hα-helixtrans-66.7-47.8174-170.556.3000111.5A378 D379 T380 I384 S385 L386A378-H382 WeakPolarHBondContact O-CB 3.2Å; A378-H382 PolarHBondContact O-N 3.03Å; D379-H382 WeakPolarHBondContact O-CB 3.07Å; D379-H382 PolarHBondContact O-N 3.03Å; T380-H382 VanDerWaalsContact C-N 3.3Å; T380-H382 PolarHBondContact O-N 3.11Å; H382-I384 VanDerWaalsContact C-N 3.34Å; H382-I384 PolarHBondContact O-N 3.1Å; H382-S385 WeakPolarHBondContact O-CB 3.25Å; H382-S385 PolarHBondContact O-N 3.45Å; H382-S385 VanDerWaalsContact O-N 3.1Å; H382-L386 WeakPolarHBondContact O-CG 3.32Å; H382-L386 PolarHBondContact O-N 2.76Å
383Q77.6Confident66.5Low137 Ų137109 Ų10964%0.6457%0.572SS**Hα-helixtrans-56-44.5173-67.5-92.29.700112.3D379 T380 S385 L386 S387D379-Q383 VanDerWaalsContact O-CG 3.24Å; D379-Q383 WeakPolarHBondContact O-CG 3.13Å; D379-Q383 PolarHBondContact O-N 2.97Å; T380-Q383 PolarHBondContact O-N 2.84Å; Q383-S385 VanDerWaalsContact C-N 3.35Å; Q383-L386 PolarHBondContact O-N 3.09Å; Q383-S387 PolarHBondContact O-N 2.91Å; Q383-S387 PolarHBondContact O-OG 2.8Å
384I75.9Confident65.2Low79 Ų79115.2 Ų115.241%0.40560%0.599SS.*Hα-helixtrans-67.3-34176.9-68.2167.4000111.6T380 H382 S387 K388T380-I384 HydrophobicContact CG2-CD1 3.94Å; T380-I384 WeakPolarHBondContact O-CB 3.41Å; T380-I384 VanDerWaalsContact O-CG1 3.28Å; T380-I384 WeakPolarHBondContact O-CG1 3.33Å; T380-I384 PolarHBondContact O-N 2.63Å; H382-I384 VanDerWaalsContact C-N 3.34Å; H382-I384 PolarHBondContact O-N 3.1Å; I384-S387 WeakPolarHBondContact CA-OG 3.47Å; I384-S387 PolarHBondContact O-OG 3.29Å; I384-K388 HydrophobicContact CG2-CD 4.11Å; I384-K388 WeakPolarHBondContact O-CB 3.5Å; I384-K388 VanDerWaalsContact O-CG 3.28Å; I384-K388 WeakPolarHBondContact O-CG 3.47Å; I384-K388 PolarHBondContact O-N 2.94Å
385S71.6Confident63.9Low57 Ų57115.7 Ų115.740%0.39961%0.608SS.*Hα-helixtrans-69.8-40.5175.8-169.20000112.3C381 H382 Q383 Q389C381-S385 WeakPolarHBondContact O-CB 3.43Å; C381-S385 PolarHBondContact O-N 3.31Å; H382-S385 WeakPolarHBondContact O-CB 3.25Å; H382-S385 PolarHBondContact O-N 3.45Å; H382-S385 VanDerWaalsContact O-N 3.1Å; Q383-S385 VanDerWaalsContact C-N 3.35Å; S385-Q389 PolarHBondContact O-N 3.28Å
386L73.5Confident62.6Low84 Ų84114 Ų11444%0.4462%0.615SS.*Hα-helixtrans-67.1-49.5178.4-69.7169.6000111.2H382 Q383 K388 Q389H382-L386 WeakPolarHBondContact O-CG 3.32Å; H382-L386 PolarHBondContact O-N 2.76Å; Q383-L386 PolarHBondContact O-N 3.09Å; L386-K388 VanDerWaalsContact C-N 3.29Å; L386-K388 PolarHBondContact O-N 3.4Å; L386-Q389 PolarHBondContact O-N 3.34Å; L386-Q389 VanDerWaalsContact O-N 3.08Å
387S69.1Low61.8Low68 Ų68110.8 Ų110.848%0.47662%0.619SS.*Hα-helixtrans-61.7-33.7177.949.20000113.2Q383 I384 Q389 Q390Q383-S387 PolarHBondContact O-N 2.91Å; Q383-S387 PolarHBondContact O-OG 2.8Å; I384-S387 WeakPolarHBondContact CA-OG 3.47Å; I384-S387 PolarHBondContact O-OG 3.29Å; S387-Q389 VanDerWaalsContact C-N 3.32Å; S387-Q389 PolarHBondContact O-N 3.14Å; S387-Q390 PolarHBondContact O-N 2.94Å
388K57.3Low60.3Low153 Ų153115 Ų11567%0.66564%0.636SS**Hα-helixtrans-70.5-20.2174.1-78.3178.9178.1179.70114.7I384 L386 Q390I384-K388 HydrophobicContact CG2-CD 4.11Å; I384-K388 WeakPolarHBondContact O-CB 3.5Å; I384-K388 VanDerWaalsContact O-CG 3.28Å; I384-K388 WeakPolarHBondContact O-CG 3.47Å; I384-K388 PolarHBondContact O-N 2.94Å; L386-K388 VanDerWaalsContact C-N 3.29Å; L386-K388 PolarHBondContact O-N 3.4Å; K388-Q390 PolarHBondContact O-N 3.31Å
389Q57.5Low58.8Low154 Ų154122.7 Ų122.772%0.7266%0.662SS**THydrogen-bonded Turntrans-76.9-6.9175.5-76-179.4-23.300113.5S385 L386 S387S385-Q389 PolarHBondContact O-N 3.28Å; L386-Q389 PolarHBondContact O-N 3.34Å; L386-Q389 VanDerWaalsContact O-N 3.08Å; S387-Q389 VanDerWaalsContact C-N 3.32Å; S387-Q389 PolarHBondContact O-N 3.14Å
390Q53.1Low57.2Low175 Ų175122.6 Ų122.682%0.81867%0.67SS**THydrogen-bonded Turntrans-97.85.5-178.2-154.7165.4-1.700114S387 K388S387-Q390 PolarHBondContact O-N 2.94Å; K388-Q390 PolarHBondContact O-N 3.31Å
391L43.2Very low55.5Low143 Ų143125.1 Ų125.175%0.74969%0.685SS**SBendtrans-107.9129.6175.2-76.8161000110.6
392S43.8Very low53.9Low102 Ų102125.7 Ų125.771%0.71370%0.696SS**PPolyproline II helixtrans-72.9148.9-174.646.80000113I394S392-I394 PolarHBondContact O-N 2.83Å
393P46Very low51.9Low126 Ų126124.9 Ų124.982%0.81871%0.709SS**PPolyproline II helixtrans-66.7117.6177.6-1932.1000111.6
394I49.8Very low50.1Low160 Ų160123.7 Ų123.782%0.82172%0.716SS**PPolyproline II helixtrans-75.7123.6170.7-60.9175.5000108.1S392S392-I394 PolarHBondContact O-N 2.83Å
395P46.8Very low48.5Very low112 Ų112125.4 Ų125.473%0.72773%0.732SS**PPolyproline II helixtrans-78.2139.2-174.230.8-35.1000112.5P397P395-P397 WeakPolarHBondContact O-CD 3.31Å
396S42.7Very low47.1Very low113 Ų113129.1 Ų129.179%0.7975%0.747SS**PPolyproline II helixtrans-70.7120.4-179.5-42.40000112.6
397P55.9Low45.2Very low127 Ų127133.6 Ų133.683%0.82576%0.763SS**PPolyproline II helixtrans-71.8156.1167.331-33.8000111P395P395-P397 WeakPolarHBondContact O-CD 3.31Å
398K41.4Very low43.7Very low201 Ų201136.7 Ų136.787%0.87478%0.778SS**  trans-105.1131-171.9-63173.4-177.6173.40112.1
399K38.4Very low42.8Very low201 Ų201134.8 Ų134.887%0.87478%0.782SS**  trans49.1139.7136.1-152.6-178.6-174.2-177.10120.3
400S37.8Very low42Very low104 Ų104133.7 Ų133.773%0.72779%0.785SS**  trans92.7154.1151.778.90000119.6
401V40.4Very low41.1Very low131 Ų131130.6 Ų130.679%0.79478%0.779SS**  trans62.2104.1178-162.40000113.8
402A33.8Very low40.9Very low96 Ų96129.8 Ų129.879%0.79378%0.78SS**  cis84.1159.842.500000114.6
403A34.9Very low40.7Very low100 Ų100131.5 Ų131.583%0.82678%0.781SS**  trans77.7101.9-175.400000117.7
404S39.9Very low40.4Very low111 Ų111130.3 Ų130.378%0.77678%0.776SS**  trans-71.6171.4149-440000110.2
405P42.5Very low39.8Very low115 Ų115129.2 Ų129.275%0.74778%0.777SS**  -150.6141100.835-16.7000118.7
406L40.6Very low39.4Very low136 Ų136127.3 Ų127.371%0.71277%0.77SS**  trans39.6135.1136.2-69.195.6000124.6
407K33.8Very low39.5Very low177 Ų177132.3 Ų132.377%0.7777%0.773SS**  trans63.5150.2135.5-69-175.6178.1-179.10118.5
408V38.5Very low38.7Very low133 Ų133132.2 Ų132.281%0.80677%0.77SS**  cis-145.3151.439.3-82.30000114.8
409P38.1Very low38.7Very low114 Ų114128.9 Ų128.974%0.7477%0.767SS**  trans-122.9138.9162.637.6-25.3000114.3
410V41.8Very low38.8Very low130 Ų130124 Ų12479%0.78876%0.758SS**  trans-152.8117.1170.9179.10000106.1
411T33.9Very low39Very low111 Ų111126 Ų12668%0.68176%0.761SS**  88.315066.9-48.90000113.8
412T38.4Very low39.1Very low125 Ų125126.6 Ų126.677%0.76776%0.759SS**  trans92.4141.7179.271.30000118.2
413D38.5Very low39.4Very low138 Ų138128 Ų12874%0.73876%0.757SS**  cis-174.2160.9-42.7-106.6-42.4000110.4
414S39.7Very low39.5Very low102 Ų102126.4 Ų126.471%0.71375%0.751SS**  trans97.5120.4161.8-42.90000120.6
415T38.9Very low39.3Very low137 Ų137127 Ų12784%0.8475%0.75SS**  trans40.6131.4138.859.60000120.8
416A38.4Very low39.2Very low72 Ų72130 Ų13060%0.59575%0.753SS**  cis-168.7-165.93.400000108
417Y44.6Very low38.8Very low218 Ų218129.8 Ų129.886%0.85576%0.758SS**  cis-154.2165.413.2-37.8-110.6000112.3
418T38Very low38.7Very low124 Ų124128.8 Ų128.876%0.76176%0.761SS**  trans29.1111.6144.4-490000121.9
419T41Very low38.6Very low132 Ų132127 Ų12781%0.8175%0.754SS**  -157.7124.8113.30.70000113
420S42.1Very low38.5Very low97 Ų97130.8 Ų130.868%0.67876%0.759SS**  trans28.4108.8158.556.20000122.2
421N41.4Very low38Very low147 Ų147132.6 Ų132.679%0.78676%0.759SS**  44.6141.3103-72.614.1000121.1
422L42.4Very low38Very low144 Ų144132.7 Ų132.775%0.75476%0.764SS**  cis-170.5166.2-9.4-163.967.6000110.9
423V39.8Very low37.6Very low126 Ų126136 Ų13676%0.76477%0.768SS**  trans73.6133.6167.3-163.90000113.4
424G36.5Very low37.3Very low66 Ų66135.8 Ų135.868%0.6877%0.767SS**  cis116.7143.323.300000108.3
425T36.3Very low36.8Very low123 Ų123140.2 Ų140.276%0.75578%0.776SS**  cis-152.1138.419.9470000113.6
426Q40.6Very low36.6Very low177 Ų177141.8 Ų141.883%0.82778%0.776SS**  trans47163.2136.7-61.4-163.357.300124.2
427T31.6Very low36.6Very low132 Ų132143.9 Ų143.981%0.8178%0.781SS**  trans74.7107.5173.664.80000115.1
428D33.2Very low35.9Very low157 Ų157138.2 Ų138.284%0.8477%0.77SS**  cis102.715634.1-169.328000111.7
429S36Very low36.2Very low94 Ų94137.9 Ų137.966%0.65777%0.772SS**  trans79.294.7-175.9-56.80000118.8
430K35.2Very low36.4Very low194 Ų194133.5 Ų133.584%0.84375%0.746SS**  67.9161.6128.3-72.6-178.1175.5178.40123.1
431E30.9Very low36.9Very low169 Ų169133 Ų13379%0.7974%0.739SS**  trans82.1103.1157.9-131.696.8-95.900119.1
432S33.9Very low37.6Very low112 Ų112132.3 Ų132.378%0.78374%0.736SS**  trans42.590.5152.955.50000119.1
433K30.2Very low38.4Very low194 Ų194133 Ų13384%0.84374%0.741SS**  trans-90176.4152.8-105.4-171.3178.3-175.50111.7
434D33.1Very low39.3Very low135 Ų135129.4 Ų129.472%0.72272%0.717SS**  trans70.4105.6172.9-55.8-4.7000114.2
435E29.9Very low40.1Very low194 Ų194134.7 Ų134.791%0.90772%0.721SS**  cis54.370.816.3-93.5-128.1126.400113.7
436M33.6Very low41.6Very low171 Ų171133 Ų13384%0.84273%0.727SS**  trans-143.1100.9148.1-140.1-179.7178.200115.7
437V38.9Very low43.1Very low115 Ų115128.3 Ų128.370%0.69771%0.708SS**  trans47.3102.1139.1-173.40000117.2S439V437-S439 PolarHBondContact O-N 2.95Å
438T30.1Very low45.5Very low100 Ų100124.9 Ų124.961%0.61369%0.689SS**  trans-48.3108.1153.949.20000112T440 L449T438-T440 PolarHBondContact O-N 2.73Å; T438-L449 HydrophobicContact CG2-CD1 3.93Å; T438-L449 WeakPolarHBondContact OG1-CD1 3.36Å
439S43.1Very low47.9Very low117 Ų117120.9 Ų120.982%0.81867%0.667SS**  trans-77.687.1175.647.10000111.5V437V437-S439 PolarHBondContact O-N 2.95Å
440T46Very low50.2Low40 Ų40120.6 Ų120.625%0.24567%0.665CS.*  trans-61.5146.5160.945.50000109.7T438 N442 L452T438-T440 PolarHBondContact O-N 2.73Å; T440-N442 PolarHBondContact O-N 3.06Å; T440-L452 HydrophobicContact CG2-CD1 4.15Å
441P51.8Low52.5Low85 Ų85115.8 Ų115.855%0.55265%0.648SS**  trans-60.1142.9177.226.5-35000109.8N443 L444P441-N443 PolarHBondContact O-N 3.18Å; P441-L444 HydrophobicContact CG-CD1 3.8Å; P441-L444 HydrophobicContact CG-CG 4.23Å; P441-L444 PolarHBondContact O-N 3.45Å
442N56.3Low55Low133 Ų133108.9 Ų108.971%0.71162%0.616SS**G310 helixtrans-56-18.1-165-73.4-29.1000115.8T440 L444T440-N442 PolarHBondContact O-N 3.06Å; N442-L444 VanDerWaalsContact C-N 3.27Å; N442-L444 PolarHBondContact O-N 3.09Å
443N60.5Low57.6Low160 Ų160107.4 Ų107.486%0.85660%0.6SS**G310 helixtrans-80.83.8174.6-62.63.8000114.2P441P441-N443 PolarHBondContact O-N 3.18Å
444L57.9Low60.4Low50 Ų50105.5 Ų105.526%0.26259%0.592SS.*G310 helixtrans-123.217.6-178.9-61.8179000113.9P441 N442 G446 I447 L452P441-L444 HydrophobicContact CG-CD1 3.8Å; P441-L444 HydrophobicContact CG-CG 4.23Å; P441-L444 PolarHBondContact O-N 3.45Å; N442-L444 VanDerWaalsContact C-N 3.27Å; N442-L444 PolarHBondContact O-N 3.09Å; L444-G446 PolarHBondContact O-N 2.84Å; L444-G446 VanDerWaalsContact O-N 3.14Å; L444-I447 HydrophobicContact CD2-CD1 4.01Å; L444-I447 PolarHBondContact O-N 3.43Å; L444-L452 HydrophobicContact CD1-CD1 4.13Å; L444-L452 HydrophobicContact CD1-CD2 4Å; L444-L452 HydrophobicContact CD2-CD2 4.47Å
445K53.8Low63Low177 Ų177102.4 Ų102.477%0.7758%0.578SS**THydrogen-bonded Turntrans-62.9113.9170.7-84.4-173.9172.9-178.40110
446G67.8Low65.7Low86 Ų8699.2 Ų99.289%0.88756%0.557SS**THydrogen-bonded Turntrans118-11178.400000115.4L444L444-G446 PolarHBondContact O-N 2.84Å; L444-G446 VanDerWaalsContact O-N 3.14Å
447I71.9Confident68.3Low80 Ų8093.3 Ų93.341%0.4154%0.536SS..SBendtrans-101.5130.6178.4-57.6173.6000109.7L444 L451 L452L444-I447 HydrophobicContact CD2-CD1 4.01Å; L444-I447 PolarHBondContact O-N 3.43Å; I447-L451 HydrophobicContact CG2-CB 4.4Å; I447-L451 HydrophobicContact CG2-CD2 4.14Å; I447-L452 HydrophobicContact CG2-CD2 3.94Å; I447-L452 HydrophobicContact CG2-CG 3.9Å
448S81.5Confident70.6Confident60 Ų6096.5 Ų96.542%0.4254%0.535SS..  trans-67.6142.5-177.668.50000112.8S450 L451 L452S448-S450 PolarHBondContact O-N 3.47Å; S448-S450 PolarHBondContact OG-OG 3.12Å; S448-L451 PolarHBondContact O-N 3Å; S448-L451 WeakPolarHBondContact OG-CB 3.05Å; S448-L451 PolarHBondContact OG-N 2.9Å; S448-L452 PolarHBondContact O-N 3.09Å
449L83.2Confident73.2Confident72 Ų7296.8 Ų96.838%0.37753%0.529SS..Hα-helixtrans-57.7-33.9175.5-100.4158.8000112.7T438 L452 N453T438-L449 HydrophobicContact CG2-CD1 3.93Å; T438-L449 WeakPolarHBondContact OG1-CD1 3.36Å; L449-L452 PolarHBondContact O-N 3.48Å; L449-N453 WeakPolarHBondContact O-CB 3.33Å; L449-N453 VanDerWaalsContact O-CG 3.28Å; L449-N453 PolarHBondContact O-N 3.46Å; L449-N453 PolarHBondContact O-ND2 3.3Å
450S84Confident75.2Confident89 Ų8996 Ų9662%0.62252%0.516SS*.Hα-helixtrans-65.2-39.3174.453.90000112.5S448 K454S448-S450 PolarHBondContact O-N 3.47Å; S448-S450 PolarHBondContact OG-OG 3.12Å; S450-K454 WeakPolarHBondContact O-CB 3.29Å; S450-K454 PolarHBondContact O-N 3.03Å
451L83.6Confident76.9Confident93 Ų9399.7 Ų99.749%0.48753%0.531SS..Hα-helixtrans-70-43.8175.1-171.963.2000111.3I447 S448 N453 K454 V455I447-L451 HydrophobicContact CG2-CB 4.4Å; I447-L451 HydrophobicContact CG2-CD2 4.14Å; S448-L451 PolarHBondContact O-N 3Å; S448-L451 WeakPolarHBondContact OG-CB 3.05Å; S448-L451 PolarHBondContact OG-N 2.9Å; L451-N453 VanDerWaalsContact C-N 3.34Å; L451-N453 PolarHBondContact O-N 2.79Å; L451-K454 PolarHBondContact O-N 2.86Å; L451-K454 VanDerWaalsContact O-N 3.14Å; L451-V455 WeakPolarHBondContact O-CG2 3.4Å; L451-V455 PolarHBondContact O-N 2.55Å
452L84.9Confident78.1Confident23 Ų23104 Ų10412%0.1254%0.536CS..Hα-helixtrans-58.5-44176.7-69.4172.7000112.1T440 L444 I447 S448 L449 V455 R456T440-L452 HydrophobicContact CG2-CD1 4.15Å; L444-L452 HydrophobicContact CD1-CD1 4.13Å; L444-L452 HydrophobicContact CD1-CD2 4Å; L444-L452 HydrophobicContact CD2-CD2 4.47Å; I447-L452 HydrophobicContact CG2-CD2 3.94Å; I447-L452 HydrophobicContact CG2-CG 3.9Å; S448-L452 PolarHBondContact O-N 3.09Å; L449-L452 PolarHBondContact O-N 3.48Å; L452-V455 PolarHBondContact O-N 2.7Å; L452-R456 WeakPolarHBondContact O-CG 3.33Å; L452-R456 PolarHBondContact O-N 2.93Å
453N86.6Confident79.1Confident82 Ų82104.7 Ų104.744%0.43953%0.528SS..Hα-helixtrans-66.2-38.5176.1-71.5-14.5000111.9L449 L451 R456 A457L449-N453 WeakPolarHBondContact O-CB 3.33Å; L449-N453 VanDerWaalsContact O-CG 3.28Å; L449-N453 PolarHBondContact O-N 3.46Å; L449-N453 PolarHBondContact O-ND2 3.3Å; L451-N453 VanDerWaalsContact C-N 3.34Å; L451-N453 PolarHBondContact O-N 2.79Å; N453-R456 PolarHBondContact O-N 3.1Å; N453-R456 PolarHBondContact OD1-NH1 2.93Å; N453-A457 WeakPolarHBondContact O-CB 3.39Å; N453-A457 PolarHBondContact O-N 3.47Å
454K91Very high79.8Confident153 Ų153101.6 Ų101.667%0.66551%0.512SS*.Hα-helixtrans-68.9-33.5177.4-163.8168.7-170.9171.10113.1S450 L451 R458S450-K454 WeakPolarHBondContact O-CB 3.29Å; S450-K454 PolarHBondContact O-N 3.03Å; L451-K454 PolarHBondContact O-N 2.86Å; L451-K454 VanDerWaalsContact O-N 3.14Å; K454-R458 WeakPolarHBondContact O-CB 3.3Å; K454-R458 PolarHBondContact O-N 2.76Å; K454-R458 VanDerWaalsContact O-N 3.11Å
455V85.6Confident80.6Confident71 Ų71104.6 Ų104.643%0.4353%0.527SS..Hα-helixtrans-66.8-51.4171.9171.40000110.3L451 L452 A457 R458 E459L451-V455 WeakPolarHBondContact O-CG2 3.4Å; L451-V455 PolarHBondContact O-N 2.55Å; L452-V455 PolarHBondContact O-N 2.7Å; V455-A457 VanDerWaalsContact C-N 3.29Å; V455-A457 PolarHBondContact O-N 3.18Å; V455-R458 PolarHBondContact O-N 3.12Å; V455-R458 VanDerWaalsContact O-N 3.13Å; V455-E459 HydrophobicContact CG1-CG 4.32Å; V455-E459 WeakPolarHBondContact O-CG 3.49Å; V455-E459 PolarHBondContact O-N 2.93Å
456R88.1Confident81.3Confident127 Ų12798.8 Ų98.848%0.47951%0.506SS..Hα-helixtrans-57.9-40.3177-67.9-179.8-156.2137.52.5112.6L452 N453 E459 N460L452-R456 WeakPolarHBondContact O-CG 3.33Å; L452-R456 PolarHBondContact O-N 2.93Å; N453-R456 PolarHBondContact O-N 3.1Å; N453-R456 PolarHBondContact OD1-NH1 2.93Å; R456-E459 PolarHBondContact O-N 3.31Å; R456-N460 WeakPolarHBondContact O-CB 3.49Å; R456-N460 PolarHBondContact O-N 2.67Å
457A87Confident81.1Confident47 Ų47100.8 Ų100.839%0.38849%0.493SS..Hα-helixtrans-59.6-50.917500000111.1N453 V455 E459 N460 E461N453-A457 WeakPolarHBondContact O-CB 3.39Å; N453-A457 PolarHBondContact O-N 3.47Å; V455-A457 VanDerWaalsContact C-N 3.29Å; V455-A457 PolarHBondContact O-N 3.18Å; A457-E459 VanDerWaalsContact C-N 3.35Å; A457-E459 PolarHBondContact O-N 3.09Å; A457-N460 PolarHBondContact O-N 2.78Å; A457-E461 WeakPolarHBondContact O-CB 3.43Å; A457-E461 WeakPolarHBondContact O-CG 3.35Å; A457-E461 PolarHBondContact O-N 3.03Å
458R88.2Confident80.9Confident182 Ų182103.3 Ų103.369%0.68751%0.507SS*.Hα-helixtrans-64-34.5177.4177.4172.3-77.7-172-7113.4K454 V455 R462K454-R458 WeakPolarHBondContact O-CB 3.3Å; K454-R458 PolarHBondContact O-N 2.76Å; K454-R458 VanDerWaalsContact O-N 3.11Å; V455-R458 PolarHBondContact O-N 3.12Å; V455-R458 VanDerWaalsContact O-N 3.13Å; R458-R462 VanDerWaalsContact O-CB 3.29Å; R458-R462 WeakPolarHBondContact O-CB 3.49Å; R458-R462 PolarHBondContact O-N 2.74Å
459E85.3Confident80.1Confident105 Ų105106 Ų10649%0.49152%0.521SS..Hα-helixtrans-68.2-40.1174.1-73.6-172.7138.500112V455 R456 A457 R462 R463V455-E459 HydrophobicContact CG1-CG 4.32Å; V455-E459 WeakPolarHBondContact O-CG 3.49Å; V455-E459 PolarHBondContact O-N 2.93Å; R456-E459 PolarHBondContact O-N 3.31Å; A457-E459 VanDerWaalsContact C-N 3.35Å; A457-E459 PolarHBondContact O-N 3.09Å; E459-R462 PolarHBondContact O-N 3.47Å; E459-R463 WeakPolarHBondContact O-CB 3.47Å; E459-R463 PolarHBondContact O-N 3.02Å
460N83.5Confident78.8Confident102 Ų102109.6 Ų109.655%0.54553%0.53SS..Hα-helixtrans-68.3-42.7174.2-76.3-4.4000111.7R456 A457 R462 R463 L464R456-N460 WeakPolarHBondContact O-CB 3.49Å; R456-N460 PolarHBondContact O-N 2.67Å; A457-N460 PolarHBondContact O-N 2.78Å; N460-R462 VanDerWaalsContact C-N 3.35Å; N460-R462 PolarHBondContact O-N 3.41Å; N460-R463 PolarHBondContact O-N 3.19Å; N460-L464 VanDerWaalsContact O-CB 3.25Å; N460-L464 WeakPolarHBondContact O-CB 3.47Å; N460-L464 PolarHBondContact O-N 3.19Å
461E82.6Confident77.6Confident117 Ų117108 Ų10855%0.54753%0.527SS..Hα-helixtrans-57.9-45.5171.5-74169.2175.900111.2A457 L464 L465A457-E461 WeakPolarHBondContact O-CB 3.43Å; A457-E461 WeakPolarHBondContact O-CG 3.35Å; A457-E461 PolarHBondContact O-N 3.03Å; E461-L464 PolarHBondContact O-N 2.91Å; E461-L465 WeakPolarHBondContact O-CB 3.49Å; E461-L465 VanDerWaalsContact O-CG 3.27Å; E461-L465 WeakPolarHBondContact O-CG 3.39Å; E461-L465 PolarHBondContact O-N 2.85Å
462R77.8Confident76.9Confident175 Ų175113.5 Ų113.566%0.6655%0.547SS*.Hα-helixtrans-66.1-42177.5-175.7178.3175.7-175.8-1.1112.1R458 E459 N460 T466R458-R462 VanDerWaalsContact O-CB 3.29Å; R458-R462 WeakPolarHBondContact O-CB 3.49Å; R458-R462 PolarHBondContact O-N 2.74Å; E459-R462 PolarHBondContact O-N 3.47Å; N460-R462 VanDerWaalsContact C-N 3.35Å; N460-R462 PolarHBondContact O-N 3.41Å; R462-T466 WeakPolarHBondContact O-CB 3.36Å; R462-T466 PolarHBondContact O-N 3.22Å; R462-T466 PolarHBondContact O-OG1 3.39Å
463R76Confident76.5Confident147 Ų147113.3 Ų113.356%0.55555%0.547SS*.Hα-helixtrans-59.5-53173.1-85.8-165.5174.798.82.4110.6E459 N460 L465 T466 E467E459-R463 WeakPolarHBondContact O-CB 3.47Å; E459-R463 PolarHBondContact O-N 3.02Å; N460-R463 PolarHBondContact O-N 3.19Å; R463-L465 VanDerWaalsContact C-N 3.34Å; R463-L465 PolarHBondContact O-N 3.24Å; R463-T466 CarbonylContact O-C 3.59Å; R463-T466 WeakPolarHBondContact O-CA 3.39Å; R463-T466 PolarHBondContact O-N 3.14Å; R463-E467 WeakPolarHBondContact O-CG 3.47Å; R463-E467 PolarHBondContact O-N 3.03Å
464L76.3Confident76.1Confident96 Ų96112.9 Ų112.950%0.50355%0.55SS.*Hα-helixtrans-59.2-42.7-179.9-178.162.8000111.7N460 E461 T466 E467 L468N460-L464 VanDerWaalsContact O-CB 3.25Å; N460-L464 WeakPolarHBondContact O-CB 3.47Å; N460-L464 PolarHBondContact O-N 3.19Å; E461-L464 PolarHBondContact O-N 2.91Å; L464-T466 VanDerWaalsContact C-N 3.33Å; L464-T466 PolarHBondContact O-N 2.85Å; L464-E467 PolarHBondContact O-N 3.33Å; L464-L468 HydrophobicContact CD1-CD1 4.04Å; L464-L468 HydrophobicContact CD1-CG 4.12Å; L464-L468 HydrophobicContact CG-CD1 3.86Å; L464-L468 HydrophobicContact CG-CG 4.36Å; L464-L468 VanDerWaalsContact O-CB 3.28Å; L464-L468 WeakPolarHBondContact O-CB 3.36Å; L464-L468 WeakPolarHBondContact O-CG 3.44Å; L464-L468 PolarHBondContact O-N 2.86Å
465L73.3Confident75.5Confident112 Ų112112.8 Ų112.859%0.58655%0.552SS**Hα-helixtrans-63.6-37.5174.3-75.8170.6000112.3E461 R463 T469E461-L465 WeakPolarHBondContact O-CB 3.49Å; E461-L465 VanDerWaalsContact O-CG 3.27Å; E461-L465 WeakPolarHBondContact O-CG 3.39Å; E461-L465 PolarHBondContact O-N 2.85Å; R463-L465 VanDerWaalsContact C-N 3.34Å; R463-L465 PolarHBondContact O-N 3.24Å; L465-T469 VanDerWaalsContact O-CB 3.28Å; L465-T469 WeakPolarHBondContact O-CB 3.24Å; L465-T469 PolarHBondContact O-N 2.91Å; L465-T469 VanDerWaalsContact O-N 3.07Å; L465-T469 PolarHBondContact O-OG1 2.98Å
466T68.3Low75.4Confident55 Ų55112.9 Ų112.934%0.33756%0.561SS.*Hα-helixtrans-71.6-41.9177.3-44.20000110.5R462 R463 L464 T469 Y470R462-T466 WeakPolarHBondContact O-CB 3.36Å; R462-T466 PolarHBondContact O-N 3.22Å; R462-T466 PolarHBondContact O-OG1 3.39Å; R463-T466 CarbonylContact O-C 3.59Å; R463-T466 WeakPolarHBondContact O-CA 3.39Å; R463-T466 PolarHBondContact O-N 3.14Å; L464-T466 VanDerWaalsContact C-N 3.33Å; L464-T466 PolarHBondContact O-N 2.85Å; T466-T469 CarbonylContact O-C 3.48Å; T466-T469 PolarHBondContact O-N 3.29Å; T466-T469 VanDerWaalsContact O-N 3.12Å; T466-Y470 HydrophobicContact CG2-CD2 4.05Å; T466-Y470 HydrophobicContact CG2-CE1 4.46Å; T466-Y470 HydrophobicContact CG2-CE2 3.5Å; T466-Y470 VanDerWaalsContact O-CD2 3.26Å; T466-Y470 WeakPolarHBondContact O-CD2 3.49Å; T466-Y470 PolarHBondContact O-N 3.02Å
467E64.1Low75.4Confident128 Ų128109.8 Ų109.860%0.59855%0.549SS*.Hα-helixtrans-63.5-39.2174.5-73176.9163.600113R463 L464 T469R463-E467 WeakPolarHBondContact O-CG 3.47Å; R463-E467 PolarHBondContact O-N 3.03Å; L464-E467 PolarHBondContact O-N 3.33Å; E467-T469 VanDerWaalsContact C-N 3.27Å; E467-T469 PolarHBondContact O-N 2.87Å
468L68.5Low75.3Confident134 Ų134114.4 Ų114.470%0.70256%0.556SS**Hα-helixtrans-72.2-18.3173.2-69.6171.7000113.3L464L464-L468 HydrophobicContact CD1-CD1 4.04Å; L464-L468 HydrophobicContact CD1-CG 4.12Å; L464-L468 HydrophobicContact CG-CD1 3.86Å; L464-L468 HydrophobicContact CG-CG 4.36Å; L464-L468 VanDerWaalsContact O-CB 3.28Å; L464-L468 WeakPolarHBondContact O-CB 3.36Å; L464-L468 WeakPolarHBondContact O-CG 3.44Å; L464-L468 PolarHBondContact O-N 2.86Å
469T64.3Low75.3Confident117 Ų117107.4 Ų107.472%0.71854%0.538SS*.Hα-helixtrans-99-17.5177.1-50.80000112.4L465 T466 E467 G471L465-T469 VanDerWaalsContact O-CB 3.28Å; L465-T469 WeakPolarHBondContact O-CB 3.24Å; L465-T469 PolarHBondContact O-N 2.91Å; L465-T469 VanDerWaalsContact O-N 3.07Å; L465-T469 PolarHBondContact O-OG1 2.98Å; T466-T469 CarbonylContact O-C 3.48Å; T466-T469 PolarHBondContact O-N 3.29Å; T466-T469 VanDerWaalsContact O-N 3.12Å; E467-T469 VanDerWaalsContact C-N 3.27Å; E467-T469 PolarHBondContact O-N 2.87Å; T469-G471 PolarHBondContact O-N 3.15Å; T469-G471 VanDerWaalsContact O-N 3.09Å
470Y55.9Low75.5Confident147 Ų147103.3 Ų103.358%0.57652%0.519SS*.  trans-66.9108.4172.6-83.6-50.3000110.1T466T466-Y470 HydrophobicContact CG2-CD2 4.05Å; T466-Y470 HydrophobicContact CG2-CE1 4.46Å; T466-Y470 HydrophobicContact CG2-CE2 3.5Å; T466-Y470 VanDerWaalsContact O-CD2 3.26Å; T466-Y470 WeakPolarHBondContact O-CD2 3.49Å; T466-Y470 PolarHBondContact O-N 3.02Å
471G59.9Low75.9Confident54 Ų5498.4 Ų98.456%0.55749%0.493SS*.  trans-58.3160.7158.900000110.6T469 V473T469-G471 PolarHBondContact O-N 3.15Å; T469-G471 VanDerWaalsContact O-N 3.09Å; G471-V473 PolarHBondContact O-N 2.88Å
472K68.8Low76.2Confident210 Ų21096.7 Ų96.791%0.91349%0.493SS*.SBendtrans-61-9.3-177-62.6179.8-179.1176.60114.6
473V74.9Confident76.8Confident18 Ų1892.5 Ų92.511%0.10948%0.477CS..SBendtrans-108.1127.5-179.8-174.50000109G471 R477 R478 Y481 D573 V575G471-V473 PolarHBondContact O-N 2.88Å; V473-R477 HydrophobicContact CG1-CB 3.71Å; V473-R477 HydrophobicContact CG1-CG 3.73Å; V473-R478 HydrophobicContact CG1-CB 4.37Å; V473-Y481 HydrophobicContact CG1-CD2 4.2Å; V473-Y481 HydrophobicContact CG1-CE2 3.87Å; V473-Y481 HydrophobicContact CG2-CE2 4.02Å; V473-D573 HydrophobicContact CG2-CB 3.55Å; V473-V575 HydrophobicContact CB-CG2 4.11Å; V473-V575 HydrophobicContact CG2-CG2 4.01Å
474S78.6Confident77.5Confident73 Ų7385.5 Ų85.551%0.5145%0.45SS..  trans-60.5150.1174.763.30000111.9A476 R477 R478S474-A476 VanDerWaalsContact C-N 3.27Å; S474-A476 PolarHBondContact O-N 3.42Å; S474-R477 PolarHBondContact O-N 3.31Å; S474-R478 PolarHBondContact O-N 3.2Å
475E79.2Confident78.2Confident151 Ų15182.2 Ų82.271%0.70644%0.435SS*.Hα-helixtrans-56.4-40.4-176.3-173.2173-175.200112.8R477 R478 A479E475-R477 PolarHBondContact O-N 3.04Å; E475-R478 WeakPolarHBondContact O-CB 3.5Å; E475-R478 PolarHBondContact O-N 3.07Å; E475-A479 PolarHBondContact O-N 2.88Å
476A83.4Confident79.1Confident73 Ų7379.7 Ų79.760%0.60342%0.422SS*.Hα-helixtrans-58.9-45.2173.900000112.6S474 A479 I480S474-A476 VanDerWaalsContact C-N 3.27Å; S474-A476 PolarHBondContact O-N 3.42Å; A476-A479 WeakPolarHBondContact O-CB 3.36Å; A476-A479 PolarHBondContact O-N 3.45Å; A476-I480 PolarHBondContact O-N 2.89Å
477R86.8Confident80.3Confident63 Ų6377 Ų7724%0.23841%0.405CS..Hα-helixtrans-71.8-32.4178.3-174.9168.7170128.9-7.6112.1V473 S474 E475 A479 I480 Y481 E534V473-R477 HydrophobicContact CG1-CB 3.71Å; V473-R477 HydrophobicContact CG1-CG 3.73Å; S474-R477 PolarHBondContact O-N 3.31Å; E475-R477 PolarHBondContact O-N 3.04Å; R477-A479 VanDerWaalsContact C-N 3.34Å; R477-I480 WeakPolarHBondContact O-CB 3.36Å; R477-I480 PolarHBondContact O-N 3.43Å; R477-Y481 HydrophobicContact CG-CD1 4.19Å; R477-Y481 HydrophobicContact CG-CE1 3.72Å; R477-Y481 PolarHBondContact NE-OH 3.04Å; R477-Y481 PolarHBondContact NH2-OH 3.47Å; R477-Y481 WeakPolarHBondContact O-CD1 3.27Å; R477-Y481 VanDerWaalsContact O-CG 3.28Å; R477-Y481 PolarHBondContact O-N 3.16Å; R477-E534 IonicContact CZ-OE1 3.96Å; R477-E534 IonicContact CZ-OE2 3.97Å; R477-E534 IonicContact NH1-OE1 2.83Å; R477-E534 PolarHBondContact NH1-OE1 2.93Å; R477-E534 IonicContact NH1-OE2 2.73Å; R477-E534 PolarHBondContact NH1-OE2 3.06Å; R477-E534 VanDerWaalsContact NH2-CD 3.27Å; R477-E534 IonicContact NH2-OE1 3.78Å; R477-E534 PolarHBondContact NH2-OE1 3.43Å; R477-E534 IonicContact NH2-OE2 3.31Å; R477-E534 PolarHBondContact NH2-OE2 2.92Å
478R85.8Confident81.7Confident143 Ų14371 Ų7154%0.5438%0.377SS..Hα-helixtrans-62.4-40.3169.2-173.1176.5-177.6-178.51.2111.5V473 S474 E475 Y481 C482 V575V473-R478 HydrophobicContact CG1-CB 4.37Å; S474-R478 PolarHBondContact O-N 3.2Å; E475-R478 WeakPolarHBondContact O-CB 3.5Å; E475-R478 PolarHBondContact O-N 3.07Å; R478-Y481 WeakPolarHBondContact O-CB 3.19Å; R478-Y481 PolarHBondContact O-N 3.25Å; R478-C482 PolarHBondContact O-N 3.25Å; R478-C482 PolarHBondContact O-SG 2.87Å; R478-C482 VanDerWaalsContact O-SG 3.34Å; R478-V575 HydrophobicContact CG-CG1 3.89Å; R478-V575 HydrophobicContact CG-CG2 4.05Å
479A87.6Confident82.8Confident36 Ų3667 Ų6730%0.29836%0.359SS..Hα-helixtrans-66.6-35.617500000112.7E475 A476 R477 R483E475-A479 PolarHBondContact O-N 2.88Å; A476-A479 WeakPolarHBondContact O-CB 3.36Å; A476-A479 PolarHBondContact O-N 3.45Å; R477-A479 VanDerWaalsContact C-N 3.34Å; A479-R483 PolarHBondContact O-NH1 2.84Å
480I90.3Very high84.1Confident18 Ų1862.3 Ų62.39%0.09233%0.328CS..Hα-helixtrans-60.7-52169.7-69.6170.2000110.1A476 R477 C482 R483 L484 H528 V531A476-I480 PolarHBondContact O-N 2.89Å; R477-I480 WeakPolarHBondContact O-CB 3.36Å; R477-I480 PolarHBondContact O-N 3.43Å; I480-C482 VanDerWaalsContact C-N 3.3Å; I480-C482 PolarHBondContact O-N 3.12Å; I480-R483 PolarHBondContact O-N 3.5Å; I480-L484 HydrophobicContact CG2-CD2 4.12Å; I480-L484 HydrophobicContact CG2-CG 4.31Å; I480-L484 PolarHBondContact O-N 3.25Å; I480-H528 HydrophobicContact CG2-CB 4.31Å; I480-V531 HydrophobicContact CD1-CG2 4.32Å; I480-V531 HydrophobicContact CG2-CB 4Å; I480-V531 HydrophobicContact CG2-CG1 3.92Å; I480-V531 HydrophobicContact CG2-CG2 4.23Å
481Y91.1Very high85.8Confident0 Ų055.3 Ų55.30%030%0.301CS..Hα-helixtrans-52.8-43.8-177.9-73.1-2.5000112.8V473 R477 R478 R483 L484 V531 L535 V570 D573 V575V473-Y481 HydrophobicContact CG1-CD2 4.2Å; V473-Y481 HydrophobicContact CG1-CE2 3.87Å; V473-Y481 HydrophobicContact CG2-CE2 4.02Å; R477-Y481 HydrophobicContact CG-CD1 4.19Å; R477-Y481 HydrophobicContact CG-CE1 3.72Å; R477-Y481 PolarHBondContact NE-OH 3.04Å; R477-Y481 PolarHBondContact NH2-OH 3.47Å; R477-Y481 WeakPolarHBondContact O-CD1 3.27Å; R477-Y481 VanDerWaalsContact O-CG 3.28Å; R477-Y481 PolarHBondContact O-N 3.16Å; R478-Y481 WeakPolarHBondContact O-CB 3.19Å; R478-Y481 PolarHBondContact O-N 3.25Å; Y481-R483 PolarHBondContact O-N 3.26Å; Y481-L484 HydrophobicContact CD1-CD1 3.98Å; Y481-L484 PolarHBondContact O-N 3.17Å; Y481-V531 HydrophobicContact CD1-CG1 4.04Å; Y481-V531 HydrophobicContact CE1-CG1 3.65Å; Y481-L535 HydrophobicContact CD1-CD1 4.2Å; Y481-L535 HydrophobicContact CE1-CD1 3.79Å; Y481-V570 HydrophobicContact CD1-CG2 4.17Å; Y481-V570 HydrophobicContact CD2-CB 4.19Å; Y481-V570 HydrophobicContact CD2-CG1 3.41Å; Y481-V570 VanDerWaalsContact CD2-CG1 3.41Å; Y481-V570 HydrophobicContact CD2-CG2 3.85Å; Y481-V570 HydrophobicContact CE1-CG2 4.35Å; Y481-V570 HydrophobicContact CE2-CB 4.39Å; Y481-V570 HydrophobicContact CE2-CG1 3.97Å; Y481-V570 HydrophobicContact CE2-CG2 3.99Å; Y481-V570 HydrophobicContact CG-CG1 3.94Å; Y481-V570 HydrophobicContact CG-CG2 3.89Å; Y481-D573 HydrophobicContact CE2-CB 4.28Å; Y481-D573 WeakPolarHBondContact CE2-OD2 3.34Å; Y481-D573 PolarHBondContact OH-OD2 2.87Å; Y481-V575 HydrophobicContact CD2-CB 4.19Å; Y481-V575 HydrophobicContact CD2-CG1 4.24Å; Y481-V575 HydrophobicContact CD2-CG2 4.3Å
482C88.4Confident87.3Confident81 Ų8156.4 Ų56.455%0.54729%0.288SS..Hα-helixtrans-61.6-22.6177.3-64.40000114.4R478 I480R478-C482 PolarHBondContact O-N 3.25Å; R478-C482 PolarHBondContact O-SG 2.87Å; R478-C482 VanDerWaalsContact O-SG 3.34Å; I480-C482 VanDerWaalsContact C-N 3.3Å; I480-C482 PolarHBondContact O-N 3.12Å
483R90.7Very high88.3Confident86 Ų8649.9 Ų49.933%0.32527%0.269SS..Hα-helixtrans-96.6-18.6180-57.6-171.7-16396.31.9113.6A479 I480 Y481 P485 L486 I487 H528A479-R483 PolarHBondContact O-NH1 2.84Å; I480-R483 PolarHBondContact O-N 3.5Å; Y481-R483 PolarHBondContact O-N 3.26Å; R483-P485 VanDerWaalsContact C-CD 3.49Å; R483-L486 PolarHBondContact O-N 2.96Å; R483-L486 VanDerWaalsContact O-N 3.13Å; R483-I487 HydrophobicContact CB-CD1 4.17Å; R483-I487 PolarHBondContact O-N 3.27Å; R483-H528 PolarHBondContact NH1-NE2 3.09Å
484L91.7Very high89Confident0 Ų049.9 Ų49.90%027%0.268CS..Hα-helixtrans-52.9-44-177.5-68.2179.7000114.1I480 Y481 L486 I487 V488 H528 V531 L532 L535 I566I480-L484 HydrophobicContact CG2-CD2 4.12Å; I480-L484 HydrophobicContact CG2-CG 4.31Å; I480-L484 PolarHBondContact O-N 3.25Å; Y481-L484 HydrophobicContact CD1-CD1 3.98Å; Y481-L484 PolarHBondContact O-N 3.17Å; L484-L486 PolarHBondContact O-N 3.49Å; L484-I487 PolarHBondContact O-N 2.69Å; L484-I487 VanDerWaalsContact O-N 3.15Å; L484-V488 WeakPolarHBondContact O-CB 3.44Å; L484-V488 VanDerWaalsContact O-CG2 3.23Å; L484-V488 WeakPolarHBondContact O-CG2 3.47Å; L484-V488 PolarHBondContact O-N 3.03Å; L484-H528 HydrophobicContact CD2-CB 4.44Å; L484-H528 WeakPolarHBondContact CD2-O 3.39Å; L484-V531 HydrophobicContact CD1-CG1 4.25Å; L484-L532 HydrophobicContact CD2-CB 4.13Å; L484-L535 HydrophobicContact CD1-CD1 3.4Å; L484-L535 VanDerWaalsContact CD1-CD1 3.4Å; L484-I566 HydrophobicContact CB-CG2 4.23Å; L484-I566 HydrophobicContact CD1-CG2 4.06Å
485P91.1Very high89.5Confident27 Ų2746.4 Ų46.418%0.17524%0.244CC..Hα-helixtrans-58.5-32.3-179.5-26.736.4000113.8R483 I563 I577R483-P485 VanDerWaalsContact C-CD 3.49Å; P485-I563 HydrophobicContact CB-CG2 4.14Å; P485-I577 HydrophobicContact CG-CD1 4.31Å
486L91.9Very high89.8Confident59 Ų5943.8 Ų43.831%0.30923%0.228SC..Hα-helixtrans-77.9-44.2176.2-176.560.3000111.4R483 L484 V488 T489 Q490 P517R483-L486 PolarHBondContact O-N 2.96Å; R483-L486 VanDerWaalsContact O-N 3.13Å; L484-L486 PolarHBondContact O-N 3.49Å; L486-V488 VanDerWaalsContact C-N 3.28Å; L486-V488 PolarHBondContact O-N 3.18Å; L486-T489 PolarHBondContact O-N 3.5Å; L486-T489 PolarHBondContact O-OG1 3.04Å; L486-Q490 PolarHBondContact O-N 3.3Å; L486-P517 HydrophobicContact CD2-CG 3.69Å
487I92.9Very high89.8Confident0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-60.7-38.7178.9-66.3173.7000110.8R483 L484 T489 Q490 V491 V512 I525 H528 L529 L532R483-I487 HydrophobicContact CB-CD1 4.17Å; R483-I487 PolarHBondContact O-N 3.27Å; L484-I487 PolarHBondContact O-N 2.69Å; L484-I487 VanDerWaalsContact O-N 3.15Å; I487-T489 VanDerWaalsContact C-N 3.32Å; I487-T489 PolarHBondContact O-N 2.94Å; I487-Q490 PolarHBondContact O-N 3.06Å; I487-Q490 VanDerWaalsContact O-N 3.12Å; I487-V491 HydrophobicContact CG2-CG2 3.89Å; I487-V491 WeakPolarHBondContact O-CB 3.32Å; I487-V491 VanDerWaalsContact O-CG2 3.26Å; I487-V491 WeakPolarHBondContact O-CG2 3.4Å; I487-V491 PolarHBondContact O-N 3.01Å; I487-V512 HydrophobicContact CG2-CG1 4.34Å; I487-I525 HydrophobicContact CD1-CD1 4.06Å; I487-H528 HydrophobicContact CD1-CB 3.54Å; I487-H528 WeakPolarHBondContact CD1-CD2 3.46Å; I487-L529 HydrophobicContact CG2-CD2 4.21Å; I487-L532 HydrophobicContact CG2-CD2 4.44Å
488V92.9Very high89.4Confident0 Ų041.4 Ų41.40%022%0.216CC..Hα-helixtrans-52.7-46.4171.71660000111.9L484 L486 Q490 W492 L532 W539 V559 V562 I563 I566L484-V488 WeakPolarHBondContact O-CB 3.44Å; L484-V488 VanDerWaalsContact O-CG2 3.23Å; L484-V488 WeakPolarHBondContact O-CG2 3.47Å; L484-V488 PolarHBondContact O-N 3.03Å; L486-V488 VanDerWaalsContact C-N 3.28Å; L486-V488 PolarHBondContact O-N 3.18Å; V488-Q490 VanDerWaalsContact C-N 3.34Å; V488-Q490 PolarHBondContact O-N 3.04Å; V488-W492 VanDerWaalsContact O-CB 3.31Å; V488-W492 WeakPolarHBondContact O-CB 3.26Å; V488-W492 PolarHBondContact O-N 2.93Å; V488-L532 HydrophobicContact CG2-CD1 3.67Å; V488-L532 HydrophobicContact CG2-CD2 4.34Å; V488-W539 HydrophobicContact CB-CH2 4.34Å; V488-W539 HydrophobicContact CB-CZ3 4.37Å; V488-W539 HydrophobicContact CG1-CH2 3.78Å; V488-W539 HydrophobicContact CG1-CZ2 4.5Å; V488-W539 HydrophobicContact CG1-CZ3 4.01Å; V488-W539 HydrophobicContact CG2-CZ3 4.08Å; V488-V559 HydrophobicContact CG1-CG1 3.88Å; V488-V562 HydrophobicContact CG1-CB 4.3Å; V488-V562 HydrophobicContact CG1-CG1 3.67Å; V488-V562 HydrophobicContact CG2-CG1 4.29Å; V488-I563 HydrophobicContact CB-CG1 4.2Å; V488-I563 HydrophobicContact CG1-CD1 4.35Å; V488-I563 HydrophobicContact CG1-CG1 3.73Å; V488-I566 HydrophobicContact CG2-CD1 3.43Å; V488-I566 VanDerWaalsContact CG2-CD1 3.43Å
489T92.5Very high89Confident51 Ų5140.6 Ų40.631%0.31322%0.223SC..Hα-helixtrans-66.5-3517969.10000112.9L486 I487 S493 V559 I563L486-T489 PolarHBondContact O-N 3.5Å; L486-T489 PolarHBondContact O-OG1 3.04Å; I487-T489 VanDerWaalsContact C-N 3.32Å; I487-T489 PolarHBondContact O-N 2.94Å; T489-S493 WeakPolarHBondContact O-CB 3.43Å; T489-S493 PolarHBondContact O-N 2.97Å; T489-S493 VanDerWaalsContact O-N 3.13Å; T489-V559 HydrophobicContact CG2-CG1 4.04Å; T489-I563 HydrophobicContact CG2-CD1 4.1Å
490Q91.8Very high88.3Confident18 Ų1840.1 Ų40.18%0.08422%0.218CC..Hα-helixtrans-72.1-48.1179.8-67.8163.9-3700110.9L486 I487 V488 W492 S493 I494 V512 S515 H516L486-Q490 PolarHBondContact O-N 3.3Å; I487-Q490 PolarHBondContact O-N 3.06Å; I487-Q490 VanDerWaalsContact O-N 3.12Å; V488-Q490 VanDerWaalsContact C-N 3.34Å; V488-Q490 PolarHBondContact O-N 3.04Å; Q490-W492 PolarHBondContact O-N 3.17Å; Q490-S493 WeakPolarHBondContact O-CB 3.3Å; Q490-S493 PolarHBondContact O-N 3.42Å; Q490-I494 WeakPolarHBondContact O-CD1 3.38Å; Q490-I494 WeakPolarHBondContact O-CG1 3.45Å; Q490-I494 PolarHBondContact O-N 3.36Å; Q490-V512 HydrophobicContact CB-CG1 4.32Å; Q490-V512 HydrophobicContact CB-CG2 4.29Å; Q490-S515 WeakPolarHBondContact CG-OG 3.32Å; Q490-S515 PolarHBondContact NE2-O 3Å; Q490-S515 PolarHBondContact NE2-OG 3.16Å; Q490-H516 PolarHBondContact NE2-ND1 3.12Å; Q490-H516 PolarHBondContact OE1-ND1 3.43Å
491V91.4Very high88Confident0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-61.8-42.2176.7174.90000111.3I487 I494 L495 V508 V512 L529 W539 I540 L550I487-V491 HydrophobicContact CG2-CG2 3.89Å; I487-V491 WeakPolarHBondContact O-CB 3.32Å; I487-V491 VanDerWaalsContact O-CG2 3.26Å; I487-V491 WeakPolarHBondContact O-CG2 3.4Å; I487-V491 PolarHBondContact O-N 3.01Å; V491-I494 PolarHBondContact O-N 2.55Å; V491-L495 HydrophobicContact CG1-CD1 3.66Å; V491-L495 HydrophobicContact CG1-CG 4.22Å; V491-L495 WeakPolarHBondContact O-CB 3.46Å; V491-L495 WeakPolarHBondContact O-CG 3.42Å; V491-L495 PolarHBondContact O-N 3.42Å; V491-V508 HydrophobicContact CG2-CG1 4.45Å; V491-V512 HydrophobicContact CG2-CG2 3.77Å; V491-L529 HydrophobicContact CG2-CD2 3.44Å; V491-L529 VanDerWaalsContact CG2-CD2 3.44Å; V491-W539 HydrophobicContact CG1-CH2 4.42Å; V491-I540 HydrophobicContact CG1-CD1 3.6Å; V491-L550 HydrophobicContact CG1-CD2 4.36Å
492W90.7Very high87.9Confident78 Ų7848.4 Ų48.430%0.29525%0.253SS..Hα-helixtrans-60.9-45.6174.7-176.785.2000112V488 Q490 I494 L495 R496 W539 V559V488-W492 VanDerWaalsContact O-CB 3.31Å; V488-W492 WeakPolarHBondContact O-CB 3.26Å; V488-W492 PolarHBondContact O-N 2.93Å; Q490-W492 PolarHBondContact O-N 3.17Å; W492-I494 VanDerWaalsContact C-N 3.35Å; W492-I494 PolarHBondContact O-N 2.98Å; W492-L495 PolarHBondContact O-N 3.48Å; W492-R496 VanDerWaalsContact CZ2-CD 3.42Å; W492-R496 VanDerWaalsContact O-CB 3.23Å; W492-R496 WeakPolarHBondContact O-CB 3.45Å; W492-R496 PolarHBondContact O-N 2.95Å; W492-W539 HydrophobicContact CB-CH2 4.31Å; W492-W539 HydrophobicContact CB-CZ2 3.92Å; W492-W539 HydrophobicContact CG-CZ2 4.39Å; W492-V559 HydrophobicContact CB-CG2 4.24Å; W492-V559 HydrophobicContact CD2-CG2 3.35Å; W492-V559 VanDerWaalsContact CE2-CG2 3.44Å; W492-V559 HydrophobicContact CE3-CG2 3.85Å; W492-V559 HydrophobicContact CG-CG2 3.54Å; W492-V559 HydrophobicContact CH2-CG2 4.41Å; W492-V559 HydrophobicContact CZ2-CG2 3.99Å; W492-V559 HydrophobicContact CZ3-CG2 4.35Å
493S90.2Very high88Confident72 Ų7246 Ų4650%0.50323%0.234SC..Hα-helixtrans-59.1-45.8177.3-171.20000111.7T489 Q490 S497T489-S493 WeakPolarHBondContact O-CB 3.43Å; T489-S493 PolarHBondContact O-N 2.97Å; T489-S493 VanDerWaalsContact O-N 3.13Å; Q490-S493 WeakPolarHBondContact O-CB 3.3Å; Q490-S493 PolarHBondContact O-N 3.42Å; S493-S497 PolarHBondContact O-N 2.99Å; S493-S497 VanDerWaalsContact O-N 3.15Å
494I90.1Very high88Confident18 Ų1843.5 Ų43.59%0.09223%0.229CC..Hα-helixtrans-68.7-46.1-179.4-67.5158.6000111.7Q490 V491 W492 S497 L503 R511 V512Q490-I494 WeakPolarHBondContact O-CD1 3.38Å; Q490-I494 WeakPolarHBondContact O-CG1 3.45Å; Q490-I494 PolarHBondContact O-N 3.36Å; V491-I494 PolarHBondContact O-N 2.55Å; W492-I494 VanDerWaalsContact C-N 3.35Å; W492-I494 PolarHBondContact O-N 2.98Å; I494-S497 PolarHBondContact O-N 3.21Å; I494-S497 PolarHBondContact O-OG 3.08Å; I494-L503 HydrophobicContact CG2-CD1 3.91Å; I494-R511 HydrophobicContact CD1-CB 3.62Å; I494-R511 HydrophobicContact CG1-CB 4.2Å; I494-V512 HydrophobicContact CD1-CB 4.36Å; I494-V512 HydrophobicContact CD1-CG2 3.51Å
495L88.5Confident88Confident1 Ų144.5 Ų44.51%0.00523%0.234CC..Hα-helixtrans-76.4-26.7-179.3-68.1178.1000113.7V491 W492 S497 S498 L503 V508 L550 L552V491-L495 HydrophobicContact CG1-CD1 3.66Å; V491-L495 HydrophobicContact CG1-CG 4.22Å; V491-L495 WeakPolarHBondContact O-CB 3.46Å; V491-L495 WeakPolarHBondContact O-CG 3.42Å; V491-L495 PolarHBondContact O-N 3.42Å; W492-L495 PolarHBondContact O-N 3.48Å; L495-S497 VanDerWaalsContact C-N 3.35Å; L495-S498 PolarHBondContact O-N 3.27Å; L495-S498 PolarHBondContact O-OG 2.98Å; L495-L503 HydrophobicContact CD2-CB 4.34Å; L495-L503 HydrophobicContact CD2-CD1 4.21Å; L495-L503 HydrophobicContact CD2-CG 4.31Å; L495-V508 HydrophobicContact CD2-CG2 4.18Å; L495-L550 HydrophobicContact CD1-CD2 4.17Å; L495-L550 HydrophobicContact CD1-CG 4.4Å; L495-L552 HydrophobicContact CD1-CB 4.5Å; L495-L552 HydrophobicContact CD1-CD1 3.97Å
496R85.8Confident88.1Confident95 Ų9546.6 Ų46.636%0.35825%0.25SC..Hα-helixtrans-70.7-34.6170.1-161.5169.5-170.391.7-1.8110.7W492 S498 N499 P555 E556W492-R496 VanDerWaalsContact CZ2-CD 3.42Å; W492-R496 VanDerWaalsContact O-CB 3.23Å; W492-R496 WeakPolarHBondContact O-CB 3.45Å; W492-R496 PolarHBondContact O-N 2.95Å; R496-S498 PolarHBondContact O-N 3.43Å; R496-N499 PolarHBondContact O-N 3.43Å; R496-P555 PolarHBondContact NH1-O 3.46Å; R496-E556 IonicContact CZ-OE2 2.7Å; R496-E556 IonicContact NH1-OE1 2.98Å; R496-E556 IonicContact NH1-OE2 3.47Å; R496-E556 IonicContact NH2-OE1 2.67Å; R496-E556 IonicContact NH2-OE2 2.78Å; R496-E556 PolarHBondContact NH2-OE2 2.85Å
497S83.5Confident88.1Confident77 Ų7746 Ų4654%0.53825%0.249SC..Hα-helixtrans-62.8-20.9174.4830000114.5S493 I494 L495S493-S497 PolarHBondContact O-N 2.99Å; S493-S497 VanDerWaalsContact O-N 3.15Å; I494-S497 PolarHBondContact O-N 3.21Å; I494-S497 PolarHBondContact O-OG 3.08Å; L495-S497 VanDerWaalsContact C-N 3.35Å
498S79Confident88.1Confident9 Ų946 Ų466%0.06325%0.249CC..THydrogen-bonded Turntrans-890.817571.40000114.1L495 R496 R501L495-S498 PolarHBondContact O-N 3.27Å; L495-S498 PolarHBondContact O-OG 2.98Å; R496-S498 PolarHBondContact O-N 3.43Å; S498-R501 WeakPolarHBondContact O-CB 3.48Å; S498-R501 PolarHBondContact O-N 2.93Å; S498-R501 PolarHBondContact O-NE 3.43Å; S498-R501 PolarHBondContact O-NH2 2.7Å; S498-R501 PolarHBondContact OG-O 3.47Å
499N76.9Confident88.2Confident127 Ų12746.2 Ų46.268%0.67925%0.25SS*.THydrogen-bonded Turntrans52.753.4-170.6-68.5-1000112.3R496 R501R496-N499 PolarHBondContact O-N 3.43Å; N499-R501 PolarHBondContact O-N 3.28Å
500A73.1Confident88.2Confident25 Ų2547 Ų4721%0.20726%0.255CS..THydrogen-bonded Turntrans57.99.6178.900000116.2R551 P555A500-R551 PolarHBondContact O-NE 2.94Å; A500-P555 HydrophobicContact CB-CB 4.35Å
501R84.1Confident88.3Confident161 Ų16151.8 Ų51.861%0.60827%0.272SS*.  trans-69.4134.3167.7-70.2175.5-70.6-153.4-2.2109.3S498 N499 L503S498-R501 WeakPolarHBondContact O-CB 3.48Å; S498-R501 PolarHBondContact O-N 2.93Å; S498-R501 PolarHBondContact O-NE 3.43Å; S498-R501 PolarHBondContact O-NH2 2.7Å; S498-R501 PolarHBondContact OG-O 3.47Å; N499-R501 PolarHBondContact O-N 3.28Å; R501-L503 PolarHBondContact O-N 2.95Å
502P87.9Confident88.4Confident32 Ų3251.8 Ų51.821%0.20827%0.272CS..  trans-56.1135.9175.7-23.633.2000111.8L543 W545 H549 L550 R551P502-L543 HydrophobicContact CB-CD1 4.03Å; P502-L543 HydrophobicContact CG-CD1 3.66Å; P502-W545 HydrophobicContact CB-CH2 4.05Å; P502-W545 HydrophobicContact CB-CZ3 4.08Å; P502-W545 HydrophobicContact CG-CH2 3.72Å; P502-W545 HydrophobicContact CG-CZ2 4.38Å; P502-W545 HydrophobicContact CG-CZ3 4.25Å; P502-H549 HydrophobicContact CB-CB 3.84Å; P502-L550 WeakPolarHBondContact CA-O 3.42Å; P502-R551 HydrophobicContact CB-CB 4.31Å; P502-R551 HydrophobicContact CG-CB 4.08Å; P502-R551 HydrophobicContact CG-CG 3.86Å
503L90.7Very high88.5Confident29 Ų2948.8 Ų48.815%0.15226%0.264CS..EExtended strand (participates in β ladder)trans-111147.2171.9-67.6-176.7000109.8I494 L495 R501 L505 V508 H549 L550I494-L503 HydrophobicContact CG2-CD1 3.91Å; L495-L503 HydrophobicContact CD2-CB 4.34Å; L495-L503 HydrophobicContact CD2-CD1 4.21Å; L495-L503 HydrophobicContact CD2-CG 4.31Å; R501-L503 PolarHBondContact O-N 2.95Å; L503-L505 PolarHBondContact O-N 3.18Å; L503-V508 HydrophobicContact CB-CG2 3.77Å; L503-V508 HydrophobicContact CD1-CG2 4.3Å; L503-H549 VanDerWaalsContact C-CD2 3.49Å; L503-H549 CarbonylContact O-C 3.47Å; L503-H549 VanDerWaalsContact O-CA 3.25Å; L503-H549 WeakPolarHBondContact O-CA 3.4Å; L503-L550 PolarHBondContact N-O 3.43Å; L503-L550 PolarHBondContact O-N 3.34Å
504P91.9Very high88.5Confident35 Ų3551.6 Ų51.623%0.22727%0.273CS..EExtended strand (participates in β ladder)trans-55.8138172.7-21.430.7000110.9S506 T507 V508 T547P504-S506 PolarHBondContact O-N 3.37Å; P504-T507 WeakPolarHBondContact O-CA 3.15Å; P504-T507 WeakPolarHBondContact O-CB 3.26Å; P504-T507 PolarHBondContact O-N 3.24Å; P504-V508 PolarHBondContact O-N 3.15Å; P504-T547 HydrophobicContact CB-CG2 4.26Å
505L91.7Very high88.5Confident20 Ų2053.4 Ų53.411%0.10529%0.287CS..Hα-helixtrans-57.2-38.7-178.9-179.761.1000111.3L503 T507 V508 S509 L529 I548 L550L503-L505 PolarHBondContact O-N 3.18Å; L505-T507 PolarHBondContact O-N 3.12Å; L505-V508 PolarHBondContact O-N 2.75Å; L505-S509 WeakPolarHBondContact O-CB 3.42Å; L505-S509 PolarHBondContact O-N 3.36Å; L505-S509 PolarHBondContact O-OG 2.67Å; L505-L529 HydrophobicContact CD1-CB 4.34Å; L505-L529 HydrophobicContact CD1-CD1 3.55Å; L505-I548 HydrophobicContact CB-CB 4.31Å; L505-I548 HydrophobicContact CB-CG2 4.09Å; L505-I548 WeakPolarHBondContact CB-O 3.39Å; L505-I548 HydrophobicContact CD2-CB 4.46Å; L505-I548 HydrophobicContact CD2-CG2 3.93Å; L505-I548 PolarHBondContact N-O 3.02Å; L505-L550 HydrophobicContact CD1-CD1 4.33Å; L505-L550 HydrophobicContact CD1-CD2 4.43Å
506S92.4Very high88.4Confident71 Ų7153.8 Ų53.850%0.49729%0.289SS..Hα-helixtrans-59.1-43.9172.951.10000112.9P504 V508 S509 V510P504-S506 PolarHBondContact O-N 3.37Å; S506-V508 VanDerWaalsContact C-N 3.33Å; S506-V508 PolarHBondContact O-N 2.77Å; S506-S509 PolarHBondContact O-N 3.15Å; S506-V510 WeakPolarHBondContact O-CB 3.35Å; S506-V510 WeakPolarHBondContact O-CG2 3.2Å; S506-V510 PolarHBondContact O-N 3.36Å
507T92.3Very high88.3Confident48 Ų4854.3 Ų54.329%0.29431%0.305SS..Hα-helixtrans-65.2-36176.6-51.10000112.1P504 L505 R511P504-T507 WeakPolarHBondContact O-CA 3.15Å; P504-T507 WeakPolarHBondContact O-CB 3.26Å; P504-T507 PolarHBondContact O-N 3.24Å; L505-T507 PolarHBondContact O-N 3.12Å; T507-R511 WeakPolarHBondContact O-CB 3.43Å; T507-R511 VanDerWaalsContact O-CG 3.26Å; T507-R511 WeakPolarHBondContact O-CG 3.4Å; T507-R511 PolarHBondContact O-N 2.98Å
508V93.3Very high88.2Confident0 Ų054.4 Ų54.40%031%0.306CS..Hα-helixtrans-70.4-49.3173.6-177.80000110.4V491 L495 L503 P504 L505 S506 V510 R511 V512 L529 L550V491-V508 HydrophobicContact CG2-CG1 4.45Å; L495-V508 HydrophobicContact CD2-CG2 4.18Å; L503-V508 HydrophobicContact CB-CG2 3.77Å; L503-V508 HydrophobicContact CD1-CG2 4.3Å; P504-V508 PolarHBondContact O-N 3.15Å; L505-V508 PolarHBondContact O-N 2.75Å; S506-V508 VanDerWaalsContact C-N 3.33Å; S506-V508 PolarHBondContact O-N 2.77Å; V508-V510 PolarHBondContact O-N 3.16Å; V508-R511 PolarHBondContact O-N 3.32Å; V508-V512 HydrophobicContact CG1-CG2 3.98Å; V508-V512 WeakPolarHBondContact O-CB 3.45Å; V508-V512 VanDerWaalsContact O-CG2 3.27Å; V508-V512 WeakPolarHBondContact O-CG2 3.38Å; V508-V512 PolarHBondContact O-N 3.15Å; V508-L529 HydrophobicContact CG1-CD1 4.16Å; V508-L550 HydrophobicContact CB-CD2 4.37Å; V508-L550 HydrophobicContact CG1-CD2 3.96Å; V508-L550 HydrophobicContact CG2-CB 4.31Å; V508-L550 HydrophobicContact CG2-CD2 4.31Å
509S93.9Very high88.4Confident4 Ų457.2 Ų57.23%0.02834%0.336CS..Hα-helixtrans-57.1-45.2-179.8-76.60000113.1L505 S506 A513 A522L505-S509 WeakPolarHBondContact O-CB 3.42Å; L505-S509 PolarHBondContact O-N 3.36Å; L505-S509 PolarHBondContact O-OG 2.67Å; S506-S509 PolarHBondContact O-N 3.15Å; S509-A513 VanDerWaalsContact O-CB 3.25Å; S509-A513 WeakPolarHBondContact O-CB 3.2Å; S509-A513 PolarHBondContact O-N 3.47Å; S509-A522 WeakPolarHBondContact CB-O 3.21Å; S509-A522 PolarHBondContact OG-O 3.38Å
510V93.9Very high89Confident68 Ų6852.6 Ų52.641%0.41231%0.311SS..Hα-helixtrans-63.7-52.3177.1171.80000110.7S506 V508 V512 A513 D514 A522S506-V510 WeakPolarHBondContact O-CB 3.35Å; S506-V510 WeakPolarHBondContact O-CG2 3.2Å; S506-V510 PolarHBondContact O-N 3.36Å; V508-V510 PolarHBondContact O-N 3.16Å; V510-V512 VanDerWaalsContact C-N 3.28Å; V510-V512 PolarHBondContact O-N 2.91Å; V510-A513 WeakPolarHBondContact O-CB 3.44Å; V510-A513 PolarHBondContact O-N 2.9Å; V510-A513 VanDerWaalsContact O-N 3.09Å; V510-D514 PolarHBondContact O-N 3.43Å; V510-A522 HydrophobicContact CG2-CB 3.96Å
511R93Very high89.9Confident118 Ų11854.6 Ų54.645%0.44532%0.323SS..Hα-helixtrans-62.2-34.3179.7-70.9177.5-177.8-162.92.4113.2I494 T507 V508 S515I494-R511 HydrophobicContact CD1-CB 3.62Å; I494-R511 HydrophobicContact CG1-CB 4.2Å; T507-R511 WeakPolarHBondContact O-CB 3.43Å; T507-R511 VanDerWaalsContact O-CG 3.26Å; T507-R511 WeakPolarHBondContact O-CG 3.4Å; T507-R511 PolarHBondContact O-N 2.98Å; V508-R511 PolarHBondContact O-N 3.32Å; R511-S515 WeakPolarHBondContact O-CB 3.31Å; R511-S515 PolarHBondContact O-N 3.45Å; R511-S515 PolarHBondContact O-OG 3.26Å
512V93.3Very high90.3Very high0 Ų048.3 Ų48.30%031%0.306CS..Hα-helixtrans-68-48173.5169.50000109.7I487 Q490 V491 I494 V508 V510 D514 S515 H516 I525I487-V512 HydrophobicContact CG2-CG1 4.34Å; Q490-V512 HydrophobicContact CB-CG1 4.32Å; Q490-V512 HydrophobicContact CB-CG2 4.29Å; V491-V512 HydrophobicContact CG2-CG2 3.77Å; I494-V512 HydrophobicContact CD1-CB 4.36Å; I494-V512 HydrophobicContact CD1-CG2 3.51Å; V508-V512 HydrophobicContact CG1-CG2 3.98Å; V508-V512 WeakPolarHBondContact O-CB 3.45Å; V508-V512 VanDerWaalsContact O-CG2 3.27Å; V508-V512 WeakPolarHBondContact O-CG2 3.38Å; V508-V512 PolarHBondContact O-N 3.15Å; V510-V512 VanDerWaalsContact C-N 3.28Å; V510-V512 PolarHBondContact O-N 2.91Å; V512-D514 PolarHBondContact O-N 3.29Å; V512-S515 CarbonylContact O-C 3.47Å; V512-S515 WeakPolarHBondContact O-CA 3.29Å; V512-S515 PolarHBondContact O-N 3.33Å; V512-S515 PolarHBondContact O-OG 2.87Å; V512-H516 WeakPolarHBondContact O-CB 3.5Å; V512-H516 PolarHBondContact O-N 3.45Å; V512-I525 HydrophobicContact CB-CG2 3.88Å; V512-I525 HydrophobicContact CG1-CD1 3.81Å; V512-I525 HydrophobicContact CG1-CG1 4.15Å; V512-I525 HydrophobicContact CG1-CG2 3.65Å
513A93Very high90.5Very high15 Ų1552.7 Ų52.712%0.12433%0.328CS..Hα-helixtrans-55.7-50.2176.800000112.3S509 V510 S515 H516 L520 I525S509-A513 VanDerWaalsContact O-CB 3.25Å; S509-A513 WeakPolarHBondContact O-CB 3.2Å; S509-A513 PolarHBondContact O-N 3.47Å; V510-A513 WeakPolarHBondContact O-CB 3.44Å; V510-A513 PolarHBondContact O-N 2.9Å; V510-A513 VanDerWaalsContact O-N 3.09Å; A513-S515 PolarHBondContact O-N 3.04Å; A513-H516 PolarHBondContact O-N 2.9Å; A513-L520 VanDerWaalsContact CB-O 3.26Å; A513-L520 WeakPolarHBondContact CB-O 3.36Å; A513-I525 HydrophobicContact CB-CG1 4.09Å
514D90.7Very high90.6Very high130 Ų13052.5 Ų52.570%0.69533%0.33SS*.Hα-helixtrans-56-32.9175.3-62.7-30.4000112.4V510 V512V510-D514 PolarHBondContact O-N 3.43Å; V512-D514 PolarHBondContact O-N 3.29Å
515S89.7Confident90.7Very high56 Ų5650.8 Ų50.839%0.39232%0.319SS..THydrogen-bonded Turntrans-87.3-5.9178.481.20000114.4Q490 R511 V512 A513Q490-S515 WeakPolarHBondContact CG-OG 3.32Å; Q490-S515 PolarHBondContact NE2-O 3Å; Q490-S515 PolarHBondContact NE2-OG 3.16Å; R511-S515 WeakPolarHBondContact O-CB 3.31Å; R511-S515 PolarHBondContact O-N 3.45Å; R511-S515 PolarHBondContact O-OG 3.26Å; V512-S515 CarbonylContact O-C 3.47Å; V512-S515 WeakPolarHBondContact O-CA 3.29Å; V512-S515 PolarHBondContact O-N 3.33Å; V512-S515 PolarHBondContact O-OG 2.87Å; A513-S515 PolarHBondContact O-N 3.04Å
516H87.2Confident90.7Very high10 Ų1051.7 Ų51.75%0.04633%0.327CS..  trans-94.2119.1-166.9-15686.4000112.7Q490 V512 A513 S518 G519Q490-H516 PolarHBondContact NE2-ND1 3.12Å; Q490-H516 PolarHBondContact OE1-ND1 3.43Å; V512-H516 WeakPolarHBondContact O-CB 3.5Å; V512-H516 PolarHBondContact O-N 3.45Å; A513-H516 PolarHBondContact O-N 2.9Å; H516-S518 PolarHBondContact O-N 3.02Å; H516-G519 PolarHBondContact O-N 3.48Å
517P83.6Confident90.7Very high105 Ų10554 Ų5468%0.68233%0.33SS*.THydrogen-bonded Turntrans-68.2-11.2-170.129.1-36.9000114.2L486L486-P517 HydrophobicContact CD2-CG 3.69Å
518S80.4Confident90.8Very high80 Ų8051.9 Ų51.956%0.55932%0.317SS*.THydrogen-bonded Turntrans-96.73.9175.7-49.40000114.3H516 L520H516-S518 PolarHBondContact O-N 3.02Å; S518-L520 PolarHBondContact O-N 3.36Å
519G84.2Confident90.8Very high67 Ų6752 Ų5269%0.69132%0.317SS*.  trans62.738.517500000114.7H516H516-G519 PolarHBondContact O-N 3.48Å
520L88.4Confident90.7Very high31 Ų3154.9 Ų54.916%0.16233%0.333CS..  trans-69142177.8-64.3177.1000110.9A513 S518 I525A513-L520 VanDerWaalsContact CB-O 3.26Å; A513-L520 WeakPolarHBondContact CB-O 3.36Å; S518-L520 PolarHBondContact O-N 3.36Å; L520-I525 HydrophobicContact CB-CD1 3.82Å; L520-I525 HydrophobicContact CB-CG1 4.02Å; L520-I525 HydrophobicContact CD1-CD1 3.63Å; L520-I525 HydrophobicContact CG-CD1 4.37Å
521S92.3Very high90.6Very high66 Ų6652.3 Ų52.346%0.46232%0.317SS..  trans-67.9156.8172.864.90000111.8D523 A524 I525S521-D523 PolarHBondContact O-N 3.34Å; S521-A524 PolarHBondContact O-N 2.95Å; S521-A524 WeakPolarHBondContact OG-CB 3.49Å; S521-A524 PolarHBondContact OG-N 3.47Å; S521-I525 WeakPolarHBondContact O-CG1 3.26Å; S521-I525 PolarHBondContact O-N 3.46Å
522A91.8Very high90.6Very high30 Ų3046.8 Ų46.825%0.24830%0.296CS..Hα-helixtrans-58.4-33.4176.500000112.6S509 V510 I525 S526S509-A522 WeakPolarHBondContact CB-O 3.21Å; S509-A522 PolarHBondContact OG-O 3.38Å; V510-A522 HydrophobicContact CG2-CB 3.96Å; A522-I525 PolarHBondContact O-N 2.84Å; A522-S526 PolarHBondContact O-N 3.16Å
523D92.5Very high90.5Very high123 Ų12348.2 Ų48.266%0.65830%0.303SS*.Hα-helixtrans-68.4-47.4176.1-55.2-36.2000111.2S521 I525 S526 E527S521-D523 PolarHBondContact O-N 3.34Å; D523-I525 VanDerWaalsContact C-N 3.29Å; D523-I525 PolarHBondContact O-N 3.38Å; D523-S526 WeakPolarHBondContact O-CA 3.42Å; D523-S526 WeakPolarHBondContact O-CB 3.45Å; D523-S526 PolarHBondContact O-N 2.88Å; D523-S526 PolarHBondContact O-OG 2.85Å; D523-E527 PolarHBondContact O-N 2.86Å
524A92.3Very high90.4Very high25 Ų2552.8 Ų52.821%0.20732%0.322CS..Hα-helixtrans-60.6-39.8174.700000111.4S521 S526 E527 H528S521-A524 PolarHBondContact O-N 2.95Å; S521-A524 WeakPolarHBondContact OG-CB 3.49Å; S521-A524 PolarHBondContact OG-N 3.47Å; A524-S526 VanDerWaalsContact C-N 3.3Å; A524-S526 PolarHBondContact O-N 3.48Å; A524-E527 PolarHBondContact O-N 2.66Å; A524-H528 PolarHBondContact O-N 3.17Å; A524-H528 PolarHBondContact O-ND1 3.33Å
525I94.3Very high90.4Very high0 Ų047 Ų470%029%0.292CS..Hα-helixtrans-61.2-38.1171.9-69-58.6000111.3I487 V512 A513 L520 S521 A522 D523 E527 H528 L529I487-I525 HydrophobicContact CD1-CD1 4.06Å; V512-I525 HydrophobicContact CB-CG2 3.88Å; V512-I525 HydrophobicContact CG1-CD1 3.81Å; V512-I525 HydrophobicContact CG1-CG1 4.15Å; V512-I525 HydrophobicContact CG1-CG2 3.65Å; A513-I525 HydrophobicContact CB-CG1 4.09Å; L520-I525 HydrophobicContact CB-CD1 3.82Å; L520-I525 HydrophobicContact CB-CG1 4.02Å; L520-I525 HydrophobicContact CD1-CD1 3.63Å; L520-I525 HydrophobicContact CG-CD1 4.37Å; S521-I525 WeakPolarHBondContact O-CG1 3.26Å; S521-I525 PolarHBondContact O-N 3.46Å; A522-I525 PolarHBondContact O-N 2.84Å; D523-I525 VanDerWaalsContact C-N 3.29Å; D523-I525 PolarHBondContact O-N 3.38Å; I525-E527 VanDerWaalsContact C-N 3.31Å; I525-E527 PolarHBondContact O-N 2.93Å; I525-H528 CarbonylContact O-C 3.58Å; I525-H528 PolarHBondContact O-N 3.06Å; I525-H528 VanDerWaalsContact O-N 3.1Å; I525-L529 HydrophobicContact CG2-CD1 4.03Å; I525-L529 HydrophobicContact CG2-CG 4.11Å; I525-L529 WeakPolarHBondContact O-CG 3.38Å; I525-L529 PolarHBondContact O-N 3.24Å
526S92.5Very high90.3Very high38 Ų3844.4 Ų44.427%0.26627%0.273SS..Hα-helixtrans-61.4-37.3178.281.30000112.8A522 D523 A524 L529 D530A522-S526 PolarHBondContact O-N 3.16Å; D523-S526 WeakPolarHBondContact O-CA 3.42Å; D523-S526 WeakPolarHBondContact O-CB 3.45Å; D523-S526 PolarHBondContact O-N 2.88Å; D523-S526 PolarHBondContact O-OG 2.85Å; A524-S526 VanDerWaalsContact C-N 3.3Å; A524-S526 PolarHBondContact O-N 3.48Å; S526-L529 PolarHBondContact O-N 2.71Å; S526-D530 PolarHBondContact O-N 2.9Å
527E92.6Very high90.3Very high120 Ų12047 Ų4756%0.56129%0.291SS*.Hα-helixtrans-63.9-42.5172.1-60.4-175.7157.600111.9D523 A524 I525 L529 D530 V531D523-E527 PolarHBondContact O-N 2.86Å; A524-E527 PolarHBondContact O-N 2.66Å; I525-E527 VanDerWaalsContact C-N 3.31Å; I525-E527 PolarHBondContact O-N 2.93Å; E527-L529 VanDerWaalsContact C-N 3.28Å; E527-L529 PolarHBondContact O-N 2.69Å; E527-D530 PolarHBondContact O-N 3.08Å; E527-V531 WeakPolarHBondContact O-CG2 3.41Å; E527-V531 PolarHBondContact O-N 3.38Å
528H93.5Very high90.5Very high4 Ų444.7 Ų44.72%0.01928%0.276CS..Hα-helixtrans-65.3-32.8176-6768.1000111.4I480 R483 L484 I487 A524 I525 L532I480-H528 HydrophobicContact CG2-CB 4.31Å; R483-H528 PolarHBondContact NH1-NE2 3.09Å; L484-H528 HydrophobicContact CD2-CB 4.44Å; L484-H528 WeakPolarHBondContact CD2-O 3.39Å; I487-H528 HydrophobicContact CD1-CB 3.54Å; I487-H528 WeakPolarHBondContact CD1-CD2 3.46Å; A524-H528 PolarHBondContact O-N 3.17Å; A524-H528 PolarHBondContact O-ND1 3.33Å; I525-H528 CarbonylContact O-C 3.58Å; I525-H528 PolarHBondContact O-N 3.06Å; I525-H528 VanDerWaalsContact O-N 3.1Å; H528-L532 WeakPolarHBondContact O-CB 3.38Å; H528-L532 PolarHBondContact O-N 3.3Å
529L93.3Very high90.9Very high2 Ų240.9 Ų40.91%0.0125%0.25CC..Hα-helixtrans-70.6-39.2174.9-68177.4000112.3I487 V491 L505 V508 I525 S526 E527 L532 I533 L550I487-L529 HydrophobicContact CG2-CD2 4.21Å; V491-L529 HydrophobicContact CG2-CD2 3.44Å; V491-L529 VanDerWaalsContact CG2-CD2 3.44Å; L505-L529 HydrophobicContact CD1-CB 4.34Å; L505-L529 HydrophobicContact CD1-CD1 3.55Å; V508-L529 HydrophobicContact CG1-CD1 4.16Å; I525-L529 HydrophobicContact CG2-CD1 4.03Å; I525-L529 HydrophobicContact CG2-CG 4.11Å; I525-L529 WeakPolarHBondContact O-CG 3.38Å; I525-L529 PolarHBondContact O-N 3.24Å; S526-L529 PolarHBondContact O-N 2.71Å; E527-L529 VanDerWaalsContact C-N 3.28Å; E527-L529 PolarHBondContact O-N 2.69Å; L529-L532 HydrophobicContact CD2-CD2 4.17Å; L529-L532 WeakPolarHBondContact O-CB 3.33Å; L529-L532 PolarHBondContact O-N 3.27Å; L529-I533 WeakPolarHBondContact O-CD1 3.38Å; L529-I533 VanDerWaalsContact O-CG1 3.3Å; L529-I533 WeakPolarHBondContact O-CG1 3.09Å; L529-I533 PolarHBondContact O-N 2.87Å; L529-L550 HydrophobicContact CD1-CD2 4.45Å; L529-L550 HydrophobicContact CD2-CD2 4.45Å
530D92.4Very high91.1Very high65 Ų6537.8 Ų37.835%0.34822%0.217SC..Hα-helixtrans-69.1-39.9176.8-84.2-5.5000112.2S526 E527 L532 I533 E534 K542S526-D530 PolarHBondContact O-N 2.9Å; E527-D530 PolarHBondContact O-N 3.08Å; D530-L532 VanDerWaalsContact C-N 3.29Å; D530-L532 PolarHBondContact O-N 2.91Å; D530-I533 PolarHBondContact O-N 2.83Å; D530-E534 PolarHBondContact O-N 3.22Å; D530-K542 WeakPolarHBondContact OD1-CE 3.49Å; D530-K542 IonicContact OD1-NZ 2.69Å; D530-K542 PolarHBondContact OD1-NZ 3.08Å; D530-K542 IonicContact OD2-NZ 3.9Å; D530-K542 PolarHBondContact OD2-NZ 3.48Å
531V92.1Very high91.2Very high14 Ų1439.5 Ų39.59%0.08523%0.225CC..Hα-helixtrans-64.6-34.4170.11750000111.5I480 Y481 L484 E527 E534 L535I480-V531 HydrophobicContact CD1-CG2 4.32Å; I480-V531 HydrophobicContact CG2-CB 4Å; I480-V531 HydrophobicContact CG2-CG1 3.92Å; I480-V531 HydrophobicContact CG2-CG2 4.23Å; Y481-V531 HydrophobicContact CD1-CG1 4.04Å; Y481-V531 HydrophobicContact CE1-CG1 3.65Å; L484-V531 HydrophobicContact CD1-CG1 4.25Å; E527-V531 WeakPolarHBondContact O-CG2 3.41Å; E527-V531 PolarHBondContact O-N 3.38Å; V531-E534 PolarHBondContact O-N 3.44Å; V531-L535 HydrophobicContact CG1-CD1 3.97Å; V531-L535 WeakPolarHBondContact O-CB 3.32Å; V531-L535 WeakPolarHBondContact O-CG 3.34Å; V531-L535 PolarHBondContact O-N 3.18Å
532L92.4Very high91.1Very high1 Ų139.1 Ų39.11%0.00522%0.215CC..Hα-helixtrans-67.4-36174.4177.959.9000112.5L484 I487 V488 H528 L529 D530 A536 W539 I540 I566L484-L532 HydrophobicContact CD2-CB 4.13Å; I487-L532 HydrophobicContact CG2-CD2 4.44Å; V488-L532 HydrophobicContact CG2-CD1 3.67Å; V488-L532 HydrophobicContact CG2-CD2 4.34Å; H528-L532 WeakPolarHBondContact O-CB 3.38Å; H528-L532 PolarHBondContact O-N 3.3Å; L529-L532 HydrophobicContact CD2-CD2 4.17Å; L529-L532 WeakPolarHBondContact O-CB 3.33Å; L529-L532 PolarHBondContact O-N 3.27Å; D530-L532 VanDerWaalsContact C-N 3.29Å; D530-L532 PolarHBondContact O-N 2.91Å; L532-A536 HydrophobicContact CD1-CB 4.42Å; L532-A536 WeakPolarHBondContact O-CA 3.45Å; L532-A536 WeakPolarHBondContact O-CB 3.41Å; L532-A536 PolarHBondContact O-N 3.19Å; L532-W539 HydrophobicContact CD1-CZ3 4.26Å; L532-W539 HydrophobicContact CD2-CZ3 4.17Å; L532-W539 HydrophobicContact CG-CZ3 4.49Å; L532-I540 HydrophobicContact CD2-CD1 3.99Å; L532-I540 HydrophobicContact CG-CD1 4.33Å; L532-I566 HydrophobicContact CD1-CD1 3.42Å; L532-I566 VanDerWaalsContact CD1-CD1 3.42Å; L532-I566 HydrophobicContact CD1-CG1 4.44Å
533I92Very high91Very high30 Ų3039.2 Ų39.215%0.15421%0.211CC..Hα-helixtrans-67.6-41.9173-68.9153000110.7L529 D530 L535 A536 P537 I540 K542 L550L529-I533 WeakPolarHBondContact O-CD1 3.38Å; L529-I533 VanDerWaalsContact O-CG1 3.3Å; L529-I533 WeakPolarHBondContact O-CG1 3.09Å; L529-I533 PolarHBondContact O-N 2.87Å; D530-I533 PolarHBondContact O-N 2.83Å; I533-L535 VanDerWaalsContact C-N 3.32Å; I533-L535 PolarHBondContact O-N 3.15Å; I533-A536 PolarHBondContact O-N 2.96Å; I533-P537 WeakPolarHBondContact O-CA 3.47Å; I533-P537 WeakPolarHBondContact O-CB 3.34Å; I533-P537 VanDerWaalsContact O-CD 3.27Å; I533-P537 WeakPolarHBondContact O-CD 3.32Å; I533-P537 VanDerWaalsContact O-N 3.16Å; I533-I540 HydrophobicContact CG1-CG2 3.81Å; I533-K542 HydrophobicContact CD1-CB 3.89Å; I533-K542 HydrophobicContact CD1-CD 4Å; I533-K542 HydrophobicContact CD1-CG 4.28Å; I533-L550 HydrophobicContact CD1-CD1 3.85Å; I533-L550 HydrophobicContact CG1-CD1 4.36Å
534E90.9Very high90.7Very high112 Ų11239.3 Ų39.352%0.52321%0.211SC..Hα-helixtrans-59.8-42.4175.7-162.9-164.4136.200111.6R477 D530 V531R477-E534 IonicContact CZ-OE1 3.96Å; R477-E534 IonicContact CZ-OE2 3.97Å; R477-E534 IonicContact NH1-OE1 2.83Å; R477-E534 PolarHBondContact NH1-OE1 2.93Å; R477-E534 IonicContact NH1-OE2 2.73Å; R477-E534 PolarHBondContact NH1-OE2 3.06Å; R477-E534 VanDerWaalsContact NH2-CD 3.27Å; R477-E534 IonicContact NH2-OE1 3.78Å; R477-E534 PolarHBondContact NH2-OE1 3.43Å; R477-E534 IonicContact NH2-OE2 3.31Å; R477-E534 PolarHBondContact NH2-OE2 2.92Å; D530-E534 PolarHBondContact O-N 3.22Å; V531-E534 PolarHBondContact O-N 3.44Å
535L89.4Confident90.5Very high9 Ų945 Ų455%0.04723%0.228CC..Hα-helixtrans-80-32.1179.2-68.7170.2000113.6Y481 L484 V531 I533 P537 I566 K569 V570Y481-L535 HydrophobicContact CD1-CD1 4.2Å; Y481-L535 HydrophobicContact CE1-CD1 3.79Å; L484-L535 HydrophobicContact CD1-CD1 3.4Å; L484-L535 VanDerWaalsContact CD1-CD1 3.4Å; V531-L535 HydrophobicContact CG1-CD1 3.97Å; V531-L535 WeakPolarHBondContact O-CB 3.32Å; V531-L535 WeakPolarHBondContact O-CG 3.34Å; V531-L535 PolarHBondContact O-N 3.18Å; I533-L535 VanDerWaalsContact C-N 3.32Å; I533-L535 PolarHBondContact O-N 3.15Å; L535-P537 VanDerWaalsContact C-CD 3.45Å; L535-I566 HydrophobicContact CD1-CG2 4.41Å; L535-K569 HydrophobicContact CD2-CB 3.94Å; L535-K569 HydrophobicContact CD2-CD 4.3Å; L535-K569 WeakPolarHBondContact O-CD 3.45Å; L535-K569 WeakPolarHBondContact O-CE 3.44Å; L535-K569 PolarHBondContact O-NZ 3.08Å; L535-V570 HydrophobicContact CD1-CG2 3.93Å; L535-V570 HydrophobicContact CD2-CG2 4.48Å
536A88.6Confident90Very high0 Ų051.2 Ų51.20%027%0.271CS..  trans-129.753.9-174.700000114.7L532 I533 C538 W539 I540 I566L532-A536 HydrophobicContact CD1-CB 4.42Å; L532-A536 WeakPolarHBondContact O-CA 3.45Å; L532-A536 WeakPolarHBondContact O-CB 3.41Å; L532-A536 PolarHBondContact O-N 3.19Å; I533-A536 PolarHBondContact O-N 2.96Å; A536-C538 PolarHBondContact O-N 3.37Å; A536-C538 VanDerWaalsContact O-N 3.11Å; A536-W539 HydrophobicContact CB-CB 4.22Å; A536-W539 HydrophobicContact CB-CE3 4.44Å; A536-W539 PolarHBondContact O-N 3.34Å; A536-I540 PolarHBondContact O-N 2.89Å; A536-I540 VanDerWaalsContact O-N 3.15Å; A536-I566 HydrophobicContact CB-CD1 4.49Å; A536-I566 HydrophobicContact CB-CG1 4.46Å
537P87.7Confident89.6Confident65 Ų6552.8 Ų52.842%0.42228%0.279SS..THydrogen-bonded Turntrans-69.9-10.1-175.330.3-37.3000114.6I533 L535 K553I533-P537 WeakPolarHBondContact O-CA 3.47Å; I533-P537 WeakPolarHBondContact O-CB 3.34Å; I533-P537 VanDerWaalsContact O-CD 3.27Å; I533-P537 WeakPolarHBondContact O-CD 3.32Å; I533-P537 VanDerWaalsContact O-N 3.16Å; L535-P537 VanDerWaalsContact C-CD 3.45Å; P537-K553 PolarHBondContact O-NZ 3.26Å
538C86.1Confident89.4Confident56 Ų5650 Ų5038%0.37827%0.267SS..THydrogen-bonded Turntrans-81.8-23.4169.656.50000112.8A536 K553A536-C538 PolarHBondContact O-N 3.37Å; A536-C538 VanDerWaalsContact O-N 3.11Å; C538-K553 VanDerWaalsContact O-CB 3.28Å; C538-K553 WeakPolarHBondContact O-CB 3.44Å
539W88.9Confident89.3Confident0 Ų051.3 Ų51.30%027%0.274CS..THydrogen-bonded Turntrans-99.5-42.1-175.7-179.154000112.5V488 V491 W492 L532 A536 L552 K553 V562V488-W539 HydrophobicContact CB-CH2 4.34Å; V488-W539 HydrophobicContact CB-CZ3 4.37Å; V488-W539 HydrophobicContact CG1-CH2 3.78Å; V488-W539 HydrophobicContact CG1-CZ2 4.5Å; V488-W539 HydrophobicContact CG1-CZ3 4.01Å; V488-W539 HydrophobicContact CG2-CZ3 4.08Å; V491-W539 HydrophobicContact CG1-CH2 4.42Å; W492-W539 HydrophobicContact CB-CH2 4.31Å; W492-W539 HydrophobicContact CB-CZ2 3.92Å; W492-W539 HydrophobicContact CG-CZ2 4.39Å; L532-W539 HydrophobicContact CD1-CZ3 4.26Å; L532-W539 HydrophobicContact CD2-CZ3 4.17Å; L532-W539 HydrophobicContact CG-CZ3 4.49Å; A536-W539 HydrophobicContact CB-CB 4.22Å; A536-W539 HydrophobicContact CB-CE3 4.44Å; A536-W539 PolarHBondContact O-N 3.34Å; W539-L552 HydrophobicContact CD2-CD1 4.17Å; W539-L552 HydrophobicContact CG-CD1 4.42Å; W539-L552 HydrophobicContact CZ2-CD1 3.81Å; W539-K553 PolarHBondContact O-N 3.18Å; W539-V562 HydrophobicContact CB-CG2 4.38Å; W539-V562 HydrophobicContact CD2-CB 4.3Å; W539-V562 HydrophobicContact CD2-CG1 3.55Å; W539-V562 HydrophobicContact CD2-CG2 3.73Å; W539-V562 HydrophobicContact CE3-CG1 3.33Å; W539-V562 HydrophobicContact CE3-CG2 4.4Å; W539-V562 HydrophobicContact CG-CG1 4.18Å; W539-V562 HydrophobicContact CG-CG2 3.68Å; W539-V562 HydrophobicContact CH2-CG1 4.14Å; W539-V562 HydrophobicContact CZ2-CG1 4.3Å; W539-V562 HydrophobicContact CZ3-CG1 3.63Å
540I89.3Confident89.2Confident2 Ų251.2 Ų51.21%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-122.6142.9179.7-69.9175000110.4V491 L532 I533 A536 L550 R551 L552V491-I540 HydrophobicContact CG1-CD1 3.6Å; L532-I540 HydrophobicContact CD2-CD1 3.99Å; L532-I540 HydrophobicContact CG-CD1 4.33Å; I533-I540 HydrophobicContact CG1-CG2 3.81Å; A536-I540 PolarHBondContact O-N 2.89Å; A536-I540 VanDerWaalsContact O-N 3.15Å; I540-L550 HydrophobicContact CG2-CD1 3.38Å; I540-L550 HydrophobicContact CG2-CD2 4.2Å; I540-L550 HydrophobicContact CG2-CG 3.68Å; I540-R551 WeakPolarHBondContact CA-O 3.46Å; I540-L552 HydrophobicContact CG1-CD1 3.93Å
541E89.6Confident89Confident67 Ų6753.6 Ų53.631%0.31328%0.277SS..EExtended strand (participates in β ladder)trans-126.6141.2173.7-178.3159.5-107.100112.4L543 R551 K553E541-L543 HydrophobicContact CG-CD2 4.01Å; E541-L543 HydrophobicContact CG-CG 4.46Å; E541-R551 PolarHBondContact N-O 2.75Å; E541-R551 PolarHBondContact O-N 2.8Å; E541-K553 HydrophobicContact CB-CD 4.28Å; E541-K553 HydrophobicContact CB-CG 4.24Å; E541-K553 WeakPolarHBondContact OE1-CE 3.19Å; E541-K553 IonicContact OE1-NZ 2.83Å; E541-K553 PolarHBondContact OE1-NZ 3.43Å; E541-K553 WeakPolarHBondContact OE2-CE 3.32Å; E541-K553 IonicContact OE2-NZ 2.67Å
542K91Very high88.9Confident59 Ų5953 Ų5326%0.25727%0.274SS..EExtended strand (participates in β ladder)trans-98.2103.1177-167.4173.3-175.2172.50109.1D530 I533 I548D530-K542 WeakPolarHBondContact OD1-CE 3.49Å; D530-K542 IonicContact OD1-NZ 2.69Å; D530-K542 PolarHBondContact OD1-NZ 3.08Å; D530-K542 IonicContact OD2-NZ 3.9Å; D530-K542 PolarHBondContact OD2-NZ 3.48Å; I533-K542 HydrophobicContact CD1-CB 3.89Å; I533-K542 HydrophobicContact CD1-CD 4Å; I533-K542 HydrophobicContact CD1-CG 4.28Å; K542-I548 HydrophobicContact CD-CG2 4.17Å; K542-I548 HydrophobicContact CG-CG2 3.5Å
543L88.9Confident88.6Confident32 Ų3257.1 Ų57.117%0.16829%0.291CS..EExtended strand (participates in β ladder)trans-89.4107.8-179.1-64.1176.6000109.9P502 E541 W545 H549 R551P502-L543 HydrophobicContact CB-CD1 4.03Å; P502-L543 HydrophobicContact CG-CD1 3.66Å; E541-L543 HydrophobicContact CG-CD2 4.01Å; E541-L543 HydrophobicContact CG-CG 4.46Å; L543-W545 VanDerWaalsContact C-N 3.28Å; L543-W545 HydrophobicContact CB-CD2 4.47Å; L543-W545 HydrophobicContact CD1-CH2 4.41Å; L543-W545 HydrophobicContact CD1-CZ2 3.89Å; L543-W545 PolarHBondContact O-N 3Å; L543-H549 HydrophobicContact CB-CB 4.29Å; L543-H549 PolarHBondContact N-O 3.29Å; L543-H549 PolarHBondContact O-N 3.41Å; L543-R551 HydrophobicContact CD1-CB 3.91Å; L543-R551 HydrophobicContact CG-CB 4.48Å
544N87.4Confident88.2Confident124 Ų12459.6 Ų59.666%0.66331%0.305SS*.EExtended strand (participates in β ladder)trans-80.473.7-179.7-63.9-33000111
545W88.1Confident87.5Confident145 Ų14556.2 Ų56.255%0.54929%0.293SS..SBendtrans-87.5-167.2168.5-59.5-16.3000110.5P502 L543 T547 H549P502-W545 HydrophobicContact CB-CH2 4.05Å; P502-W545 HydrophobicContact CB-CZ3 4.08Å; P502-W545 HydrophobicContact CG-CH2 3.72Å; P502-W545 HydrophobicContact CG-CZ2 4.38Å; P502-W545 HydrophobicContact CG-CZ3 4.25Å; L543-W545 VanDerWaalsContact C-N 3.28Å; L543-W545 HydrophobicContact CB-CD2 4.47Å; L543-W545 HydrophobicContact CD1-CH2 4.41Å; L543-W545 HydrophobicContact CD1-CZ2 3.89Å; L543-W545 PolarHBondContact O-N 3Å; W545-T547 CarbonylContact C-O 3.49Å; W545-T547 WeakPolarHBondContact CB-O 3.42Å; W545-T547 CarbonylContact O-C 3.55Å; W545-T547 PolarHBondContact O-N 3.1Å; W545-H549 HydrophobicContact CE3-CB 4.12Å; W545-H549 AromaticContact CE3-CD2 3.92Å; W545-H549 AromaticContact CE3-CE1 3.9Å; W545-H549 AromaticContact CE3-CG 3.65Å; W545-H549 AromaticContact CE3-ND1 3.63Å; W545-H549 HydrophobicContact CZ3-CB 4.46Å; W545-H549 AromaticContact CZ3-CD2 3.96Å
546S83.5Confident87Confident130 Ų13062.4 Ų62.491%0.90932%0.321SS*.SBendtrans-52.9-34.4175.551.70000113.5
547T84.3Confident86.7Confident72 Ų7266 Ų6644%0.44234%0.335SS..SBendtrans-117.6144158.7-58.30000107.5P504 W545 H549P504-T547 HydrophobicContact CB-CG2 4.26Å; W545-T547 CarbonylContact C-O 3.49Å; W545-T547 WeakPolarHBondContact CB-O 3.42Å; W545-T547 CarbonylContact O-C 3.55Å; W545-T547 PolarHBondContact O-N 3.1Å; T547-H549 PolarHBondContact O-N 3.22Å; T547-H549 PolarHBondContact O-ND1 3.44Å
548I88.8Confident86.7Confident61 Ų6165 Ų6531%0.31333%0.33SS..EExtended strand (participates in β ladder)trans-62.2123.8173.6-59.3171.1000109L505 K542L505-I548 HydrophobicContact CB-CB 4.31Å; L505-I548 HydrophobicContact CB-CG2 4.09Å; L505-I548 WeakPolarHBondContact CB-O 3.39Å; L505-I548 HydrophobicContact CD2-CB 4.46Å; L505-I548 HydrophobicContact CD2-CG2 3.93Å; L505-I548 PolarHBondContact N-O 3.02Å; K542-I548 HydrophobicContact CD-CG2 4.17Å; K542-I548 HydrophobicContact CG-CG2 3.5Å
549H90.9Very high86.9Confident32 Ų3263.8 Ų63.815%0.14832%0.32CS..EExtended strand (participates in β ladder)trans-109.9153.4174.2-73.363.3000111.1P502 L503 L543 W545 T547P502-H549 HydrophobicContact CB-CB 3.84Å; L503-H549 VanDerWaalsContact C-CD2 3.49Å; L503-H549 CarbonylContact O-C 3.47Å; L503-H549 VanDerWaalsContact O-CA 3.25Å; L503-H549 WeakPolarHBondContact O-CA 3.4Å; L543-H549 HydrophobicContact CB-CB 4.29Å; L543-H549 PolarHBondContact N-O 3.29Å; L543-H549 PolarHBondContact O-N 3.41Å; W545-H549 HydrophobicContact CE3-CB 4.12Å; W545-H549 AromaticContact CE3-CD2 3.92Å; W545-H549 AromaticContact CE3-CE1 3.9Å; W545-H549 AromaticContact CE3-CG 3.65Å; W545-H549 AromaticContact CE3-ND1 3.63Å; W545-H549 HydrophobicContact CZ3-CB 4.46Å; W545-H549 AromaticContact CZ3-CD2 3.96Å; T547-H549 PolarHBondContact O-N 3.22Å; T547-H549 PolarHBondContact O-ND1 3.44Å
550L91.3Very high87Confident0 Ų071.1 Ų71.10%035%0.352CS..EExtended strand (participates in β ladder)trans-113.2128.7177.6-157.970.7000109.1V491 L495 P502 L503 L505 V508 L529 I533 I540V491-L550 HydrophobicContact CG1-CD2 4.36Å; L495-L550 HydrophobicContact CD1-CD2 4.17Å; L495-L550 HydrophobicContact CD1-CG 4.4Å; P502-L550 WeakPolarHBondContact CA-O 3.42Å; L503-L550 PolarHBondContact N-O 3.43Å; L503-L550 PolarHBondContact O-N 3.34Å; L505-L550 HydrophobicContact CD1-CD1 4.33Å; L505-L550 HydrophobicContact CD1-CD2 4.43Å; V508-L550 HydrophobicContact CB-CD2 4.37Å; V508-L550 HydrophobicContact CG1-CD2 3.96Å; V508-L550 HydrophobicContact CG2-CB 4.31Å; V508-L550 HydrophobicContact CG2-CD2 4.31Å; L529-L550 HydrophobicContact CD1-CD2 4.45Å; L529-L550 HydrophobicContact CD2-CD2 4.45Å; I533-L550 HydrophobicContact CD1-CD1 3.85Å; I533-L550 HydrophobicContact CG1-CD1 4.36Å; I540-L550 HydrophobicContact CG2-CD1 3.38Å; I540-L550 HydrophobicContact CG2-CD2 4.2Å; I540-L550 HydrophobicContact CG2-CG 3.68Å
551R88.6Confident87Confident114 Ų11474.7 Ų74.743%0.4337%0.371SS..EExtended strand (participates in β ladder)trans-126.5143.6178.6-162.3-168.9179.4-174-4.9110.9A500 P502 I540 E541 L543A500-R551 PolarHBondContact O-NE 2.94Å; P502-R551 HydrophobicContact CB-CB 4.31Å; P502-R551 HydrophobicContact CG-CB 4.08Å; P502-R551 HydrophobicContact CG-CG 3.86Å; I540-R551 WeakPolarHBondContact CA-O 3.46Å; E541-R551 PolarHBondContact N-O 2.75Å; E541-R551 PolarHBondContact O-N 2.8Å; L543-R551 HydrophobicContact CD1-CB 3.91Å; L543-R551 HydrophobicContact CG-CB 4.48Å
552L89.9Confident87.1Confident3 Ų371.5 Ų71.52%0.01636%0.356CS..EExtended strand (participates in β ladder)trans-79.9126165.9-143.362.2000108.7L495 W539 I540 P555L495-L552 HydrophobicContact CD1-CB 4.5Å; L495-L552 HydrophobicContact CD1-CD1 3.97Å; W539-L552 HydrophobicContact CD2-CD1 4.17Å; W539-L552 HydrophobicContact CG-CD1 4.42Å; W539-L552 HydrophobicContact CZ2-CD1 3.81Å; I540-L552 HydrophobicContact CG1-CD1 3.93Å; L552-P555 HydrophobicContact CD2-CB 4.33Å
553K85.6Confident87.1Confident87 Ų8770 Ų7038%0.37835%0.351SS..SBendtrans-76.8-58.9176-93.3177.4171.1157.20111P537 C538 W539 E541 P555P537-K553 PolarHBondContact O-NZ 3.26Å; C538-K553 VanDerWaalsContact O-CB 3.28Å; C538-K553 WeakPolarHBondContact O-CB 3.44Å; W539-K553 PolarHBondContact O-N 3.18Å; E541-K553 HydrophobicContact CB-CD 4.28Å; E541-K553 HydrophobicContact CB-CG 4.24Å; E541-K553 WeakPolarHBondContact OE1-CE 3.19Å; E541-K553 IonicContact OE1-NZ 2.83Å; E541-K553 PolarHBondContact OE1-NZ 3.43Å; E541-K553 WeakPolarHBondContact OE2-CE 3.32Å; E541-K553 IonicContact OE2-NZ 2.67Å; K553-P555 WeakPolarHBondContact O-CD 3.35Å
554D82.8Confident87.2Confident81 Ų8172.8 Ų72.843%0.43337%0.366SS..  trans-105.391.9-179.8-60.2-21.8000109.6E556 R557D554-E556 VanDerWaalsContact C-N 3.27Å; D554-E556 PolarHBondContact O-N 2.99Å; D554-R557 HydrophobicContact CB-CB 3.89Å; D554-R557 PolarHBondContact O-N 3.39Å
555P78Confident87.4Confident41 Ų4169 Ų6927%0.26635%0.345SS..THydrogen-bonded Turntrans-67.7-25.6-177.727-35000113.4R496 A500 L552 K553R496-P555 PolarHBondContact NH1-O 3.46Å; A500-P555 HydrophobicContact CB-CB 4.35Å; L552-P555 HydrophobicContact CD2-CB 4.33Å; K553-P555 WeakPolarHBondContact O-CD 3.35Å
556E78.8Confident87.5Confident140 Ų14062 Ų6265%0.65432%0.319SS*.THydrogen-bonded Turntrans-88.3-4.1-179.5-54.5-39.4125.100114.2R496 D554 S558R496-E556 IonicContact CZ-OE2 2.7Å; R496-E556 IonicContact NH1-OE1 2.98Å; R496-E556 IonicContact NH1-OE2 3.47Å; R496-E556 IonicContact NH2-OE1 2.67Å; R496-E556 IonicContact NH2-OE2 2.78Å; R496-E556 PolarHBondContact NH2-OE2 2.85Å; D554-E556 VanDerWaalsContact C-N 3.27Å; D554-E556 PolarHBondContact O-N 2.99Å; E556-S558 PolarHBondContact O-N 3.22Å
557R82.2Confident87.9Confident74 Ų7459.1 Ų59.128%0.27929%0.29SS..SBendtrans-69.3128.3176.2-161.9170.6-167-76.8-9.1109.8D554 D561 V562D554-R557 HydrophobicContact CB-CB 3.89Å; D554-R557 PolarHBondContact O-N 3.39Å; R557-D561 PolarHBondContact NH1-O 3.28Å; R557-D561 PolarHBondContact NH2-O 3.46Å; R557-V562 HydrophobicContact CG-CG2 4.4Å
558S87.2Confident88.1Confident46 Ų4658.5 Ų58.532%0.32229%0.289SS..  trans-72.3150.4-171.796.20000111.8E556 K560 D561 V562E556-S558 PolarHBondContact O-N 3.22Å; S558-K560 PolarHBondContact O-N 3.48Å; S558-K560 PolarHBondContact OG-N 2.83Å; S558-D561 WeakPolarHBondContact CB-OD2 3.36Å; S558-D561 PolarHBondContact N-OD2 2.77Å; S558-D561 PolarHBondContact O-N 2.84Å; S558-D561 PolarHBondContact OG-N 3.35Å; S558-D561 PolarHBondContact OG-OD1 2.8Å; S558-D561 PolarHBondContact OG-OD2 3.48Å; S558-V562 WeakPolarHBondContact O-CG2 3.47Å; S558-V562 PolarHBondContact O-N 3.24Å
559V89.6Confident88.1Confident29 Ų2958.8 Ų58.818%0.17629%0.288CS..Hα-helixtrans-61.3-29.4-179.6-164.80000111.6V488 T489 W492 I563V488-V559 HydrophobicContact CG1-CG1 3.88Å; T489-V559 HydrophobicContact CG2-CG1 4.04Å; W492-V559 HydrophobicContact CB-CG2 4.24Å; W492-V559 HydrophobicContact CD2-CG2 3.35Å; W492-V559 VanDerWaalsContact CE2-CG2 3.44Å; W492-V559 HydrophobicContact CE3-CG2 3.85Å; W492-V559 HydrophobicContact CG-CG2 3.54Å; W492-V559 HydrophobicContact CH2-CG2 4.41Å; W492-V559 HydrophobicContact CZ2-CG2 3.99Å; W492-V559 HydrophobicContact CZ3-CG2 4.35Å; V559-I563 HydrophobicContact CG1-CD1 4.16Å; V559-I563 VanDerWaalsContact O-CG1 3.31Å; V559-I563 WeakPolarHBondContact O-CG1 3.34Å; V559-I563 PolarHBondContact O-N 3.34Å
560K90.4Very high88Confident154 Ų15457.3 Ų57.367%0.6728%0.281SS*.Hα-helixtrans-66.9-53176.4-64.5-178.7178.7-179.70110.6S558 V562 I563 D564S558-K560 PolarHBondContact O-N 3.48Å; S558-K560 PolarHBondContact OG-N 2.83Å; K560-V562 PolarHBondContact O-N 3.25Å; K560-I563 PolarHBondContact O-N 3.19Å; K560-D564 PolarHBondContact O-N 3.03Å
561D90.9Very high87.7Confident77 Ų7759.8 Ų59.841%0.41230%0.301SS..Hα-helixtrans-59.3-23.5179.8-40.6-44.7000113R557 S558 L565R557-D561 PolarHBondContact NH1-O 3.28Å; R557-D561 PolarHBondContact NH2-O 3.46Å; S558-D561 WeakPolarHBondContact CB-OD2 3.36Å; S558-D561 PolarHBondContact N-OD2 2.77Å; S558-D561 PolarHBondContact O-N 2.84Å; S558-D561 PolarHBondContact OG-N 3.35Å; S558-D561 PolarHBondContact OG-OD1 2.8Å; S558-D561 PolarHBondContact OG-OD2 3.48Å; D561-L565 WeakPolarHBondContact O-CB 3.45Å; D561-L565 PolarHBondContact O-N 3.22Å
562V90.6Very high87.5Confident0 Ų062.3 Ų62.30%032%0.315CS..Hα-helixtrans-79.7-48.3173.9173.40000111V488 W539 R557 S558 K560 D564 L565 I566V488-V562 HydrophobicContact CG1-CB 4.3Å; V488-V562 HydrophobicContact CG1-CG1 3.67Å; V488-V562 HydrophobicContact CG2-CG1 4.29Å; W539-V562 HydrophobicContact CB-CG2 4.38Å; W539-V562 HydrophobicContact CD2-CB 4.3Å; W539-V562 HydrophobicContact CD2-CG1 3.55Å; W539-V562 HydrophobicContact CD2-CG2 3.73Å; W539-V562 HydrophobicContact CE3-CG1 3.33Å; W539-V562 HydrophobicContact CE3-CG2 4.4Å; W539-V562 HydrophobicContact CG-CG1 4.18Å; W539-V562 HydrophobicContact CG-CG2 3.68Å; W539-V562 HydrophobicContact CH2-CG1 4.14Å; W539-V562 HydrophobicContact CZ2-CG1 4.3Å; W539-V562 HydrophobicContact CZ3-CG1 3.63Å; R557-V562 HydrophobicContact CG-CG2 4.4Å; S558-V562 WeakPolarHBondContact O-CG2 3.47Å; S558-V562 PolarHBondContact O-N 3.24Å; K560-V562 PolarHBondContact O-N 3.25Å; V562-D564 VanDerWaalsContact C-N 3.31Å; V562-D564 PolarHBondContact O-N 3.08Å; V562-L565 PolarHBondContact O-N 2.9Å; V562-I566 HydrophobicContact CG1-CD1 3.93Å; V562-I566 WeakPolarHBondContact O-CD1 3.45Å; V562-I566 VanDerWaalsContact O-CG1 3.31Å; V562-I566 WeakPolarHBondContact O-CG1 3.48Å; V562-I566 PolarHBondContact O-N 3.48Å
563I91.9Very high87Confident29 Ų2965 Ų6515%0.14933%0.329CS..Hα-helixtrans-59.5-43.6175.5-70.8170000110.6P485 V488 T489 V559 K560 I566 K567P485-I563 HydrophobicContact CB-CG2 4.14Å; V488-I563 HydrophobicContact CB-CG1 4.2Å; V488-I563 HydrophobicContact CG1-CD1 4.35Å; V488-I563 HydrophobicContact CG1-CG1 3.73Å; T489-I563 HydrophobicContact CG2-CD1 4.1Å; V559-I563 HydrophobicContact CG1-CD1 4.16Å; V559-I563 VanDerWaalsContact O-CG1 3.31Å; V559-I563 WeakPolarHBondContact O-CG1 3.34Å; V559-I563 PolarHBondContact O-N 3.34Å; K560-I563 PolarHBondContact O-N 3.19Å; I563-I566 PolarHBondContact O-N 2.72Å; I563-K567 HydrophobicContact CG2-CD 3.91Å; I563-K567 HydrophobicContact CG2-CG 4.4Å; I563-K567 WeakPolarHBondContact O-CG 3.43Å; I563-K567 PolarHBondContact O-N 2.93Å
564D91.4Very high86.4Confident89 Ų8964 Ų6448%0.47634%0.344SS..Hα-helixtrans-72.9-32.9-177.5-62-32.7000112.2K560 V562 S568K560-D564 PolarHBondContact O-N 3.03Å; V562-D564 VanDerWaalsContact C-N 3.31Å; V562-D564 PolarHBondContact O-N 3.08Å; D564-S568 VanDerWaalsContact O-CB 3.27Å; D564-S568 WeakPolarHBondContact O-CB 3.39Å; D564-S568 PolarHBondContact O-N 3.5Å
565L90.8Very high86.1Confident44 Ų4460.5 Ų60.523%0.2333%0.326CS..Hα-helixtrans-62.2-41.9168.1174.864.1000111.8D561 V562 S568 K569D561-L565 WeakPolarHBondContact O-CB 3.45Å; D561-L565 PolarHBondContact O-N 3.22Å; V562-L565 PolarHBondContact O-N 2.9Å; L565-S568 PolarHBondContact O-N 2.93Å; L565-K569 PolarHBondContact O-N 3.32Å
566I90.8Very high86Confident0 Ų065.6 Ų65.60%035%0.351CS..Hα-helixtrans-67.9-47.6178-70.8160.9000110.3L484 V488 L532 L535 A536 V562 I563 S568 K569 V570 I577L484-I566 HydrophobicContact CB-CG2 4.23Å; L484-I566 HydrophobicContact CD1-CG2 4.06Å; V488-I566 HydrophobicContact CG2-CD1 3.43Å; V488-I566 VanDerWaalsContact CG2-CD1 3.43Å; L532-I566 HydrophobicContact CD1-CD1 3.42Å; L532-I566 VanDerWaalsContact CD1-CD1 3.42Å; L532-I566 HydrophobicContact CD1-CG1 4.44Å; L535-I566 HydrophobicContact CD1-CG2 4.41Å; A536-I566 HydrophobicContact CB-CD1 4.49Å; A536-I566 HydrophobicContact CB-CG1 4.46Å; V562-I566 HydrophobicContact CG1-CD1 3.93Å; V562-I566 WeakPolarHBondContact O-CD1 3.45Å; V562-I566 VanDerWaalsContact O-CG1 3.31Å; V562-I566 WeakPolarHBondContact O-CG1 3.48Å; V562-I566 PolarHBondContact O-N 3.48Å; I563-I566 PolarHBondContact O-N 2.72Å; I566-S568 VanDerWaalsContact C-N 3.32Å; I566-S568 PolarHBondContact O-N 3.28Å; I566-K569 PolarHBondContact O-N 3.48Å; I566-V570 HydrophobicContact CG2-CG2 4.19Å; I566-V570 WeakPolarHBondContact O-CB 3.33Å; I566-V570 VanDerWaalsContact O-CG2 3.3Å; I566-V570 WeakPolarHBondContact O-CG2 3.33Å; I566-V570 PolarHBondContact O-N 3Å; I566-I577 HydrophobicContact CG2-CD1 4.3Å
567K90.7Very high86Confident68 Ų6861.5 Ų61.530%0.29633%0.333SS..Hα-helixtrans-52.9-48.3172-74.4169.9168.3-82.90111.4I563 K569 V570 A571 I577I563-K567 HydrophobicContact CG2-CD 3.91Å; I563-K567 HydrophobicContact CG2-CG 4.4Å; I563-K567 WeakPolarHBondContact O-CG 3.43Å; I563-K567 PolarHBondContact O-N 2.93Å; K567-K569 VanDerWaalsContact C-N 3.35Å; K567-K569 PolarHBondContact O-N 2.92Å; K567-V570 PolarHBondContact O-N 3.01Å; K567-A571 VanDerWaalsContact O-CB 3.26Å; K567-A571 WeakPolarHBondContact O-CB 3.15Å; K567-A571 PolarHBondContact O-N 3.32Å; K567-I577 HydrophobicContact CG-CD1 4.21Å; K567-I577 HydrophobicContact CG-CG1 4.1Å; K567-I577 PolarHBondContact NZ-O 2.74Å; K567-I577 PolarHBondContact NZ-OXT 3.37Å
568S89.8Confident86.1Confident59 Ų5960.9 Ų60.941%0.41334%0.336SS..Hα-helixtrans-62.8-35.4179.2-173.40000113.6D564 L565 I566 K572D564-S568 VanDerWaalsContact O-CB 3.27Å; D564-S568 WeakPolarHBondContact O-CB 3.39Å; D564-S568 PolarHBondContact O-N 3.5Å; L565-S568 PolarHBondContact O-N 2.93Å; I566-S568 VanDerWaalsContact C-N 3.32Å; I566-S568 PolarHBondContact O-N 3.28Å; S568-K572 WeakPolarHBondContact O-CG 3.29Å
569K88.2Confident86.1Confident68 Ų6861.6 Ų61.630%0.29634%0.336SS..Hα-helixtrans-74.8-47.3174.7-76.7-176.2172.5-168.90112.2L535 L565 I566 K567 A571 K572 D573L535-K569 HydrophobicContact CD2-CB 3.94Å; L535-K569 HydrophobicContact CD2-CD 4.3Å; L535-K569 WeakPolarHBondContact O-CD 3.45Å; L535-K569 WeakPolarHBondContact O-CE 3.44Å; L535-K569 PolarHBondContact O-NZ 3.08Å; L565-K569 PolarHBondContact O-N 3.32Å; I566-K569 PolarHBondContact O-N 3.48Å; K567-K569 VanDerWaalsContact C-N 3.35Å; K567-K569 PolarHBondContact O-N 2.92Å; K569-A571 VanDerWaalsContact C-N 3.25Å; K569-A571 PolarHBondContact O-N 3.32Å; K569-K572 WeakPolarHBondContact O-CB 3.45Å; K569-K572 PolarHBondContact O-N 3.13Å; K569-D573 PolarHBondContact O-N 2.9Å
570V88.5Confident85.9Confident0 Ų063.4 Ų63.40%035%0.345CS..Hα-helixtrans-61.1-35179170.50000111.6Y481 L535 I566 K567 K572 D573 G574 V575 I577Y481-V570 HydrophobicContact CD1-CG2 4.17Å; Y481-V570 HydrophobicContact CD2-CB 4.19Å; Y481-V570 HydrophobicContact CD2-CG1 3.41Å; Y481-V570 VanDerWaalsContact CD2-CG1 3.41Å; Y481-V570 HydrophobicContact CD2-CG2 3.85Å; Y481-V570 HydrophobicContact CE1-CG2 4.35Å; Y481-V570 HydrophobicContact CE2-CB 4.39Å; Y481-V570 HydrophobicContact CE2-CG1 3.97Å; Y481-V570 HydrophobicContact CE2-CG2 3.99Å; Y481-V570 HydrophobicContact CG-CG1 3.94Å; Y481-V570 HydrophobicContact CG-CG2 3.89Å; L535-V570 HydrophobicContact CD1-CG2 3.93Å; L535-V570 HydrophobicContact CD2-CG2 4.48Å; I566-V570 HydrophobicContact CG2-CG2 4.19Å; I566-V570 WeakPolarHBondContact O-CB 3.33Å; I566-V570 VanDerWaalsContact O-CG2 3.3Å; I566-V570 WeakPolarHBondContact O-CG2 3.33Å; I566-V570 PolarHBondContact O-N 3Å; K567-V570 PolarHBondContact O-N 3.01Å; V570-K572 VanDerWaalsContact C-N 3.32Å; V570-K572 PolarHBondContact O-N 3Å; V570-D573 WeakPolarHBondContact O-CB 3.25Å; V570-D573 PolarHBondContact O-N 3.07Å; V570-G574 PolarHBondContact O-N 2.91Å; V570-V575 CarbonylContact C-O 3.57Å; V570-V575 HydrophobicContact CG1-CB 3.73Å; V570-V575 HydrophobicContact CG1-CG1 3.81Å; V570-V575 WeakPolarHBondContact CG1-O 3.41Å; V570-V575 PolarHBondContact O-N 2.93Å; V570-I577 HydrophobicContact CB-CD1 3.81Å; V570-I577 HydrophobicContact CB-CG1 4.09Å; V570-I577 HydrophobicContact CG1-CD1 3.73Å; V570-I577 HydrophobicContact CG1-CG1 3.71Å; V570-I577 HydrophobicContact CG1-CG2 4.29Å; V570-I577 HydrophobicContact CG2-CD1 3.93Å
571A86.1Confident85.6Confident52 Ų5258.1 Ų58.143%0.4333%0.326SS..Hα-helixtrans-61.6-34.7171.600000113.6K567 K569 D573 G574 V575K567-A571 VanDerWaalsContact O-CB 3.26Å; K567-A571 WeakPolarHBondContact O-CB 3.15Å; K567-A571 PolarHBondContact O-N 3.32Å; K569-A571 VanDerWaalsContact C-N 3.25Å; K569-A571 PolarHBondContact O-N 3.32Å; A571-D573 VanDerWaalsContact C-N 3.3Å; A571-D573 PolarHBondContact O-N 3.33Å; A571-G574 PolarHBondContact O-N 3.34Å; A571-G574 VanDerWaalsContact O-N 3.09Å; A571-V575 VanDerWaalsContact CA-O 3.22Å; A571-V575 WeakPolarHBondContact CA-O 3.29Å; A571-V575 PolarHBondContact N-O 3.28Å
572K83.4Confident85.3Confident168 Ų16856.9 Ų56.973%0.7332%0.321SS*.Hα-helixtrans-70.9-26.5176.5-67.8169.1-174.4-179.30112.6S568 K569 V570 G574S568-K572 WeakPolarHBondContact O-CG 3.29Å; K569-K572 WeakPolarHBondContact O-CB 3.45Å; K569-K572 PolarHBondContact O-N 3.13Å; V570-K572 VanDerWaalsContact C-N 3.32Å; V570-K572 PolarHBondContact O-N 3Å; K572-G574 PolarHBondContact O-N 3.31Å
573D79.1Confident84.9Confident58 Ų5860.7 Ų60.731%0.3134%0.342SS..THydrogen-bonded Turntrans-76.4-7.2171.3-63.5-11.9000112.8V473 Y481 K569 V570 A571V473-D573 HydrophobicContact CG2-CB 3.55Å; Y481-D573 HydrophobicContact CE2-CB 4.28Å; Y481-D573 WeakPolarHBondContact CE2-OD2 3.34Å; Y481-D573 PolarHBondContact OH-OD2 2.87Å; K569-D573 PolarHBondContact O-N 2.9Å; V570-D573 WeakPolarHBondContact O-CB 3.25Å; V570-D573 PolarHBondContact O-N 3.07Å; A571-D573 VanDerWaalsContact C-N 3.3Å; A571-D573 PolarHBondContact O-N 3.33Å
574G74.3Confident84.4Confident67 Ų6763 Ų6369%0.69136%0.356SS*.THydrogen-bonded Turntrans90.318.4-179.400000114.8V570 A571 K572V570-G574 PolarHBondContact O-N 2.91Å; A571-G574 PolarHBondContact O-N 3.34Å; A571-G574 VanDerWaalsContact O-N 3.09Å; K572-G574 PolarHBondContact O-N 3.31Å
575V76.3Confident83.9Confident8 Ų861 Ų615%0.04835%0.347CS..  trans-115.6133176.5176.20000109.3V473 R478 Y481 V570 A571 I577V473-V575 HydrophobicContact CB-CG2 4.11Å; V473-V575 HydrophobicContact CG2-CG2 4.01Å; R478-V575 HydrophobicContact CG-CG1 3.89Å; R478-V575 HydrophobicContact CG-CG2 4.05Å; Y481-V575 HydrophobicContact CD2-CB 4.19Å; Y481-V575 HydrophobicContact CD2-CG1 4.24Å; Y481-V575 HydrophobicContact CD2-CG2 4.3Å; V570-V575 CarbonylContact C-O 3.57Å; V570-V575 HydrophobicContact CG1-CB 3.73Å; V570-V575 HydrophobicContact CG1-CG1 3.81Å; V570-V575 WeakPolarHBondContact CG1-O 3.41Å; V570-V575 PolarHBondContact O-N 2.93Å; A571-V575 VanDerWaalsContact CA-O 3.22Å; A571-V575 WeakPolarHBondContact CA-O 3.29Å; A571-V575 PolarHBondContact N-O 3.28Å; V575-I577 HydrophobicContact CG1-CG2 4.13Å
576N75.8Confident83.3Confident147 Ų14762.4 Ų62.479%0.78636%0.356SS*.  trans-105.5134.5176.7-155.7-0.7000110
577I77.1Confident82.7Confident54 Ų5468.1 Ų68.128%0.27739%0.389SS..  trans-147.60-172.851.7158.8000111.1P485 I566 K567 V570 V575P485-I577 HydrophobicContact CG-CD1 4.31Å; I566-I577 HydrophobicContact CG2-CD1 4.3Å; K567-I577 HydrophobicContact CG-CD1 4.21Å; K567-I577 HydrophobicContact CG-CG1 4.1Å; K567-I577 PolarHBondContact NZ-O 2.74Å; K567-I577 PolarHBondContact NZ-OXT 3.37Å; V570-I577 HydrophobicContact CB-CD1 3.81Å; V570-I577 HydrophobicContact CB-CG1 4.09Å; V570-I577 HydrophobicContact CG1-CD1 3.73Å; V570-I577 HydrophobicContact CG1-CG1 3.71Å; V570-I577 HydrophobicContact CG1-CG2 4.29Å; V570-I577 HydrophobicContact CG2-CD1 3.93Å; V575-I577 HydrophobicContact CG1-CG2 4.13Å

Retrieved 577 of 577 residues in 119.7 ms (Link to these results)