A0A096LXJ4_POEFO Loading...

T-box transcription factor 3a

AlphaFold DB , UniProt , Accession A0A096LXJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 708 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.2Very low35.4Very low226 Ų226151.2 Ų151.2100%1.11376%0.756SS**  0103.30-66.1169.1-177.500105.5
2N32.2Very low35.4Very low137 Ų137144 Ų14473%0.73375%0.749SS**  76.3107.482.8-64.421000109.7
3F32.2Very low35.8Very low178 Ų178142.3 Ų142.378%0.78176%0.757SS**  86125.654.9-85.9-56.2000113.4
4L34.7Very low35.9Very low142 Ų142139.2 Ų139.274%0.74375%0.752SS**  trans74154.7145.8-61.7166.9000116.4
5M34.7Very low35.9Very low120 Ų120141.2 Ų141.259%0.59176%0.758SS**  cis-157.3153.412.5-142.5176.3-54.900114.7
6R35.6Very low36.1Very low203 Ų203137.3 Ų137.377%0.76675%0.751SS**  trans64.9127.6150.3-82.5158.8-176.9162.60.5118.9
7D28Very low35.8Very low128 Ų128140.8 Ų140.868%0.68475%0.752SS**  78.2149.261.1-67.2-48.5000112.8
8P47Very low35.6Very low114 Ų114142.3 Ų142.374%0.7475%0.753SS**  cis-115.2168.92015.79.7000115.3
9V35.9Very low35.7Very low119 Ų119140.5 Ų140.572%0.72175%0.751SS**  cis76.1129.844.8142.80000111.7
10I38.7Very low35.6Very low132 Ų132144.2 Ų144.268%0.67776%0.76SS**  cis-155.6175.416.6-132.2172000115
11Q35Very low35.9Very low164 Ų164144.5 Ų144.577%0.76676%0.761SS**  trans-15.8163.7169.8-61.4152-92.500122.3
12G36Very low36.1Very low65 Ų65139.5 Ų139.567%0.6775%0.745SS**  cis152.2-173.5-5.600000115.5
13S39.7Very low36.1Very low122 Ų122142.4 Ų142.485%0.85375%0.754SS**  trans64.5147.6155.3480000122.8
14S38.1Very low36.2Very low99 Ų99145.8 Ų145.869%0.69276%0.761SS**  cis-173.3172.9-18.8-164.60000113.8
15M36.2Very low36.2Very low169 Ų169142.1 Ų142.183%0.83376%0.758SS**  trans84.1143.7158-53.7-50.1-96.800120.5
16A38.1Very low36.8Very low78 Ų78142.6 Ų142.665%0.64577%0.77SS**  cis-164.6167.6-17.200000114.4
17Y32Very low36.4Very low198 Ų198141.4 Ų141.478%0.77677%0.773SS**  trans-43171170.6-66.6-100.6000117.9
18H32.2Very low36.5Very low167 Ų167145.1 Ų145.177%0.77378%0.784SS**  cis-146.9159.225.2-85.8-85.9000114.4
19P37.7Very low36Very low108 Ų108144 Ų14470%0.70178%0.784SS**  trans-92154.1163.236.8-32.8000113.4
20F34Very low35.8Very low215 Ų215145 Ų14594%0.94378%0.782SS**  trans-88.5141.2175.4-75.9-94.1000113.1
21I40.2Very low35.6Very low151 Ų151144.4 Ų144.477%0.77479%0.79SS**  trans-135.5137167.3-64-179.1000107.7
22P41Very low35.5Very low120 Ų120140.2 Ų140.278%0.77978%0.783SS**  trans-74.4156.8-17429.4-36.1000114.4
23H31.1Very low35.3Very low198 Ų198145.1 Ų145.192%0.91779%0.791SS**  trans-66.6150.7-173.1-61.6-92000115.1
24R34.6Very low35Very low250 Ų250148.1 Ų148.194%0.94380%0.796SS**  trans-134.3144.4160.1-161.5171.4-172.2143.40.9108.9
25G35.5Very low34.5Very low65 Ų65147 Ų14767%0.6780%0.8SS**PPolyproline II helixtrans-71.3163.4-174.100000114.5
26P45.7Very low34.3Very low130 Ų130148 Ų14884%0.84480%0.802SS**PPolyproline II helixtrans-79.7151.6-169.932.6-36.5000114
27E27.3Very low34.4Very low178 Ų178152 Ų15283%0.83281%0.807SS**PPolyproline II helixtrans-81156162.1-62.5-177127.200111.2
28F31.4Very low34.7Very low206 Ų206147.6 Ų147.690%0.90480%0.804SS**  trans-137.3127.5149.3-110.9-84.6000107.7
29A34.8Very low35.4Very low90 Ų90144.3 Ų144.374%0.74480%0.797SS**  trans-130123.8-177.600000110.3
30M32.4Very low35.1Very low139 Ų139148.6 Ų148.669%0.68581%0.805SS**  trans-143.2146.8166-59.8-165.9-5100108.3H499M30-H499 PolarHBondContact SD-CE1 3.33Å; M30-H499 PolarHBondContact SD-NE2 3.08Å; M30-H499 VanDerWaalsContact SD-NE2 3.45Å
31S34.1Very low35.2Very low121 Ų121147.9 Ų147.985%0.84680%0.802SS**  trans-122.8135.9175.8-65.80000109.8
32A33.8Very low35.2Very low75 Ų75146.7 Ų146.762%0.6280%0.804SS**  162.1158.3107.900000114
33M30.7Very low34.7Very low169 Ų169145.7 Ų145.783%0.83381%0.806SS**  trans53.9124.3158.255.4-119.2171.900123.9
34L33.9Very low34.7Very low184 Ų184145.2 Ų145.296%0.96381%0.809SS**  trans70.4125144.7-111.468.3000121
35G27.7Very low34.4Very low75 Ų75137.7 Ų137.777%0.77380%0.8SS**  trans160.985.9165.100000116.5
36H32.9Very low34.3Very low190 Ų190142.7 Ų142.788%0.8881%0.811SS**  trans17132.9156.2-85.477.6000122.7
37Q39.7Very low34.1Very low162 Ų162142 Ų14276%0.75781%0.806SS**  trans-60.2155.6152-76.3-85.5-53.900111.6
38P37Very low34.7Very low107 Ų107139.3 Ų139.370%0.69580%0.804SS**  -139148.8108.437.7-28.1000114.8
39P47.5Very low34.6Very low97 Ų97135.8 Ų135.863%0.6381%0.805SS**  trans-94.8152.8172.337.1-33.4000112.6
40F31.8Very low34.4Very low198 Ų198135.4 Ų135.487%0.86881%0.81SS**  trans-143.6118.5161.9-86.9-74.5000112.3
41F36.8Very low34.3Very low201 Ų201134 Ų13488%0.88281%0.813SS**  trans-106.6152.7150.5-83.7-82.9000108
42P40.4Very low34.1Very low125 Ų125136.1 Ų136.181%0.81282%0.815SS**  trans-83.4145.1-174.632.9-34.8000113.1
43A29.7Very low33.9Very low100 Ų100138 Ų13883%0.82682%0.823SS**  trans-138.6144.4162.700000109.2
44L31Very low33.9Very low188 Ų188137.5 Ų137.598%0.98482%0.823SS**  trans-83152.2-178.1-80.3163.4000112
45A29.1Very low34.2Very low92 Ų92134.8 Ų134.876%0.7682%0.816SS**  trans-107.9148.5-168.500000114.1
46L32.7Very low34.2Very low170 Ų170134.6 Ų134.689%0.8981%0.814SS**  trans-139.1147.5152.8-79.4178.1000109.1
47P40.9Very low34.1Very low116 Ų116130.1 Ų130.175%0.75381%0.811SS**  trans-98.8152.8-166.737.3-35.5000114.8
48P39.7Very low33.8Very low121 Ų121131.2 Ų131.279%0.78682%0.821SS**  trans-96.1158.4167.937.2-33.1000112.8
49S31.2Very low33.5Very low131 Ų131129.5 Ų129.592%0.91682%0.823SS**  trans-160.8147.6167.1-77.80000110.9
50G29.9Very low32.9Very low82 Ų82129.7 Ų129.785%0.84581%0.814SS**  trans113.3132.5177.500000113.4
51S29.5Very low33.9Very low109 Ų109122.2 Ų122.276%0.76279%0.785SS**  trans-143.3-176-175.862.20000111.2
52L29.8Very low33.6Very low166 Ų166118.6 Ų118.687%0.86977%0.774SS**  trans78.6149-179.4-42.5178.9000113.5
53S30.4Very low33.2Very low115 Ų115117.2 Ų117.280%0.80476%0.757SS**  cis-144.9171.316.358.20000114.6
54L31.3Very low33.2Very low158 Ų158118 Ų11883%0.82775%0.747SS**  trans-65.4173.5168.1-112.277.5000111.7
55P38.6Very low33.3Very low127 Ų127113.8 Ų113.883%0.82572%0.723SS**  cis-139.1179.933.842.2-23.5000117
56G27.8Very low33.5Very low71 Ų71113 Ų11373%0.73271%0.705SS**  trans-146.5154.5162.700000111
57A32Very low33.4Very low97 Ų97113 Ų11380%0.80270%0.703SS**  trans-161.4138.9169.700000111.4
58L32.9Very low32.8Very low184 Ų184108.7 Ų108.796%0.96368%0.679SS**  trans53.5136.2145.9-153.571.2000120.4
59G31.3Very low32.5Very low72 Ų72107.4 Ų107.474%0.74268%0.679SS**  trans103.6166175.800000113.3
60K33.9Very low32.4Very low100 Ų100105.7 Ų105.744%0.43567%0.673SS.*  trans-160.9-58.1-158.9-162.3170.6-177.8176.30117.5G480 T482K60-G480 VanDerWaalsContact CE-O 3.25Å; K60-G480 WeakPolarHBondContact CE-O 3.39Å; K60-G480 PolarHBondContact NZ-O 3.17Å; K60-T482 VanDerWaalsContact NZ-CG2 3.33Å; K60-T482 PolarHBondContact NZ-OG1 2.9Å
61P52.4Low32.4Very low41 Ų41108.8 Ų108.827%0.26667%0.67SS.*  trans2.7-152.8-149.136.6-18.4000123.9F477 P478P61-F477 HydrophobicContact CB-CB 4.04Å; P61-F477 HydrophobicContact CB-CD1 4.26Å; P61-F477 HydrophobicContact CG-CB 4.21Å; P61-F477 HydrophobicContact CG-CD1 4.35Å; P61-P478 HydrophobicContact CB-CG 3.6Å; P61-P478 WeakPolarHBondContact CB-O 3.49Å; P61-P478 WeakPolarHBondContact CG-O 3.31Å
62I31.3Very low32.5Very low126 Ų126109.9 Ų109.965%0.64667%0.673SS**  trans-166-168.4160.6-49.3-161.3000106.8F477 P478I62-F477 WeakPolarHBondContact O-CD2 3.35Å; I62-F477 VanDerWaalsContact O-CG 3.29Å; I62-F477 WeakPolarHBondContact O-CG 3.14Å; I62-P478 HydrophobicContact CB-CG 4.1Å; I62-P478 HydrophobicContact CG1-CG 4.26Å; I62-P478 HydrophobicContact CG2-CG 3.5Å; I62-P478 VanDerWaalsContact CG2-CG 3.5Å; I62-P478 VanDerWaalsContact N-CD 3.33Å
63M31.1Very low32.4Very low95 Ų95105.1 Ų105.147%0.46866%0.663SS.*  trans74.487.9178-159.8177.4-174.700114G476 F477M63-G476 WeakPolarHBondContact CB-O 3.44Å; M63-F477 WeakPolarHBondContact O-CE2 3.45Å
64D31.3Very low32.5Very low116 Ų116106.7 Ų106.762%0.6266%0.662SS**  71141.478.2-16629000113.9
65Q32Very low32.5Very low101 Ų101107.4 Ų107.447%0.47266%0.661SS.*  trans62.1136.4180-58.6-166.60.800117.7F475Q65-F475 WeakPolarHBondContact O-CD1 3.36Å; Q65-F475 WeakPolarHBondContact O-CE1 3.42Å
66L33.6Very low32Very low74 Ų74110.8 Ų110.839%0.38766%0.663SS.*  cis-153.7163.311.8-15575.7000113.1L472 H473L66-L472 WeakPolarHBondContact CD2-O 3.24Å; L66-H473 HydrophobicContact CB-CB 4.37Å; L66-H473 PolarHBondContact O-CE1 3.2Å
67M29.7Very low32.4Very low171 Ų171112.4 Ų112.484%0.84266%0.663SS**  trans-85.3135.6161.7160.966.9176.300110.8H473M67-H473 PolarHBondContact O-NE2 3.41Å
68G29.2Very low32.2Very low25 Ų25113.1 Ų113.126%0.25866%0.662SS.*  trans157.681.916900000120.3H473G68-H473 WeakPolarHBondContact CA-NE2 3.37Å; G68-H473 PolarHBondContact N-CE1 3.28Å; G68-H473 PolarHBondContact N-NE2 3.48Å; G68-H473 PolarHBondContact O-NE2 3.26Å
69A32.4Very low32.4Very low95 Ų95112.3 Ų112.379%0.78566%0.658SS**  trans63.8159.9138.900000123.1
70A30.7Very low32.3Very low95 Ų95111.9 Ų111.979%0.78565%0.653SS**  trans69.3138.9156.600000118.7
71D29.2Very low32.4Very low146 Ų146116.7 Ų116.778%0.78168%0.676SS**  cis-162.9172.8-12.3-143.8-35000112.2
72T31.1Very low31.6Very low133 Ų133124.1 Ų124.182%0.81671%0.708SS**  trans73.5151.8159.371.20000121.2
73G28.5Very low31.7Very low65 Ų65123 Ų12367%0.6772%0.718SS**  trans103.554.715900000118
74L32.4Very low32.1Very low149 Ų149123.7 Ų123.778%0.7874%0.738SS**  62.6108.987.1-62.6-175.7000117.8
75H30.5Very low32.4Very low172 Ų172123 Ų12380%0.79675%0.749SS**  trans47.8122.9149.9-56.9-79.5000122.4
76F28.7Very low32.6Very low199 Ų199122.4 Ų122.487%0.87376%0.761SS**  -159.9153.8100.9-160.2-106.4000111.5
77S35.9Very low33.1Very low104 Ų104126.7 Ų126.773%0.72778%0.778SS**  trans-108.8136.6-179.6-59.80000111.4
78S29.1Very low33.6Very low112 Ų112126.5 Ų126.578%0.78378%0.78SS**  trans-142.999.5167-160.60000114.1
79L36.8Very low34.2Very low168 Ų168135.1 Ų135.188%0.8881%0.805SS**  trans45.583.2133.5-157.170.9000120.1
80G28.3Very low34.4Very low62 Ų62136.5 Ų136.564%0.63981%0.806SS**  72.3136.6124.300000121.1
81H37Very low34.6Very low201 Ų201140 Ų14093%0.93181%0.811SS**  -155.1152.7112.9-101.877000109.2
82Q34.7Very low34.8Very low197 Ų197142.2 Ų142.292%0.92181%0.813SS**  trans-88.5136176.6-69.8-178.8-6.100111.7
83A33.9Very low34.9Very low104 Ų104142.2 Ų142.286%0.8681%0.813SS**  trans-157.3142.7143.700000108.7
84A39.5Very low35.5Very low109 Ų109146.7 Ų146.790%0.90182%0.821SS**  trans-92.7134.8-172.400000112.9
85A36.4Very low35.7Very low101 Ų101147.5 Ų147.584%0.83582%0.821SS**  trans-140.6134.1166.400000110.9H87A85-H87 PolarHBondContact O-N 3.23Å
86A37.6Very low36.4Very low88 Ų88145 Ų14573%0.72782%0.82SS**  trans-54.1111.4-164.700000116.9L88A86-L88 VanDerWaalsContact C-N 3.31Å; A86-L88 PolarHBondContact O-N 3.21Å
87H42.8Very low37Very low164 Ų164144.4 Ų144.476%0.75982%0.82SS**  28.848.5117.6-153.2-52.8000119A85 R89A85-H87 PolarHBondContact O-N 3.23Å; H87-R89 PolarHBondContact O-N 3.44Å
88L41.1Very low37.6Very low167 Ų167147.5 Ų147.587%0.87482%0.823SS**  trans-75.8107.8166.4-68.6-177000109.9A86A86-L88 VanDerWaalsContact C-N 3.31Å; A86-L88 PolarHBondContact O-N 3.21Å
89R42Very low38.9Very low206 Ų206150.7 Ų150.778%0.77783%0.825SS**PPolyproline II helixtrans-64.1139.1165.6-65.3-177-178.2177.50.4108.4H87 L91H87-R89 PolarHBondContact O-N 3.44Å; R89-L91 PolarHBondContact O-N 2.76Å
90P36.9Very low40Very low125 Ų125145.7 Ų145.781%0.81280%0.801SS**PPolyproline II helixtrans-52.9126.1157.7-22.233.6000108.4K92P90-K92 PolarHBondContact O-N 2.91Å
91L34.2Very low42.2Very low169 Ų169150.9 Ų150.989%0.88581%0.809SS**PPolyproline II helixtrans-58.3137.8167.1-92.1164.9000107.5R89 T93R89-L91 PolarHBondContact O-N 2.76Å; L91-T93 PolarHBondContact O-N 3.25Å
92K33.5Very low44.3Very low192 Ų192141.7 Ų141.784%0.83577%0.767SS**PPolyproline II helixtrans-53.6131.6164.7-72.1-174.1172.1-1690107P90 L94P90-K92 PolarHBondContact O-N 2.91Å; K92-L94 PolarHBondContact O-N 3.2Å; K92-L94 VanDerWaalsContact O-N 3.1Å
93T33.9Very low46.9Very low132 Ų132136.7 Ų136.781%0.8175%0.746SS**  trans-44123155.7-530000106.3L91 E95L91-T93 PolarHBondContact O-N 3.25Å; T93-E95 PolarHBondContact O-N 3.23Å; T93-E95 VanDerWaalsContact O-N 3.13Å
94L40.1Very low49.7Very low160 Ų160132.1 Ų132.184%0.83871%0.708SS**  trans-59.9123.5171.8-69171.5000105.8K92K92-L94 PolarHBondContact O-N 3.2Å; K92-L94 VanDerWaalsContact O-N 3.1Å
95E36.5Very low52.3Low166 Ų166132 Ų13278%0.77669%0.687SS**  trans-43.6144.3156.6-50.2-86.2106.900106.5T93 E97T93-E95 PolarHBondContact O-N 3.23Å; T93-E95 VanDerWaalsContact O-N 3.13Å; E95-E97 PolarHBondContact O-N 3.13Å
96P44.4Very low55.2Low120 Ų120128 Ų12878%0.77965%0.652SS**  trans-49.9122.5157-16.829.9000105.8E98P96-E98 PolarHBondContact O-N 2.8Å
97E43.1Very low58Low185 Ų185128.9 Ų128.986%0.86464%0.641SS**  trans-55.5118.6159-77-158138.800104E95 E99E95-E97 PolarHBondContact O-N 3.13Å; E97-E99 PolarHBondContact O-N 3.1Å
98E47.9Very low60.6Low170 Ų170121.9 Ų121.979%0.79461%0.609SS**  trans-59.993.5173.2-176.8180-14700104.8P96 V100P96-E98 PolarHBondContact O-N 2.8Å; E98-V100 HydrophobicContact CG-CG2 4.38Å; E98-V100 VanDerWaalsContact O-CG2 3.32Å; E98-V100 WeakPolarHBondContact O-CG2 3.17Å; E98-V100 PolarHBondContact O-N 3.44Å
99E55.3Low63.2Low179 Ų179116.5 Ų116.584%0.83658%0.58SS**  trans-69.686.8-178.8-176.5170-16100105E97 E101E97-E99 PolarHBondContact O-N 3.1Å; E99-E101 PolarHBondContact O-N 3.25Å
100V61.3Low65.8Low62 Ų62109.5 Ų109.538%0.37657%0.566SS.*  trans-61.693.7-174.3-177.40000106.7E98 D102 D145 R242E98-V100 HydrophobicContact CG-CG2 4.38Å; E98-V100 VanDerWaalsContact O-CG2 3.32Å; E98-V100 WeakPolarHBondContact O-CG2 3.17Å; E98-V100 PolarHBondContact O-N 3.44Å; V100-D102 PolarHBondContact O-N 3Å; V100-D145 HydrophobicContact CB-CB 4.49Å; V100-D145 HydrophobicContact CG1-CB 4.04Å; V100-R242 PolarHBondContact O-NH1 2.89Å; V100-R242 VanDerWaalsContact O-NH1 3.1Å
101E73.3Confident68.6Low171 Ų171108.2 Ų108.280%0.79955%0.548SS*.  trans-71.6105.9-175.1-175.3169.4-156.100106.8E99 D103E99-E101 PolarHBondContact O-N 3.25Å; E101-D103 PolarHBondContact O-N 2.71Å; E101-D103 VanDerWaalsContact O-N 3.17Å
102D81.4Confident71.6Confident8 Ų8108.1 Ų108.14%0.04354%0.542CS..  trans-60.7123.9175.9-65.5-46.5000108.3V100 P104 D145 Y150 R242 R255V100-D102 PolarHBondContact O-N 3Å; D102-P104 HydrophobicContact CB-CG 4.3Å; D102-P104 WeakPolarHBondContact O-CD 3.23Å; D102-D145 PolarHBondContact OD1-N 3.16Å; D102-Y150 PolarHBondContact OD1-OH 2.96Å; D102-Y150 PolarHBondContact OD2-OH 2.7Å; D102-R242 VanDerWaalsContact CG-NH1 3.27Å; D102-R242 IonicContact OD1-NH1 2.74Å; D102-R242 WeakPolarHBondContact OD2-CD 3.42Å; D102-R242 IonicContact OD2-CZ 3.55Å; D102-R242 IonicContact OD2-NE 3.73Å; D102-R242 IonicContact OD2-NH1 2.57Å; D102-R242 PolarHBondContact OD2-NH1 3.23Å; D102-R255 PolarHBondContact O-NH1 3.04Å; D102-R255 PolarHBondContact O-NH2 3.14Å
103D90.1Very high74.6Confident92 Ų92100.7 Ų100.749%0.49251%0.512SS..  trans-108.466.5164.117522.9000109.5E101 K105 G143E101-D103 PolarHBondContact O-N 2.71Å; E101-D103 VanDerWaalsContact O-N 3.17Å; D103-K105 PolarHBondContact O-N 3.06Å; D103-K105 VanDerWaalsContact OD1-CE 3.27Å; D103-K105 WeakPolarHBondContact OD1-CE 3.21Å; D103-K105 IonicContact OD1-NZ 3.53Å; D103-K105 VanDerWaalsContact OD2-CE 3.26Å; D103-K105 WeakPolarHBondContact OD2-CE 3.27Å; D103-K105 IonicContact OD2-NZ 3.54Å; D103-K105 PolarHBondContact OD2-NZ 3.23Å; D103-G143 CarbonylContact C-O 3.58Å; D103-G143 VanDerWaalsContact C-O 3.31Å; D103-G143 PolarHBondContact N-O 2.86Å; D103-G143 WeakPolarHBondContact O-CA 3.11Å
104P92.1Very high77.6Confident9 Ų994.4 Ų94.46%0.05847%0.473CS..  trans-72.7115.7-171.823.7-25.5000110.6D102 T142 L144 I240 Y257D102-P104 HydrophobicContact CB-CG 4.3Å; D102-P104 WeakPolarHBondContact O-CD 3.23Å; P104-T142 CarbonylContact C-O 3.58Å; P104-T142 WeakPolarHBondContact CA-O 3.29Å; P104-L144 HydrophobicContact CB-CD2 3.79Å; P104-I240 HydrophobicContact CB-CD1 3.91Å; P104-Y257 WeakPolarHBondContact CB-OH 3.39Å; P104-Y257 VanDerWaalsContact CG-OH 3.24Å; P104-Y257 WeakPolarHBondContact CG-OH 3.15Å; P104-Y257 WeakPolarHBondContact O-CE1 3.09Å; P104-Y257 PolarHBondContact O-OH 3.17Å
105K93.9Very high80.4Confident105 Ų10590.8 Ų90.846%0.45745%0.452SS..EExtended strand (participates in β ladder)trans-104.8140176.3-77.4152.2177.1163.20109.4D103 C141 T142D103-K105 PolarHBondContact O-N 3.06Å; D103-K105 VanDerWaalsContact OD1-CE 3.27Å; D103-K105 WeakPolarHBondContact OD1-CE 3.21Å; D103-K105 IonicContact OD1-NZ 3.53Å; D103-K105 VanDerWaalsContact OD2-CE 3.26Å; D103-K105 WeakPolarHBondContact OD2-CE 3.27Å; D103-K105 IonicContact OD2-NZ 3.54Å; D103-K105 PolarHBondContact OD2-NZ 3.23Å; K105-C141 CarbonylContact O-C 3.6Å; K105-C141 WeakPolarHBondContact O-CA 3.25Å; K105-T142 WeakPolarHBondContact CB-OG1 3.24Å; K105-T142 PolarHBondContact N-O 2.73Å; K105-T142 PolarHBondContact O-N 2.57Å; K105-T142 PolarHBondContact O-OG1 3.06Å
106V97.1Very high83.3Confident18 Ų1886 Ų8611%0.10943%0.431CS..EExtended strand (participates in β ladder)trans-132.5120.7-172.6-173.50000108.9V139 R140 F238 I240 Y257 F259V106-V139 HydrophobicContact CG1-CB 3.68Å; V106-V139 HydrophobicContact CG1-CG1 3.86Å; V106-V139 HydrophobicContact CG1-CG2 4.1Å; V106-R140 WeakPolarHBondContact CA-O 3.38Å; V106-F238 HydrophobicContact CB-CE1 4.44Å; V106-F238 HydrophobicContact CG1-CD1 3.73Å; V106-F238 HydrophobicContact CG1-CE1 3.7Å; V106-F238 HydrophobicContact CG2-CD1 4.23Å; V106-F238 HydrophobicContact CG2-CE1 3.83Å; V106-I240 HydrophobicContact CG2-CD1 3.7Å; V106-Y257 HydrophobicContact CB-CD1 3.77Å; V106-Y257 HydrophobicContact CB-CE1 4.08Å; V106-Y257 HydrophobicContact CB-CG 4.03Å; V106-Y257 HydrophobicContact CG2-CD1 3.6Å; V106-Y257 HydrophobicContact CG2-CD2 3.81Å; V106-Y257 HydrophobicContact CG2-CE1 3.52Å; V106-Y257 HydrophobicContact CG2-CE2 3.77Å; V106-Y257 HydrophobicContact CG2-CG 3.75Å; V106-F259 HydrophobicContact CB-CZ 4.34Å; V106-F259 HydrophobicContact CG1-CE2 4.18Å; V106-F259 HydrophobicContact CG1-CZ 3.91Å
107H96.8Very high85.8Confident106 Ų10680.3 Ų80.349%0.49139%0.394SS..EExtended strand (participates in β ladder)trans-111.4128.6-179.3-57.8-86.6000110E109 V139 R140H107-E109 PolarHBondContact O-N 2.74Å; H107-V139 CarbonylContact O-C 3.58Å; H107-V139 VanDerWaalsContact O-CA 3.29Å; H107-V139 WeakPolarHBondContact O-CA 3.32Å; H107-R140 PolarHBondContact N-O 2.63Å; H107-R140 PolarHBondContact O-N 2.74Å
108L97.4Very high88.4Confident17 Ų1775.2 Ų75.29%0.08937%0.371CS..EExtended strand (participates in β ladder)trans-71.8122.6174.4-176.469.6000110.2K111 W114 F137 V139 F259 E261 T262L108-K111 HydrophobicContact CD2-CB 4.39Å; L108-K111 HydrophobicContact CD2-CG 4.38Å; L108-W114 HydrophobicContact CD2-CB 4.22Å; L108-W114 HydrophobicContact CD2-CG 4.04Å; L108-F137 HydrophobicContact CD1-CD2 4.45Å; L108-F137 HydrophobicContact CD1-CE2 4.21Å; L108-V139 HydrophobicContact CD1-CG1 4.45Å; L108-F259 HydrophobicContact CB-CD1 3.83Å; L108-F259 HydrophobicContact CB-CE1 3.87Å; L108-F259 HydrophobicContact CB-CG 4.19Å; L108-F259 HydrophobicContact CB-CZ 4.26Å; L108-F259 HydrophobicContact CD1-CD2 4.34Å; L108-F259 HydrophobicContact CD1-CG 4.41Å; L108-F259 HydrophobicContact CD2-CB 4.24Å; L108-F259 HydrophobicContact CD2-CD1 4.44Å; L108-F259 HydrophobicContact CD2-CG 4.34Å; L108-E261 HydrophobicContact CD2-CG 3.66Å; L108-E261 WeakPolarHBondContact CD2-OE1 3.3Å; L108-T262 HydrophobicContact CD1-CG2 3.86Å; L108-T262 HydrophobicContact CD2-CG2 3.57Å; L108-T262 HydrophobicContact CG-CG2 4.4Å
109E96.8Very high90.7Very high55 Ų5575.3 Ų75.326%0.25737%0.368SS..THydrogen-bonded Turntrans-80.6138.7177.9-77.7-80.3179.700111H107 K138 R140 V202H107-E109 PolarHBondContact O-N 2.74Å; E109-K138 HydrophobicContact CB-CB 3.74Å; E109-K138 HydrophobicContact CG-CB 4.49Å; E109-K138 PolarHBondContact N-O 3.1Å; E109-R140 HydrophobicContact CG-CB 4.44Å; E109-R140 IonicContact OE1-CZ 2.76Å; E109-R140 IonicContact OE1-NE 3.29Å; E109-R140 PolarHBondContact OE1-NE 2.83Å; E109-R140 IonicContact OE1-NH2 3.29Å; E109-R140 PolarHBondContact OE1-NH2 3.1Å; E109-V202 HydrophobicContact CB-CG1 4.48Å; E109-V202 HydrophobicContact CG-CG1 3.86Å; E109-V202 HydrophobicContact CG-CG2 4.07Å; E109-V202 WeakPolarHBondContact OE1-CG2 3.24Å
110A94.7Very high92.6Very high59 Ų5971.1 Ų71.149%0.48835%0.347SS..THydrogen-bonded Turntrans55.940.9-172.400000114.5E112 L113 W114A110-E112 VanDerWaalsContact C-N 3.31Å; A110-E112 PolarHBondContact O-N 2.83Å; A110-L113 HydrophobicContact CB-CB 4.44Å; A110-L113 WeakPolarHBondContact O-CB 3.33Å; A110-L113 PolarHBondContact O-N 3.23Å; A110-W114 PolarHBondContact O-N 2.81Å
111K96.3Very high94.2Very high98 Ų9869.4 Ų69.443%0.42634%0.342SS..Hα-helixtrans-49.8-43.6178.6-176.4167-176.4-75.80114.1L108 L113 W114 E115 E261L108-K111 HydrophobicContact CD2-CB 4.39Å; L108-K111 HydrophobicContact CD2-CG 4.38Å; K111-L113 PolarHBondContact O-N 2.66Å; K111-W114 WeakPolarHBondContact O-CA 3.04Å; K111-W114 WeakPolarHBondContact O-CB 3.24Å; K111-W114 PolarHBondContact O-N 3.26Å; K111-E115 HydrophobicContact CG-CG 4.43Å; K111-E115 IonicContact NZ-OE1 3.68Å; K111-E115 PolarHBondContact NZ-OE1 3.2Å; K111-E115 WeakPolarHBondContact O-CG 3.32Å; K111-E115 PolarHBondContact O-N 2.82Å; K111-E261 WeakPolarHBondContact CE-OE1 3.26Å; K111-E261 HydrophobicContact CG-CG 4.49Å
112E97.1Very high95.4Very high166 Ų16661.3 Ų61.378%0.77631%0.305SS*.Hα-helixtrans-55.3-37.2176.9-61.9171.6-174.900113.1A110 L116A110-E112 VanDerWaalsContact C-N 3.31Å; A110-E112 PolarHBondContact O-N 2.83Å; E112-L116 WeakPolarHBondContact O-CB 3.45Å; E112-L116 PolarHBondContact O-N 3.24Å
113L97Very high96.2Very high36 Ų3661 Ų6119%0.18830%0.303CS..Hα-helixtrans-72.5-36.7177.6-177.561.4000111.3A110 K111 L116 F117 F134 P135 H282A110-L113 HydrophobicContact CB-CB 4.44Å; A110-L113 WeakPolarHBondContact O-CB 3.33Å; A110-L113 PolarHBondContact O-N 3.23Å; K111-L113 PolarHBondContact O-N 2.66Å; L113-L116 HydrophobicContact CD1-CD2 4.45Å; L113-L116 PolarHBondContact O-N 2.88Å; L113-F117 HydrophobicContact CD1-CD2 4.21Å; L113-F117 HydrophobicContact CD1-CE2 3.83Å; L113-F117 HydrophobicContact CG-CD2 4.27Å; L113-F117 HydrophobicContact CG-CE2 4.1Å; L113-F117 VanDerWaalsContact O-CD2 3.25Å; L113-F117 WeakPolarHBondContact O-CD2 3.48Å; L113-F117 PolarHBondContact O-N 3.3Å; L113-F134 HydrophobicContact CD2-CZ 4.39Å; L113-P135 HydrophobicContact CD2-CB 4.19Å; L113-P135 HydrophobicContact CD2-CG 4.02Å; L113-P135 HydrophobicContact CG-CG 3.9Å; L113-H282 HydrophobicContact CD1-CB 3.99Å; L113-H282 HydrophobicContact CD2-CB 4.42Å
114W97.9Very high96.6Very high1 Ų156.8 Ų56.80%0.00428%0.28CS..Hα-helixtrans-63.7-46.8172.3-78.6103.7000111.4L108 A110 K111 L116 F117 H118 T122 M124 P135 F137 E261 T262L108-W114 HydrophobicContact CD2-CB 4.22Å; L108-W114 HydrophobicContact CD2-CG 4.04Å; A110-W114 PolarHBondContact O-N 2.81Å; K111-W114 WeakPolarHBondContact O-CA 3.04Å; K111-W114 WeakPolarHBondContact O-CB 3.24Å; K111-W114 PolarHBondContact O-N 3.26Å; W114-L116 VanDerWaalsContact C-N 3.29Å; W114-L116 PolarHBondContact O-N 2.74Å; W114-F117 PolarHBondContact O-N 3.33Å; W114-F117 VanDerWaalsContact O-N 3.1Å; W114-H118 WeakPolarHBondContact O-CB 3.16Å; W114-H118 PolarHBondContact O-N 2.77Å; W114-T122 HydrophobicContact CZ3-CG2 4.47Å; W114-M124 HydrophobicContact CH2-CE 3.58Å; W114-M124 HydrophobicContact CZ3-CE 3.66Å; W114-P135 HydrophobicContact CD2-CB 4.18Å; W114-P135 HydrophobicContact CD2-CG 4.1Å; W114-P135 HydrophobicContact CE3-CG 4.39Å; W114-P135 HydrophobicContact CG-CG 4.48Å; W114-P135 WeakPolarHBondContact CH2-O 3.49Å; W114-P135 HydrophobicContact CZ2-CB 3.92Å; W114-P135 VanDerWaalsContact CZ2-O 3.28Å; W114-P135 WeakPolarHBondContact CZ2-O 3.42Å; W114-F137 HydrophobicContact CZ2-CB 4.36Å; W114-F137 HydrophobicContact CZ2-CD2 4.48Å; W114-E261 HydrophobicContact CB-CG 4.05Å; W114-T262 HydrophobicContact CD2-CG2 3.79Å; W114-T262 HydrophobicContact CE3-CG2 3.93Å; W114-T262 HydrophobicContact CG-CG2 4.17Å; W114-T262 HydrophobicContact CH2-CG2 4.48Å; W114-T262 HydrophobicContact CZ2-CG2 4.38Å; W114-T262 HydrophobicContact CZ3-CG2 4.27Å
115E97.8Very high96.9Very high83 Ų8357.5 Ų57.539%0.38828%0.284SS..Hα-helixtrans-57.4-39.8174.7-70174.9176.500112.5K111 F117 H118 K119 E261K111-E115 HydrophobicContact CG-CG 4.43Å; K111-E115 IonicContact NZ-OE1 3.68Å; K111-E115 PolarHBondContact NZ-OE1 3.2Å; K111-E115 WeakPolarHBondContact O-CG 3.32Å; K111-E115 PolarHBondContact O-N 2.82Å; E115-F117 VanDerWaalsContact C-N 3.35Å; E115-F117 PolarHBondContact O-N 3.47Å; E115-H118 PolarHBondContact O-N 2.86Å; E115-K119 WeakPolarHBondContact O-CB 3.45Å; E115-K119 PolarHBondContact O-N 2.94Å; E115-E261 HydrophobicContact CG-CB 4.34Å
116L97.1Very high97Very high66 Ų6652.6 Ų52.635%0.34626%0.263SS..Hα-helixtrans-63.6-36.7176.4-177.559.4000112.8E112 L113 W114 L278E112-L116 WeakPolarHBondContact O-CB 3.45Å; E112-L116 PolarHBondContact O-N 3.24Å; L113-L116 HydrophobicContact CD1-CD2 4.45Å; L113-L116 PolarHBondContact O-N 2.88Å; W114-L116 VanDerWaalsContact C-N 3.29Å; W114-L116 PolarHBondContact O-N 2.74Å; L116-L278 HydrophobicContact CD1-CD2 4.33Å; L116-L278 HydrophobicContact CD2-CD2 3.7Å; L116-L278 HydrophobicContact CG-CD1 4.14Å; L116-L278 HydrophobicContact CG-CD2 3.87Å
117F97.5Very high96.9Very high0 Ų053.7 Ų53.70%027%0.27CS..Hα-helixtrans-73.9-45.7172.1-82.1-71000112.2L113 W114 E115 K119 K120 G121 T122 F134 P135 I275 L278 K279L113-F117 HydrophobicContact CD1-CD2 4.21Å; L113-F117 HydrophobicContact CD1-CE2 3.83Å; L113-F117 HydrophobicContact CG-CD2 4.27Å; L113-F117 HydrophobicContact CG-CE2 4.1Å; L113-F117 VanDerWaalsContact O-CD2 3.25Å; L113-F117 WeakPolarHBondContact O-CD2 3.48Å; L113-F117 PolarHBondContact O-N 3.3Å; W114-F117 PolarHBondContact O-N 3.33Å; W114-F117 VanDerWaalsContact O-N 3.1Å; E115-F117 VanDerWaalsContact C-N 3.35Å; E115-F117 PolarHBondContact O-N 3.47Å; F117-K119 VanDerWaalsContact C-N 3.32Å; F117-K119 PolarHBondContact O-N 3.05Å; F117-K120 CarbonylContact O-C 3.6Å; F117-K120 WeakPolarHBondContact O-CA 3.06Å; F117-K120 PolarHBondContact O-N 2.96Å; F117-G121 PolarHBondContact O-N 2.91Å; F117-T122 HydrophobicContact CB-CG2 4.15Å; F117-T122 PolarHBondContact O-N 2.9Å; F117-F134 HydrophobicContact CE2-CD1 4.26Å; F117-F134 AromaticContact CE2-CE1 3.88Å; F117-F134 HydrophobicContact CE2-CE1 3.88Å; F117-F134 HydrophobicContact CZ-CD1 4.14Å; F117-F134 AromaticContact CZ-CE1 3.92Å; F117-F134 HydrophobicContact CZ-CE1 3.92Å; F117-P135 HydrophobicContact CD2-CG 3.47Å; F117-P135 VanDerWaalsContact CD2-CG 3.47Å; F117-P135 HydrophobicContact CE2-CG 3.66Å; F117-I275 HydrophobicContact CD1-CD1 3.85Å; F117-I275 HydrophobicContact CD1-CG2 4.27Å; F117-I275 HydrophobicContact CE1-CG2 4.22Å; F117-L278 HydrophobicContact CD1-CB 4.19Å; F117-L278 HydrophobicContact CD1-CD1 4.32Å; F117-L278 HydrophobicContact CE1-CB 3.44Å; F117-L278 VanDerWaalsContact CE1-CB 3.44Å; F117-L278 HydrophobicContact CE1-CD1 4.37Å; F117-L278 HydrophobicContact CZ-CB 3.7Å; F117-K279 HydrophobicContact CD1-CD 4.47Å; F117-K279 HydrophobicContact CE1-CD 3.55Å; F117-K279 HydrophobicContact CE1-CG 3.92Å; F117-K279 HydrophobicContact CZ-CD 3.75Å; F117-K279 HydrophobicContact CZ-CG 4.28Å
118H97.3Very high96.7Very high79 Ų7956.3 Ų56.337%0.36628%0.28SS..Hα-helixtrans-58.7-42.6-179.9-179.880.1000111.4W114 E115 K120 G121 T122 D263W114-H118 WeakPolarHBondContact O-CB 3.16Å; W114-H118 PolarHBondContact O-N 2.77Å; E115-H118 PolarHBondContact O-N 2.86Å; H118-K120 PolarHBondContact O-N 2.62Å; H118-G121 PolarHBondContact O-N 2.89Å; H118-T122 WeakPolarHBondContact CA-OG1 3.47Å; H118-T122 PolarHBondContact N-OG1 3.44Å; H118-D263 IonicContact CE1-OD1 3.91Å; H118-D263 PolarHBondContact CE1-OD1 2.92Å; H118-D263 VanDerWaalsContact CE1-OD1 3.29Å; H118-D263 IonicContact CE1-OD2 3.9Å; H118-D263 IonicContact ND1-OD1 3.45Å; H118-D263 PolarHBondContact ND1-OD1 3Å; H118-D263 IonicContact ND1-OD2 3.21Å
119K96.9Very high96.3Very high172 Ų17259.7 Ų59.775%0.74831%0.305SS*.THydrogen-bonded Turntrans-60.4-11.3173.4-172.7167.5-175.6171.50114.6E115 F117E115-K119 WeakPolarHBondContact O-CB 3.45Å; E115-K119 PolarHBondContact O-N 2.94Å; F117-K119 VanDerWaalsContact C-N 3.32Å; F117-K119 PolarHBondContact O-N 3.05Å
120K94.6Very high96.1Very high90 Ų9057.5 Ų57.539%0.39130%0.297SS..THydrogen-bonded Turntrans-114.73.1174.6-57.8-58.3178.3-171.10113.2F117 H118 N272 I275 L278F117-K120 CarbonylContact O-C 3.6Å; F117-K120 WeakPolarHBondContact O-CA 3.06Å; F117-K120 PolarHBondContact O-N 2.96Å; H118-K120 PolarHBondContact O-N 2.62Å; K120-N272 PolarHBondContact O-ND2 2.79Å; K120-I275 HydrophobicContact CB-CD1 3.56Å; K120-I275 HydrophobicContact CB-CG1 4.23Å; K120-L278 HydrophobicContact CB-CD1 4.48Å; K120-L278 HydrophobicContact CG-CD1 3.87Å
121G95.6Very high96.1Very high26 Ų2660.9 Ų60.927%0.26830%0.297SS..  trans73.893.6-170.100000110.7F117 H118 E123 I275F117-G121 PolarHBondContact O-N 2.91Å; H118-G121 PolarHBondContact O-N 2.89Å; G121-E123 PolarHBondContact O-N 3.33Å; G121-I275 WeakPolarHBondContact O-CD1 3.36Å; G121-I275 WeakPolarHBondContact O-CG1 3.42Å
122T98.1Very high96.1Very high2 Ų262.7 Ų62.71%0.01230%0.302CS..  trans-58.3127.8-175.5-50.40000111.6W114 F117 H118 M124 D263 F264 I265W114-T122 HydrophobicContact CZ3-CG2 4.47Å; F117-T122 HydrophobicContact CB-CG2 4.15Å; F117-T122 PolarHBondContact O-N 2.9Å; H118-T122 WeakPolarHBondContact CA-OG1 3.47Å; H118-T122 PolarHBondContact N-OG1 3.44Å; T122-M124 HydrophobicContact CG2-CE 4.05Å; T122-D263 WeakPolarHBondContact CB-O 3.48Å; T122-D263 PolarHBondContact OG1-O 2.85Å; T122-F264 HydrophobicContact CG2-CB 3.69Å; T122-F264 CarbonylContact O-C 3.59Å; T122-F264 VanDerWaalsContact O-CA 3.22Å; T122-F264 WeakPolarHBondContact O-CA 3.34Å; T122-F264 WeakPolarHBondContact O-CB 3.11Å; T122-I265 PolarHBondContact O-N 3.33Å
123E98.3Very high96.1Very high0 Ų055.5 Ų55.50%027%0.268CS..EExtended strand (participates in β ladder)trans-112140.3171.6-58.2175.7-165.600110.8G121 W171 I265 V267 Y270 Q271 N272 I275 K279G121-E123 PolarHBondContact O-N 3.33Å; E123-W171 HydrophobicContact CG-CZ2 3.99Å; E123-I265 WeakPolarHBondContact CA-O 3.37Å; E123-V267 HydrophobicContact CB-CG2 4.1Å; E123-Y270 HydrophobicContact CB-CD1 4.07Å; E123-Y270 HydrophobicContact CB-CE1 4.45Å; E123-Y270 WeakPolarHBondContact OE2-CA 3.26Å; E123-Q271 PolarHBondContact OE2-N 3.27Å; E123-N272 WeakPolarHBondContact OE1-CB 3.49Å; E123-N272 PolarHBondContact OE1-N 2.94Å; E123-I275 HydrophobicContact CB-CG2 4.08Å; E123-I275 HydrophobicContact CG-CG1 4.33Å; E123-I275 HydrophobicContact CG-CG2 4.41Å; E123-K279 WeakPolarHBondContact O-CE 3.49Å; E123-K279 PolarHBondContact O-NZ 3.26Å
124M98.3Very high96.1Very high4 Ų455.1 Ų55.12%0.0227%0.265CS..EExtended strand (participates in β ladder)trans-123.3123.5171.2-64.5-67.7-176.200110.1W114 T122 M133 F134 L210 F264 I265 V267W114-M124 HydrophobicContact CH2-CE 3.58Å; W114-M124 HydrophobicContact CZ3-CE 3.66Å; T122-M124 HydrophobicContact CG2-CE 4.05Å; M124-M133 HydrophobicContact CE-CB 4.18Å; M124-M133 HydrophobicContact SD-CB 4.03Å; M124-M133 HydrophobicContact SD-CG 4.43Å; M124-F134 WeakPolarHBondContact CE-O 3.07Å; M124-F134 VanDerWaalsContact SD-O 3.39Å; M124-L210 HydrophobicContact CB-CD1 3.74Å; M124-L210 HydrophobicContact CG-CD1 4.3Å; M124-F264 HydrophobicContact CB-CD2 3.53Å; M124-F264 HydrophobicContact CB-CE2 3.74Å; M124-F264 HydrophobicContact CB-CG 4.12Å; M124-F264 HydrophobicContact CB-CZ 4.47Å; M124-F264 HydrophobicContact CG-CB 3.85Å; M124-F264 HydrophobicContact CG-CD1 3.93Å; M124-F264 HydrophobicContact CG-CD2 3.43Å; M124-F264 VanDerWaalsContact CG-CD2 3.43Å; M124-F264 HydrophobicContact CG-CE1 4.3Å; M124-F264 HydrophobicContact CG-CE2 3.86Å; M124-F264 HydrophobicContact CG-CG 3.47Å; M124-F264 VanDerWaalsContact CG-CG 3.47Å; M124-F264 HydrophobicContact CG-CZ 4.28Å; M124-I265 PolarHBondContact N-O 3.15Å; M124-V267 PolarHBondContact O-N 3.15Å
125V97.9Very high96Very high24 Ų2455.1 Ų55.115%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-73.1131.8177.51720000110.4T127 R131 V267 Y270V125-T127 HydrophobicContact CG1-CG2 4.05Å; V125-R131 HydrophobicContact CB-CG 4.33Å; V125-R131 HydrophobicContact CG1-CG 4.31Å; V125-R131 VanDerWaalsContact O-CB 3.25Å; V125-R131 WeakPolarHBondContact O-CB 3.45Å; V125-R131 VanDerWaalsContact O-CG 3.27Å; V125-R131 WeakPolarHBondContact O-CG 3.3Å; V125-V267 CarbonylContact C-O 3.59Å; V125-V267 VanDerWaalsContact CA-O 3.22Å; V125-V267 WeakPolarHBondContact CA-O 3.4Å; V125-V267 HydrophobicContact CG2-CG2 4.2Å; V125-Y270 HydrophobicContact CG2-CD1 3.86Å; V125-Y270 HydrophobicContact CG2-CD2 4.29Å; V125-Y270 HydrophobicContact CG2-CE1 3.52Å; V125-Y270 HydrophobicContact CG2-CE2 3.98Å; V125-Y270 HydrophobicContact CG2-CG 4.23Å
126I96.1Very high96Very high3 Ų352.7 Ų52.72%0.01526%0.257CS..  trans-112.6140.1174.470.2179.1000110.3L210 N212 L228 A266 V267I126-L210 HydrophobicContact CB-CB 4.4Å; I126-L210 HydrophobicContact CG2-CB 3.67Å; I126-L210 HydrophobicContact CG2-CD1 4.33Å; I126-N212 HydrophobicContact CD1-CB 3.73Å; I126-N212 HydrophobicContact CG1-CB 4.05Å; I126-L228 WeakPolarHBondContact CD1-O 3.22Å; I126-L228 HydrophobicContact CG2-CD1 4.48Å; I126-A266 HydrophobicContact CD1-CB 4.3Å; I126-A266 HydrophobicContact CG2-CB 3.96Å; I126-V267 PolarHBondContact N-O 2.88Å
127T95.5Very high96Very high41 Ų4149.6 Ų49.625%0.25224%0.24SC..  trans-139.2154.5-177.965.10000111.8V125 S129 G130 R131 L210 T211V125-T127 HydrophobicContact CG1-CG2 4.05Å; T127-S129 PolarHBondContact O-N 3.41Å; T127-S129 VanDerWaalsContact O-N 3.07Å; T127-G130 WeakPolarHBondContact O-CA 3.4Å; T127-G130 PolarHBondContact O-N 3.35Å; T127-G130 PolarHBondContact OG1-N 3.45Å; T127-R131 HydrophobicContact CG2-CB 4.17Å; T127-L210 PolarHBondContact N-O 2.95Å; T127-T211 VanDerWaalsContact O-CA 3.28Å; T127-T211 WeakPolarHBondContact O-CA 3.3Å; T127-T211 VanDerWaalsContact O-CB 3.3Å; T127-T211 WeakPolarHBondContact O-CB 3.43Å; T127-T211 PolarHBondContact O-OG1 3.23Å
128K92.1Very high95.9Very high160 Ų16053.1 Ų53.170%0.69626%0.256SS*.THydrogen-bonded Turntrans-51.7-35.2-179.2-173.7178.7-179.9179.20113.9T211 N212 N213K128-T211 PolarHBondContact O-OG1 2.98Å; K128-N212 WeakPolarHBondContact CA-OD1 3.25Å; K128-N212 PolarHBondContact N-OD1 3.38Å; K128-N212 VanDerWaalsContact N-OD1 3.15Å; K128-N213 HydrophobicContact CG-CB 4.18Å
129S90.2Very high96Very high89 Ų8949.3 Ų49.362%0.62224%0.238SC*.THydrogen-bonded Turntrans-91.91.7179.653.30000115T127 K209T127-S129 PolarHBondContact O-N 3.41Å; T127-S129 VanDerWaalsContact O-N 3.07Å; S129-K209 PolarHBondContact O-NZ 2.9Å
130G92.3Very high96Very high9 Ų946.3 Ų46.39%0.09322%0.222CC..  trans79.8124.7-179.300000114.1T127 K209 L210T127-G130 WeakPolarHBondContact O-CA 3.4Å; T127-G130 PolarHBondContact O-N 3.35Å; T127-G130 PolarHBondContact OG1-N 3.45Å; G130-K209 WeakPolarHBondContact O-CE 3.5Å; G130-L210 WeakPolarHBondContact CA-O 3.46Å
131R95.3Very high96.1Very high130 Ų13042 Ų4249%0.49120%0.204SC..EExtended strand (participates in β ladder)trans-112.4132.4-178-175.468177.5-170.9-1.4111.1V125 T127 K209 L210V125-R131 HydrophobicContact CB-CG 4.33Å; V125-R131 HydrophobicContact CG1-CG 4.31Å; V125-R131 VanDerWaalsContact O-CB 3.25Å; V125-R131 WeakPolarHBondContact O-CB 3.45Å; V125-R131 VanDerWaalsContact O-CG 3.27Å; V125-R131 WeakPolarHBondContact O-CG 3.3Å; T127-R131 HydrophobicContact CG2-CB 4.17Å; R131-K209 CarbonylContact O-C 3.48Å; R131-K209 WeakPolarHBondContact O-CA 3.29Å; R131-L210 PolarHBondContact N-O 3.01Å; R131-L210 PolarHBondContact O-N 3.33Å
132R95.6Very high96.1Very high136 Ų13643.4 Ų43.451%0.51321%0.207SC..EExtended strand (participates in β ladder)trans-68.6142.7175.8-70.3177.7172.2171.9-0.7111.4H206 K209R132-H206 WeakPolarHBondContact CD-O 3.28Å; R132-H206 WeakPolarHBondContact CG-O 3.47Å; R132-H206 PolarHBondContact NE-O 3.38Å; R132-K209 HydrophobicContact CG-CG 4.36Å
133M96.4Very high95.9Very high15 Ų1545 Ų457%0.07422%0.223CC..  trans-65.3147.9174.9-59.7-165.9-64.100112M124 P135 F137 M154 I156 L208 L210 F264M124-M133 HydrophobicContact CE-CB 4.18Å; M124-M133 HydrophobicContact SD-CB 4.03Å; M124-M133 HydrophobicContact SD-CG 4.43Å; M133-P135 CarbonylContact C-O 3.5Å; M133-F137 HydrophobicContact CE-CB 3.76Å; M133-M154 HydrophobicContact CE-CE 3.59Å; M133-I156 HydrophobicContact SD-CD1 4.24Å; M133-L208 HydrophobicContact CE-CD2 4.36Å; M133-L208 HydrophobicContact SD-CD2 4.48Å; M133-L210 HydrophobicContact CG-CD1 3.79Å; M133-L210 HydrophobicContact CG-CD2 4.28Å; M133-L210 HydrophobicContact CG-CG 3.92Å; M133-L210 HydrophobicContact SD-CD1 4.2Å; M133-L210 HydrophobicContact SD-CD2 4.28Å; M133-L210 HydrophobicContact SD-CG 4.47Å; M133-F264 HydrophobicContact SD-CE1 4.39Å
134F97.2Very high95.7Very high27 Ų2745.4 Ų45.412%0.11823%0.226CC..SBendtrans-143.2122167.2-173.3-86.7000110.2L113 F117 M124 K279 H282 N283L113-F134 HydrophobicContact CD2-CZ 4.39Å; F117-F134 HydrophobicContact CE2-CD1 4.26Å; F117-F134 AromaticContact CE2-CE1 3.88Å; F117-F134 HydrophobicContact CE2-CE1 3.88Å; F117-F134 HydrophobicContact CZ-CD1 4.14Å; F117-F134 AromaticContact CZ-CE1 3.92Å; F117-F134 HydrophobicContact CZ-CE1 3.92Å; M124-F134 WeakPolarHBondContact CE-O 3.07Å; M124-F134 VanDerWaalsContact SD-O 3.39Å; F134-K279 HydrophobicContact CD1-CD 3.81Å; F134-K279 PolarHBondContact O-NZ 2.84Å; F134-H282 HydrophobicContact CE1-CB 3.9Å; F134-H282 VanDerWaalsContact CZ-C 3.4Å; F134-H282 HydrophobicContact CZ-CB 3.81Å; F134-H282 WeakPolarHBondContact CZ-O 3.45Å; F134-N283 HydrophobicContact CD1-CB 4.1Å; F134-N283 HydrophobicContact CD2-CB 3.9Å; F134-N283 HydrophobicContact CE1-CB 3.96Å; F134-N283 HydrophobicContact CE2-CB 3.75Å; F134-N283 HydrophobicContact CG-CB 4.08Å; F134-N283 HydrophobicContact CZ-CB 3.8Å
135P97.2Very high95.6Very high2 Ų246.5 Ų46.51%0.01323%0.231CC..SBendcis-61.4153.92.5-20.833.5000113.1L113 W114 F117 M133L113-P135 HydrophobicContact CD2-CB 4.19Å; L113-P135 HydrophobicContact CD2-CG 4.02Å; L113-P135 HydrophobicContact CG-CG 3.9Å; W114-P135 HydrophobicContact CD2-CB 4.18Å; W114-P135 HydrophobicContact CD2-CG 4.1Å; W114-P135 HydrophobicContact CE3-CG 4.39Å; W114-P135 HydrophobicContact CG-CG 4.48Å; W114-P135 WeakPolarHBondContact CH2-O 3.49Å; W114-P135 HydrophobicContact CZ2-CB 3.92Å; W114-P135 VanDerWaalsContact CZ2-O 3.28Å; W114-P135 WeakPolarHBondContact CZ2-O 3.42Å; F117-P135 HydrophobicContact CD2-CG 3.47Å; F117-P135 VanDerWaalsContact CD2-CG 3.47Å; F117-P135 HydrophobicContact CE2-CG 3.66Å; M133-P135 CarbonylContact C-O 3.5Å
136P96.3Very high95.5Very high32 Ų3251.4 Ų51.421%0.20825%0.251CS..PPolyproline II helixtrans-72.2129175.329.5-32.9000109.4K138 H206P136-K138 HydrophobicContact CG-CD 4.33Å; P136-K138 PolarHBondContact O-N 3.15Å; P136-H206 HydrophobicContact CB-CB 4.14Å
137F97.2Very high95.4Very high1 Ų160.1 Ų60.10%0.00429%0.289CS..PPolyproline II helixtrans-66.4120.1174.6-168.9-81.7000109.8L108 W114 M133 V139 M154 F205 P236 F238 F259 T262L108-F137 HydrophobicContact CD1-CD2 4.45Å; L108-F137 HydrophobicContact CD1-CE2 4.21Å; W114-F137 HydrophobicContact CZ2-CB 4.36Å; W114-F137 HydrophobicContact CZ2-CD2 4.48Å; M133-F137 HydrophobicContact CE-CB 3.76Å; F137-V139 HydrophobicContact CD1-CG1 4.39Å; F137-V139 HydrophobicContact CE1-CG1 3.59Å; F137-V139 HydrophobicContact CZ-CG1 3.94Å; F137-M154 HydrophobicContact CB-CE 4.31Å; F137-M154 HydrophobicContact CB-SD 4.03Å; F137-M154 HydrophobicContact CD1-SD 3.32Å; F137-M154 WeakPolarHBondContact CD1-SD 3.32Å; F137-M154 HydrophobicContact CD2-SD 4.1Å; F137-M154 HydrophobicContact CE1-SD 3.7Å; F137-M154 HydrophobicContact CE2-SD 4.41Å; F137-M154 HydrophobicContact CG-CE 4.45Å; F137-M154 HydrophobicContact CG-SD 3.55Å; F137-M154 VanDerWaalsContact CG-SD 3.55Å; F137-M154 HydrophobicContact CZ-SD 4.22Å; F137-F205 HydrophobicContact CB-CB 4.43Å; F137-F205 AromaticContact CD1-CD2 3.9Å; F137-F205 HydrophobicContact CD1-CD2 3.9Å; F137-F205 HydrophobicContact CD1-CG 4.45Å; F137-F205 HydrophobicContact CE1-CD2 4.43Å; F137-F205 PolarHBondContact O-N 3.27Å; F137-P236 HydrophobicContact CD2-CB 4.15Å; F137-P236 HydrophobicContact CE2-CB 4.03Å; F137-F238 HydrophobicContact CE1-CB 3.95Å; F137-F238 HydrophobicContact CE1-CD2 4.45Å; F137-F238 HydrophobicContact CE1-CG 4.42Å; F137-F238 HydrophobicContact CZ-CB 3.94Å; F137-F259 HydrophobicContact CE2-CD2 4.14Å; F137-F259 AromaticContact CZ-CD2 3.88Å; F137-F259 HydrophobicContact CZ-CD2 3.88Å; F137-F259 HydrophobicContact CZ-CE2 4.2Å; F137-T262 HydrophobicContact CD2-CG2 4.19Å; F137-T262 HydrophobicContact CE2-CG2 4.03Å
138K96.9Very high95.3Very high73 Ų7358.9 Ų58.932%0.31728%0.283SS..EExtended strand (participates in β ladder)trans-141.7136.2-174.3-74.5177.3176.6-178.60108.9E109 P136 V202 V203 N204E109-K138 HydrophobicContact CB-CB 3.74Å; E109-K138 HydrophobicContact CG-CB 4.49Å; E109-K138 PolarHBondContact N-O 3.1Å; P136-K138 HydrophobicContact CG-CD 4.33Å; P136-K138 PolarHBondContact O-N 3.15Å; K138-V202 HydrophobicContact CB-CG1 3.91Å; K138-V202 HydrophobicContact CD-CG1 4.34Å; K138-V202 HydrophobicContact CG-CG1 4.28Å; K138-V203 VanDerWaalsContact CA-O 3.29Å; K138-V203 WeakPolarHBondContact CA-O 3.22Å; K138-N204 HydrophobicContact CG-CB 4.18Å; K138-N204 WeakPolarHBondContact CG-OD1 3.47Å
139V97.6Very high95.5Very high0 Ų056.1 Ų56.10%027%0.271CS..EExtended strand (participates in β ladder)trans-137.6149.9178.3-66.50000111.6V106 H107 L108 F137 V203 F238 F259V106-V139 HydrophobicContact CG1-CB 3.68Å; V106-V139 HydrophobicContact CG1-CG1 3.86Å; V106-V139 HydrophobicContact CG1-CG2 4.1Å; H107-V139 CarbonylContact O-C 3.58Å; H107-V139 VanDerWaalsContact O-CA 3.29Å; H107-V139 WeakPolarHBondContact O-CA 3.32Å; L108-V139 HydrophobicContact CD1-CG1 4.45Å; F137-V139 HydrophobicContact CD1-CG1 4.39Å; F137-V139 HydrophobicContact CE1-CG1 3.59Å; F137-V139 HydrophobicContact CZ-CG1 3.94Å; V139-V203 HydrophobicContact CG2-CB 4.01Å; V139-V203 PolarHBondContact N-O 3.49Å; V139-V203 PolarHBondContact O-N 3Å; V139-F238 HydrophobicContact CG2-CD1 4.27Å; V139-F238 HydrophobicContact CG2-CD2 4.05Å; V139-F238 HydrophobicContact CG2-CE1 4Å; V139-F238 HydrophobicContact CG2-CE2 3.77Å; V139-F238 HydrophobicContact CG2-CG 4.28Å; V139-F238 HydrophobicContact CG2-CZ 3.73Å; V139-F259 HydrophobicContact CG1-CE2 3.92Å; V139-F259 HydrophobicContact CG1-CZ 4.43Å
140R97.1Very high95.8Very high108 Ų10852 Ų5241%0.40824%0.242SC..EExtended strand (participates in β ladder)trans-107.6124169.7-175178.3-59.6-99.11.3108.5V106 H107 E109V106-R140 WeakPolarHBondContact CA-O 3.38Å; H107-R140 PolarHBondContact N-O 2.63Å; H107-R140 PolarHBondContact O-N 2.74Å; E109-R140 HydrophobicContact CG-CB 4.44Å; E109-R140 IonicContact OE1-CZ 2.76Å; E109-R140 IonicContact OE1-NE 3.29Å; E109-R140 PolarHBondContact OE1-NE 2.83Å; E109-R140 IonicContact OE1-NH2 3.29Å; E109-R140 PolarHBondContact OE1-NH2 3.1Å
141C96.4Very high95.9Very high1 Ų151.6 Ų51.61%0.00724%0.237CC..EExtended strand (participates in β ladder)trans-97.7144.5176.8-56.60000109.8K105 L144 M199K105-C141 CarbonylContact O-C 3.6Å; K105-C141 WeakPolarHBondContact O-CA 3.25Å; C141-L144 HydrophobicContact CB-CD1 4.07Å; C141-M199 WeakPolarHBondContact O-CG 3.32Å
142T95.9Very high96Very high54 Ų5445.4 Ų45.433%0.33121%0.214SC..EExtended strand (participates in β ladder)trans-142.1162.7172.150.70000108.9P104 K105P104-T142 CarbonylContact C-O 3.58Å; P104-T142 WeakPolarHBondContact CA-O 3.29Å; K105-T142 WeakPolarHBondContact CB-OG1 3.24Å; K105-T142 PolarHBondContact N-O 2.73Å; K105-T142 PolarHBondContact O-N 2.57Å; K105-T142 PolarHBondContact O-OG1 3.06Å
143G94.4Very high95.9Very high35 Ų3539 Ų3936%0.36119%0.19SC..SBendtrans73.727.4176.400000115.7D103D103-G143 CarbonylContact C-O 3.58Å; D103-G143 VanDerWaalsContact C-O 3.31Å; D103-G143 PolarHBondContact N-O 2.86Å; D103-G143 WeakPolarHBondContact O-CA 3.11Å
144L94.9Very high95.9Very high10 Ų1038.2 Ų38.25%0.05219%0.186CC..  trans-95.8143.4169.4-61.9168.9000109.9P104 C141 K146 Y150 W198 M199 I240P104-L144 HydrophobicContact CB-CD2 3.79Å; C141-L144 HydrophobicContact CB-CD1 4.07Å; L144-K146 PolarHBondContact O-N 2.76Å; L144-Y150 HydrophobicContact CB-CE2 3.98Å; L144-Y150 HydrophobicContact CD1-CD2 4.49Å; L144-Y150 HydrophobicContact CD2-CD1 3.91Å; L144-Y150 HydrophobicContact CD2-CD2 4.39Å; L144-Y150 HydrophobicContact CD2-CE1 3.66Å; L144-Y150 HydrophobicContact CD2-CE2 4.19Å; L144-Y150 HydrophobicContact CD2-CG 4.28Å; L144-W198 HydrophobicContact CD1-CB 3.97Å; L144-M199 HydrophobicContact CB-CE 4.18Å; L144-M199 HydrophobicContact CB-CG 4.42Å; L144-M199 HydrophobicContact CB-SD 4.17Å; L144-M199 HydrophobicContact CD1-CG 4.25Å; L144-M199 WeakPolarHBondContact O-CE 3.4Å; L144-I240 HydrophobicContact CD2-CD1 4.4Å; L144-I240 HydrophobicContact CD2-CG2 3.95Å
145D95.3Very high95.7Very high26 Ų2637.3 Ų37.314%0.13918%0.182CC..  trans-55.7126.1163.816828000109.9V100 D102 K147 A148 Y150 G195 R242V100-D145 HydrophobicContact CB-CB 4.49Å; V100-D145 HydrophobicContact CG1-CB 4.04Å; D102-D145 PolarHBondContact OD1-N 3.16Å; D145-K147 PolarHBondContact O-N 3.06Å; D145-K147 PolarHBondContact OD1-N 2.79Å; D145-A148 HydrophobicContact CB-CB 3.96Å; D145-A148 WeakPolarHBondContact OD2-CB 3.46Å; D145-A148 PolarHBondContact OD2-N 2.71Å; D145-Y150 PolarHBondContact N-OH 3.26Å; D145-Y150 WeakPolarHBondContact O-CE2 3.39Å; D145-G195 VanDerWaalsContact O-CA 3.32Å; D145-G195 WeakPolarHBondContact O-CA 3.27Å; D145-R242 IonicContact OD2-NH2 3.51Å
146K94.9Very high95.6Very high128 Ų12837.7 Ų37.756%0.55718%0.184SC*.SBendtrans-60.5-33179.5-67.2-178.1-176.3-179.10112.5L144 T194 E196 M199L144-K146 PolarHBondContact O-N 2.76Å; K146-T194 WeakPolarHBondContact O-CB 3.23Å; K146-E196 HydrophobicContact CB-CB 3.97Å; K146-E196 HydrophobicContact CG-CB 4.22Å; K146-E196 PolarHBondContact O-N 3.44Å; K146-M199 HydrophobicContact CG-CE 3.93Å
147K94.4Very high95.5Very high185 Ų18537.2 Ų37.280%0.80418%0.18SC*.SBendtrans-87.3-39.3-173.8-61.4172.1-176167.40112.5D145D145-K147 PolarHBondContact O-N 3.06Å; D145-K147 PolarHBondContact OD1-N 2.79Å
148A94.4Very high95.4Very high16 Ų1638.9 Ų38.913%0.13219%0.194CC..SBendtrans-59.7152.7177.800000112.9D145 Y150 T194 G195 R242D145-A148 HydrophobicContact CB-CB 3.96Å; D145-A148 WeakPolarHBondContact OD2-CB 3.46Å; D145-A148 PolarHBondContact OD2-N 2.71Å; A148-Y150 HydrophobicContact CB-CE2 3.67Å; A148-Y150 WeakPolarHBondContact CB-OH 3.24Å; A148-Y150 WeakPolarHBondContact O-CE2 3.48Å; A148-T194 CarbonylContact O-C 3.31Å; A148-T194 VanDerWaalsContact O-CA 3.26Å; A148-T194 WeakPolarHBondContact O-CA 3.48Å; A148-G195 PolarHBondContact O-N 2.89Å; A148-R242 HydrophobicContact CB-CG 4.3Å
149K95.4Very high95.4Very high102 Ų10237.6 Ų37.644%0.44320%0.197SC..EExtended strand (participates in β ladder)trans-97139.4172.8-69.2-169.1178.6-170.60110.8A193 T194 R242 A243 N244K149-A193 WeakPolarHBondContact CA-O 3.36Å; K149-T194 HydrophobicContact CG-CG2 4.5Å; K149-R242 CarbonylContact O-C 3.52Å; K149-A243 CarbonylContact C-O 3.54Å; K149-A243 PolarHBondContact O-N 3.27Å; K149-N244 HydrophobicContact CB-CB 4.44Å; K149-N244 HydrophobicContact CD-CB 4.26Å
150Y96.1Very high95.3Very high3 Ų339.7 Ų39.71%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-128.8146176.4-55.1-95.8000111D102 L144 D145 A148 A193 W198 I240 V241 R242D102-Y150 PolarHBondContact OD1-OH 2.96Å; D102-Y150 PolarHBondContact OD2-OH 2.7Å; L144-Y150 HydrophobicContact CB-CE2 3.98Å; L144-Y150 HydrophobicContact CD1-CD2 4.49Å; L144-Y150 HydrophobicContact CD2-CD1 3.91Å; L144-Y150 HydrophobicContact CD2-CD2 4.39Å; L144-Y150 HydrophobicContact CD2-CE1 3.66Å; L144-Y150 HydrophobicContact CD2-CE2 4.19Å; L144-Y150 HydrophobicContact CD2-CG 4.28Å; D145-Y150 PolarHBondContact N-OH 3.26Å; D145-Y150 WeakPolarHBondContact O-CE2 3.39Å; A148-Y150 HydrophobicContact CB-CE2 3.67Å; A148-Y150 WeakPolarHBondContact CB-OH 3.24Å; A148-Y150 WeakPolarHBondContact O-CE2 3.48Å; Y150-A193 PolarHBondContact N-O 3.13Å; Y150-A193 PolarHBondContact O-N 2.83Å; Y150-W198 PolarHBondContact O-NE1 2.76Å; Y150-I240 HydrophobicContact CD1-CG2 3.73Å; Y150-I240 HydrophobicContact CE1-CG2 4.44Å; Y150-I240 HydrophobicContact CG-CG2 4.43Å; Y150-V241 CarbonylContact C-O 3.56Å; Y150-V241 VanDerWaalsContact CA-O 3.24Å; Y150-V241 WeakPolarHBondContact CA-O 3.4Å; Y150-R242 HydrophobicContact CD1-CB 3.88Å; Y150-R242 HydrophobicContact CD1-CG 4.2Å; Y150-R242 HydrophobicContact CE1-CB 3.66Å; Y150-R242 HydrophobicContact CE1-CG 3.68Å
151I95.9Very high95.2Very high0 Ų039.8 Ų39.80%022%0.217CC..EExtended strand (participates in β ladder)trans-103.4128.2165-63.1171.1000106.9L153 I187 P192 V241 A243 D245 I246 L249I151-L153 HydrophobicContact CG2-CD2 4.29Å; I151-I187 HydrophobicContact CG2-CG2 3.89Å; I151-P192 HydrophobicContact CD1-CB 4.49Å; I151-P192 HydrophobicContact CG1-CB 3.82Å; I151-V241 PolarHBondContact N-O 2.87Å; I151-V241 PolarHBondContact O-N 2.91Å; I151-A243 HydrophobicContact CD1-CB 4.01Å; I151-A243 HydrophobicContact CG1-CB 4.47Å; I151-D245 WeakPolarHBondContact CD1-O 3.46Å; I151-I246 HydrophobicContact CD1-CB 4.37Å; I151-I246 HydrophobicContact CD1-CG1 3.86Å; I151-L249 HydrophobicContact CB-CD2 4.08Å; I151-L249 HydrophobicContact CD1-CD1 4.44Å; I151-L249 HydrophobicContact CD1-CD2 3.78Å; I151-L249 HydrophobicContact CD1-CG 3.97Å; I151-L249 HydrophobicContact CG2-CD1 4.28Å; I151-L249 HydrophobicContact CG2-CD2 3.99Å
152L96.1Very high95.2Very high0 Ų041.5 Ų41.50%023%0.229CC..EExtended strand (participates in β ladder)trans-107128.5174.6-61.8-169.8000109.2H188 S191 W198 V203 F238 I240L152-H188 HydrophobicContact CB-CB 4.29Å; L152-H188 VanDerWaalsContact O-CB 3.24Å; L152-H188 WeakPolarHBondContact O-CB 3.47Å; L152-H188 PolarHBondContact O-N 3.05Å; L152-S191 PolarHBondContact N-OG 3.28Å; L152-S191 PolarHBondContact O-OG 3.1Å; L152-W198 HydrophobicContact CB-CH2 4.04Å; L152-W198 HydrophobicContact CB-CZ2 4.01Å; L152-W198 HydrophobicContact CB-CZ3 4.44Å; L152-W198 HydrophobicContact CD1-CB 4.31Å; L152-W198 HydrophobicContact CD1-CD2 3.35Å; L152-W198 HydrophobicContact CD1-CE3 3.36Å; L152-W198 HydrophobicContact CD1-CG 3.82Å; L152-W198 HydrophobicContact CD1-CH2 4.09Å; L152-W198 HydrophobicContact CD1-CZ2 4.09Å; L152-W198 HydrophobicContact CD1-CZ3 3.75Å; L152-W198 HydrophobicContact CG-CD2 3.78Å; L152-W198 HydrophobicContact CG-CE3 4.13Å; L152-W198 HydrophobicContact CG-CG 4.27Å; L152-W198 HydrophobicContact CG-CH2 4.09Å; L152-W198 HydrophobicContact CG-CZ2 3.75Å; L152-W198 HydrophobicContact CG-CZ3 4.28Å; L152-V203 HydrophobicContact CD1-CB 4.37Å; L152-V203 HydrophobicContact CD1-CG1 3.85Å; L152-V203 HydrophobicContact CD1-CG2 3.65Å; L152-F238 HydrophobicContact CB-CE2 4.15Å; L152-F238 HydrophobicContact CB-CZ 4.43Å; L152-F238 HydrophobicContact CD1-CE2 4.34Å; L152-F238 HydrophobicContact CD1-CZ 4.02Å; L152-F238 HydrophobicContact CD2-CE2 4.44Å; L152-F238 HydrophobicContact CD2-CZ 3.91Å; L152-F238 HydrophobicContact CG-CZ 4.35Å; L152-I240 HydrophobicContact CD2-CB 4.05Å; L152-I240 HydrophobicContact CD2-CG1 3.72Å; L152-I240 HydrophobicContact CD2-CG2 3.96Å
153L94.6Very high95.3Very high0 Ų044.4 Ų44.40%023%0.234CC..EExtended strand (participates in β ladder)trans-142.5162.8-17963.488.3000111.4I151 M185 Y186 I187 H239 V241 L249 F254I151-L153 HydrophobicContact CG2-CD2 4.29Å; L153-M185 HydrophobicContact CD1-CB 4.14Å; L153-M185 HydrophobicContact CD1-CG 4.05Å; L153-M185 HydrophobicContact CD1-SD 4.06Å; L153-M185 HydrophobicContact CD2-SD 4.33Å; L153-Y186 CarbonylContact C-O 3.58Å; L153-Y186 WeakPolarHBondContact CA-O 3.45Å; L153-Y186 VanDerWaalsContact CB-O 3.27Å; L153-Y186 WeakPolarHBondContact CB-O 3.37Å; L153-I187 HydrophobicContact CB-CG1 4.22Å; L153-I187 HydrophobicContact CD2-CG1 4.42Å; L153-H239 HydrophobicContact CD1-CB 3.52Å; L153-H239 HydrophobicContact CG-CB 3.88Å; L153-H239 PolarHBondContact N-O 3.48Å; L153-H239 VanDerWaalsContact N-O 3.1Å; L153-H239 PolarHBondContact O-N 2.83Å; L153-V241 HydrophobicContact CD2-CG2 4.43Å; L153-L249 HydrophobicContact CD2-CD1 3.94Å; L153-L249 HydrophobicContact CD2-CD2 4Å; L153-F254 HydrophobicContact CD1-CE1 4.14Å; L153-F254 HydrophobicContact CD2-CE1 4Å
154M95.1Very high95.4Very high0 Ų044.7 Ų44.70%022%0.224CC..EExtended strand (participates in β ladder)trans-135.7134.2179.6-171.11727300109M133 F137 Y186 F205 L208 R237M133-M154 HydrophobicContact CE-CE 3.59Å; F137-M154 HydrophobicContact CB-CE 4.31Å; F137-M154 HydrophobicContact CB-SD 4.03Å; F137-M154 HydrophobicContact CD1-SD 3.32Å; F137-M154 WeakPolarHBondContact CD1-SD 3.32Å; F137-M154 HydrophobicContact CD2-SD 4.1Å; F137-M154 HydrophobicContact CE1-SD 3.7Å; F137-M154 HydrophobicContact CE2-SD 4.41Å; F137-M154 HydrophobicContact CG-CE 4.45Å; F137-M154 HydrophobicContact CG-SD 3.55Å; F137-M154 VanDerWaalsContact CG-SD 3.55Å; F137-M154 HydrophobicContact CZ-SD 4.22Å; M154-Y186 PolarHBondContact N-O 3.02Å; M154-Y186 PolarHBondContact O-N 3.23Å; M154-F205 HydrophobicContact CB-CD1 3.76Å; M154-F205 HydrophobicContact CB-CE1 3.66Å; M154-F205 HydrophobicContact CB-CG 4.38Å; M154-F205 HydrophobicContact CB-CZ 4.18Å; M154-F205 HydrophobicContact CE-CB 3.64Å; M154-F205 HydrophobicContact CE-CD1 4.08Å; M154-F205 HydrophobicContact CE-CG 3.95Å; M154-F205 HydrophobicContact SD-CB 4.19Å; M154-F205 HydrophobicContact SD-CD1 4.3Å; M154-F205 HydrophobicContact SD-CD2 4.36Å; M154-F205 HydrophobicContact SD-CG 4.02Å; M154-L208 HydrophobicContact CE-CD1 3.51Å; M154-L208 HydrophobicContact CE-CG 4.48Å; M154-R237 WeakPolarHBondContact CA-O 3.48Å; M154-R237 WeakPolarHBondContact CG-O 3.35Å
155D93.6Very high95.5Very high8 Ų849 Ų494%0.04324%0.243CC..EExtended strand (participates in β ladder)trans-116.9167.8165.378.3-14.6000110.8M185 R237 H239D155-M185 HydrophobicContact CB-CG 4.46Å; D155-R237 PolarHBondContact N-O 3.37Å; D155-R237 PolarHBondContact O-N 3.45Å; D155-R237 WeakPolarHBondContact OD1-CB 3.46Å; D155-R237 IonicContact OD1-CZ 2.62Å; D155-R237 IonicContact OD1-NE 2.86Å; D155-R237 IonicContact OD1-NH1 3.71Å; D155-R237 PolarHBondContact OD1-NH1 2.92Å; D155-R237 IonicContact OD2-NH1 2.83Å; D155-R237 PolarHBondContact OD2-NH1 3.44Å; D155-H239 IonicContact OD1-CD2 3.75Å; D155-H239 IonicContact OD1-CE1 3.95Å; D155-H239 IonicContact OD1-NE2 2.78Å; D155-H239 PolarHBondContact OD1-NE2 2.88Å; D155-H239 IonicContact OD2-NE2 2.71Å; D155-H239 PolarHBondContact OD2-NE2 3.47Å
156I95.2Very high95.6Very high9 Ų949.8 Ų49.85%0.04625%0.245CC..EExtended strand (participates in β ladder)trans-130.7120.9177.2-57.4179.7000105.3M133 L208 L210 T226 L228 Y234 F264M133-I156 HydrophobicContact SD-CD1 4.24Å; I156-L208 HydrophobicContact CD1-CD2 4.22Å; I156-L210 HydrophobicContact CD1-CD2 3.54Å; I156-T226 HydrophobicContact CB-CG2 4.26Å; I156-T226 HydrophobicContact CD1-CG2 4.26Å; I156-T226 HydrophobicContact CG1-CG2 4.5Å; I156-L228 HydrophobicContact CB-CD2 4.43Å; I156-L228 HydrophobicContact CG2-CD2 3.95Å; I156-Y234 HydrophobicContact CG2-CD1 4Å; I156-Y234 HydrophobicContact CG2-CG 4.06Å; I156-F264 HydrophobicContact CD1-CZ 4.34Å; I156-F264 HydrophobicContact CG2-CE1 4.34Å; I156-F264 HydrophobicContact CG2-CZ 4.12Å
157V94.6Very high95.6Very high22 Ų2248.6 Ų48.613%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-115.3151.9-178.2-56.50000109.7A159 K183 Y234 Q235 R237V157-A159 PolarHBondContact O-N 3.17Å; V157-K183 HydrophobicContact CG1-CD 4.01Å; V157-Y234 WeakPolarHBondContact O-CA 3.41Å; V157-Y234 WeakPolarHBondContact O-CD1 3.48Å; V157-Q235 HydrophobicContact CG2-CB 4.29Å; V157-Q235 PolarHBondContact N-O 3.21Å; V157-Q235 VanDerWaalsContact N-O 3.12Å; V157-Q235 PolarHBondContact O-N 3.15Å; V157-R237 HydrophobicContact CG2-CG 4.37Å
158A95.3Very high95.6Very high36 Ų3646.2 Ų46.230%0.29824%0.237SC..EExtended strand (participates in β ladder)trans-54133.5166.500000109.8E180 Y234A158-E180 HydrophobicContact CB-CG 4.45Å; A158-E180 WeakPolarHBondContact CB-OE1 3.4Å; A158-E180 PolarHBondContact N-OE1 2.71Å; A158-Y234 HydrophobicContact CB-CE1 4.4Å
159A95.9Very high95.5Very high46 Ų4649.7 Ų49.738%0.3826%0.261SS..EExtended strand (participates in β ladder)trans-83.3-23.5177.200000112V157 K233 Q235V157-A159 PolarHBondContact O-N 3.17Å; A159-K233 HydrophobicContact CB-CB 4.16Å; A159-K233 HydrophobicContact CB-CD 3.9Å; A159-K233 HydrophobicContact CB-CG 3.9Å; A159-K233 PolarHBondContact N-O 3.29Å; A159-Q235 HydrophobicContact CB-CB 4.35Å
160D95.6Very high95.5Very high44 Ų4453.2 Ų53.224%0.23527%0.271CS..EExtended strand (participates in β ladder)trans-159.7167.4-178.452.166000110.7C162 Y164 K233D160-C162 PolarHBondContact O-N 2.68Å; D160-C162 VanDerWaalsContact OD1-CB 3.28Å; D160-C162 WeakPolarHBondContact OD1-CB 3.33Å; D160-C162 PolarHBondContact OD1-N 2.92Å; D160-Y164 WeakPolarHBondContact OD1-CE2 3.48Å; D160-Y164 PolarHBondContact OD2-OH 2.96Å; D160-K233 WeakPolarHBondContact OD2-CB 3.33Å; D160-K233 VanDerWaalsContact OD2-CD 3.25Å; D160-K233 WeakPolarHBondContact OD2-CD 3.29Å
161D95.7Very high95.5Very high110 Ų11055.1 Ų55.159%0.58828%0.278SS*.EExtended strand (participates in β ladder)trans-86.326.5175.5-100.5-69.8000112.7K176 A177D161-K176 CarbonylContact O-C 3.56Å; D161-K176 IonicContact OD1-NZ 3.86Å; D161-K176 PolarHBondContact OD1-NZ 3.31Å; D161-A177 WeakPolarHBondContact O-CB 3.46Å; D161-A177 PolarHBondContact O-N 3.28Å
162C96.4Very high95.5Very high37 Ų3758.5 Ų58.525%0.2530%0.295CS..EExtended strand (participates in β ladder)trans-106.7139.3-177.4-66.60000113.6D160 Y164 V173 H232D160-C162 PolarHBondContact O-N 2.68Å; D160-C162 VanDerWaalsContact OD1-CB 3.28Å; D160-C162 WeakPolarHBondContact OD1-CB 3.33Å; D160-C162 PolarHBondContact OD1-N 2.92Å; C162-Y164 HydrophobicContact CB-CD2 4.3Å; C162-Y164 HydrophobicContact CB-CE2 3.63Å; C162-V173 HydrophobicContact CB-CG1 4.09Å; C162-V173 HydrophobicContact CB-CG2 4.11Å; C162-H232 PolarHBondContact O-CD2 3.06Å
163R97.1Very high95.6Very high116 Ų11662.2 Ų62.244%0.43832%0.317SS..EExtended strand (participates in β ladder)trans-97.1134.4162.3-173.1171.7174.1-143.7-3.6108.9A174 G175 K176R163-A174 WeakPolarHBondContact O-CB 3.25Å; R163-A174 PolarHBondContact O-N 3.01Å; R163-G175 PolarHBondContact N-O 3.06Å; R163-G175 PolarHBondContact O-N 3.43Å; R163-K176 WeakPolarHBondContact CB-O 3.43Å
164Y97.6Very high95.6Very high41 Ų4164.8 Ų64.816%0.16134%0.339CS..EExtended strand (participates in β ladder)trans-107.2161.2-171.3-74.1-90.1000113.8D160 C162 M172 V173 M231 K233 I265D160-Y164 WeakPolarHBondContact OD1-CE2 3.48Å; D160-Y164 PolarHBondContact OD2-OH 2.96Å; C162-Y164 HydrophobicContact CB-CD2 4.3Å; C162-Y164 HydrophobicContact CB-CE2 3.63Å; Y164-M172 CarbonylContact C-O 3.59Å; Y164-M172 WeakPolarHBondContact CA-O 3.35Å; Y164-V173 HydrophobicContact CD1-CG2 4.49Å; Y164-V173 HydrophobicContact CE1-CG2 3.94Å; Y164-M231 PolarHBondContact N-O 2.88Å; Y164-M231 WeakPolarHBondContact O-CB 3.4Å; Y164-K233 HydrophobicContact CD2-CB 4.46Å; Y164-K233 HydrophobicContact CE2-CB 3.87Å; Y164-I265 HydrophobicContact CD1-CD1 4.38Å; Y164-I265 HydrophobicContact CG-CD1 4.2Å
165K96.7Very high95.7Very high101 Ų10166.3 Ų66.344%0.43936%0.355SS..EExtended strand (participates in β ladder)trans-136.2147.5163.762.8-172.4174.7-176.60109.8M172 A174K165-M172 HydrophobicContact CG-CB 4.41Å; K165-M172 PolarHBondContact N-O 2.89Å; K165-M172 PolarHBondContact O-N 2.91Å; K165-A174 HydrophobicContact CB-CB 4.06Å; K165-A174 HydrophobicContact CD-CB 3.91Å; K165-A174 HydrophobicContact CG-CB 3.93Å
166F96.9Very high95.8Very high42 Ų4272.9 Ų72.918%0.18438%0.383CS..EExtended strand (participates in β ladder)trans-98.9126.7170.4-166.8-108.7000109.1S169 R170 W171 Q271 N272F166-S169 VanDerWaalsContact CE2-C 3.5Å; F166-S169 VanDerWaalsContact CZ-CA 3.49Å; F166-R170 WeakPolarHBondContact CA-O 3.47Å; F166-W171 HydrophobicContact CB-CD2 4.29Å; F166-W171 HydrophobicContact CB-CE3 4.06Å; F166-W171 HydrophobicContact CB-CH2 4.2Å; F166-W171 HydrophobicContact CB-CZ2 4.36Å; F166-W171 HydrophobicContact CB-CZ3 4.04Å; F166-W171 AromaticContact CD2-CD1 3.84Å; F166-W171 AromaticContact CD2-CD2 3.72Å; F166-W171 HydrophobicContact CD2-CD2 3.72Å; F166-W171 AromaticContact CD2-CE2 3.69Å; F166-W171 HydrophobicContact CD2-CE3 4.33Å; F166-W171 AromaticContact CD2-CG 3.84Å; F166-W171 HydrophobicContact CD2-CG 3.84Å; F166-W171 HydrophobicContact CD2-CZ2 4.29Å; F166-W171 AromaticContact CD2-NE1 3.72Å; F166-W171 HydrophobicContact CE2-CG 4.4Å; F166-W171 AromaticContact CE2-NE1 3.97Å; F166-W171 HydrophobicContact CG-CD2 4.48Å; F166-Q271 HydrophobicContact CB-CB 3.64Å; F166-Q271 HydrophobicContact CB-CG 4.1Å; F166-Q271 HydrophobicContact CD1-CB 3.71Å; F166-Q271 WeakPolarHBondContact CD1-O 3.02Å; F166-Q271 HydrophobicContact CD2-CB 4.4Å; F166-Q271 HydrophobicContact CE1-CB 4.43Å; F166-Q271 WeakPolarHBondContact CE1-O 2.87Å; F166-Q271 HydrophobicContact CG-CB 3.68Å; F166-N272 HydrophobicContact CE1-CB 4.23Å; F166-N272 HydrophobicContact CE2-CB 3.99Å; F166-N272 HydrophobicContact CZ-CB 3.61Å
167H95.6Very high95.7Very high102 Ų10273.1 Ų73.147%0.47239%0.386SS..EExtended strand (participates in β ladder)trans-154.4142.9-178.7-173.967.3000109.5S169 R170 M172H167-S169 VanDerWaalsContact C-N 3.28Å; H167-S169 PolarHBondContact O-N 3.18Å; H167-R170 PolarHBondContact N-O 3.23Å; H167-R170 PolarHBondContact O-N 2.85Å; H167-M172 HydrophobicContact CB-CE 4.19Å
168N93.2Very high95.5Very high135 Ų13575.3 Ų75.372%0.72240%0.397SS*.THydrogen-bonded Turntrans47.647.6-177.9-59.6-10.6000113.3R170N168-R170 PolarHBondContact O-N 3.47Å; N168-R170 VanDerWaalsContact O-N 3.16Å
169S93.2Very high95.2Very high90 Ų9078.7 Ų78.763%0.62942%0.416SS*.THydrogen-bonded Turntrans58.216.8-175.1-60.60000116.1F166 H167F166-S169 VanDerWaalsContact CE2-C 3.5Å; F166-S169 VanDerWaalsContact CZ-CA 3.49Å; H167-S169 VanDerWaalsContact C-N 3.28Å; H167-S169 PolarHBondContact O-N 3.18Å
170R94.6Very high94.4Very high176 Ų17680.6 Ų80.666%0.66442%0.417SS*.EExtended strand (participates in β ladder)trans-129141.5-175.3-175.9175.8178.4178.80.9111.8F166 H167 N168 M172F166-R170 WeakPolarHBondContact CA-O 3.47Å; H167-R170 PolarHBondContact N-O 3.23Å; H167-R170 PolarHBondContact O-N 2.85Å; N168-R170 PolarHBondContact O-N 3.47Å; N168-R170 VanDerWaalsContact O-N 3.16Å; R170-M172 HydrophobicContact CG-CG 4.3Å
171W96.4Very high93.6Very high43 Ų4381.1 Ų81.116%0.16342%0.419CS..EExtended strand (participates in β ladder)trans-77.7128.4167.2-76.6109.1000110.4E123 F166 M231 I265 V267 Q271E123-W171 HydrophobicContact CG-CZ2 3.99Å; F166-W171 HydrophobicContact CB-CD2 4.29Å; F166-W171 HydrophobicContact CB-CE3 4.06Å; F166-W171 HydrophobicContact CB-CH2 4.2Å; F166-W171 HydrophobicContact CB-CZ2 4.36Å; F166-W171 HydrophobicContact CB-CZ3 4.04Å; F166-W171 AromaticContact CD2-CD1 3.84Å; F166-W171 AromaticContact CD2-CD2 3.72Å; F166-W171 HydrophobicContact CD2-CD2 3.72Å; F166-W171 AromaticContact CD2-CE2 3.69Å; F166-W171 HydrophobicContact CD2-CE3 4.33Å; F166-W171 AromaticContact CD2-CG 3.84Å; F166-W171 HydrophobicContact CD2-CG 3.84Å; F166-W171 HydrophobicContact CD2-CZ2 4.29Å; F166-W171 AromaticContact CD2-NE1 3.72Å; F166-W171 HydrophobicContact CE2-CG 4.4Å; F166-W171 AromaticContact CE2-NE1 3.97Å; F166-W171 HydrophobicContact CG-CD2 4.48Å; W171-M231 HydrophobicContact CH2-CE 3.84Å; W171-M231 HydrophobicContact CZ3-CE 3.7Å; W171-I265 HydrophobicContact CB-CD1 4.44Å; W171-I265 HydrophobicContact CD2-CD1 3.48Å; W171-I265 VanDerWaalsContact CD2-CD1 3.48Å; W171-I265 HydrophobicContact CE3-CD1 3.69Å; W171-I265 HydrophobicContact CG-CD1 3.84Å; W171-I265 HydrophobicContact CH2-CB 4.33Å; W171-I265 HydrophobicContact CH2-CD1 4.31Å; W171-I265 HydrophobicContact CH2-CG2 3.66Å; W171-I265 HydrophobicContact CZ2-CB 4.3Å; W171-I265 HydrophobicContact CZ2-CD1 4.18Å; W171-I265 HydrophobicContact CZ2-CG2 4.12Å; W171-I265 HydrophobicContact CZ3-CD1 4.09Å; W171-I265 HydrophobicContact CZ3-CG2 3.95Å; W171-V267 HydrophobicContact CH2-CG1 3.92Å; W171-V267 HydrophobicContact CZ2-CG1 4.28Å; W171-Q271 HydrophobicContact CH2-CB 4.2Å; W171-Q271 HydrophobicContact CH2-CG 3.72Å; W171-Q271 HydrophobicContact CZ2-CB 3.99Å; W171-Q271 HydrophobicContact CZ2-CG 3.96Å
172M96.4Very high92.8Very high70 Ų7080.9 Ų80.935%0.34542%0.423SS..EExtended strand (participates in β ladder)trans-133.4149.4178.5-53.7-161.7-51.800110.3Y164 K165 H167 R170Y164-M172 CarbonylContact C-O 3.59Å; Y164-M172 WeakPolarHBondContact CA-O 3.35Å; K165-M172 HydrophobicContact CG-CB 4.41Å; K165-M172 PolarHBondContact N-O 2.89Å; K165-M172 PolarHBondContact O-N 2.91Å; H167-M172 HydrophobicContact CB-CE 4.19Å; R170-M172 HydrophobicContact CG-CG 4.3Å
173V97.6Very high91.7Very high78 Ų7884.4 Ų84.447%0.47343%0.434SS..EExtended strand (participates in β ladder)trans-67.1138.2171.1-179.40000109.2C162 Y164C162-V173 HydrophobicContact CB-CG1 4.09Å; C162-V173 HydrophobicContact CB-CG2 4.11Å; Y164-V173 HydrophobicContact CD1-CG2 4.49Å; Y164-V173 HydrophobicContact CE1-CG2 3.94Å
174A95.9Very high90.9Very high54 Ų5481.6 Ų81.645%0.44642%0.424SS..EExtended strand (participates in β ladder)trans-112.7-22179.400000112.8R163 K165R163-A174 WeakPolarHBondContact O-CB 3.25Å; R163-A174 PolarHBondContact O-N 3.01Å; K165-A174 HydrophobicContact CB-CB 4.06Å; K165-A174 HydrophobicContact CD-CB 3.91Å; K165-A174 HydrophobicContact CG-CB 3.93Å
175G95.7Very high90.5Very high33 Ų3383.7 Ų83.734%0.3444%0.436SS..EExtended strand (participates in β ladder)trans168.5-169.7178.400000111.5R163R163-G175 PolarHBondContact N-O 3.06Å; R163-G175 PolarHBondContact O-N 3.43Å
176K95.8Very high90.3Very high146 Ų14679.2 Ų79.264%0.63542%0.416SS*.EExtended strand (participates in β ladder)trans-64.4149.7171.3-160.6-155.4174.5-58.10110.6D161 R163D161-K176 CarbonylContact O-C 3.56Å; D161-K176 IonicContact OD1-NZ 3.86Å; D161-K176 PolarHBondContact OD1-NZ 3.31Å; R163-K176 WeakPolarHBondContact CB-O 3.43Å
177A94.3Very high90.1Very high14 Ų1479 Ų7912%0.11642%0.417CS..PPolyproline II helixtrans-59.9141.8170.500000113.3D161 H232D161-A177 WeakPolarHBondContact O-CB 3.46Å; D161-A177 PolarHBondContact O-N 3.28Å; A177-H232 VanDerWaalsContact CA-NE2 3.3Å; A177-H232 WeakPolarHBondContact CA-NE2 3.47Å
178D90.3Very high90.1Very high68 Ų6874.7 Ų74.736%0.36440%0.397SS..PPolyproline II helixtrans-62148.9164.4-60.4-27.4000109.4E180 N229 H232D178-E180 PolarHBondContact O-N 3.02Å; D178-N229 PolarHBondContact O-ND2 3.22Å; D178-H232 PolarHBondContact N-NE2 2.76Å; D178-H232 IonicContact OD2-CE1 3.28Å; D178-H232 PolarHBondContact OD2-CE1 2.93Å; D178-H232 IonicContact OD2-NE2 1.87Å
179P88.1Confident90.1Very high106 Ų10671.4 Ų71.469%0.68838%0.383SS*.PPolyproline II helixtrans-51.3132.7-177.3-28.535.5000113.7M181 N229P179-M181 WeakPolarHBondContact O-CE 3.33Å; P179-M181 PolarHBondContact O-N 2.81Å; P179-N229 PolarHBondContact O-ND2 3.01Å
180E79.5Confident90.1Very high86 Ų8672 Ų7240%0.40238%0.379SS..PPolyproline II helixtrans-67.9130.7-178.4-163.4179.9-157.800110.8A158 D178 K183A158-E180 HydrophobicContact CB-CG 4.45Å; A158-E180 WeakPolarHBondContact CB-OE1 3.4Å; A158-E180 PolarHBondContact N-OE1 2.71Å; D178-E180 PolarHBondContact O-N 3.02Å; E180-K183 VanDerWaalsContact CD-NZ 3.31Å; E180-K183 WeakPolarHBondContact OE1-CE 3.21Å; E180-K183 IonicContact OE1-NZ 3.18Å; E180-K183 PolarHBondContact OE1-NZ 3.42Å; E180-K183 WeakPolarHBondContact OE2-CE 3.34Å; E180-K183 IonicContact OE2-NZ 2.81Å; E180-K183 PolarHBondContact OE2-NZ 2.66Å
181M78.5Confident90Very high56 Ų5664.4 Ų64.428%0.27635%0.353SS..PPolyproline II helixtrans-72.8151.5178.7-67-66.5124.600111.1P179 K183 I214 I227P179-M181 WeakPolarHBondContact O-CE 3.33Å; P179-M181 PolarHBondContact O-N 2.81Å; M181-K183 PolarHBondContact O-N 3.43Å; M181-K183 VanDerWaalsContact O-N 3.1Å; M181-I214 HydrophobicContact CE-CG2 4.29Å; M181-I214 HydrophobicContact CG-CG2 4.32Å; M181-I214 HydrophobicContact SD-CB 4.26Å; M181-I214 HydrophobicContact SD-CG2 3.63Å; M181-I227 HydrophobicContact CB-CG2 4.48Å; M181-I227 HydrophobicContact CG-CG2 4.14Å
182P78.3Confident90Very high104 Ų10464.6 Ų64.668%0.67536%0.359SS*.PPolyproline II helixtrans-52118.8178.4-29.436000113R184P182-R184 PolarHBondContact O-N 2.7Å
183K73.4Confident90Very high112 Ų11261.7 Ų61.749%0.48735%0.347SS..PPolyproline II helixtrans-61.1118.2-175.8-75.2169178.2155.60110.6V157 E180 M181V157-K183 HydrophobicContact CG1-CD 4.01Å; E180-K183 VanDerWaalsContact CD-NZ 3.31Å; E180-K183 WeakPolarHBondContact OE1-CE 3.21Å; E180-K183 IonicContact OE1-NZ 3.18Å; E180-K183 PolarHBondContact OE1-NZ 3.42Å; E180-K183 WeakPolarHBondContact OE2-CE 3.34Å; E180-K183 IonicContact OE2-NZ 2.81Å; E180-K183 PolarHBondContact OE2-NZ 2.66Å; M181-K183 PolarHBondContact O-N 3.43Å; M181-K183 VanDerWaalsContact O-N 3.1Å
184R81.8Confident89.9Confident57 Ų5759.5 Ų59.522%0.21533%0.333CS..PPolyproline II helixtrans-101.8121174.2-72.6-177.5-177.681.6-15.4110.1P182 G219 I227P182-R184 PolarHBondContact O-N 2.7Å; R184-G219 PolarHBondContact NE-O 3.23Å; R184-I227 VanDerWaalsContact NH1-CD1 3.26Å
185M88.5Confident89.9Confident85 Ų8556.9 Ų56.942%0.41931%0.312SS..PPolyproline II helixtrans-75.4120.5168.6-66.7176.518000109.6L153 D155 I187 F254L153-M185 HydrophobicContact CD1-CB 4.14Å; L153-M185 HydrophobicContact CD1-CG 4.05Å; L153-M185 HydrophobicContact CD1-SD 4.06Å; L153-M185 HydrophobicContact CD2-SD 4.33Å; D155-M185 HydrophobicContact CB-CG 4.46Å; M185-I187 PolarHBondContact O-N 2.92Å; M185-F254 HydrophobicContact CE-CE1 3.81Å; M185-F254 HydrophobicContact CE-CZ 4.07Å; M185-F254 HydrophobicContact SD-CE1 3.95Å; M185-F254 HydrophobicContact SD-CZ 4.25Å
186Y92.2Very high89.9Confident6 Ų660.7 Ų60.72%0.02432%0.321CS..EExtended strand (participates in β ladder)trans-82.6110.1166.9179.6-78.9000108.3L153 M154 F205 K207 L208 S223 T224L153-Y186 CarbonylContact C-O 3.58Å; L153-Y186 WeakPolarHBondContact CA-O 3.45Å; L153-Y186 VanDerWaalsContact CB-O 3.27Å; L153-Y186 WeakPolarHBondContact CB-O 3.37Å; M154-Y186 PolarHBondContact N-O 3.02Å; M154-Y186 PolarHBondContact O-N 3.23Å; Y186-F205 AromaticContact CD1-CD1 3.48Å; Y186-F205 HydrophobicContact CD1-CD1 3.48Å; Y186-F205 VanDerWaalsContact CD1-CD1 3.48Å; Y186-F205 AromaticContact CD1-CE1 3.8Å; Y186-F205 HydrophobicContact CD1-CE1 3.8Å; Y186-F205 AromaticContact CE1-CD1 3.68Å; Y186-F205 HydrophobicContact CE1-CD1 3.68Å; Y186-F205 HydrophobicContact CE1-CE1 4.15Å; Y186-K207 WeakPolarHBondContact OH-CB 3.36Å; Y186-L208 VanDerWaalsContact CB-CD1 3.46Å; Y186-L208 HydrophobicContact CD1-CD1 4.39Å; Y186-L208 HydrophobicContact CD2-CB 3.74Å; Y186-L208 HydrophobicContact CD2-CD1 3.77Å; Y186-L208 HydrophobicContact CD2-CG 3.79Å; Y186-L208 HydrophobicContact CE2-CB 3.87Å; Y186-L208 HydrophobicContact CE2-CG 4.4Å; Y186-L208 HydrophobicContact CG-CB 4.21Å; Y186-L208 HydrophobicContact CG-CD1 3.62Å; Y186-L208 HydrophobicContact CG-CG 4.18Å; Y186-S223 WeakPolarHBondContact CD2-O 3.44Å; Y186-T224 HydrophobicContact CE2-CG2 4.34Å
187I93.7Very high90Very high38 Ų3859 Ų5920%0.19532%0.316CS..EExtended strand (participates in β ladder)trans-80.7130.8171.9-59.5172.2000108.6I151 L153 M185 I246 L249I151-I187 HydrophobicContact CG2-CG2 3.89Å; L153-I187 HydrophobicContact CB-CG1 4.22Å; L153-I187 HydrophobicContact CD2-CG1 4.42Å; M185-I187 PolarHBondContact O-N 2.92Å; I187-I246 HydrophobicContact CD1-CG2 3.81Å; I187-L249 HydrophobicContact CD1-CD1 3.68Å; I187-L249 HydrophobicContact CG1-CD1 4.31Å
188H94.6Very high90.1Very high11 Ų1158.9 Ų58.95%0.05131%0.312CS..  trans-63.4130.7176.1-166.6-90000109.4L152 D190 S191 W198 N204 F205L152-H188 HydrophobicContact CB-CB 4.29Å; L152-H188 VanDerWaalsContact O-CB 3.24Å; L152-H188 WeakPolarHBondContact O-CB 3.47Å; L152-H188 PolarHBondContact O-N 3.05Å; H188-D190 IonicContact CE1-OD2 2.66Å; H188-D190 PolarHBondContact CE1-OD2 2.89Å; H188-D190 VanDerWaalsContact CE1-OD2 3.29Å; H188-D190 IonicContact ND1-OD2 3.23Å; H188-D190 PolarHBondContact O-N 3.39Å; H188-S191 VanDerWaalsContact O-CB 3.24Å; H188-S191 WeakPolarHBondContact O-CB 3.42Å; H188-S191 PolarHBondContact O-N 3.12Å; H188-S191 PolarHBondContact O-OG 3.22Å; H188-W198 HydrophobicContact CB-CH2 4.05Å; H188-W198 AromaticContact CE1-CZ3 3.95Å; H188-W198 AromaticContact CG-CH2 3.98Å; H188-W198 AromaticContact ND1-CH2 3.46Å; H188-W198 WeakPolarHBondContact ND1-CH2 3.44Å; H188-W198 AromaticContact ND1-CZ3 3.44Å; H188-W198 WeakPolarHBondContact ND1-CZ3 2.94Å; H188-N204 PolarHBondContact NE2-N 2.93Å; H188-F205 HydrophobicContact CB-CE1 4Å; H188-F205 HydrophobicContact CB-CZ 4.11Å
189P92.6Very high90.4Very high67 Ų6758 Ų5844%0.43531%0.306SS..THydrogen-bonded Turntrans-62.4-19.4-168.824.3-36000114.5S191 K207P189-S191 VanDerWaalsContact C-N 3.26Å; P189-S191 PolarHBondContact O-N 1.87Å; P189-K207 HydrophobicContact CG-CD 4.19Å
190D93.6Very high90.8Very high102 Ų10256.5 Ų56.555%0.54530%0.299SS..THydrogen-bonded Turntrans-85.33.2179-49.2-6.3000112H188 A193 W198H188-D190 IonicContact CE1-OD2 2.66Å; H188-D190 PolarHBondContact CE1-OD2 2.89Å; H188-D190 VanDerWaalsContact CE1-OD2 3.29Å; H188-D190 IonicContact ND1-OD2 3.23Å; H188-D190 PolarHBondContact O-N 3.39Å; D190-A193 VanDerWaalsContact O-CB 3.3Å; D190-A193 WeakPolarHBondContact O-CB 3.15Å; D190-W198 HydrophobicContact CB-CH2 3.93Å; D190-W198 HydrophobicContact CB-CZ3 4.13Å
191S93.8Very high91.5Very high17 Ų1759.8 Ų59.812%0.11931%0.312CS..  trans-86.4146.2179.1-50.70000112.9L152 H188 P189 W198L152-S191 PolarHBondContact N-OG 3.28Å; L152-S191 PolarHBondContact O-OG 3.1Å; H188-S191 VanDerWaalsContact O-CB 3.24Å; H188-S191 WeakPolarHBondContact O-CB 3.42Å; H188-S191 PolarHBondContact O-N 3.12Å; H188-S191 PolarHBondContact O-OG 3.22Å; P189-S191 VanDerWaalsContact C-N 3.26Å; P189-S191 PolarHBondContact O-N 1.87Å; S191-W198 WeakPolarHBondContact OG-CZ2 3.36Å
192P95.1Very high92.4Very high46 Ų4659.5 Ų59.530%0.29931%0.313SS..SBendcis-81.5130.5-730.7-32.5000112.5I151I151-P192 HydrophobicContact CD1-CB 4.49Å; I151-P192 HydrophobicContact CG1-CB 3.82Å
193A96.5Very high93.3Very high10 Ų1054.8 Ų54.88%0.08328%0.282CS..EExtended strand (participates in β ladder)trans-123.9166176.800000111.3K149 Y150 D190 Q197 W198K149-A193 WeakPolarHBondContact CA-O 3.36Å; Y150-A193 PolarHBondContact N-O 3.13Å; Y150-A193 PolarHBondContact O-N 2.83Å; D190-A193 VanDerWaalsContact O-CB 3.3Å; D190-A193 WeakPolarHBondContact O-CB 3.15Å; A193-Q197 HydrophobicContact CB-CB 4.19Å; A193-W198 HydrophobicContact CB-CD2 4.28Å; A193-W198 HydrophobicContact CB-CZ2 3.94Å; A193-W198 PolarHBondContact O-NE1 3.25Å
194T96.5Very high94.3Very high31 Ų3151.5 Ų51.519%0.1927%0.27CS..EExtended strand (participates in β ladder)trans-75.1156.1179.867.20000112.2K146 A148 K149 E196 Q197 W198K146-T194 WeakPolarHBondContact O-CB 3.23Å; A148-T194 CarbonylContact O-C 3.31Å; A148-T194 VanDerWaalsContact O-CA 3.26Å; A148-T194 WeakPolarHBondContact O-CA 3.48Å; K149-T194 HydrophobicContact CG-CG2 4.5Å; T194-E196 PolarHBondContact O-N 2.95Å; T194-Q197 WeakPolarHBondContact O-CB 3.34Å; T194-Q197 PolarHBondContact O-N 3.28Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.33Å; T194-Q197 PolarHBondContact OG1-N 3.34Å; T194-W198 PolarHBondContact O-N 3.01Å
195G95.6Very high94.9Very high0 Ų048.9 Ų48.90%026%0.26CS..Hα-helixtrans-57.8-34.7175.900000112.7D145 A148 W198 M199D145-G195 VanDerWaalsContact O-CA 3.32Å; D145-G195 WeakPolarHBondContact O-CA 3.27Å; A148-G195 PolarHBondContact O-N 2.89Å; G195-W198 PolarHBondContact O-N 3.47Å; G195-M199 WeakPolarHBondContact O-CB 3.16Å; G195-M199 WeakPolarHBondContact O-CE 3.38Å; G195-M199 VanDerWaalsContact O-CG 3.3Å; G195-M199 WeakPolarHBondContact O-CG 3.24Å; G195-M199 PolarHBondContact O-N 2.66Å
196E96.4Very high95Very high112 Ų11248 Ų4852%0.52326%0.255SS..Hα-helixtrans-62.2-45172.8-177.8166.8-119.900112.5K146 T194 W198 M199 S200K146-E196 HydrophobicContact CB-CB 3.97Å; K146-E196 HydrophobicContact CG-CB 4.22Å; K146-E196 PolarHBondContact O-N 3.44Å; T194-E196 PolarHBondContact O-N 2.95Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.87Å; E196-M199 PolarHBondContact O-N 3.02Å; E196-S200 WeakPolarHBondContact O-CB 3.15Å; E196-S200 PolarHBondContact O-N 2.92Å
197Q96.8Very high95Very high112 Ų11252.4 Ų52.452%0.52327%0.274SS..Hα-helixtrans-61.6-41.4176.3-72.3168.4-16.700111.2A193 T194 S200A193-Q197 HydrophobicContact CB-CB 4.19Å; T194-Q197 WeakPolarHBondContact O-CB 3.34Å; T194-Q197 PolarHBondContact O-N 3.28Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.33Å; T194-Q197 PolarHBondContact OG1-N 3.34Å; Q197-S200 PolarHBondContact O-N 3.34Å; Q197-S200 PolarHBondContact O-OG 3.25Å
198W96.8Very high95Very high10 Ų1050.6 Ų50.64%0.03827%0.265CS..Hα-helixtrans-68.7-36.5177-68.7126.7000114.3L144 Y150 L152 H188 D190 S191 A193 T194 G195 E196 K201 V203L144-W198 HydrophobicContact CD1-CB 3.97Å; Y150-W198 PolarHBondContact O-NE1 2.76Å; L152-W198 HydrophobicContact CB-CH2 4.04Å; L152-W198 HydrophobicContact CB-CZ2 4.01Å; L152-W198 HydrophobicContact CB-CZ3 4.44Å; L152-W198 HydrophobicContact CD1-CB 4.31Å; L152-W198 HydrophobicContact CD1-CD2 3.35Å; L152-W198 HydrophobicContact CD1-CE3 3.36Å; L152-W198 HydrophobicContact CD1-CG 3.82Å; L152-W198 HydrophobicContact CD1-CH2 4.09Å; L152-W198 HydrophobicContact CD1-CZ2 4.09Å; L152-W198 HydrophobicContact CD1-CZ3 3.75Å; L152-W198 HydrophobicContact CG-CD2 3.78Å; L152-W198 HydrophobicContact CG-CE3 4.13Å; L152-W198 HydrophobicContact CG-CG 4.27Å; L152-W198 HydrophobicContact CG-CH2 4.09Å; L152-W198 HydrophobicContact CG-CZ2 3.75Å; L152-W198 HydrophobicContact CG-CZ3 4.28Å; H188-W198 HydrophobicContact CB-CH2 4.05Å; H188-W198 AromaticContact CE1-CZ3 3.95Å; H188-W198 AromaticContact CG-CH2 3.98Å; H188-W198 AromaticContact ND1-CH2 3.46Å; H188-W198 WeakPolarHBondContact ND1-CH2 3.44Å; H188-W198 AromaticContact ND1-CZ3 3.44Å; H188-W198 WeakPolarHBondContact ND1-CZ3 2.94Å; D190-W198 HydrophobicContact CB-CH2 3.93Å; D190-W198 HydrophobicContact CB-CZ3 4.13Å; S191-W198 WeakPolarHBondContact OG-CZ2 3.36Å; A193-W198 HydrophobicContact CB-CD2 4.28Å; A193-W198 HydrophobicContact CB-CZ2 3.94Å; A193-W198 PolarHBondContact O-NE1 3.25Å; T194-W198 PolarHBondContact O-N 3.01Å; G195-W198 PolarHBondContact O-N 3.47Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.87Å; W198-K201 VanDerWaalsContact O-O 3.1Å; W198-V203 HydrophobicContact CE3-CG2 4.02Å; W198-V203 HydrophobicContact CZ3-CG1 4.17Å; W198-V203 HydrophobicContact CZ3-CG2 4.47Å
199M96.6Very high94.9Very high49 Ų4953.4 Ų53.424%0.24128%0.277CS..Hα-helixtrans-75.7-24.4175.7-67.3-173.2-71.200112.6C141 L144 K146 G195 E196 K201C141-M199 WeakPolarHBondContact O-CG 3.32Å; L144-M199 HydrophobicContact CB-CE 4.18Å; L144-M199 HydrophobicContact CB-CG 4.42Å; L144-M199 HydrophobicContact CB-SD 4.17Å; L144-M199 HydrophobicContact CD1-CG 4.25Å; L144-M199 WeakPolarHBondContact O-CE 3.4Å; K146-M199 HydrophobicContact CG-CE 3.93Å; G195-M199 WeakPolarHBondContact O-CB 3.16Å; G195-M199 WeakPolarHBondContact O-CE 3.38Å; G195-M199 VanDerWaalsContact O-CG 3.3Å; G195-M199 WeakPolarHBondContact O-CG 3.24Å; G195-M199 PolarHBondContact O-N 2.66Å; E196-M199 PolarHBondContact O-N 3.02Å; M199-K201 VanDerWaalsContact C-N 3.26Å; M199-K201 PolarHBondContact O-N 2.83Å
200S96.1Very high95Very high76 Ų7650.2 Ų50.253%0.53126%0.256SS..THydrogen-bonded Turntrans-65.8-22.2-17876.20000114.8E196 Q197E196-S200 WeakPolarHBondContact O-CB 3.15Å; E196-S200 PolarHBondContact O-N 2.92Å; Q197-S200 PolarHBondContact O-N 3.34Å; Q197-S200 PolarHBondContact O-OG 3.25Å
201K94.8Very high94.9Very high155 Ų15545.4 Ų45.467%0.67423%0.23SC*.SBendtrans-145157.8-169-71.6168.6-170.7167.80111.6W198 M199 V203W198-K201 VanDerWaalsContact O-O 3.1Å; M199-K201 VanDerWaalsContact C-N 3.26Å; M199-K201 PolarHBondContact O-N 2.83Å; K201-V203 PolarHBondContact O-N 2.85Å
202V96.6Very high94.9Very high50 Ų5048 Ų4830%0.30324%0.243SC..  trans-72.7122.2171.2172.50000110E109 K138E109-V202 HydrophobicContact CB-CG1 4.48Å; E109-V202 HydrophobicContact CG-CG1 3.86Å; E109-V202 HydrophobicContact CG-CG2 4.07Å; E109-V202 WeakPolarHBondContact OE1-CG2 3.24Å; K138-V202 HydrophobicContact CB-CG1 3.91Å; K138-V202 HydrophobicContact CD-CG1 4.34Å; K138-V202 HydrophobicContact CG-CG1 4.28Å
203V96.9Very high94.6Very high4 Ų447.3 Ų47.32%0.02424%0.237CC..EExtended strand (participates in β ladder)trans-73.7130.7175-168.20000108.4K138 V139 L152 W198 K201 F205K138-V203 VanDerWaalsContact CA-O 3.29Å; K138-V203 WeakPolarHBondContact CA-O 3.22Å; V139-V203 HydrophobicContact CG2-CB 4.01Å; V139-V203 PolarHBondContact N-O 3.49Å; V139-V203 PolarHBondContact O-N 3Å; L152-V203 HydrophobicContact CD1-CB 4.37Å; L152-V203 HydrophobicContact CD1-CG1 3.85Å; L152-V203 HydrophobicContact CD1-CG2 3.65Å; W198-V203 HydrophobicContact CE3-CG2 4.02Å; W198-V203 HydrophobicContact CZ3-CG1 4.17Å; W198-V203 HydrophobicContact CZ3-CG2 4.47Å; K201-V203 PolarHBondContact O-N 2.85Å; V203-F205 HydrophobicContact CB-CE2 4.5Å; V203-F205 HydrophobicContact CG1-CD2 4.37Å; V203-F205 HydrophobicContact CG1-CE2 3.6Å; V203-F205 HydrophobicContact CG1-CZ 4.07Å
204N95.4Very high93.9Very high44 Ų4452.2 Ų52.224%0.23526%0.261CS..EExtended strand (participates in β ladder)trans-140.897-160-1808.2000113.5K138 H188 H206K138-N204 HydrophobicContact CG-CB 4.18Å; K138-N204 WeakPolarHBondContact CG-OD1 3.47Å; H188-N204 PolarHBondContact NE2-N 2.93Å; N204-H206 VanDerWaalsContact CG-ND1 3.26Å; N204-H206 PolarHBondContact ND2-ND1 3.47Å; N204-H206 PolarHBondContact O-N 2.93Å; N204-H206 PolarHBondContact O-ND1 3.38Å; N204-H206 VanDerWaalsContact OD1-CB 3.28Å; N204-H206 WeakPolarHBondContact OD1-CB 3.38Å; N204-H206 PolarHBondContact OD1-N 2.88Å; N204-H206 PolarHBondContact OD1-ND1 2.82Å
205F94.6Very high92.9Very high1 Ų154.7 Ų54.70%0.00428%0.279CS..  trans-78.614.2-174.8-67.1-93.8000114.5F137 M154 Y186 H188 V203 K207 L208 F238F137-F205 HydrophobicContact CB-CB 4.43Å; F137-F205 AromaticContact CD1-CD2 3.9Å; F137-F205 HydrophobicContact CD1-CD2 3.9Å; F137-F205 HydrophobicContact CD1-CG 4.45Å; F137-F205 HydrophobicContact CE1-CD2 4.43Å; F137-F205 PolarHBondContact O-N 3.27Å; M154-F205 HydrophobicContact CB-CD1 3.76Å; M154-F205 HydrophobicContact CB-CE1 3.66Å; M154-F205 HydrophobicContact CB-CG 4.38Å; M154-F205 HydrophobicContact CB-CZ 4.18Å; M154-F205 HydrophobicContact CE-CB 3.64Å; M154-F205 HydrophobicContact CE-CD1 4.08Å; M154-F205 HydrophobicContact CE-CG 3.95Å; M154-F205 HydrophobicContact SD-CB 4.19Å; M154-F205 HydrophobicContact SD-CD1 4.3Å; M154-F205 HydrophobicContact SD-CD2 4.36Å; M154-F205 HydrophobicContact SD-CG 4.02Å; Y186-F205 AromaticContact CD1-CD1 3.48Å; Y186-F205 HydrophobicContact CD1-CD1 3.48Å; Y186-F205 VanDerWaalsContact CD1-CD1 3.48Å; Y186-F205 AromaticContact CD1-CE1 3.8Å; Y186-F205 HydrophobicContact CD1-CE1 3.8Å; Y186-F205 AromaticContact CE1-CD1 3.68Å; Y186-F205 HydrophobicContact CE1-CD1 3.68Å; Y186-F205 HydrophobicContact CE1-CE1 4.15Å; H188-F205 HydrophobicContact CB-CE1 4Å; H188-F205 HydrophobicContact CB-CZ 4.11Å; V203-F205 HydrophobicContact CB-CE2 4.5Å; V203-F205 HydrophobicContact CG1-CD2 4.37Å; V203-F205 HydrophobicContact CG1-CE2 3.6Å; V203-F205 HydrophobicContact CG1-CZ 4.07Å; F205-K207 PolarHBondContact O-N 3Å; F205-L208 VanDerWaalsContact O-CB 3.3Å; F205-L208 WeakPolarHBondContact O-CB 3.39Å; F205-L208 PolarHBondContact O-N 3.1Å; F205-F238 AromaticContact CE2-CD2 3.69Å; F205-F238 HydrophobicContact CE2-CD2 3.69Å; F205-F238 AromaticContact CE2-CE2 3.66Å; F205-F238 HydrophobicContact CE2-CE2 3.66Å; F205-F238 AromaticContact CZ-CD2 3.81Å; F205-F238 HydrophobicContact CZ-CD2 3.81Å; F205-F238 AromaticContact CZ-CE2 3.74Å; F205-F238 HydrophobicContact CZ-CE2 3.74Å
206H90.8Very high91.6Very high68 Ų6855.3 Ų55.332%0.31528%0.282SS..THydrogen-bonded Turntrans-52.5-17176.273.6-61.9000116.4R132 P136 N204R132-H206 WeakPolarHBondContact CD-O 3.28Å; R132-H206 WeakPolarHBondContact CG-O 3.47Å; R132-H206 PolarHBondContact NE-O 3.38Å; P136-H206 HydrophobicContact CB-CB 4.14Å; N204-H206 VanDerWaalsContact CG-ND1 3.26Å; N204-H206 PolarHBondContact ND2-ND1 3.47Å; N204-H206 PolarHBondContact O-N 2.93Å; N204-H206 PolarHBondContact O-ND1 3.38Å; N204-H206 VanDerWaalsContact OD1-CB 3.28Å; N204-H206 WeakPolarHBondContact OD1-CB 3.38Å; N204-H206 PolarHBondContact OD1-N 2.88Å; N204-H206 PolarHBondContact OD1-ND1 2.82Å
207K91.6Very high89.9Confident97 Ų9759.3 Ų59.342%0.42230%0.298SS..THydrogen-bonded Turntrans-78.3-21.1175-79.5174-178.11740112.7Y186 P189 F205Y186-K207 WeakPolarHBondContact OH-CB 3.36Å; P189-K207 HydrophobicContact CG-CD 4.19Å; F205-K207 PolarHBondContact O-N 3Å
208L92.6Very high87.9Confident1 Ų160.1 Ų60.11%0.00530%0.301CS..  trans-63.3139.1175.6-171.5152.7000110.8M133 M154 I156 Y186 F205 L210M133-L208 HydrophobicContact CE-CD2 4.36Å; M133-L208 HydrophobicContact SD-CD2 4.48Å; M154-L208 HydrophobicContact CE-CD1 3.51Å; M154-L208 HydrophobicContact CE-CG 4.48Å; I156-L208 HydrophobicContact CD1-CD2 4.22Å; Y186-L208 VanDerWaalsContact CB-CD1 3.46Å; Y186-L208 HydrophobicContact CD1-CD1 4.39Å; Y186-L208 HydrophobicContact CD2-CB 3.74Å; Y186-L208 HydrophobicContact CD2-CD1 3.77Å; Y186-L208 HydrophobicContact CD2-CG 3.79Å; Y186-L208 HydrophobicContact CE2-CB 3.87Å; Y186-L208 HydrophobicContact CE2-CG 4.4Å; Y186-L208 HydrophobicContact CG-CB 4.21Å; Y186-L208 HydrophobicContact CG-CD1 3.62Å; Y186-L208 HydrophobicContact CG-CG 4.18Å; F205-L208 VanDerWaalsContact O-CB 3.3Å; F205-L208 WeakPolarHBondContact O-CB 3.39Å; F205-L208 PolarHBondContact O-N 3.1Å; L208-L210 HydrophobicContact CD2-CD2 3.5Å; L208-L210 VanDerWaalsContact CD2-CD2 3.5Å; L208-L210 HydrophobicContact CD2-CG 4.38Å
209K93.3Very high85.7Confident69 Ų6960.2 Ų60.230%0.331%0.305SS..EExtended strand (participates in β ladder)trans-121.4143.7177.4-74.9171.6158.6-161.80111.2S129 G130 R131 R132 T224 N225 T226S129-K209 PolarHBondContact O-NZ 2.9Å; G130-K209 WeakPolarHBondContact O-CE 3.5Å; R131-K209 CarbonylContact O-C 3.48Å; R131-K209 WeakPolarHBondContact O-CA 3.29Å; R132-K209 HydrophobicContact CG-CG 4.36Å; K209-T224 PolarHBondContact N-O 3.33Å; K209-N225 WeakPolarHBondContact CB-OD1 3.43Å; K209-N225 WeakPolarHBondContact CD-OD1 3.38Å; K209-N225 WeakPolarHBondContact O-CA 3.44Å; K209-T226 PolarHBondContact O-N 3.2Å
210L94.3Very high83.4Confident1 Ų167.4 Ų67.41%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-102.6129.3172.5-50.5-176.9000110.2M124 I126 T127 G130 R131 M133 I156 L208 T226 L228 F264M124-L210 HydrophobicContact CB-CD1 3.74Å; M124-L210 HydrophobicContact CG-CD1 4.3Å; I126-L210 HydrophobicContact CB-CB 4.4Å; I126-L210 HydrophobicContact CG2-CB 3.67Å; I126-L210 HydrophobicContact CG2-CD1 4.33Å; T127-L210 PolarHBondContact N-O 2.95Å; G130-L210 WeakPolarHBondContact CA-O 3.46Å; R131-L210 PolarHBondContact N-O 3.01Å; R131-L210 PolarHBondContact O-N 3.33Å; M133-L210 HydrophobicContact CG-CD1 3.79Å; M133-L210 HydrophobicContact CG-CD2 4.28Å; M133-L210 HydrophobicContact CG-CG 3.92Å; M133-L210 HydrophobicContact SD-CD1 4.2Å; M133-L210 HydrophobicContact SD-CD2 4.28Å; M133-L210 HydrophobicContact SD-CG 4.47Å; I156-L210 HydrophobicContact CD1-CD2 3.54Å; L208-L210 HydrophobicContact CD2-CD2 3.5Å; L208-L210 VanDerWaalsContact CD2-CD2 3.5Å; L208-L210 HydrophobicContact CD2-CG 4.38Å; L210-T226 WeakPolarHBondContact CA-O 3.32Å; L210-L228 HydrophobicContact CB-CD1 4.32Å; L210-L228 HydrophobicContact CD1-CD1 3.97Å; L210-L228 HydrophobicContact CD2-CD1 3.89Å; L210-L228 HydrophobicContact CG-CD1 4.28Å; L210-F264 HydrophobicContact CD1-CE2 3.9Å; L210-F264 HydrophobicContact CD1-CZ 3.79Å
211T92.9Very high80.8Confident0 Ų070.4 Ų70.40%035%0.35CS..EExtended strand (participates in β ladder)trans-131152.4-179.5-177.80000111.9T127 K128 N213 N225 T226 I227 L228T127-T211 VanDerWaalsContact O-CA 3.28Å; T127-T211 WeakPolarHBondContact O-CA 3.3Å; T127-T211 VanDerWaalsContact O-CB 3.3Å; T127-T211 WeakPolarHBondContact O-CB 3.43Å; T127-T211 PolarHBondContact O-OG1 3.23Å; K128-T211 PolarHBondContact O-OG1 2.98Å; T211-N213 WeakPolarHBondContact OG1-CB 3.43Å; T211-N213 PolarHBondContact OG1-N 3.29Å; T211-N225 HydrophobicContact CG2-CB 4.11Å; T211-T226 PolarHBondContact N-O 3.19Å; T211-I227 HydrophobicContact CG2-CB 4.43Å; T211-I227 HydrophobicContact CG2-CG1 3.91Å; T211-I227 CarbonylContact O-C 3.58Å; T211-I227 WeakPolarHBondContact O-CA 3.46Å; T211-L228 PolarHBondContact O-N 2.92Å
212N92.3Very high78.6Confident71 Ų7165.1 Ų65.138%0.3833%0.333SS..  trans-95.71.3168.867.2-27.7000112.8I126 K128 I214I126-N212 HydrophobicContact CD1-CB 3.73Å; I126-N212 HydrophobicContact CG1-CB 4.05Å; K128-N212 WeakPolarHBondContact CA-OD1 3.25Å; K128-N212 PolarHBondContact N-OD1 3.38Å; K128-N212 VanDerWaalsContact N-OD1 3.15Å; N212-I214 PolarHBondContact O-N 2.97Å; N212-I214 VanDerWaalsContact O-N 3.16Å
213N88.8Confident76.9Confident32 Ų3265.1 Ų65.117%0.17134%0.335CS..  trans-84.490-174.8-175.821.6000112.1K128 T211 S215 D216 I227K128-N213 HydrophobicContact CG-CB 4.18Å; T211-N213 WeakPolarHBondContact OG1-CB 3.43Å; T211-N213 PolarHBondContact OG1-N 3.29Å; N213-S215 PolarHBondContact O-N 3.36Å; N213-S215 PolarHBondContact OD1-N 3.03Å; N213-S215 PolarHBondContact OD1-OG 2.77Å; N213-D216 HydrophobicContact CB-CB 4.49Å; N213-D216 WeakPolarHBondContact O-CB 3.48Å; N213-D216 PolarHBondContact O-N 3.43Å; N213-D216 VanDerWaalsContact O-N 3.13Å; N213-I227 WeakPolarHBondContact O-CD1 3.28Å
214I82.6Confident75.8Confident114 Ų11467 Ų6759%0.58535%0.347SS*.THydrogen-bonded Turntrans-53.2-26.717466.3172.9000113.5M181 N212 D216 I227M181-I214 HydrophobicContact CE-CG2 4.29Å; M181-I214 HydrophobicContact CG-CG2 4.32Å; M181-I214 HydrophobicContact SD-CB 4.26Å; M181-I214 HydrophobicContact SD-CG2 3.63Å; N212-I214 PolarHBondContact O-N 2.97Å; N212-I214 VanDerWaalsContact O-N 3.16Å; I214-D216 VanDerWaalsContact C-N 3.33Å; I214-D216 PolarHBondContact O-N 3.01Å; I214-I227 HydrophobicContact CG2-CG2 4.15Å
215S75.7Confident75.2Confident82 Ų8265.6 Ų65.657%0.57334%0.34SS*.THydrogen-bonded Turntrans-86.16.7-17776.30000114.8N213 K217N213-S215 PolarHBondContact O-N 3.36Å; N213-S215 PolarHBondContact OD1-N 3.03Å; N213-S215 PolarHBondContact OD1-OG 2.77Å; S215-K217 PolarHBondContact O-N 2.78Å
216D68.8Low75Confident14 Ų1465.8 Ų65.88%0.07534%0.341CS..  trans-69.292.1-174.4-170.415.4000113.3N213 I214 H218 G219 N225N213-D216 HydrophobicContact CB-CB 4.49Å; N213-D216 WeakPolarHBondContact O-CB 3.48Å; N213-D216 PolarHBondContact O-N 3.43Å; N213-D216 VanDerWaalsContact O-N 3.13Å; I214-D216 VanDerWaalsContact C-N 3.33Å; I214-D216 PolarHBondContact O-N 3.01Å; D216-H218 PolarHBondContact O-N 2.9Å; D216-H218 VanDerWaalsContact O-N 3.13Å; D216-H218 WeakPolarHBondContact OD1-CB 3.37Å; D216-H218 IonicContact OD1-CE1 2.75Å; D216-H218 IonicContact OD1-CG 2.91Å; D216-H218 PolarHBondContact OD1-N 3.35Å; D216-H218 IonicContact OD1-ND1 3.53Å; D216-H218 PolarHBondContact OD1-ND1 2.85Å; D216-G219 PolarHBondContact O-N 3.05Å; D216-N225 PolarHBondContact OD2-ND2 3.1Å
217K59.7Low75.1Confident196 Ų19663.3 Ų63.385%0.85233%0.329SS*.G310 helixtrans-61.5-17178.1-62-168.7179.4-173.50113.5S215 G219S215-K217 PolarHBondContact O-N 2.78Å; K217-G219 PolarHBondContact O-N 2.81Å
218H54.7Low75.2Confident128 Ų12858.9 Ų58.959%0.59331%0.311SS*.G310 helixtrans-65.5-23.1172.9-57.190000112D216 F220 V221 S222D216-H218 PolarHBondContact O-N 2.9Å; D216-H218 VanDerWaalsContact O-N 3.13Å; D216-H218 WeakPolarHBondContact OD1-CB 3.37Å; D216-H218 IonicContact OD1-CE1 2.75Å; D216-H218 IonicContact OD1-CG 2.91Å; D216-H218 PolarHBondContact OD1-N 3.35Å; D216-H218 IonicContact OD1-ND1 3.53Å; D216-H218 PolarHBondContact OD1-ND1 2.85Å; H218-F220 PolarHBondContact O-N 3.03Å; H218-V221 PolarHBondContact O-N 2.89Å; H218-S222 WeakPolarHBondContact O-CA 3.39Å; H218-S222 PolarHBondContact O-N 2.86Å
219G51.1Low75.3Confident12 Ų1259.8 Ų59.812%0.12432%0.315CS..G310 helixtrans-68.412.8-176.400000116.8R184 D216 K217R184-G219 PolarHBondContact NE-O 3.23Å; D216-G219 PolarHBondContact O-N 3.05Å; K217-G219 PolarHBondContact O-N 2.81Å
220F48Very low75.4Confident200 Ų20057.9 Ų57.988%0.87731%0.311SS*.G310 helixtrans-101.5-17.8166-102.6-79.6000113.6H218H218-F220 PolarHBondContact O-N 3.03Å
221V40.9Very low75.6Confident139 Ų13959.2 Ų59.284%0.84232%0.317SS*.THydrogen-bonded Turntrans-133.7-39.7-176.8-177.20000111.6H218 S223H218-V221 PolarHBondContact O-N 2.89Å; V221-S223 PolarHBondContact O-N 3.48Å
222S49.3Very low75.8Confident44 Ų4459.5 Ų59.531%0.30832%0.319SS..  trans-8293.3165.2-162.60000109.4H218 T224H218-S222 WeakPolarHBondContact O-CA 3.39Å; H218-S222 PolarHBondContact O-N 2.86Å; S222-T224 PolarHBondContact O-N 3.38Å; S222-T224 PolarHBondContact OG-OG1 2.85Å
223S60.7Low76Confident50 Ų5058.9 Ų58.935%0.3531%0.312SS..THydrogen-bonded Turntrans-60.42.9170.856.30000114.4Y186 V221Y186-S223 WeakPolarHBondContact CD2-O 3.44Å; V221-S223 PolarHBondContact O-N 3.48Å
224T73.8Confident76.4Confident44 Ų4457.7 Ų57.727%0.2731%0.306SS..THydrogen-bonded Turntrans-86-19.9-166.168.70000115.5Y186 K209 S222Y186-T224 HydrophobicContact CE2-CG2 4.34Å; K209-T224 PolarHBondContact N-O 3.33Å; S222-T224 PolarHBondContact O-N 3.38Å; S222-T224 PolarHBondContact OG-OG1 2.85Å
225N83.1Confident77.1Confident15 Ų1553.6 Ų53.68%0.0828%0.284CS..EExtended strand (participates in β ladder)trans-108112.8-177.7-72.8-16.6000111.1K209 T211 D216K209-N225 WeakPolarHBondContact CB-OD1 3.43Å; K209-N225 WeakPolarHBondContact CD-OD1 3.38Å; K209-N225 WeakPolarHBondContact O-CA 3.44Å; T211-N225 HydrophobicContact CG2-CB 4.11Å; D216-N225 PolarHBondContact OD2-ND2 3.1Å
226T90.6Very high78.2Confident5 Ų549.7 Ų49.73%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-89.6125.3168.2-51.30000109.4I156 K209 L210 T211 L228I156-T226 HydrophobicContact CB-CG2 4.26Å; I156-T226 HydrophobicContact CD1-CG2 4.26Å; I156-T226 HydrophobicContact CG1-CG2 4.5Å; K209-T226 PolarHBondContact O-N 3.2Å; L210-T226 WeakPolarHBondContact CA-O 3.32Å; T211-T226 PolarHBondContact N-O 3.19Å; T226-L228 HydrophobicContact CG2-CD2 4Å; T226-L228 HydrophobicContact CG2-CG 4.44Å
227I92.1Very high79.5Confident15 Ų1552 Ų528%0.07726%0.264CS..EExtended strand (participates in β ladder)trans-87.8125.7178.3-50.8-176.5000108.9M181 R184 T211 N213 I214M181-I227 HydrophobicContact CB-CG2 4.48Å; M181-I227 HydrophobicContact CG-CG2 4.14Å; R184-I227 VanDerWaalsContact NH1-CD1 3.26Å; T211-I227 HydrophobicContact CG2-CB 4.43Å; T211-I227 HydrophobicContact CG2-CG1 3.91Å; T211-I227 CarbonylContact O-C 3.58Å; T211-I227 WeakPolarHBondContact O-CA 3.46Å; N213-I227 WeakPolarHBondContact O-CD1 3.28Å; I214-I227 HydrophobicContact CG2-CG2 4.15Å
228L94.2Very high81.3Confident5 Ų542.7 Ų42.73%0.02622%0.224CC..  trans-129148.3178.1-57.6-179000110.9I126 I156 L210 T211 T226 Y234 F264 A266I126-L228 WeakPolarHBondContact CD1-O 3.22Å; I126-L228 HydrophobicContact CG2-CD1 4.48Å; I156-L228 HydrophobicContact CB-CD2 4.43Å; I156-L228 HydrophobicContact CG2-CD2 3.95Å; L210-L228 HydrophobicContact CB-CD1 4.32Å; L210-L228 HydrophobicContact CD1-CD1 3.97Å; L210-L228 HydrophobicContact CD2-CD1 3.89Å; L210-L228 HydrophobicContact CG-CD1 4.28Å; T211-L228 PolarHBondContact O-N 2.92Å; T226-L228 HydrophobicContact CG2-CD2 4Å; T226-L228 HydrophobicContact CG2-CG 4.44Å; L228-Y234 HydrophobicContact CB-CE2 3.87Å; L228-Y234 HydrophobicContact CD1-CD2 4.04Å; L228-Y234 HydrophobicContact CD1-CE2 4.23Å; L228-Y234 HydrophobicContact CD1-CG 4.33Å; L228-Y234 HydrophobicContact CD2-CD1 3.8Å; L228-Y234 HydrophobicContact CD2-CD2 4.32Å; L228-Y234 HydrophobicContact CD2-CE1 3.69Å; L228-Y234 HydrophobicContact CD2-CE2 4.17Å; L228-Y234 HydrophobicContact CD2-CG 4.14Å; L228-Y234 HydrophobicContact CG-CE2 4.32Å; L228-F264 HydrophobicContact CD1-CE2 3.78Å; L228-F264 HydrophobicContact CD1-CZ 3.78Å; L228-A266 HydrophobicContact CB-CB 4.25Å; L228-A266 HydrophobicContact CD1-CB 4.12Å
229N94.6Very high83.2Confident19 Ų1936.9 Ų36.910%0.10220%0.197CC..  trans-81.2136.4171.4-61.6-17.8000108.7D178 P179 H232 Y234D178-N229 PolarHBondContact O-ND2 3.22Å; P179-N229 PolarHBondContact O-ND2 3.01Å; N229-H232 WeakPolarHBondContact CB-ND1 3.36Å; N229-Y234 PolarHBondContact N-OH 3.21Å; N229-Y234 PolarHBondContact O-OH 3.23Å
230S96.2Very high85.4Confident29 Ų2936.5 Ų36.520%0.20319%0.192CC..THydrogen-bonded Turntrans-70.8151.2177.4-165.50000111H232 A266 T268S230-H232 VanDerWaalsContact C-N 3.3Å; S230-H232 PolarHBondContact O-CE1 3.34Å; S230-H232 PolarHBondContact O-N 3.22Å; S230-H232 PolarHBondContact O-ND1 3.28Å; S230-A266 CarbonylContact C-O 3.54Å; S230-T268 PolarHBondContact OG-N 3.01Å
231M97.1Very high87.7Confident30 Ų3027 Ų2715%0.14815%0.15CC..THydrogen-bonded Turntrans63.829.3-179.3-42.7-55.1-77.900114.3Y164 W171 A266 V267 Q271Y164-M231 PolarHBondContact N-O 2.88Å; Y164-M231 WeakPolarHBondContact O-CB 3.4Å; W171-M231 HydrophobicContact CH2-CE 3.84Å; W171-M231 HydrophobicContact CZ3-CE 3.7Å; M231-A266 PolarHBondContact N-O 2.93Å; M231-V267 HydrophobicContact SD-CG1 4.13Å; M231-Q271 HydrophobicContact CE-CG 4.27Å
232H97.3Very high90.2Very high6 Ų625.8 Ų25.83%0.02813%0.131CC..EExtended strand (participates in β ladder)trans-120.5151.3174.9-66.779.2000110.2C162 A177 D178 N229 S230 Y234 I265 A266C162-H232 PolarHBondContact O-CD2 3.06Å; A177-H232 VanDerWaalsContact CA-NE2 3.3Å; A177-H232 WeakPolarHBondContact CA-NE2 3.47Å; D178-H232 PolarHBondContact N-NE2 2.76Å; D178-H232 IonicContact OD2-CE1 3.28Å; D178-H232 PolarHBondContact OD2-CE1 2.93Å; D178-H232 IonicContact OD2-NE2 1.87Å; N229-H232 WeakPolarHBondContact CB-ND1 3.36Å; S230-H232 VanDerWaalsContact C-N 3.3Å; S230-H232 PolarHBondContact O-CE1 3.34Å; S230-H232 PolarHBondContact O-N 3.22Å; S230-H232 PolarHBondContact O-ND1 3.28Å; H232-Y234 HydrophobicContact CB-CE2 3.67Å; H232-Y234 WeakPolarHBondContact O-CD2 3.22Å; H232-Y234 WeakPolarHBondContact O-CE2 3.28Å; H232-I265 WeakPolarHBondContact O-CA 3.47Å; H232-A266 PolarHBondContact O-N 3.32Å
233K97.3Very high92.3Very high57 Ų5724 Ų2425%0.24812%0.118CC..EExtended strand (participates in β ladder)trans-91.2138.7179.3-162.4-170.1179.4-1620110.8A159 D160 Y164 D263 F264 I265A159-K233 HydrophobicContact CB-CB 4.16Å; A159-K233 HydrophobicContact CB-CD 3.9Å; A159-K233 HydrophobicContact CB-CG 3.9Å; A159-K233 PolarHBondContact N-O 3.29Å; D160-K233 WeakPolarHBondContact OD2-CB 3.33Å; D160-K233 VanDerWaalsContact OD2-CD 3.25Å; D160-K233 WeakPolarHBondContact OD2-CD 3.29Å; Y164-K233 HydrophobicContact CD2-CB 4.46Å; Y164-K233 HydrophobicContact CE2-CB 3.87Å; K233-D263 WeakPolarHBondContact CE-OD2 3.28Å; K233-D263 IonicContact NZ-OD2 3.95Å; K233-D263 PolarHBondContact NZ-OD2 2.87Å; K233-F264 CarbonylContact C-O 3.58Å; K233-F264 WeakPolarHBondContact CA-O 3.46Å; K233-I265 HydrophobicContact CB-CG1 4.2Å; K233-I265 HydrophobicContact CG-CG1 4.14Å
234Y97.5Very high93.7Very high8 Ų825.7 Ų25.73%0.03112%0.123CC..EExtended strand (participates in β ladder)trans-133.9148-174.4-69.5-73.8000112.3I156 V157 A158 L228 N229 H232 D263 F264 A266I156-Y234 HydrophobicContact CG2-CD1 4Å; I156-Y234 HydrophobicContact CG2-CG 4.06Å; V157-Y234 WeakPolarHBondContact O-CA 3.41Å; V157-Y234 WeakPolarHBondContact O-CD1 3.48Å; A158-Y234 HydrophobicContact CB-CE1 4.4Å; L228-Y234 HydrophobicContact CB-CE2 3.87Å; L228-Y234 HydrophobicContact CD1-CD2 4.04Å; L228-Y234 HydrophobicContact CD1-CE2 4.23Å; L228-Y234 HydrophobicContact CD1-CG 4.33Å; L228-Y234 HydrophobicContact CD2-CD1 3.8Å; L228-Y234 HydrophobicContact CD2-CD2 4.32Å; L228-Y234 HydrophobicContact CD2-CE1 3.69Å; L228-Y234 HydrophobicContact CD2-CE2 4.17Å; L228-Y234 HydrophobicContact CD2-CG 4.14Å; L228-Y234 HydrophobicContact CG-CE2 4.32Å; N229-Y234 PolarHBondContact N-OH 3.21Å; N229-Y234 PolarHBondContact O-OH 3.23Å; H232-Y234 HydrophobicContact CB-CE2 3.67Å; H232-Y234 WeakPolarHBondContact O-CD2 3.22Å; H232-Y234 WeakPolarHBondContact O-CE2 3.28Å; Y234-D263 WeakPolarHBondContact O-CA 3.49Å; Y234-F264 HydrophobicContact CD2-CE2 4.19Å; Y234-F264 HydrophobicContact CG-CE2 4.47Å; Y234-F264 PolarHBondContact N-O 2.97Å; Y234-F264 PolarHBondContact O-N 2.99Å; Y234-A266 HydrophobicContact CD2-CB 3.79Å; Y234-A266 HydrophobicContact CE2-CB 3.71Å
235Q97.5Very high94.5Very high27 Ų2726.5 Ų26.513%0.12613%0.126CC..EExtended strand (participates in β ladder)trans-119.6116.3174.8177.862.368.100109.4V157 A159 R237 V258 F259 T262V157-Q235 HydrophobicContact CG2-CB 4.29Å; V157-Q235 PolarHBondContact N-O 3.21Å; V157-Q235 VanDerWaalsContact N-O 3.12Å; V157-Q235 PolarHBondContact O-N 3.15Å; A159-Q235 HydrophobicContact CB-CB 4.35Å; Q235-R237 HydrophobicContact CG-CG 4.39Å; Q235-V258 VanDerWaalsContact CD-CG1 3.44Å; Q235-V258 HydrophobicContact CG-CG1 3.52Å; Q235-F259 PolarHBondContact NE2-O 3.43Å; Q235-T262 PolarHBondContact NE2-OG1 3.38Å
236P97Very high94.8Very high0 Ų029.1 Ų29.10%014%0.14CC..EExtended strand (participates in β ladder)trans-63138.9164-20.632.9000111.1F137 T262 F264F137-P236 HydrophobicContact CD2-CB 4.15Å; F137-P236 HydrophobicContact CE2-CB 4.03Å; P236-T262 WeakPolarHBondContact CD-O 3.32Å; P236-T262 WeakPolarHBondContact CG-O 3.31Å; P236-F264 HydrophobicContact CG-CD1 4.25Å; P236-F264 HydrophobicContact CG-CE1 3.97Å
237R96.5Very high94.6Very high63 Ų6335.4 Ų35.424%0.23817%0.172CC..EExtended strand (participates in β ladder)trans-131.2130171.6-52.8158.259.1-130.912.3108.7M154 D155 V157 Q235 H239 T256 Y257 V258M154-R237 WeakPolarHBondContact CA-O 3.48Å; M154-R237 WeakPolarHBondContact CG-O 3.35Å; D155-R237 PolarHBondContact N-O 3.37Å; D155-R237 PolarHBondContact O-N 3.45Å; D155-R237 WeakPolarHBondContact OD1-CB 3.46Å; D155-R237 IonicContact OD1-CZ 2.62Å; D155-R237 IonicContact OD1-NE 2.86Å; D155-R237 IonicContact OD1-NH1 3.71Å; D155-R237 PolarHBondContact OD1-NH1 2.92Å; D155-R237 IonicContact OD2-NH1 2.83Å; D155-R237 PolarHBondContact OD2-NH1 3.44Å; V157-R237 HydrophobicContact CG2-CG 4.37Å; Q235-R237 HydrophobicContact CG-CG 4.39Å; R237-H239 WeakPolarHBondContact CB-NE2 3.43Å; R237-H239 PolarHBondContact NH1-CE1 3.26Å; R237-H239 PolarHBondContact NH1-NE2 2.84Å; R237-H239 PolarHBondContact NH2-CE1 2.8Å; R237-H239 PolarHBondContact O-CD2 2.73Å; R237-H239 VanDerWaalsContact O-CD2 3.27Å; R237-H239 PolarHBondContact O-NE2 2.97Å; R237-T256 HydrophobicContact CB-CG2 4.16Å; R237-Y257 WeakPolarHBondContact CA-O 3.15Å; R237-V258 HydrophobicContact CB-CG2 4.44Å; R237-V258 HydrophobicContact CG-CG1 4.48Å; R237-V258 HydrophobicContact CG-CG2 4.03Å
238F97.4Very high94.4Very high0 Ų039.4 Ų39.40%019%0.189CC..EExtended strand (participates in β ladder)trans-100.3141.7179.1169.9-104.3000109.8V106 F137 V139 L152 F205 I240 T256 Y257V106-F238 HydrophobicContact CB-CE1 4.44Å; V106-F238 HydrophobicContact CG1-CD1 3.73Å; V106-F238 HydrophobicContact CG1-CE1 3.7Å; V106-F238 HydrophobicContact CG2-CD1 4.23Å; V106-F238 HydrophobicContact CG2-CE1 3.83Å; F137-F238 HydrophobicContact CE1-CB 3.95Å; F137-F238 HydrophobicContact CE1-CD2 4.45Å; F137-F238 HydrophobicContact CE1-CG 4.42Å; F137-F238 HydrophobicContact CZ-CB 3.94Å; V139-F238 HydrophobicContact CG2-CD1 4.27Å; V139-F238 HydrophobicContact CG2-CD2 4.05Å; V139-F238 HydrophobicContact CG2-CE1 4Å; V139-F238 HydrophobicContact CG2-CE2 3.77Å; V139-F238 HydrophobicContact CG2-CG 4.28Å; V139-F238 HydrophobicContact CG2-CZ 3.73Å; L152-F238 HydrophobicContact CB-CE2 4.15Å; L152-F238 HydrophobicContact CB-CZ 4.43Å; L152-F238 HydrophobicContact CD1-CE2 4.34Å; L152-F238 HydrophobicContact CD1-CZ 4.02Å; L152-F238 HydrophobicContact CD2-CE2 4.44Å; L152-F238 HydrophobicContact CD2-CZ 3.91Å; L152-F238 HydrophobicContact CG-CZ 4.35Å; F205-F238 AromaticContact CE2-CD2 3.69Å; F205-F238 HydrophobicContact CE2-CD2 3.69Å; F205-F238 AromaticContact CE2-CE2 3.66Å; F205-F238 HydrophobicContact CE2-CE2 3.66Å; F205-F238 AromaticContact CZ-CD2 3.81Å; F205-F238 HydrophobicContact CZ-CD2 3.81Å; F205-F238 AromaticContact CZ-CE2 3.74Å; F205-F238 HydrophobicContact CZ-CE2 3.74Å; F238-I240 HydrophobicContact CD1-CG1 4.44Å; F238-I240 HydrophobicContact CE1-CD1 3.96Å; F238-I240 HydrophobicContact CE1-CG1 3.58Å; F238-I240 HydrophobicContact CZ-CG1 3.95Å; F238-T256 CarbonylContact O-C 3.51Å; F238-Y257 AromaticContact CD1-CD2 3.88Å; F238-Y257 HydrophobicContact CD1-CD2 3.88Å; F238-Y257 HydrophobicContact CD1-CG 4.27Å; F238-Y257 HydrophobicContact CE1-CD2 4.32Å; F238-Y257 PolarHBondContact N-O 2.74Å; F238-Y257 PolarHBondContact O-N 3.46Å
239H96Very high93.9Very high6 Ų639.9 Ų39.93%0.02819%0.191CC..EExtended strand (participates in β ladder)trans-132131.7-171.2-58.8-94.7000111.1L153 D155 R237 F254 R255 T256L153-H239 HydrophobicContact CD1-CB 3.52Å; L153-H239 HydrophobicContact CG-CB 3.88Å; L153-H239 PolarHBondContact N-O 3.48Å; L153-H239 VanDerWaalsContact N-O 3.1Å; L153-H239 PolarHBondContact O-N 2.83Å; D155-H239 IonicContact OD1-CD2 3.75Å; D155-H239 IonicContact OD1-CE1 3.95Å; D155-H239 IonicContact OD1-NE2 2.78Å; D155-H239 PolarHBondContact OD1-NE2 2.88Å; D155-H239 IonicContact OD2-NE2 2.71Å; D155-H239 PolarHBondContact OD2-NE2 3.47Å; R237-H239 WeakPolarHBondContact CB-NE2 3.43Å; R237-H239 PolarHBondContact NH1-CE1 3.26Å; R237-H239 PolarHBondContact NH1-NE2 2.84Å; R237-H239 PolarHBondContact NH2-CE1 2.8Å; R237-H239 PolarHBondContact O-CD2 2.73Å; R237-H239 VanDerWaalsContact O-CD2 3.27Å; R237-H239 PolarHBondContact O-NE2 2.97Å; H239-F254 HydrophobicContact CB-CD1 4.18Å; H239-F254 AromaticContact ND1-CD1 3.89Å; H239-R255 WeakPolarHBondContact CA-O 3.18Å; H239-T256 VanDerWaalsContact CE1-CG2 3.4Å; H239-T256 WeakPolarHBondContact CE1-CG2 3.3Å; H239-T256 PolarHBondContact CE1-OG1 2.85Å; H239-T256 PolarHBondContact ND1-OG1 3.13Å
240I96.1Very high93.6Very high4 Ų443.9 Ų43.92%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-108.3127.8170-54.6-178.1000108P104 V106 L144 Y150 L152 F238 R255 Y257P104-I240 HydrophobicContact CB-CD1 3.91Å; V106-I240 HydrophobicContact CG2-CD1 3.7Å; L144-I240 HydrophobicContact CD2-CD1 4.4Å; L144-I240 HydrophobicContact CD2-CG2 3.95Å; Y150-I240 HydrophobicContact CD1-CG2 3.73Å; Y150-I240 HydrophobicContact CE1-CG2 4.44Å; Y150-I240 HydrophobicContact CG-CG2 4.43Å; L152-I240 HydrophobicContact CD2-CB 4.05Å; L152-I240 HydrophobicContact CD2-CG1 3.72Å; L152-I240 HydrophobicContact CD2-CG2 3.96Å; F238-I240 HydrophobicContact CD1-CG1 4.44Å; F238-I240 HydrophobicContact CE1-CD1 3.96Å; F238-I240 HydrophobicContact CE1-CG1 3.58Å; F238-I240 HydrophobicContact CZ-CG1 3.95Å; I240-R255 HydrophobicContact CB-CB 4.41Å; I240-R255 PolarHBondContact N-O 3.12Å; I240-R255 PolarHBondContact O-N 2.9Å; I240-Y257 HydrophobicContact CB-CE2 4.31Å; I240-Y257 HydrophobicContact CD1-CD2 4.42Å; I240-Y257 HydrophobicContact CD1-CE2 3.64Å; I240-Y257 HydrophobicContact CG1-CD2 4.3Å; I240-Y257 HydrophobicContact CG1-CE2 3.76Å
241V95.6Very high93.2Very high0 Ų052.4 Ų52.40%025%0.248CC..EExtended strand (participates in β ladder)trans-128.6118.7177.6-172.20000109.3Y150 I151 L153 A243 L249 F254Y150-V241 CarbonylContact C-O 3.56Å; Y150-V241 VanDerWaalsContact CA-O 3.24Å; Y150-V241 WeakPolarHBondContact CA-O 3.4Å; I151-V241 PolarHBondContact N-O 2.87Å; I151-V241 PolarHBondContact O-N 2.91Å; L153-V241 HydrophobicContact CD2-CG2 4.43Å; V241-A243 HydrophobicContact CG1-CB 4.06Å; V241-A243 PolarHBondContact O-N 2.93Å; V241-L249 HydrophobicContact CB-CD2 3.98Å; V241-L249 HydrophobicContact CG1-CD2 3.83Å; V241-L249 HydrophobicContact CG2-CD2 4.03Å; V241-F254 HydrophobicContact CG2-CD1 3.7Å; V241-F254 HydrophobicContact CG2-CD2 4.48Å; V241-F254 HydrophobicContact CG2-CE1 3.95Å; V241-F254 HydrophobicContact CG2-CG 3.99Å; V241-F254 HydrophobicContact CG2-CZ 4.42Å
242R94.3Very high92.8Very high115 Ų11552.3 Ų52.343%0.43425%0.25SC..  trans-76.586.5176.6-169.3176.9-176.3159.7-10.4109.2V100 D102 D145 A148 K149 Y150V100-R242 PolarHBondContact O-NH1 2.89Å; V100-R242 VanDerWaalsContact O-NH1 3.1Å; D102-R242 VanDerWaalsContact CG-NH1 3.27Å; D102-R242 IonicContact OD1-NH1 2.74Å; D102-R242 WeakPolarHBondContact OD2-CD 3.42Å; D102-R242 IonicContact OD2-CZ 3.55Å; D102-R242 IonicContact OD2-NE 3.73Å; D102-R242 IonicContact OD2-NH1 2.57Å; D102-R242 PolarHBondContact OD2-NH1 3.23Å; D145-R242 IonicContact OD2-NH2 3.51Å; A148-R242 HydrophobicContact CB-CG 4.3Å; K149-R242 CarbonylContact O-C 3.52Å; Y150-R242 HydrophobicContact CD1-CB 3.88Å; Y150-R242 HydrophobicContact CD1-CG 4.2Å; Y150-R242 HydrophobicContact CE1-CB 3.66Å; Y150-R242 HydrophobicContact CE1-CG 3.68Å
243A92.8Very high92.5Very high6 Ų657.4 Ų57.45%0.0528%0.282CS..  trans-143.9140.6-175.100000111.7K149 I151 V241K149-A243 CarbonylContact C-O 3.54Å; K149-A243 PolarHBondContact O-N 3.27Å; I151-A243 HydrophobicContact CD1-CB 4.01Å; I151-A243 HydrophobicContact CG1-CB 4.47Å; V241-A243 HydrophobicContact CG1-CB 4.06Å; V241-A243 PolarHBondContact O-N 2.93Å
244N91.6Very high92.3Very high85 Ų8557.8 Ų57.846%0.45528%0.283SS..SBendtrans-88.4-9.4179.576-74.5000114.3K149 K248K149-N244 HydrophobicContact CB-CB 4.44Å; K149-N244 HydrophobicContact CD-CB 4.26Å; N244-K248 WeakPolarHBondContact OD1-CD 3.36Å; N244-K248 WeakPolarHBondContact OD1-CE 3.47Å; N244-K248 PolarHBondContact OD1-NZ 2.88Å
245D90.4Very high92.2Very high62 Ų6262.6 Ų62.633%0.33230%0.301SS..SBendtrans-153.9144.2-174.2178.519000110.6I151 L247 K248I151-D245 WeakPolarHBondContact CD1-O 3.46Å; D245-L247 VanDerWaalsContact C-N 3.31Å; D245-L247 PolarHBondContact O-N 2.92Å; D245-L247 PolarHBondContact OD1-N 3.06Å; D245-L247 WeakPolarHBondContact OD2-CB 3.46Å; D245-K248 PolarHBondContact O-N 2.91Å
246I88Confident92.1Very high70 Ų7064 Ų6436%0.35931%0.312SS..G310 helixtrans-66.7-32.2-178.8-65.4170.9000111.2I151 I187 K248 L249I151-I246 HydrophobicContact CD1-CB 4.37Å; I151-I246 HydrophobicContact CD1-CG1 3.86Å; I187-I246 HydrophobicContact CD1-CG2 3.81Å; I246-K248 PolarHBondContact O-N 2.83Å; I246-K248 VanDerWaalsContact O-N 3.13Å; I246-L249 HydrophobicContact CG2-CD1 4.02Å; I246-L249 WeakPolarHBondContact O-CB 3.43Å; I246-L249 WeakPolarHBondContact O-CG 3.48Å; I246-L249 PolarHBondContact O-N 2.91Å
247L88Confident92.2Very high137 Ų13766.2 Ų66.272%0.71732%0.321SS*.G310 helixtrans-63.3-19.1178-57.9178.2000113.2D245 P250D245-L247 VanDerWaalsContact C-N 3.31Å; D245-L247 PolarHBondContact O-N 2.92Å; D245-L247 PolarHBondContact OD1-N 3.06Å; D245-L247 WeakPolarHBondContact OD2-CB 3.46Å; L247-P250 WeakPolarHBondContact O-CD 3.16Å
248K86.3Confident92.2Very high99 Ų9966.6 Ų66.643%0.4333%0.33SS..G310 helixtrans-84.6-10.6176.4-64.2-174.2176.9-178.30114.1N244 D245 I246 P250 Y251 S252N244-K248 WeakPolarHBondContact OD1-CD 3.36Å; N244-K248 WeakPolarHBondContact OD1-CE 3.47Å; N244-K248 PolarHBondContact OD1-NZ 2.88Å; D245-K248 PolarHBondContact O-N 2.91Å; I246-K248 PolarHBondContact O-N 2.83Å; I246-K248 VanDerWaalsContact O-N 3.13Å; K248-P250 VanDerWaalsContact C-CD 3.43Å; K248-Y251 PolarHBondContact O-N 3.21Å; K248-S252 PolarHBondContact O-N 2.84Å; K248-S252 VanDerWaalsContact O-N 3.15Å; K248-S252 PolarHBondContact O-OG 2.78Å
249L85.4Confident92.2Very high14 Ų1467.9 Ų67.97%0.07334%0.336CS..G310 helixtrans-51.2-43.1-177.6-74.2179000114I151 L153 I187 V241 I246 Y251 S252 F254I151-L249 HydrophobicContact CB-CD2 4.08Å; I151-L249 HydrophobicContact CD1-CD1 4.44Å; I151-L249 HydrophobicContact CD1-CD2 3.78Å; I151-L249 HydrophobicContact CD1-CG 3.97Å; I151-L249 HydrophobicContact CG2-CD1 4.28Å; I151-L249 HydrophobicContact CG2-CD2 3.99Å; L153-L249 HydrophobicContact CD2-CD1 3.94Å; L153-L249 HydrophobicContact CD2-CD2 4Å; I187-L249 HydrophobicContact CD1-CD1 3.68Å; I187-L249 HydrophobicContact CG1-CD1 4.31Å; V241-L249 HydrophobicContact CB-CD2 3.98Å; V241-L249 HydrophobicContact CG1-CD2 3.83Å; V241-L249 HydrophobicContact CG2-CD2 4.03Å; I246-L249 HydrophobicContact CG2-CD1 4.02Å; I246-L249 WeakPolarHBondContact O-CB 3.43Å; I246-L249 WeakPolarHBondContact O-CG 3.48Å; I246-L249 PolarHBondContact O-N 2.91Å; L249-Y251 PolarHBondContact O-N 3.16Å; L249-Y251 VanDerWaalsContact O-N 3.1Å; L249-S252 PolarHBondContact O-N 2.79Å; L249-F254 VanDerWaalsContact O-CE2 3.24Å; L249-F254 WeakPolarHBondContact O-CE2 3.46Å
250P87.2Confident92.3Very high103 Ų10371.5 Ų71.567%0.66936%0.36SS*.G310 helixtrans-63.7-17.3179.9-22.835.3000115L247 K248L247-P250 WeakPolarHBondContact O-CD 3.16Å; K248-P250 VanDerWaalsContact C-CD 3.43Å
251Y86.9Confident92.3Very high209 Ų20972.4 Ų72.482%0.8236%0.364SS*.G310 helixtrans-114.82-176.2-50.5-74.8000113K248 L249K248-Y251 PolarHBondContact O-N 3.21Å; L249-Y251 PolarHBondContact O-N 3.16Å; L249-Y251 VanDerWaalsContact O-N 3.1Å
252S90.3Very high92.4Very high27 Ų2772.4 Ų72.419%0.18936%0.364CS..SBendtrans-100.5153.4-175.4-590000111.5K248 L249 F254K248-S252 PolarHBondContact O-N 2.84Å; K248-S252 VanDerWaalsContact O-N 3.15Å; K248-S252 PolarHBondContact O-OG 2.78Å; L249-S252 PolarHBondContact O-N 2.79Å; S252-F254 VanDerWaalsContact O-CD2 3.23Å; S252-F254 WeakPolarHBondContact O-CD2 3.2Å; S252-F254 WeakPolarHBondContact O-CE2 3.44Å
253T90.6Very high92.6Very high113 Ų11367.8 Ų67.869%0.69335%0.348SS*.  trans-77.9129.1178.348.10000111.6
254F93.6Very high92.9Very high66 Ų6667.6 Ų67.629%0.28935%0.346SS..  trans-97.4108.4-179.8-71.9-111.4000110.8L153 M185 H239 V241 L249 S252 T256L153-F254 HydrophobicContact CD1-CE1 4.14Å; L153-F254 HydrophobicContact CD2-CE1 4Å; M185-F254 HydrophobicContact CE-CE1 3.81Å; M185-F254 HydrophobicContact CE-CZ 4.07Å; M185-F254 HydrophobicContact SD-CE1 3.95Å; M185-F254 HydrophobicContact SD-CZ 4.25Å; H239-F254 HydrophobicContact CB-CD1 4.18Å; H239-F254 AromaticContact ND1-CD1 3.89Å; V241-F254 HydrophobicContact CG2-CD1 3.7Å; V241-F254 HydrophobicContact CG2-CD2 4.48Å; V241-F254 HydrophobicContact CG2-CE1 3.95Å; V241-F254 HydrophobicContact CG2-CG 3.99Å; V241-F254 HydrophobicContact CG2-CZ 4.42Å; L249-F254 VanDerWaalsContact O-CE2 3.24Å; L249-F254 WeakPolarHBondContact O-CE2 3.46Å; S252-F254 VanDerWaalsContact O-CD2 3.23Å; S252-F254 WeakPolarHBondContact O-CD2 3.2Å; S252-F254 WeakPolarHBondContact O-CE2 3.44Å; F254-T256 PolarHBondContact O-N 2.8Å
255R94.7Very high93.2Very high108 Ų10864.2 Ų64.241%0.40833%0.327SS..EExtended strand (participates in β ladder)trans-80.6107.6167-63.7-171.7-176.8-144.913.9108.1D102 H239 I240 Y257D102-R255 PolarHBondContact O-NH1 3.04Å; D102-R255 PolarHBondContact O-NH2 3.14Å; H239-R255 WeakPolarHBondContact CA-O 3.18Å; I240-R255 HydrophobicContact CB-CB 4.41Å; I240-R255 PolarHBondContact N-O 3.12Å; I240-R255 PolarHBondContact O-N 2.9Å; R255-Y257 HydrophobicContact CB-CE2 4.05Å; R255-Y257 WeakPolarHBondContact O-CE2 3.16Å
256T96.5Very high93.5Very high58 Ų5861.2 Ų61.236%0.35631%0.312SS..EExtended strand (participates in β ladder)trans-97.4135-173.7-56.30000111.5R237 F238 H239 F254 V258R237-T256 HydrophobicContact CB-CG2 4.16Å; F238-T256 CarbonylContact O-C 3.51Å; H239-T256 VanDerWaalsContact CE1-CG2 3.4Å; H239-T256 WeakPolarHBondContact CE1-CG2 3.3Å; H239-T256 PolarHBondContact CE1-OG1 2.85Å; H239-T256 PolarHBondContact ND1-OG1 3.13Å; F254-T256 PolarHBondContact O-N 2.8Å; T256-V258 HydrophobicContact CG2-CG2 4.09Å
257Y97.3Very high94Very high46 Ų4657.9 Ų57.918%0.1830%0.295CS..EExtended strand (participates in β ladder)trans-122.9136.3175.9-57.3-95.1000109.7P104 V106 R237 F238 I240 R255P104-Y257 WeakPolarHBondContact CB-OH 3.39Å; P104-Y257 VanDerWaalsContact CG-OH 3.24Å; P104-Y257 WeakPolarHBondContact CG-OH 3.15Å; P104-Y257 WeakPolarHBondContact O-CE1 3.09Å; P104-Y257 PolarHBondContact O-OH 3.17Å; V106-Y257 HydrophobicContact CB-CD1 3.77Å; V106-Y257 HydrophobicContact CB-CE1 4.08Å; V106-Y257 HydrophobicContact CB-CG 4.03Å; V106-Y257 HydrophobicContact CG2-CD1 3.6Å; V106-Y257 HydrophobicContact CG2-CD2 3.81Å; V106-Y257 HydrophobicContact CG2-CE1 3.52Å; V106-Y257 HydrophobicContact CG2-CE2 3.77Å; V106-Y257 HydrophobicContact CG2-CG 3.75Å; R237-Y257 WeakPolarHBondContact CA-O 3.15Å; F238-Y257 AromaticContact CD1-CD2 3.88Å; F238-Y257 HydrophobicContact CD1-CD2 3.88Å; F238-Y257 HydrophobicContact CD1-CG 4.27Å; F238-Y257 HydrophobicContact CE1-CD2 4.32Å; F238-Y257 PolarHBondContact N-O 2.74Å; F238-Y257 PolarHBondContact O-N 3.46Å; I240-Y257 HydrophobicContact CB-CE2 4.31Å; I240-Y257 HydrophobicContact CD1-CD2 4.42Å; I240-Y257 HydrophobicContact CD1-CE2 3.64Å; I240-Y257 HydrophobicContact CG1-CD2 4.3Å; I240-Y257 HydrophobicContact CG1-CE2 3.76Å; R255-Y257 HydrophobicContact CB-CE2 4.05Å; R255-Y257 WeakPolarHBondContact O-CE2 3.16Å
258V97.3Very high94.4Very high71 Ų7155.3 Ų55.343%0.4328%0.284SS..EExtended strand (participates in β ladder)trans-131.9130.4-176.2-167.60000108.5Q235 R237 T256Q235-V258 VanDerWaalsContact CD-CG1 3.44Å; Q235-V258 HydrophobicContact CG-CG1 3.52Å; R237-V258 HydrophobicContact CB-CG2 4.44Å; R237-V258 HydrophobicContact CG-CG1 4.48Å; R237-V258 HydrophobicContact CG-CG2 4.03Å; T256-V258 HydrophobicContact CG2-CG2 4.09Å
259F97.6Very high95Very high27 Ų2753.1 Ų53.112%0.11829%0.285CS..  trans-115.3100.5178.9-63.9-75.5000107.8V106 L108 F137 V139 Q235 E261 T262V106-F259 HydrophobicContact CB-CZ 4.34Å; V106-F259 HydrophobicContact CG1-CE2 4.18Å; V106-F259 HydrophobicContact CG1-CZ 3.91Å; L108-F259 HydrophobicContact CB-CD1 3.83Å; L108-F259 HydrophobicContact CB-CE1 3.87Å; L108-F259 HydrophobicContact CB-CG 4.19Å; L108-F259 HydrophobicContact CB-CZ 4.26Å; L108-F259 HydrophobicContact CD1-CD2 4.34Å; L108-F259 HydrophobicContact CD1-CG 4.41Å; L108-F259 HydrophobicContact CD2-CB 4.24Å; L108-F259 HydrophobicContact CD2-CD1 4.44Å; L108-F259 HydrophobicContact CD2-CG 4.34Å; F137-F259 HydrophobicContact CE2-CD2 4.14Å; F137-F259 AromaticContact CZ-CD2 3.88Å; F137-F259 HydrophobicContact CZ-CD2 3.88Å; F137-F259 HydrophobicContact CZ-CE2 4.2Å; V139-F259 HydrophobicContact CG1-CE2 3.92Å; V139-F259 HydrophobicContact CG1-CZ 4.43Å; Q235-F259 PolarHBondContact NE2-O 3.43Å; F259-E261 WeakPolarHBondContact CA-OE2 3.22Å; F259-E261 WeakPolarHBondContact CB-OE2 3.31Å; F259-E261 PolarHBondContact O-N 2.91Å; F259-T262 HydrophobicContact CB-CG2 3.69Å; F259-T262 WeakPolarHBondContact O-CB 3.35Å; F259-T262 PolarHBondContact O-N 3.19Å; F259-T262 PolarHBondContact O-OG1 3.11Å
260P97.3Very high95.6Very high82 Ų8255.9 Ų55.953%0.53230%0.295SS..G310 helixtrans-57.1-31.2-176.1-26.335.8000113.8T262 D263P260-T262 PolarHBondContact O-N 3.28Å; P260-D263 WeakPolarHBondContact O-CB 3.41Å; P260-D263 VanDerWaalsContact O-CG 3.31Å; P260-D263 PolarHBondContact O-N 3.29Å; P260-D263 VanDerWaalsContact O-N 3.15Å
261E97.1Very high96.1Very high22 Ų2254.2 Ų54.210%0.10328%0.278CS..G310 helixtrans-66.9-10.2174.971.8-86.3-141.300113.9L108 K111 W114 E115 F259L108-E261 HydrophobicContact CD2-CG 3.66Å; L108-E261 WeakPolarHBondContact CD2-OE1 3.3Å; K111-E261 WeakPolarHBondContact CE-OE1 3.26Å; K111-E261 HydrophobicContact CG-CG 4.49Å; W114-E261 HydrophobicContact CB-CG 4.05Å; E115-E261 HydrophobicContact CG-CB 4.34Å; F259-E261 WeakPolarHBondContact CA-OE2 3.22Å; F259-E261 WeakPolarHBondContact CB-OE2 3.31Å; F259-E261 PolarHBondContact O-N 2.91Å
262T97.9Very high96.5Very high0 Ų045 Ų450%024%0.243CC..G310 helixtrans-96.73.6175.2700000113.7L108 W114 F137 Q235 P236 F259 P260L108-T262 HydrophobicContact CD1-CG2 3.86Å; L108-T262 HydrophobicContact CD2-CG2 3.57Å; L108-T262 HydrophobicContact CG-CG2 4.4Å; W114-T262 HydrophobicContact CD2-CG2 3.79Å; W114-T262 HydrophobicContact CE3-CG2 3.93Å; W114-T262 HydrophobicContact CG-CG2 4.17Å; W114-T262 HydrophobicContact CH2-CG2 4.48Å; W114-T262 HydrophobicContact CZ2-CG2 4.38Å; W114-T262 HydrophobicContact CZ3-CG2 4.27Å; F137-T262 HydrophobicContact CD2-CG2 4.19Å; F137-T262 HydrophobicContact CE2-CG2 4.03Å; Q235-T262 PolarHBondContact NE2-OG1 3.38Å; P236-T262 WeakPolarHBondContact CD-O 3.32Å; P236-T262 WeakPolarHBondContact CG-O 3.31Å; F259-T262 HydrophobicContact CB-CG2 3.69Å; F259-T262 WeakPolarHBondContact O-CB 3.35Å; F259-T262 PolarHBondContact O-N 3.19Å; F259-T262 PolarHBondContact O-OG1 3.11Å; P260-T262 PolarHBondContact O-N 3.28Å
263D97.8Very high96.8Very high18 Ų1849.3 Ų49.310%0.09626%0.264CS..  trans-58.6152.6170.479.64.4000111.9H118 T122 K233 Y234 P260H118-D263 IonicContact CE1-OD1 3.91Å; H118-D263 PolarHBondContact CE1-OD1 2.92Å; H118-D263 VanDerWaalsContact CE1-OD1 3.29Å; H118-D263 IonicContact CE1-OD2 3.9Å; H118-D263 IonicContact ND1-OD1 3.45Å; H118-D263 PolarHBondContact ND1-OD1 3Å; H118-D263 IonicContact ND1-OD2 3.21Å; T122-D263 WeakPolarHBondContact CB-O 3.48Å; T122-D263 PolarHBondContact OG1-O 2.85Å; K233-D263 WeakPolarHBondContact CE-OD2 3.28Å; K233-D263 IonicContact NZ-OD2 3.95Å; K233-D263 PolarHBondContact NZ-OD2 2.87Å; Y234-D263 WeakPolarHBondContact O-CA 3.49Å; P260-D263 WeakPolarHBondContact O-CB 3.41Å; P260-D263 VanDerWaalsContact O-CG 3.31Å; P260-D263 PolarHBondContact O-N 3.29Å; P260-D263 VanDerWaalsContact O-N 3.15Å
264F98.4Very high97Very high2 Ų249.8 Ų49.81%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-158160.5177.567.1-93.2000113.1T122 M124 M133 I156 L210 L228 K233 Y234 P236 A266T122-F264 HydrophobicContact CG2-CB 3.69Å; T122-F264 CarbonylContact O-C 3.59Å; T122-F264 VanDerWaalsContact O-CA 3.22Å; T122-F264 WeakPolarHBondContact O-CA 3.34Å; T122-F264 WeakPolarHBondContact O-CB 3.11Å; M124-F264 HydrophobicContact CB-CD2 3.53Å; M124-F264 HydrophobicContact CB-CE2 3.74Å; M124-F264 HydrophobicContact CB-CG 4.12Å; M124-F264 HydrophobicContact CB-CZ 4.47Å; M124-F264 HydrophobicContact CG-CB 3.85Å; M124-F264 HydrophobicContact CG-CD1 3.93Å; M124-F264 HydrophobicContact CG-CD2 3.43Å; M124-F264 VanDerWaalsContact CG-CD2 3.43Å; M124-F264 HydrophobicContact CG-CE1 4.3Å; M124-F264 HydrophobicContact CG-CE2 3.86Å; M124-F264 HydrophobicContact CG-CG 3.47Å; M124-F264 VanDerWaalsContact CG-CG 3.47Å; M124-F264 HydrophobicContact CG-CZ 4.28Å; M133-F264 HydrophobicContact SD-CE1 4.39Å; I156-F264 HydrophobicContact CD1-CZ 4.34Å; I156-F264 HydrophobicContact CG2-CE1 4.34Å; I156-F264 HydrophobicContact CG2-CZ 4.12Å; L210-F264 HydrophobicContact CD1-CE2 3.9Å; L210-F264 HydrophobicContact CD1-CZ 3.79Å; L228-F264 HydrophobicContact CD1-CE2 3.78Å; L228-F264 HydrophobicContact CD1-CZ 3.78Å; K233-F264 CarbonylContact C-O 3.58Å; K233-F264 WeakPolarHBondContact CA-O 3.46Å; Y234-F264 HydrophobicContact CD2-CE2 4.19Å; Y234-F264 HydrophobicContact CG-CE2 4.47Å; Y234-F264 PolarHBondContact N-O 2.97Å; Y234-F264 PolarHBondContact O-N 2.99Å; P236-F264 HydrophobicContact CG-CD1 4.25Å; P236-F264 HydrophobicContact CG-CE1 3.97Å; F264-A266 HydrophobicContact CE2-CB 4.17Å
265I98.1Very high97.2Very high14 Ų1446.7 Ų46.77%0.07224%0.243CC..EExtended strand (participates in β ladder)trans-99.3128.2165.8-63172.8000108.9T122 E123 M124 Y164 W171 H232 K233 V267T122-I265 PolarHBondContact O-N 3.33Å; E123-I265 WeakPolarHBondContact CA-O 3.37Å; M124-I265 PolarHBondContact N-O 3.15Å; Y164-I265 HydrophobicContact CD1-CD1 4.38Å; Y164-I265 HydrophobicContact CG-CD1 4.2Å; W171-I265 HydrophobicContact CB-CD1 4.44Å; W171-I265 HydrophobicContact CD2-CD1 3.48Å; W171-I265 VanDerWaalsContact CD2-CD1 3.48Å; W171-I265 HydrophobicContact CE3-CD1 3.69Å; W171-I265 HydrophobicContact CG-CD1 3.84Å; W171-I265 HydrophobicContact CH2-CB 4.33Å; W171-I265 HydrophobicContact CH2-CD1 4.31Å; W171-I265 HydrophobicContact CH2-CG2 3.66Å; W171-I265 HydrophobicContact CZ2-CB 4.3Å; W171-I265 HydrophobicContact CZ2-CD1 4.18Å; W171-I265 HydrophobicContact CZ2-CG2 4.12Å; W171-I265 HydrophobicContact CZ3-CD1 4.09Å; W171-I265 HydrophobicContact CZ3-CG2 3.95Å; H232-I265 WeakPolarHBondContact O-CA 3.47Å; K233-I265 HydrophobicContact CB-CG1 4.2Å; K233-I265 HydrophobicContact CG-CG1 4.14Å; I265-V267 HydrophobicContact CG2-CG1 4.12Å
266A97.8Very high97.3Very high0 Ų042.9 Ų42.90%023%0.232CC..EExtended strand (participates in β ladder)trans-78.1129.9176.800000109.9I126 L228 S230 M231 H232 Y234 F264I126-A266 HydrophobicContact CD1-CB 4.3Å; I126-A266 HydrophobicContact CG2-CB 3.96Å; L228-A266 HydrophobicContact CB-CB 4.25Å; L228-A266 HydrophobicContact CD1-CB 4.12Å; S230-A266 CarbonylContact C-O 3.54Å; M231-A266 PolarHBondContact N-O 2.93Å; H232-A266 PolarHBondContact O-N 3.32Å; Y234-A266 HydrophobicContact CD2-CB 3.79Å; Y234-A266 HydrophobicContact CE2-CB 3.71Å; F264-A266 HydrophobicContact CE2-CB 4.17Å
267V98.3Very high97.2Very high0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-135.7149.4-175.4-60.40000111.9E123 M124 V125 I126 W171 M231 I265 A269 Q271E123-V267 HydrophobicContact CB-CG2 4.1Å; M124-V267 PolarHBondContact O-N 3.15Å; V125-V267 CarbonylContact C-O 3.59Å; V125-V267 VanDerWaalsContact CA-O 3.22Å; V125-V267 WeakPolarHBondContact CA-O 3.4Å; V125-V267 HydrophobicContact CG2-CG2 4.2Å; I126-V267 PolarHBondContact N-O 2.88Å; W171-V267 HydrophobicContact CH2-CG1 3.92Å; W171-V267 HydrophobicContact CZ2-CG1 4.28Å; M231-V267 HydrophobicContact SD-CG1 4.13Å; I265-V267 HydrophobicContact CG2-CG1 4.12Å; V267-A269 WeakPolarHBondContact CB-O 2.95Å; V267-A269 WeakPolarHBondContact CG2-O 3.37Å; V267-Q271 HydrophobicContact CG1-CG 4.15Å
268T97.3Very high97.2Very high82 Ų8243.9 Ų43.950%0.50324%0.235SC..SBendtrans-77.5-29.3171.847.40000112.7S230S230-T268 PolarHBondContact OG-N 3.01Å
269A97.4Very high97.1Very high54 Ų5440.8 Ų40.845%0.44622%0.215SC..SBendtrans-146.8151.2171.100000109.2V267 Q271V267-A269 WeakPolarHBondContact CB-O 2.95Å; V267-A269 WeakPolarHBondContact CG2-O 3.37Å; A269-Q271 PolarHBondContact O-NE2 2.85Å
270Y97.9Very high97Very high71 Ų7140.6 Ų40.628%0.27822%0.216SC..  trans-57.7143.7179.9-62.8-59.8000111.9E123 V125 I275 T276 K279E123-Y270 HydrophobicContact CB-CD1 4.07Å; E123-Y270 HydrophobicContact CB-CE1 4.45Å; E123-Y270 WeakPolarHBondContact OE2-CA 3.26Å; V125-Y270 HydrophobicContact CG2-CD1 3.86Å; V125-Y270 HydrophobicContact CG2-CD2 4.29Å; V125-Y270 HydrophobicContact CG2-CE1 3.52Å; V125-Y270 HydrophobicContact CG2-CE2 3.98Å; V125-Y270 HydrophobicContact CG2-CG 4.23Å; Y270-I275 HydrophobicContact CD1-CG2 4.22Å; Y270-I275 HydrophobicContact CE1-CG2 4.35Å; Y270-T276 VanDerWaalsContact CB-OG1 3.31Å; Y270-T276 WeakPolarHBondContact CB-OG1 3.49Å; Y270-T276 HydrophobicContact CD2-CG2 4.28Å; Y270-K279 HydrophobicContact CE1-CD 4.3Å; Y270-K279 HydrophobicContact CE1-CG 3.99Å; Y270-K279 HydrophobicContact CE2-CG 4.33Å; Y270-K279 WeakPolarHBondContact OH-CG 3.3Å
271Q97.9Very high96.9Very high68 Ų6840.2 Ų40.232%0.31821%0.209SC..  trans-107.7-43.6-179-55.4-64.7-7500111E123 F166 W171 M231 V267 A269E123-Q271 PolarHBondContact OE2-N 3.27Å; F166-Q271 HydrophobicContact CB-CB 3.64Å; F166-Q271 HydrophobicContact CB-CG 4.1Å; F166-Q271 HydrophobicContact CD1-CB 3.71Å; F166-Q271 WeakPolarHBondContact CD1-O 3.02Å; F166-Q271 HydrophobicContact CD2-CB 4.4Å; F166-Q271 HydrophobicContact CE1-CB 4.43Å; F166-Q271 WeakPolarHBondContact CE1-O 2.87Å; F166-Q271 HydrophobicContact CG-CB 3.68Å; W171-Q271 HydrophobicContact CH2-CB 4.2Å; W171-Q271 HydrophobicContact CH2-CG 3.72Å; W171-Q271 HydrophobicContact CZ2-CB 3.99Å; W171-Q271 HydrophobicContact CZ2-CG 3.96Å; M231-Q271 HydrophobicContact CE-CG 4.27Å; V267-Q271 HydrophobicContact CG1-CG 4.15Å; A269-Q271 PolarHBondContact O-NE2 2.85Å
272N96.4Very high96.8Very high15 Ų1542.7 Ų42.78%0.0822%0.221CC..  trans-93.3109.2177.3-174.50.8000111.1K120 E123 F166 K274 I275 T276K120-N272 PolarHBondContact O-ND2 2.79Å; E123-N272 WeakPolarHBondContact OE1-CB 3.49Å; E123-N272 PolarHBondContact OE1-N 2.94Å; F166-N272 HydrophobicContact CE1-CB 4.23Å; F166-N272 HydrophobicContact CE2-CB 3.99Å; F166-N272 HydrophobicContact CZ-CB 3.61Å; N272-K274 PolarHBondContact O-N 2.82Å; N272-K274 VanDerWaalsContact OD1-CB 3.31Å; N272-K274 WeakPolarHBondContact OD1-CB 3.47Å; N272-K274 PolarHBondContact OD1-N 2.94Å; N272-K274 VanDerWaalsContact OD1-N 3.12Å; N272-I275 HydrophobicContact CB-CB 4.33Å; N272-I275 HydrophobicContact CB-CG1 3.94Å; N272-I275 WeakPolarHBondContact O-CA 3.4Å; N272-I275 VanDerWaalsContact O-CB 3.31Å; N272-I275 WeakPolarHBondContact O-CB 3.39Å; N272-I275 PolarHBondContact O-N 3.2Å; N272-T276 PolarHBondContact O-N 3.44Å; N272-T276 VanDerWaalsContact O-N 3.14Å
273D95.5Very high96.7Very high119 Ų11943.7 Ų43.764%0.63623%0.226SC*.Hα-helixtrans-55.8-26.5176.6-76.8-45.7000113.8I275 T276 Q277D273-I275 VanDerWaalsContact C-N 3.29Å; D273-I275 PolarHBondContact O-N 3.02Å; D273-T276 WeakPolarHBondContact O-CB 3.42Å; D273-T276 PolarHBondContact O-N 3.16Å; D273-T276 VanDerWaalsContact O-N 3.13Å; D273-Q277 WeakPolarHBondContact O-CG 3.46Å; D273-Q277 PolarHBondContact O-N 3.13Å
274K96.1Very high96.5Very high123 Ų12347.5 Ų47.554%0.53525%0.251SS..Hα-helixtrans-67.7-31.8175.5-59.4165.6-175.91660111.3N272 L278N272-K274 PolarHBondContact O-N 2.82Å; N272-K274 VanDerWaalsContact OD1-CB 3.31Å; N272-K274 WeakPolarHBondContact OD1-CB 3.47Å; N272-K274 PolarHBondContact OD1-N 2.94Å; N272-K274 VanDerWaalsContact OD1-N 3.12Å; K274-L278 WeakPolarHBondContact O-CG 3.22Å; K274-L278 PolarHBondContact O-N 3.13Å
275I97Very high96.2Very high0 Ų056.4 Ų56.40%029%0.29CS..Hα-helixtrans-69.6-47.1167.7-63-73000109.3F117 K120 G121 E123 Y270 N272 D273 Q277 L278 K279F117-I275 HydrophobicContact CD1-CD1 3.85Å; F117-I275 HydrophobicContact CD1-CG2 4.27Å; F117-I275 HydrophobicContact CE1-CG2 4.22Å; K120-I275 HydrophobicContact CB-CD1 3.56Å; K120-I275 HydrophobicContact CB-CG1 4.23Å; G121-I275 WeakPolarHBondContact O-CD1 3.36Å; G121-I275 WeakPolarHBondContact O-CG1 3.42Å; E123-I275 HydrophobicContact CB-CG2 4.08Å; E123-I275 HydrophobicContact CG-CG1 4.33Å; E123-I275 HydrophobicContact CG-CG2 4.41Å; Y270-I275 HydrophobicContact CD1-CG2 4.22Å; Y270-I275 HydrophobicContact CE1-CG2 4.35Å; N272-I275 HydrophobicContact CB-CB 4.33Å; N272-I275 HydrophobicContact CB-CG1 3.94Å; N272-I275 WeakPolarHBondContact O-CA 3.4Å; N272-I275 VanDerWaalsContact O-CB 3.31Å; N272-I275 WeakPolarHBondContact O-CB 3.39Å; N272-I275 PolarHBondContact O-N 3.2Å; D273-I275 VanDerWaalsContact C-N 3.29Å; D273-I275 PolarHBondContact O-N 3.02Å; I275-Q277 VanDerWaalsContact C-N 3.32Å; I275-Q277 PolarHBondContact O-N 3.05Å; I275-L278 PolarHBondContact O-N 3.02Å; I275-L278 VanDerWaalsContact O-N 3.11Å; I275-K279 HydrophobicContact CG2-CD 4.39Å; I275-K279 HydrophobicContact CG2-CG 4.02Å; I275-K279 VanDerWaalsContact O-CG 3.28Å; I275-K279 WeakPolarHBondContact O-CG 3.28Å; I275-K279 PolarHBondContact O-N 3.25Å
276T96.1Very high95.9Very high29 Ų2956.4 Ų56.418%0.17829%0.293CS..Hα-helixtrans-52.2-47178.9-54.20000112.4Y270 N272 D273 K279 I280Y270-T276 VanDerWaalsContact CB-OG1 3.31Å; Y270-T276 WeakPolarHBondContact CB-OG1 3.49Å; Y270-T276 HydrophobicContact CD2-CG2 4.28Å; N272-T276 PolarHBondContact O-N 3.44Å; N272-T276 VanDerWaalsContact O-N 3.14Å; D273-T276 WeakPolarHBondContact O-CB 3.42Å; D273-T276 PolarHBondContact O-N 3.16Å; D273-T276 VanDerWaalsContact O-N 3.13Å; T276-K279 PolarHBondContact O-N 2.78Å; T276-I280 HydrophobicContact CG2-CD1 4.09Å; T276-I280 WeakPolarHBondContact O-CG1 3.38Å; T276-I280 PolarHBondContact O-N 3.48Å
277Q95.6Very high95.6Very high101 Ų10162.8 Ų62.847%0.47232%0.32SS..Hα-helixtrans-63.7-49.3175.5-60.8-53.8-27.500111.9D273 I275 K279 I280 D281D273-Q277 WeakPolarHBondContact O-CG 3.46Å; D273-Q277 PolarHBondContact O-N 3.13Å; I275-Q277 VanDerWaalsContact C-N 3.32Å; I275-Q277 PolarHBondContact O-N 3.05Å; Q277-K279 PolarHBondContact O-N 3.01Å; Q277-K279 VanDerWaalsContact O-N 3.15Å; Q277-I280 CarbonylContact O-C 3.49Å; Q277-I280 WeakPolarHBondContact O-CA 3.48Å; Q277-I280 WeakPolarHBondContact O-CB 3.42Å; Q277-I280 PolarHBondContact O-N 3.22Å; Q277-D281 VanDerWaalsContact O-CG 3.26Å; Q277-D281 PolarHBondContact O-N 2.74Å
278L96.1Very high95.2Very high23 Ų2365.2 Ų65.212%0.1235%0.346CS..Hα-helixtrans-55.4-36.6175.5-74.2174.5000112.9L116 F117 K120 K274 I275 H282L116-L278 HydrophobicContact CD1-CD2 4.33Å; L116-L278 HydrophobicContact CD2-CD2 3.7Å; L116-L278 HydrophobicContact CG-CD1 4.14Å; L116-L278 HydrophobicContact CG-CD2 3.87Å; F117-L278 HydrophobicContact CD1-CB 4.19Å; F117-L278 HydrophobicContact CD1-CD1 4.32Å; F117-L278 HydrophobicContact CE1-CB 3.44Å; F117-L278 VanDerWaalsContact CE1-CB 3.44Å; F117-L278 HydrophobicContact CE1-CD1 4.37Å; F117-L278 HydrophobicContact CZ-CB 3.7Å; K120-L278 HydrophobicContact CB-CD1 4.48Å; K120-L278 HydrophobicContact CG-CD1 3.87Å; K274-L278 WeakPolarHBondContact O-CG 3.22Å; K274-L278 PolarHBondContact O-N 3.13Å; I275-L278 PolarHBondContact O-N 3.02Å; I275-L278 VanDerWaalsContact O-N 3.11Å; L278-H282 WeakPolarHBondContact O-CB 3.41Å; L278-H282 PolarHBondContact O-N 2.91Å; L278-H282 VanDerWaalsContact O-N 3.15Å; L278-H282 PolarHBondContact O-ND1 3.3Å
279K96.4Very high94.9Very high6 Ų668 Ų683%0.02635%0.351CS..Hα-helixtrans-66.5-42.4172.8-58.2-72.1-170.5-151.60111F117 E123 F134 Y270 I275 T276 Q277 N283F117-K279 HydrophobicContact CD1-CD 4.47Å; F117-K279 HydrophobicContact CE1-CD 3.55Å; F117-K279 HydrophobicContact CE1-CG 3.92Å; F117-K279 HydrophobicContact CZ-CD 3.75Å; F117-K279 HydrophobicContact CZ-CG 4.28Å; E123-K279 WeakPolarHBondContact O-CE 3.49Å; E123-K279 PolarHBondContact O-NZ 3.26Å; F134-K279 HydrophobicContact CD1-CD 3.81Å; F134-K279 PolarHBondContact O-NZ 2.84Å; Y270-K279 HydrophobicContact CE1-CD 4.3Å; Y270-K279 HydrophobicContact CE1-CG 3.99Å; Y270-K279 HydrophobicContact CE2-CG 4.33Å; Y270-K279 WeakPolarHBondContact OH-CG 3.3Å; I275-K279 HydrophobicContact CG2-CD 4.39Å; I275-K279 HydrophobicContact CG2-CG 4.02Å; I275-K279 VanDerWaalsContact O-CG 3.28Å; I275-K279 WeakPolarHBondContact O-CG 3.28Å; I275-K279 PolarHBondContact O-N 3.25Å; T276-K279 PolarHBondContact O-N 2.78Å; Q277-K279 PolarHBondContact O-N 3.01Å; Q277-K279 VanDerWaalsContact O-N 3.15Å; K279-N283 WeakPolarHBondContact O-CB 3.39Å; K279-N283 PolarHBondContact O-N 3.36Å
280I95.6Very high94.5Very high24 Ų2469.8 Ų69.812%0.12335%0.346CS..Hα-helixtrans-62.2-47177.5-71.6165.2000111.2T276 Q277 A286 F289 R290T276-I280 HydrophobicContact CG2-CD1 4.09Å; T276-I280 WeakPolarHBondContact O-CG1 3.38Å; T276-I280 PolarHBondContact O-N 3.48Å; Q277-I280 CarbonylContact O-C 3.49Å; Q277-I280 WeakPolarHBondContact O-CA 3.48Å; Q277-I280 WeakPolarHBondContact O-CB 3.42Å; Q277-I280 PolarHBondContact O-N 3.22Å; I280-A286 HydrophobicContact CG1-CB 4.48Å; I280-F289 HydrophobicContact CD1-CB 4.07Å; I280-F289 HydrophobicContact CG1-CB 4.07Å; I280-F289 HydrophobicContact CG2-CB 3.97Å; I280-R290 HydrophobicContact CG2-CB 4.35Å; I280-R290 HydrophobicContact CG2-CG 3.53Å; I280-R290 PolarHBondContact O-NE 2.95Å; I280-R290 PolarHBondContact O-NH2 2.89Å
281D95.1Very high93.1Very high73 Ų7372.5 Ų72.539%0.3937%0.366SS..Hα-helixtrans-72.2-31.1-174-62.3-30.7000113.8Q277 R290Q277-D281 VanDerWaalsContact O-CG 3.26Å; Q277-D281 PolarHBondContact O-N 2.74Å; D281-R290 VanDerWaalsContact C-CZ 3.49Å; D281-R290 PolarHBondContact O-NH1 2.85Å; D281-R290 PolarHBondContact O-NH2 2.93Å
282H94.9Very high91.3Very high75 Ų7572.5 Ų72.535%0.34737%0.371SS..Hα-helixtrans-105.4-25.2-176.4-6086.9000113.6L113 F134 L278 P284L113-H282 HydrophobicContact CD1-CB 3.99Å; L113-H282 HydrophobicContact CD2-CB 4.42Å; F134-H282 HydrophobicContact CE1-CB 3.9Å; F134-H282 VanDerWaalsContact CZ-C 3.4Å; F134-H282 HydrophobicContact CZ-CB 3.81Å; F134-H282 WeakPolarHBondContact CZ-O 3.45Å; L278-H282 WeakPolarHBondContact O-CB 3.41Å; L278-H282 PolarHBondContact O-N 2.91Å; L278-H282 VanDerWaalsContact O-N 3.15Å; L278-H282 PolarHBondContact O-ND1 3.3Å; H282-P284 WeakPolarHBondContact O-CD 3.38Å
283N95.1Very high89.4Confident21 Ų2174.1 Ų74.111%0.11239%0.39CS..  trans-84.3120.2-179.2-169.3-18.6000111.4F134 K279 F285 A286 R290F134-N283 HydrophobicContact CD1-CB 4.1Å; F134-N283 HydrophobicContact CD2-CB 3.9Å; F134-N283 HydrophobicContact CE1-CB 3.96Å; F134-N283 HydrophobicContact CE2-CB 3.75Å; F134-N283 HydrophobicContact CG-CB 4.08Å; F134-N283 HydrophobicContact CZ-CB 3.8Å; K279-N283 WeakPolarHBondContact O-CB 3.39Å; K279-N283 PolarHBondContact O-N 3.36Å; N283-F285 PolarHBondContact O-N 2.95Å; N283-F285 WeakPolarHBondContact OD1-CB 3.2Å; N283-F285 WeakPolarHBondContact OD1-CD2 3.34Å; N283-F285 PolarHBondContact OD1-N 3.02Å; N283-A286 HydrophobicContact CB-CB 4.07Å; N283-A286 PolarHBondContact O-N 3.09Å; N283-R290 PolarHBondContact O-NH2 2.75Å
284P93.6Very high87.6Confident97 Ų9775 Ų7563%0.6340%0.395SS*.G310 helixtrans-58.3-35.1176.8-2535.5000113.1H282 A286 K287H282-P284 WeakPolarHBondContact O-CD 3.38Å; P284-A286 PolarHBondContact O-N 3.09Å; P284-K287 WeakPolarHBondContact O-CB 3.38Å; P284-K287 PolarHBondContact O-N 3.47Å
285F92.2Very high85.6Confident189 Ų18971.6 Ų71.683%0.82940%0.395SS*.G310 helixtrans-72.1-7.1178.9-59.2-73.7000113.7N283N283-F285 PolarHBondContact O-N 2.95Å; N283-F285 WeakPolarHBondContact OD1-CB 3.2Å; N283-F285 WeakPolarHBondContact OD1-CD2 3.34Å; N283-F285 PolarHBondContact OD1-N 3.02Å
286A92.7Very high83.6Confident15 Ų1581.1 Ų81.112%0.12443%0.431CS..G310 helixtrans-106.13.317600000113.4I280 N283 P284 G288 F289I280-A286 HydrophobicContact CG1-CB 4.48Å; N283-A286 HydrophobicContact CB-CB 4.07Å; N283-A286 PolarHBondContact O-N 3.09Å; P284-A286 PolarHBondContact O-N 3.09Å; A286-G288 VanDerWaalsContact C-N 3.27Å; A286-G288 PolarHBondContact O-N 3.25Å; A286-G288 VanDerWaalsContact O-N 3.09Å; A286-F289 PolarHBondContact O-N 3.21Å
287K89.4Confident81.7Confident133 Ų13388.7 Ų88.758%0.57846%0.456SS*.G310 helixtrans-50-41.5-172.8-174.6178.5177.2-178.80114P284 F289 R290P284-K287 WeakPolarHBondContact O-CB 3.38Å; P284-K287 PolarHBondContact O-N 3.47Å; K287-F289 PolarHBondContact O-N 3.2Å; K287-R290 WeakPolarHBondContact O-CB 3.27Å; K287-R290 WeakPolarHBondContact O-CG 3.25Å; K287-R290 PolarHBondContact O-N 2.66Å; K287-R290 VanDerWaalsContact O-N 3.09Å
288G91.1Very high79.9Confident52 Ų5287.5 Ų87.554%0.53645%0.45SS..G310 helixtrans-62-14.7-178.300000115.8A286 T292A286-G288 VanDerWaalsContact C-N 3.27Å; A286-G288 PolarHBondContact O-N 3.25Å; A286-G288 VanDerWaalsContact O-N 3.09Å; G288-T292 PolarHBondContact O-OG1 3.2Å
289F89.8Confident78.1Confident140 Ų14093 Ų9361%0.61447%0.473SS*.G310 helixtrans-85.4-21.7176.1-66.5-76.8000113.7I280 A286 K287 G293I280-F289 HydrophobicContact CD1-CB 4.07Å; I280-F289 HydrophobicContact CG1-CB 4.07Å; I280-F289 HydrophobicContact CG2-CB 3.97Å; A286-F289 PolarHBondContact O-N 3.21Å; K287-F289 PolarHBondContact O-N 3.2Å; F289-G293 PolarHBondContact O-N 3.05Å
290R88.9Confident76.3Confident91 Ų91102.6 Ų102.634%0.34351%0.509SS..THydrogen-bonded Turntrans-58.6-58.6-178.5-63.3172-163.8-156.81.6111.2I280 D281 N283 K287 T292I280-R290 HydrophobicContact CG2-CB 4.35Å; I280-R290 HydrophobicContact CG2-CG 3.53Å; I280-R290 PolarHBondContact O-NE 2.95Å; I280-R290 PolarHBondContact O-NH2 2.89Å; D281-R290 VanDerWaalsContact C-CZ 3.49Å; D281-R290 PolarHBondContact O-NH1 2.85Å; D281-R290 PolarHBondContact O-NH2 2.93Å; N283-R290 PolarHBondContact O-NH2 2.75Å; K287-R290 WeakPolarHBondContact O-CB 3.27Å; K287-R290 WeakPolarHBondContact O-CG 3.25Å; K287-R290 PolarHBondContact O-N 2.66Å; K287-R290 VanDerWaalsContact O-N 3.09Å; R290-T292 VanDerWaalsContact C-N 3.35Å; R290-T292 PolarHBondContact O-N 2.86Å
291D69.4Low74.6Confident129 Ų129106.1 Ų106.169%0.6952%0.524SS*.THydrogen-bonded Turntrans-81.2-18.4-171.2-44.1-53.6000112.5
292T59.8Low73Confident68 Ų68108 Ų10842%0.41753%0.53SS..Hα-helixtrans-88.2-25.3-174.5-52.50000113.2G288 R290 N294 R296G288-T292 PolarHBondContact O-OG1 3.2Å; R290-T292 VanDerWaalsContact C-N 3.35Å; R290-T292 PolarHBondContact O-N 2.86Å; T292-N294 PolarHBondContact O-N 3.15Å; T292-R296 HydrophobicContact CG2-CB 4.1Å
293G57.3Low71.3Confident48 Ų48109 Ų10950%0.49554%0.537SS..Hα-helixtrans-55.1-44-169.100000114.6F289F289-G293 PolarHBondContact O-N 3.05Å
294N56.5Low70.1Confident139 Ų139110.6 Ų110.674%0.74355%0.554SS**Hα-helixtrans-100.7-49.3-173.7-65.244.2000111.9T292 R296 E298T292-N294 PolarHBondContact O-N 3.15Å; N294-R296 PolarHBondContact O-N 3.07Å; N294-E298 WeakPolarHBondContact O-CB 3.47Å; N294-E298 PolarHBondContact O-N 2.88Å
295G54.4Low68.8Low50 Ų50111 Ų11152%0.51555%0.55SS.*Hα-helixtrans-65.2-39.9-169.800000115.1K299G295-K299 WeakPolarHBondContact O-CB 3.31Å; G295-K299 PolarHBondContact O-N 2.83Å; G295-K299 VanDerWaalsContact O-N 3.15Å
296R55Low67.5Low201 Ų201107.8 Ų107.876%0.75854%0.538SS*.Hα-helixtrans-82.1-32.6-170.4-158.5175.9-173.4-169.82.5113.6T292 N294 R300T292-R296 HydrophobicContact CG2-CB 4.1Å; N294-R296 PolarHBondContact O-N 3.07Å; R296-R300 PolarHBondContact O-N 3.42Å
297R56Low66.2Low187 Ų187110.1 Ų110.171%0.70655%0.553SS**Hα-helixtrans-72.4-41.9174.5-169.4176.4-173.1179.71.6110.8R300 K301R297-R300 PolarHBondContact O-N 3.33Å; R297-K301 PolarHBondContact O-N 3.06Å; R297-K301 VanDerWaalsContact O-N 3.09Å
298E59.3Low65Low76 Ų76110 Ų11036%0.35556%0.556SS.*Hα-helixtrans-70.2-38.3-178.1-146.555.8-138.200111.8N294 R300 K301 Q302N294-E298 WeakPolarHBondContact O-CB 3.47Å; N294-E298 PolarHBondContact O-N 2.88Å; E298-R300 VanDerWaalsContact C-N 3.25Å; E298-R300 PolarHBondContact O-N 3.33Å; E298-K301 PolarHBondContact O-N 3.41Å; E298-K301 VanDerWaalsContact O-N 3.13Å; E298-K301 VanDerWaalsContact OE1-CD 3.23Å; E298-K301 WeakPolarHBondContact OE1-CD 3.45Å; E298-K301 IonicContact OE1-NZ 3.83Å; E298-K301 WeakPolarHBondContact OE2-CD 3.33Å; E298-K301 IonicContact OE2-NZ 2.66Å; E298-K301 PolarHBondContact OE2-NZ 3.15Å; E298-Q302 WeakPolarHBondContact O-CB 3.35Å; E298-Q302 WeakPolarHBondContact O-CG 3.44Å; E298-Q302 PolarHBondContact O-N 3.28Å
299K56.7Low63.9Low138 Ų138116.1 Ų116.160%0.656%0.563SS**Hα-helixtrans-58.8-34.5170.8-171.2167.3-175.5171.80112.9G295 L303G295-K299 WeakPolarHBondContact O-CB 3.31Å; G295-K299 PolarHBondContact O-N 2.83Å; G295-K299 VanDerWaalsContact O-N 3.15Å; K299-L303 HydrophobicContact CG-CD1 4.08Å; K299-L303 HydrophobicContact CG-CG 4.48Å; K299-L303 WeakPolarHBondContact O-CB 3.45Å; K299-L303 WeakPolarHBondContact O-CD1 3.46Å; K299-L303 VanDerWaalsContact O-CG 3.24Å; K299-L303 WeakPolarHBondContact O-CG 3.41Å; K299-L303 PolarHBondContact O-N 3.09Å
300R59.7Low62.4Low209 Ų209112.4 Ų112.479%0.78956%0.555SS**Hα-helixtrans-71.1-38175.8-161.7178.6-168.1-175.94.2112.3R296 R297 E298 A304R296-R300 PolarHBondContact O-N 3.42Å; R297-R300 PolarHBondContact O-N 3.33Å; E298-R300 VanDerWaalsContact C-N 3.25Å; E298-R300 PolarHBondContact O-N 3.33Å; R300-A304 WeakPolarHBondContact O-CB 3.42Å; R300-A304 PolarHBondContact O-N 2.91Å; R300-A304 VanDerWaalsContact O-N 3.12Å
301K60Low60.9Low98 Ų98115.6 Ų115.643%0.42657%0.568SS.*Hα-helixtrans-68.4-44.1172.9-74.1172.7173.3176.50112.5R297 E298 L303 A304 L305R297-K301 PolarHBondContact O-N 3.06Å; R297-K301 VanDerWaalsContact O-N 3.09Å; E298-K301 PolarHBondContact O-N 3.41Å; E298-K301 VanDerWaalsContact O-N 3.13Å; E298-K301 VanDerWaalsContact OE1-CD 3.23Å; E298-K301 WeakPolarHBondContact OE1-CD 3.45Å; E298-K301 IonicContact OE1-NZ 3.83Å; E298-K301 WeakPolarHBondContact OE2-CD 3.33Å; E298-K301 IonicContact OE2-NZ 2.66Å; E298-K301 PolarHBondContact OE2-NZ 3.15Å; K301-L303 VanDerWaalsContact C-N 3.35Å; K301-L303 PolarHBondContact O-N 2.79Å; K301-A304 WeakPolarHBondContact O-CB 3.49Å; K301-A304 PolarHBondContact O-N 3.13Å; K301-A304 VanDerWaalsContact O-N 3.14Å; K301-L305 WeakPolarHBondContact O-CG 3.36Å; K301-L305 PolarHBondContact O-N 3.25Å
302Q60.5Low60.5Low112 Ų112116.1 Ų116.152%0.52357%0.566SS.*Hα-helixtrans-62.5-41.7178.7-74.2176.4-10.400111.3E298 A304 L305 Q306E298-Q302 WeakPolarHBondContact O-CB 3.35Å; E298-Q302 WeakPolarHBondContact O-CG 3.44Å; E298-Q302 PolarHBondContact O-N 3.28Å; Q302-A304 VanDerWaalsContact C-N 3.35Å; Q302-L305 PolarHBondContact O-N 3.13Å; Q302-Q306 WeakPolarHBondContact O-CB 3.23Å; Q302-Q306 WeakPolarHBondContact O-CG 3.49Å; Q302-Q306 PolarHBondContact O-N 3.18Å
303L60.8Low60.4Low95 Ų95119.9 Ų119.950%0.49758%0.579SS.*Hα-helixtrans-65.1-36.1172.7-73170.2000112.5K299 K301 S307K299-L303 HydrophobicContact CG-CD1 4.08Å; K299-L303 HydrophobicContact CG-CG 4.48Å; K299-L303 WeakPolarHBondContact O-CB 3.45Å; K299-L303 WeakPolarHBondContact O-CD1 3.46Å; K299-L303 VanDerWaalsContact O-CG 3.24Å; K299-L303 WeakPolarHBondContact O-CG 3.41Å; K299-L303 PolarHBondContact O-N 3.09Å; K301-L303 VanDerWaalsContact C-N 3.35Å; K301-L303 PolarHBondContact O-N 2.79Å; L303-S307 VanDerWaalsContact O-CB 3.31Å; L303-S307 WeakPolarHBondContact O-CB 3.41Å; L303-S307 PolarHBondContact O-N 3.14Å
304A69.1Low60.4Low56 Ų56124 Ų12446%0.46359%0.585SS.*Hα-helixtrans-66.7-44.117300000112.2R300 K301 Q302 S307 M308R300-A304 WeakPolarHBondContact O-CB 3.42Å; R300-A304 PolarHBondContact O-N 2.91Å; R300-A304 VanDerWaalsContact O-N 3.12Å; K301-A304 WeakPolarHBondContact O-CB 3.49Å; K301-A304 PolarHBondContact O-N 3.13Å; K301-A304 VanDerWaalsContact O-N 3.14Å; Q302-A304 VanDerWaalsContact C-N 3.35Å; A304-S307 WeakPolarHBondContact O-CB 3.41Å; A304-S307 PolarHBondContact O-N 3.5Å; A304-M308 WeakPolarHBondContact O-CG 3.46Å; A304-M308 PolarHBondContact O-N 3.48Å
305L65.6Low60.3Low106 Ų106123.6 Ų123.656%0.55558%0.579SS**Hα-helixtrans-68.8-34177.6-70.4170.9000112.6K301 Q302 R309K301-L305 WeakPolarHBondContact O-CG 3.36Å; K301-L305 PolarHBondContact O-N 3.25Å; Q302-L305 PolarHBondContact O-N 3.13Å; L305-R309 WeakPolarHBondContact O-CG 3.39Å; L305-R309 PolarHBondContact O-N 3.04Å
306Q65.6Low60.3Low120 Ų120129.8 Ų129.856%0.56159%0.592SS**Hα-helixtrans-64.2-46.9168-78.7-178.8-29.100110.8Q302 M308 R309 S310Q302-Q306 WeakPolarHBondContact O-CB 3.23Å; Q302-Q306 WeakPolarHBondContact O-CG 3.49Å; Q302-Q306 PolarHBondContact O-N 3.18Å; Q306-M308 VanDerWaalsContact C-N 3.27Å; Q306-M308 PolarHBondContact O-N 2.82Å; Q306-R309 PolarHBondContact O-N 2.82Å; Q306-R309 VanDerWaalsContact O-N 3.14Å; Q306-S310 PolarHBondContact O-N 3.48Å; Q306-S310 PolarHBondContact O-OG 3.12Å
307S66.3Low60.3Low64 Ų64129 Ų12945%0.44859%0.594SS.*Hα-helixtrans-59-36.1177.4-1690000113L303 A304 Y311L303-S307 VanDerWaalsContact O-CB 3.31Å; L303-S307 WeakPolarHBondContact O-CB 3.41Å; L303-S307 PolarHBondContact O-N 3.14Å; A304-S307 WeakPolarHBondContact O-CB 3.41Å; A304-S307 PolarHBondContact O-N 3.5Å; S307-Y311 WeakPolarHBondContact O-CD2 3.49Å; S307-Y311 PolarHBondContact O-N 3.39Å
308M63.6Low59.9Low132 Ų132128.1 Ų128.165%0.6560%0.597SS**Hα-helixtrans-65-49173.5-70.1-60.7-61.600111.6A304 Q306 S310 Y311 E312A304-M308 WeakPolarHBondContact O-CG 3.46Å; A304-M308 PolarHBondContact O-N 3.48Å; Q306-M308 VanDerWaalsContact C-N 3.27Å; Q306-M308 PolarHBondContact O-N 2.82Å; M308-S310 VanDerWaalsContact C-N 3.3Å; M308-S310 PolarHBondContact O-N 3.12Å; M308-Y311 PolarHBondContact O-N 3.35Å; M308-E312 PolarHBondContact O-N 3.41Å; M308-E312 VanDerWaalsContact O-N 3.08Å
309R68.6Low59.6Low180 Ų180131.9 Ų131.968%0.67962%0.62SS**Hα-helixtrans-61.3-37.1177.8-69.8179.1-173.5-173.61.4112.5L305 Q306 Y311 E312 E313L305-R309 WeakPolarHBondContact O-CG 3.39Å; L305-R309 PolarHBondContact O-N 3.04Å; Q306-R309 PolarHBondContact O-N 2.82Å; Q306-R309 VanDerWaalsContact O-N 3.14Å; R309-Y311 VanDerWaalsContact C-N 3.35Å; R309-Y311 PolarHBondContact O-N 3.14Å; R309-E312 PolarHBondContact O-N 2.93Å; R309-E313 WeakPolarHBondContact O-CB 3.49Å; R309-E313 PolarHBondContact O-N 3.37Å
310S57.6Low59.3Low62 Ų62128.2 Ų128.243%0.43462%0.621SS.*Hα-helixtrans-64.8-36176.2-61.30000113Q306 M308 Q314Q306-S310 PolarHBondContact O-N 3.48Å; Q306-S310 PolarHBondContact O-OG 3.12Å; M308-S310 VanDerWaalsContact C-N 3.3Å; M308-S310 PolarHBondContact O-N 3.12Å; S310-Q314 WeakPolarHBondContact O-CG 3.38Å; S310-Q314 PolarHBondContact O-N 3.35Å; S310-Q314 VanDerWaalsContact O-N 3.13Å
311Y58.3Low58.8Low158 Ų158123 Ų12362%0.6262%0.624SS**Hα-helixtrans-68.2-42.1173.4-100.3-97.3000112S307 M308 R309 Q314 Q315S307-Y311 WeakPolarHBondContact O-CD2 3.49Å; S307-Y311 PolarHBondContact O-N 3.39Å; M308-Y311 PolarHBondContact O-N 3.35Å; R309-Y311 VanDerWaalsContact C-N 3.35Å; R309-Y311 PolarHBondContact O-N 3.14Å; Y311-Q314 PolarHBondContact O-N 3.22Å; Y311-Q315 PolarHBondContact O-N 2.92Å
312E60.9Low57.8Low139 Ų139124.4 Ų124.465%0.6565%0.646SS**Hα-helixtrans-65-39.9178.8-164.9169-138.700111.9M308 R309 K316M308-E312 PolarHBondContact O-N 3.41Å; M308-E312 VanDerWaalsContact O-N 3.08Å; R309-E312 PolarHBondContact O-N 2.93Å; E312-K316 PolarHBondContact O-N 3.3Å; E312-K316 VanDerWaalsContact O-N 3.17Å
313E57.1Low56.8Low147 Ų147127 Ų12769%0.68766%0.663SS**Hα-helixtrans-69.9-30.7174.9-170.6169.3-146.800112.9R309R309-E313 WeakPolarHBondContact O-CB 3.49Å; R309-E313 PolarHBondContact O-N 3.37Å
314Q56.9Low55.7Low134 Ų134129.2 Ų129.263%0.62668%0.675SS**Hα-helixtrans-71.2-46.3172.5-77.6-175.6-64.100112.3S310 Y311 K316 K317 E318S310-Q314 WeakPolarHBondContact O-CG 3.38Å; S310-Q314 PolarHBondContact O-N 3.35Å; S310-Q314 VanDerWaalsContact O-N 3.13Å; Y311-Q314 PolarHBondContact O-N 3.22Å; Q314-K316 VanDerWaalsContact C-N 3.29Å; Q314-K316 PolarHBondContact O-N 3.43Å; Q314-K317 PolarHBondContact O-N 3.14Å; Q314-E318 PolarHBondContact O-N 3.19Å
315Q54.9Low54.2Low131 Ų131131.2 Ų131.261%0.61269%0.686SS**Hα-helixtrans-60.4-38.2177.6-73.7-174.6-13.200112.4Y311 K317 E318Y311-Q315 PolarHBondContact O-N 2.92Å; Q315-K317 PolarHBondContact O-N 3.15Å; Q315-E318 PolarHBondContact O-N 2.9Å
316K54Low53.1Low181 Ų181131.8 Ų131.879%0.78770%0.699SS**Hα-helixtrans-67.8-14.4176.7-166167-177176.20113.8E312 Q314E312-K316 PolarHBondContact O-N 3.3Å; E312-K316 VanDerWaalsContact O-N 3.17Å; Q314-K316 VanDerWaalsContact C-N 3.29Å; Q314-K316 PolarHBondContact O-N 3.43Å
317K54.2Low51.5Low185 Ų185129.8 Ų129.880%0.80471%0.71SS**Hα-helixtrans-97.1-14.1179.9-158.7170.1-175.7176.80113.9Q314 Q315Q314-K317 PolarHBondContact O-N 3.14Å; Q315-K317 PolarHBondContact O-N 3.15Å
318E48.8Very low50Low167 Ų167134.7 Ų134.778%0.7873%0.726SS**Hα-helixtrans-88.3-38.3177.9-162.1160.6-139.200111.7Q314 Q315 G320Q314-E318 PolarHBondContact O-N 3.19Å; Q315-E318 PolarHBondContact O-N 2.9Å; E318-G320 PolarHBondContact O-N 3.06Å
319N52.4Low48.7Very low155 Ų155136.4 Ų136.483%0.82973%0.733SS**SBendtrans-79.638.9177.7-66.9-4.1000113.6
320G51.4Low46.9Very low61 Ų61132.8 Ų132.863%0.62974%0.741SS**  trans-126.56-161.600000117.9E318E318-G320 PolarHBondContact O-N 3.06Å
321A49Very low45.7Very low101 Ų101134.1 Ų134.184%0.83575%0.75SS**  trans-15980.8-176.300000115.7
322S37.8Very low44.3Very low127 Ų127136.4 Ų136.489%0.88876%0.764SS**  trans-166.1128148.6590000110.2
323D40.7Very low43.1Very low165 Ų165138.7 Ų138.788%0.88277%0.772SS**  trans-139.8157.3175.2-164.58.9000109.4
324D37.6Very low41.6Very low143 Ų143136.6 Ų136.677%0.76577%0.772SS**  trans59.7125.3-171.8-156.260.4000115
325S37.8Very low40.3Very low98 Ų98139.4 Ų139.469%0.68578%0.783SS**  -162.9179.254.3-148.10000114.7
326S41.2Very low39.2Very low118 Ų118137 Ų13783%0.82579%0.793SS**  trans-82.7153.8-166.261.60000117.1
327G31.9Very low38.2Very low78 Ų78136.9 Ų136.980%0.80480%0.795SS**  trans-171.6142.6164.700000113.7
328E35.7Very low37.2Very low166 Ų166132.2 Ų132.278%0.77679%0.791SS**  trans-96.4160.2-175-78.4-16480.900115.3
329Q35.7Very low36.5Very low169 Ų169129.2 Ų129.279%0.7979%0.789SS**  trans23.1122.8149-58.2-178.561.100120.3
330A31.9Very low35.7Very low104 Ų104127.2 Ų127.286%0.8679%0.787SS**  -167.9154.6119.900000113.5
331S31.1Very low35.7Very low89 Ų89130 Ų13062%0.62279%0.793SS**  trans-74.6156.7168-1780000111.6
332F30.3Very low35.1Very low207 Ų207129.6 Ų129.691%0.90879%0.791SS**  -172162.6118.8-91.6-57.8000112.1
333K33.7Very low34.8Very low187 Ų187130.5 Ų130.581%0.81379%0.79SS**  trans-119156.3179.3-62.6176.9178.1176.60110.6
334C27.6Very low34.3Very low103 Ų103127.3 Ų127.370%0.69678%0.781SS**  139.1127.1123.5-80.70000117.2
335F29.7Very low34Very low193 Ų193126 Ų12685%0.84678%0.778SS**  trans67.7140.6138.4-83.4-104000122.7
336G30.2Very low33.7Very low81 Ų81128.2 Ų128.284%0.83579%0.788SS**  trans159.573.1174.700000111.5
337Q33.7Very low33.1Very low178 Ų178125.7 Ų125.783%0.83278%0.78SS**  trans-128.8129.6-166.6-170.4-175.511.200113.6
338A32.8Very low33.7Very low86 Ų86128 Ų12871%0.71178%0.781SS**  trans-164.8106.316300000107.9
339S33.4Very low34.5Very low105 Ų105125.8 Ų125.873%0.73478%0.781SS**  66.8135.282.272.10000114.3
340S36Very low34.2Very low112 Ų112125.6 Ų125.678%0.78378%0.78SS**  cis177.6-179.6-1-98.60000107.8
341P52.4Low34.4Very low119 Ų119127.2 Ų127.277%0.77377%0.773SS**  cis-134170.5-22.535.5-16.4000115.9
342A35.1Very low34.4Very low94 Ų94131 Ų13178%0.77778%0.778SS**  trans35.1132.814500000124.7
343V33Very low34.1Very low145 Ų145128.3 Ų128.388%0.87977%0.773SS**  169.5147.7118.3146.80000108.9
344S29Very low33.8Very low99 Ų99128 Ų12869%0.69277%0.772SS**  cis179.8151.8-23.9-171.50000108
345T31.1Very low33.8Very low115 Ų115128.1 Ų128.171%0.70677%0.773SS**  cis-170.6133.5-23.5-76.60000109
346V31.8Very low33.7Very low145 Ų145125.8 Ų125.888%0.87977%0.769SS**  trans66.2141.7167.5172.90000117.4
347G28.3Very low33.9Very low65 Ų65125.9 Ų125.967%0.6776%0.758SS**  cis143.9-177.51.100000109.9
348P45.7Very low33.9Very low125 Ų125125.1 Ų125.181%0.81275%0.754SS**  cis-121.2-138.7-25.844.2-26.3000109.1
349P52.3Low33.9Very low120 Ų120130 Ų13078%0.77976%0.762SS**  cis-127.1-176.3-31.240.6-25.1000113.8
350H29.8Very low33.9Very low166 Ų166132 Ų13277%0.76976%0.764SS**  trans-152.6122160.6-173.3-105.5000114.5
351L35.7Very low33.8Very low137 Ų137130.8 Ų130.872%0.71776%0.756SS**  trans50.6116.8149.6-162.8146000121.9
352K31.2Very low32.8Very low168 Ų168132.4 Ų132.473%0.7376%0.758SS**  -173.2137.2128.5-113.4-170.5-179.6-172.30112.1
353D23.3Very low32.9Very low151 Ų151135.3 Ų135.381%0.80776%0.761SS**  170.9-176.8118.7-86.3-21.8000111.9
354F28.3Very low33.2Very low181 Ų181136.1 Ų136.179%0.79476%0.755SS**  trans-116.8170.7-155.7-89.2-101000114.8
355C27.7Very low33.4Very low105 Ų105137.2 Ų137.271%0.70976%0.762SS**  trans70.1159.3167.3-60.90000116
356D28Very low33.8Very low144 Ų144139.2 Ų139.277%0.7776%0.761SS**  cis-175.1168.7-27.1-85.3-22.6000104.4
357S33.9Very low34Very low84 Ų84139.1 Ų139.159%0.58776%0.756SS**  cis-168.3178-3.6-114.50000105.8
358E34.1Very low34.1Very low162 Ų162140.1 Ų140.176%0.75777%0.766SS**  cis-163.1-168.4-18.151.4-144132.900108.7
359E33Very low33.5Very low188 Ų188140.3 Ų140.388%0.87976%0.761SS**  trans66.6153.8-178.3-60.1177.5133.500115.6
360D33Very low32.7Very low146 Ų146141.6 Ų141.678%0.78176%0.756SS**  cis-145.5170.313.6-163.28.4000112.8
361S33.4Very low32.9Very low87 Ų87141.8 Ų141.861%0.60875%0.754SS**  trans-48.5169.1177.3-86.80000118.5
362D32Very low32.7Very low153 Ų153142.3 Ų142.382%0.81876%0.758SS**  cis-160.3156.8-8-113.3-44.9000109.4
363D35.8Very low32.7Very low155 Ų155137.6 Ų137.683%0.82976%0.757SS**  trans-149.198.3169.3-171.3-10.8000112.2
364E39.3Very low33.8Very low163 Ų163136.6 Ų136.676%0.76276%0.759SS**  trans-159.6143.4148.6-131.6-160.6116.500112.6
365S34.1Very low33.8Very low121 Ų121135 Ų13585%0.84676%0.759SS**  -175155.9126.738.30000111.6
366K39Very low34.1Very low158 Ų158134.9 Ų134.969%0.68776%0.759SS**  trans-148.9153.2-154.3168.3-177168.9-170.30111.4
367D35.3Very low34.3Very low142 Ų142134 Ų13476%0.75976%0.763SS**  trans30.7118164.1-60.6-38.2000119.4
368G31.8Very low34.2Very low86 Ų86139.1 Ų139.189%0.88778%0.775SS**  trans-176.3104.5164.400000115.2
369N33.7Very low34.1Very low130 Ų130139.7 Ų139.770%0.69578%0.782SS**  trans-131.1112.8169.9159.361.2000110.9
370H33.8Very low34Very low146 Ų146135.1 Ų135.168%0.67677%0.77SS**  176.6142.7127.2-101.1-56.6000112.1
371K34.6Very low33.9Very low171 Ų171133.7 Ų133.774%0.74377%0.767SS**  trans47.5141.8140.1-71.9-177.3177.1-173.10120
372D32.4Very low34.1Very low148 Ų148135.9 Ų135.979%0.79178%0.777SS**  cis-138-174.726.2-89.9-53.6000112.9
373G29.3Very low34.3Very low69 Ų69135.5 Ų135.571%0.71178%0.781SS**  trans-89.4-157.7173.100000114
374P47.3Very low34.2Very low130 Ų130131.9 Ų131.984%0.84478%0.78SS**  cis-138.4-160.114.144.6-26.2000115.3
375D28.7Very low34Very low148 Ų148132.5 Ų132.579%0.79179%0.788SS**  trans85.1172.5162.2-131.3-28.7000118.8
376S33.1Very low34Very low101 Ų101129.8 Ų129.871%0.70678%0.779SS**  -142.8150.1-12964.40000116.4
377S32.8Very low33.9Very low125 Ų125130.8 Ų130.887%0.87478%0.784SS**  trans-157.9147.8143.650.90000110.3
378K32.7Very low33.9Very low192 Ų192129.1 Ų129.184%0.83578%0.775SS**  trans-109.2150.3-177.6-53.4168.7-176.21720109.9
379I31.3Very low34.2Very low175 Ų175132.4 Ų132.490%0.89777%0.767SS**  trans-137139.2134.2-47.5178.6000107.3
380S29.8Very low34.2Very low91 Ų91134.2 Ų134.264%0.63677%0.771SS**  trans-132.4135.7-179.1-61.30000112.2
381T31.9Very low34.1Very low116 Ų116130.5 Ų130.571%0.71277%0.765SS**  31.5114126-19.60000119
382T37.5Very low34.3Very low134 Ų134128 Ų12882%0.82277%0.769SS**  trans64.2147.6141.153.70000122.3
383T37.1Very low35.5Very low145 Ų145126.9 Ų126.989%0.8977%0.77SS**  trans-80.6145.5173.849.30000113.8
384G32.7Very low35.6Very low78 Ų78128.5 Ų128.580%0.80478%0.777SS**  trans152.8121.5157.400000115.7
385D36.2Very low35Very low176 Ų176132.5 Ų132.594%0.94178%0.781SS**  trans-65160.1160.4-67.8-81.1000111.5
386G33.9Very low35Very low64 Ų64128.7 Ų128.766%0.6678%0.777SS**  cis151133.3-5.400000112.4
387K36.6Very low35.1Very low179 Ų179133 Ų13378%0.77879%0.786SS**  trans67.5149.7171.4-62.4-171.9145.9-66.20117.2
388D35.2Very low36Very low107 Ų107131 Ų13157%0.57277%0.77SS**  cis-158.8154.1-12.7-98.7-17.7000109.4
389H37.8Very low36Very low155 Ų155131.5 Ų131.572%0.71877%0.772SS**  trans35.7112.2159.1-69.9-84.3000120.5
390E34.1Very low36Very low168 Ų168128.3 Ų128.379%0.78577%0.765SS**  117172.462.1-123.4-170.1117.800109.9
391A30.7Very low36Very low68 Ų68128.9 Ų128.956%0.56277%0.769SS**  cis-157.8168.2-1.200000112.7
392S39Very low36Very low118 Ų118128.7 Ų128.783%0.82577%0.773SS**  trans73.8154.3150.8-79.10000122.3
393P57.5Low35.7Very low125 Ų125129.5 Ų129.581%0.81277%0.772SS**  trans-139.8178.8-136.144.1-26.6000118.6
394A31Very low35.6Very low103 Ų103126.8 Ų126.885%0.85176%0.759SS**  trans-149161.6163.300000114.5
395K36Very low35.5Very low214 Ų214129.9 Ų129.993%0.9376%0.762SS**  trans-82.3166.8-170.4-54.6160.1-176.3173.60113
396G28.5Very low35.2Very low68 Ų68125.1 Ų125.170%0.70176%0.755SS**  cis148.7160.6-8.300000114.9
397H33.9Very low35Very low193 Ų193134.4 Ų134.489%0.89477%0.77SS**  trans76.6155.5163.4-92.3-112.9000120.7
398P52.5Low35Very low83 Ų83136.8 Ų136.854%0.53977%0.774SS.*  -149.9-164.3-129.246.9-25.4000117.1
399F33.8Very low34.9Very low201 Ų201137.3 Ų137.388%0.88278%0.781SS**  trans50.7155.4153.9-61.3-55.3000119.6
400S29.7Very low34.5Very low108 Ų108137 Ų13776%0.75578%0.78SS**  cis-161-176.330.7-159.30000113.8
401S29.4Very low34.4Very low103 Ų103136.3 Ų136.372%0.7278%0.775SS**  trans-56.9-175169.8-31.10000114.3
402S33Very low34.6Very low113 Ų113137.3 Ų137.379%0.7978%0.777SS**  cis-177.3170.36.4270000108
403D30.6Very low34.2Very low151 Ų151140.6 Ų140.681%0.80778%0.78SS**  cis-177.9178.6-26.4-178.638.2000109
404S34.5Very low33.1Very low88 Ų88138.7 Ų138.762%0.61577%0.774SS**  trans88.2121.3154.477.60000122
405T31.8Very low33.1Very low142 Ų142140.3 Ų140.387%0.87177%0.769SS**  trans42.2126.2141.359.40000123.9
406G29.8Very low33Very low76 Ų76133.6 Ų133.678%0.78475%0.749SS**  134.1143.6103.800000122.5
407R30.1Very low33.2Very low259 Ų259140 Ų14098%0.97775%0.752SS**  trans90.3155.3152.2-118.2174.7-174.2-169.21.2121.5
408R35.1Very low33.1Very low230 Ų230138.3 Ų138.387%0.86874%0.744SS**  trans-93.9171.6-171.7-65.3170.2153.4-168.1-4.4113
409T33.2Very low32.4Very low117 Ų117139.7 Ų139.772%0.71876%0.756SS**  165.6137.5103.3-65.80000114.8
410E30.2Very low33.3Very low150 Ų150135.7 Ų135.770%0.70175%0.75SS**  trans61.7166.5163.1-79.3-170.2157.900119.5
411K31.6Very low33.4Very low153 Ų153137.8 Ų137.867%0.66575%0.751SS**  cis-150.5171.7-0.8-135.4176.2-175.981.50111.9
412S34.8Very low33.6Very low88 Ų88138.2 Ų138.262%0.61575%0.75SS**  trans-0.9157.4154.857.10000121.8
413Q31.9Very low33.4Very low187 Ų187138.5 Ų138.587%0.87475%0.746SS**  cis-158.9-167.321.8-146.6161.7-52.900113.7
414A33.7Very low33.5Very low85 Ų85138.2 Ų138.270%0.70274%0.743SS**  trans-68.4-177.6-176.600000115.1
415D30.3Very low33.3Very low137 Ų137139.6 Ų139.673%0.73375%0.753SS**  cis-161.1170.419.9-159.1-5.7000113.1
416S34.5Very low33.3Very low73 Ų73137.9 Ų137.951%0.5175%0.747SS.*  trans36.7137.2138.8-78.80000121.4
417R33.5Very low33.3Very low204 Ų204141.4 Ų141.477%0.7775%0.753SS**  cis-178161.632-113.2154.2-163.5-128.810.3113.7
418Q32.1Very low33.4Very low157 Ų157134.7 Ų134.773%0.73474%0.741SS**  trans60.2112.5144.3-70.5165.9-10500122.8
419S37.5Very low33.2Very low111 Ų111135.1 Ų135.178%0.77674%0.743SS**  trans-80169.8141.8-33.80000110.5
420P51.5Low32.9Very low118 Ų118134.7 Ų134.777%0.76674%0.744SS**  -139.8-161.168.335.5-12.3000112.3
421I31.7Very low33.1Very low152 Ų152130.8 Ų130.878%0.77974%0.744SS**  cis-158.8-171.424.5-151.3159.3000113.5
422T34.5Very low33.1Very low112 Ų112131.7 Ų131.769%0.68775%0.751SS**  trans-69.2175.3-176.744.10000114.6
423V29.3Very low32.9Very low118 Ų118135.1 Ų135.172%0.71576%0.758SS**  -168.9128.658.7172.30000114.4
424I31.9Very low33Very low145 Ų145132.8 Ų132.874%0.74475%0.75SS**  31131.2129.3-44.9171.2000123.5
425S30.4Very low32.7Very low118 Ų118136.7 Ų136.783%0.82575%0.751SS**  trans81.8156.8145.5-78.80000125.5
426S32.3Very low32.7Very low105 Ų105134.9 Ų134.973%0.73475%0.75SS**  trans-98.5156.2-177.855.60000115.4
427T30.2Very low33.4Very low150 Ų150136.4 Ų136.492%0.9276%0.758SS**  trans-159.3-177.1147.38.60000113.1
428T31.9Very low33Very low119 Ų119131.1 Ų131.173%0.7375%0.752SS**  trans-123.1168.6-163.955.80000114.4
429R31.2Very low33Very low239 Ų239131 Ų13190%0.90276%0.756SS**  trans73.7162.5173-49.8172.973.8-178.51.2113.8
430S26.8Very low32.6Very low107 Ų107131.2 Ų131.275%0.74875%0.748SS**  cis-145.7177.97.442.60000112.6
431G32.8Very low31.6Very low68 Ų68133.3 Ų133.370%0.70175%0.747SS**  trans139.199.3-172.600000109.5
432E32.6Very low31.5Very low173 Ų173130 Ų13081%0.80874%0.738SS**  cis64.8120.733.5-80.1163175.900111.3
433E30.7Very low31.3Very low160 Ų160133.7 Ų133.775%0.74874%0.744SS**  cis-147.7166.417.9-100.6-174.8116.600114.6
434L34Very low31.3Very low137 Ų137133.8 Ų133.872%0.71775%0.745SS**  trans31.7155.2138.1-56.8179.7000123.1
435K27.2Very low31.1Very low167 Ų167134 Ų13473%0.72675%0.748SS**  cis-177.5108.2-16.4166.5172.6164.8-172.80112
436S29.7Very low31Very low100 Ų100137.4 Ų137.470%0.69975%0.751SS**  trans61.3-170.8149.8760000117.9
437P49.8Very low30.7Very low105 Ų105137.3 Ų137.368%0.68275%0.749SS**  -134.4-173-61.833.7-14.2000114.9
438S25.1Very low30.5Very low92 Ų92141.3 Ų141.364%0.64375%0.748SS**  trans100.6142.3134.5810000121
439L33Very low30.2Very low156 Ų156140 Ų14082%0.81774%0.743SS**  trans62.8149.2154.6-62157.9000118.9
440D28.3Very low30Very low115 Ų115136 Ų13662%0.61574%0.738SS**  cis-170.1169.3-30.1-161.77000108.8
441Q30.2Very low29.9Very low161 Ų161136.8 Ų136.875%0.75274%0.744SS**  trans64.6158.2157.1-75.6162.16200118.2
442S29.4Very low29.7Very low83 Ų83142.4 Ų142.458%0.5875%0.749SS**  cis-166.6169.4-19.456.90000111.1
443K31.1Very low29.5Very low189 Ų189141.4 Ų141.482%0.82275%0.749SS**  trans70.1159.1161-61.6173.1-176.11760117.9
444T29.2Very low29.2Very low120 Ų120138.6 Ų138.674%0.73675%0.747SS**  cis-167.1154.5-30.4-80.60000106.3
445D28.2Very low29Very low150 Ų150141.2 Ų141.280%0.80275%0.753SS**  trans-55.3150.1172-54.4-101.8000114.6
446E26.3Very low29.2Very low189 Ų189141.4 Ų141.488%0.88376%0.758SS**  -165.1-174.5107.9-133-166.285.500111.7
447C26.7Very low30Very low104 Ų104141.1 Ų141.170%0.70375%0.754SS**  trans-148.6129.9-165.7174.10000112.2
448R26.5Very low29.1Very low234 Ų234143.7 Ų143.788%0.88376%0.761SS**  trans-170.4131.2145.8-109.8160-174.51793.6117.7
449S25.9Very low29.6Very low91 Ų91145 Ų14564%0.63677%0.766SS**  trans-35.7169.4153.461.60000121.3
450I26.5Very low29.3Very low154 Ų154144.5 Ų144.579%0.7977%0.769SS**  trans104.6112.8151.2-64.3159.8000118.1
451S25.2Very low29.4Very low125 Ų125147.9 Ų147.987%0.87478%0.781SS**  -145.7160.8128.856.90000108.5
452K28.7Very low29.4Very low185 Ų185146 Ų14680%0.80478%0.781SS**  trans-158.9134-157.3170.2-164.8171.1-169.50112.9
453D27Very low29.2Very low153 Ų153148.4 Ų148.482%0.81879%0.787SS**  trans-179.2158.9156-93.5-34000108.5
454S25.7Very low29.3Very low100 Ų100144.6 Ų144.670%0.69978%0.784SS**  cis-158.7179.7-28-161.90000108.3
455F29.8Very low29.3Very low193 Ų193142.9 Ų142.985%0.84678%0.782SS**  trans-95.4-172.6-174.4-47.8-84.5000113.2
456M31.2Very low29.3Very low170 Ų170143.8 Ų143.884%0.83778%0.782SS**  cis-167.6-171.815.7-131.2-165.7176.800107.2
457P46.2Very low29.5Very low95 Ų95143.7 Ų143.762%0.61778%0.783SS**  cis-138.7171.9-29.741.4-24.9000116.5
458L31.4Very low29.5Very low158 Ų158142.3 Ų142.383%0.82779%0.787SS**  trans65.9157.9137.4-82.2165.9000125.5
459T35.8Very low29.7Very low120 Ų120139.6 Ų139.674%0.73678%0.783SS**  trans-115.1172.9-177.149.30000111.7
460V27.3Very low29.8Very low146 Ų146143 Ų14389%0.88580%0.795SS**  trans-128.9131.6154.6177.50000109.6
461Q28.5Very low30Very low185 Ų185141.6 Ų141.686%0.86478%0.784SS**  trans-134.9142.1169.2177.2-177.222.900106.4
462T31.4Very low30.3Very low123 Ų123143 Ų14376%0.75578%0.781SS**  trans-97.8114.3-176.7-23.20000111.8
463D25Very low30.4Very low132 Ų132137.7 Ų137.771%0.70676%0.759SS**  trans33.9133.6156.9-68-54.3000123.1
464S32.2Very low30.3Very low109 Ų109135.6 Ų135.676%0.76275%0.748SS**  cis78.714448.2-51.80000113
465A30Very low30.6Very low85 Ų85136.4 Ų136.470%0.70274%0.739SS**  cis-144.6177.8-2.800000108.2
466H28.7Very low30.4Very low169 Ų169129 Ų12978%0.78272%0.718SS**  cis-171.5133.940.349.1-69.7000108.5
467M29.5Very low30.4Very low187 Ų187127.6 Ų127.692%0.92171%0.707SS**  56.1118.294.9-92.5-65.217500117.7
468G27.6Very low31.1Very low75 Ų75125.8 Ų125.877%0.77370%0.695SS**  trans-177.9138.2170.700000111.2
469H31.5Very low31.5Very low176 Ų176123.6 Ų123.682%0.81569%0.69SS**  trans-144.4127.4-168.1-162.597.9000110.3
470N26.4Very low31.4Very low163 Ų163120.5 Ų120.587%0.87268%0.683SS**  trans168.1166.8147.8-89.8-20.9000113.7
471H32.2Very low31.9Very low124 Ų124121.6 Ų121.657%0.57468%0.682SS**  trans-121.7134.8-174.9-175.6-38.8000109.4
472L30.4Very low32.2Very low154 Ų154118.1 Ų118.181%0.80667%0.674SS**  trans-162.9151.6168.6-112176.4000111.8L66L66-L472 WeakPolarHBondContact CD2-O 3.24Å
473H30.9Very low32.2Very low75 Ų75116.3 Ų116.335%0.34768%0.68SS.*  trans-95.3169.3-178.5-89.1-124.8000113.8L66 M67 G68L66-H473 HydrophobicContact CB-CB 4.37Å; L66-H473 PolarHBondContact O-CE1 3.2Å; M67-H473 PolarHBondContact O-NE2 3.41Å; G68-H473 WeakPolarHBondContact CA-NE2 3.37Å; G68-H473 PolarHBondContact N-CE1 3.28Å; G68-H473 PolarHBondContact N-NE2 3.48Å; G68-H473 PolarHBondContact O-NE2 3.26Å
474N25.6Very low32.7Very low109 Ų109118.1 Ų118.158%0.58368%0.684SS**  112.193.8127.4-154.392.9000120.1
475F31.7Very low32.9Very low117 Ų117121 Ų12151%0.51369%0.686SS.*  trans42.8143.8143.5-52.5-62.6000123.6Q65 F477Q65-F475 WeakPolarHBondContact O-CD1 3.36Å; Q65-F475 WeakPolarHBondContact O-CE1 3.42Å; F475-F477 HydrophobicContact CB-CE2 4.36Å; F475-F477 HydrophobicContact CD1-CE2 4.31Å
476G24.9Very low33.1Very low38 Ų38125.2 Ų125.239%0.39269%0.689SS.*  trans-170108.916600000117.1M63M63-G476 WeakPolarHBondContact CB-O 3.44Å
477F31Very low33.2Very low139 Ų139125.2 Ų125.261%0.6169%0.687SS**  trans-91.7145-161.3-74.2-144.3000115.6P61 I62 M63 F475P61-F477 HydrophobicContact CB-CB 4.04Å; P61-F477 HydrophobicContact CB-CD1 4.26Å; P61-F477 HydrophobicContact CG-CB 4.21Å; P61-F477 HydrophobicContact CG-CD1 4.35Å; I62-F477 WeakPolarHBondContact O-CD2 3.35Å; I62-F477 VanDerWaalsContact O-CG 3.29Å; I62-F477 WeakPolarHBondContact O-CG 3.14Å; M63-F477 WeakPolarHBondContact O-CE2 3.45Å; F475-F477 HydrophobicContact CB-CE2 4.36Å; F475-F477 HydrophobicContact CD1-CE2 4.31Å
478P61.8Low33.2Very low58 Ų58121.8 Ų121.838%0.37767%0.672SS.*  trans-90.5-157.2-179.939.4-46.4000116.7P61 I62P61-P478 HydrophobicContact CB-CG 3.6Å; P61-P478 WeakPolarHBondContact CB-O 3.49Å; P61-P478 WeakPolarHBondContact CG-O 3.31Å; I62-P478 HydrophobicContact CB-CG 4.1Å; I62-P478 HydrophobicContact CG1-CG 4.26Å; I62-P478 HydrophobicContact CG2-CG 3.5Å; I62-P478 VanDerWaalsContact CG2-CG 3.5Å; I62-P478 VanDerWaalsContact N-CD 3.33Å
479P40.3Very low33.2Very low111 Ų111126.1 Ų126.172%0.72167%0.672SS**  -146.6165109.838.5-23.4000116.7
480G31.9Very low33.1Very low56 Ų56125.9 Ų125.958%0.57768%0.676SS**  trans-160123.5173.200000115.4K60K60-G480 VanDerWaalsContact CE-O 3.25Å; K60-G480 WeakPolarHBondContact CE-O 3.39Å; K60-G480 PolarHBondContact NZ-O 3.17Å
481L39.3Very low33.2Very low168 Ų168121.8 Ų121.888%0.8867%0.671SS**  trans-30.9120.7179.5-52172.1000115.5
482T34.4Very low33Very low113 Ų113121.6 Ų121.669%0.69368%0.684SS**  36.6114.656.151.70000117.4K60K60-T482 VanDerWaalsContact NZ-CG2 3.33Å; K60-T482 PolarHBondContact NZ-OG1 2.9Å
483G31.3Very low32.8Very low85 Ų85118.5 Ų118.588%0.87668%0.681SS**  trans165.5110.2163.100000113.3
484Q35.1Very low32.8Very low170 Ų170123.9 Ų123.979%0.79471%0.706SS**  trans-107.5154.9-179.2-120.1-164.513.200112.4
485Q37.2Very low33.6Very low169 Ų169124 Ų12479%0.7971%0.713SS**  trans36.4115.1141.1-66.2-77-3400120.2
486F32.9Very low33.5Very low174 Ų174127.4 Ų127.476%0.76373%0.728SS**  trans-158.2142.9164.3-86.4-81000107.4
487F32.4Very low33.6Very low169 Ų169132.8 Ų132.874%0.74175%0.747SS**  cis-123155.3-5.5-81.7-104.2000107.8
488N28.4Very low33.7Very low115 Ų115133.5 Ų133.562%0.61576%0.756SS**  cis79.810033-17235.6000115.7
489H27.1Very low32.2Very low166 Ų166137.1 Ų137.177%0.76977%0.767SS**  -173.9163.1117.9-111.4-83.5000115.3
490L30.9Very low32.4Very low171 Ų171137.5 Ų137.590%0.89577%0.77SS**  trans-91.4153.2-175.3-14976.8000112.7
491G27.1Very low32.1Very low76 Ų76138.3 Ų138.378%0.78478%0.779SS**  trans-173.261.1-178.400000120.5
492S28Very low32Very low121 Ų121138.8 Ų138.885%0.84678%0.776SS**  trans33.8142.4148.3-1480000124.8
493A27Very low32Very low89 Ų89142.8 Ų142.874%0.73679%0.785SS**  trans73.6131.614700000122
494H29.8Very low31.9Very low187 Ų187145.2 Ų145.287%0.86678%0.777SS**  trans-70.7153150.5-69.3-82.8000109.9
495P42.8Very low31.8Very low113 Ų113146 Ų14673%0.73478%0.783SS**  -140.4155.110338.2-27.2000116
496F29.1Very low31.2Very low188 Ų188141.5 Ų141.583%0.82578%0.782SS**  trans0.3147.4148.3-75.6-83.4000122.9
497L29Very low31.1Very low151 Ų151137.2 Ų137.279%0.79179%0.787SS**  trans97.4147.1135.6-83.9163.4000121.8
498L31.9Very low31.2Very low154 Ų154133.1 Ų133.181%0.80678%0.784SS**  trans77.299.3163.1-67.3164.7000120.5
499H29.5Very low31.2Very low133 Ų133137.2 Ų137.262%0.61680%0.797SS**  16.6154.1125.7-98.1-119.9000122.8M30M30-H499 PolarHBondContact SD-CE1 3.33Å; M30-H499 PolarHBondContact SD-NE2 3.08Å; M30-H499 VanDerWaalsContact SD-NE2 3.45Å
500P46.3Very low31.4Very low119 Ų119133.8 Ų133.877%0.77379%0.792SS**  trans-77.1154.1179.534.8-36.7000113.1
501G25.6Very low31.5Very low74 Ų74131.6 Ų131.676%0.76378%0.781SS**  trans-161.8132.5178.100000113.7
502Q37.2Very low31.8Very low178 Ų178135.8 Ų135.883%0.83278%0.782SS**  trans-51.5155.8178.9-53.3163-7800115.1
503F32.4Very low32Very low197 Ų197134 Ų13486%0.86477%0.774SS**  -179.8107.3123.4-97.7-74.1000106.7
504N29.3Very low32.4Very low135 Ų135135 Ų13572%0.72278%0.783SS**  70.781.958.3-171.252.5000114.3
505M33.1Very low32.4Very low187 Ų187129.2 Ų129.292%0.92177%0.774SS**  trans-152136.8155-147.576.9159.900105.3
506G25.8Very low31.9Very low74 Ų74133.3 Ų133.376%0.76379%0.786SS**  cis124.775.78.100000109.8
507G31.2Very low32Very low84 Ų84127.9 Ų127.987%0.86678%0.783SS**  trans-144.7104.2179.900000110.2
508A33.2Very low33.2Very low83 Ų83126.3 Ų126.369%0.68678%0.782SS**  trans-111.8-153.3-173.100000111.6
509F29.2Very low33.2Very low201 Ų201126.1 Ų126.188%0.88278%0.781SS**  trans76123.1-170.8-46.1-68.1000113.2
510S31.4Very low33.3Very low94 Ų94127.7 Ų127.766%0.65779%0.793SS**  cis-163.8163.1-4.1-107.30000107.2
511N31.8Very low32.4Very low125 Ų125126.8 Ų126.867%0.66880%0.796SS**  cis-157.717710.9-101.9-11.4000105.9
512M34.3Very low32.5Very low164 Ų164128.1 Ų128.181%0.80880%0.799SS**  cis-170.3169.8-4.3-110.1171.3174.100105.6
513A32.4Very low32Very low83 Ų83126.4 Ų126.469%0.68680%0.8SS**  cis-160.5157.4-9.900000109.3
514A34.8Very low31.8Very low111 Ų111122 Ų12292%0.91779%0.794SS**  trans57.6138161.400000119.8
515G29.8Very low31.9Very low66 Ų66121 Ų12168%0.6880%0.798SS**  cis166.7166.4-6.700000112.4
516M33.2Very low31.8Very low199 Ų199116 Ų11698%0.9879%0.794SS**  trans53.4117.6166.5-61.6158.560.700116
517G29.7Very low32.1Very low74 Ų74116.2 Ų116.276%0.76380%0.796SS**  cis136.5152.238.600000107.2
518P54.8Low32.2Very low118 Ų118118.7 Ų118.777%0.76679%0.794SS**  trans-111168.8-157.837.7-28.7000115.1
519L31.7Very low32.2Very low150 Ų150119.6 Ų119.679%0.78580%0.795SS**  169.9143.5117.1-89.3168.3000114.9
520L31.5Very low32.2Very low166 Ų166115.3 Ų115.387%0.86979%0.786SS**  trans65.3168149.6-65.5170.2000120.7
521A28.4Very low32.5Very low100 Ų100118.5 Ų118.583%0.82679%0.793SS**  trans-125.5155.7-170.900000111.8
522A27.9Very low32.3Very low102 Ų102118.5 Ų118.584%0.84379%0.793SS**  trans-156.8169.5165.900000111.3
523V27.1Very low32.1Very low141 Ų141116.6 Ų116.686%0.85579%0.79SS**  trans-117.8162.7-178.7-72.70000111.9
524S27.8Very low32.2Very low104 Ų104116.5 Ų116.573%0.72779%0.79SS**  trans111.6137.4136.9-149.10000122.1
525S30.9Very low31.9Very low115 Ų115116.1 Ų116.180%0.80478%0.78SS**  trans69.4146.1141.265.70000125
526G30.7Very low31.9Very low82 Ų82121.5 Ų121.585%0.84579%0.789SS**  trans97138.4168.800000113.3
527G31.8Very low31.6Very low78 Ų78116.8 Ų116.880%0.80478%0.783SS**  cis134.9151.48.700000109.1
528V33.9Very low31.5Very low136 Ų136118.7 Ų118.782%0.82478%0.784SS**  cis-170.2167.63.463.70000110
529S32.8Very low31.8Very low102 Ų102118.5 Ų118.571%0.71378%0.783SS**  trans74.9156.3157.782.20000118.5
530T29.3Very low33Very low111 Ų111116.4 Ų116.468%0.68178%0.778SS**  cis-139.2138.63.645.20000112.7
531M38Very low33Very low162 Ų162116.7 Ų116.780%0.79878%0.775SS**  46.1148.6120.5-53-179.169.600120.7
532D27.2Very low33.1Very low125 Ų125116.7 Ų116.767%0.66877%0.769SS**  cis-161.6-173.62.1-132.557.9000109.1
533T30.5Very low33.3Very low124 Ų124118.7 Ų118.776%0.76177%0.765SS**  cis-151.9-164.35.7-159.20000111.6
534A33.7Very low33.4Very low81 Ų81118.5 Ų118.567%0.66976%0.764SS**  trans-137.2-172.7177.600000111.9
535S30.3Very low33.4Very low102 Ų102117.6 Ų117.671%0.71377%0.771SS**  cis-167.316011.4-1490000113.9
536M30Very low33.8Very low179 Ų179116.7 Ų116.788%0.88277%0.77SS**  trans69.1156.4149.2-75.8-69.8-178.700124.4
537A26.7Very low34.7Very low101 Ų101119.1 Ų119.184%0.83577%0.772SS**  trans87.1160.8151.200000121.4
538S26.3Very low34.6Very low114 Ų114118.9 Ų118.980%0.79777%0.769SS**  trans-142.4-143-165.246.20000113.7
539P61.9Low34.6Very low114 Ų114120.4 Ų120.474%0.7477%0.772SS**  -93.6-150.5-120.344.2-28000112.6
540P56.3Low35.3Very low106 Ų106120.4 Ų120.469%0.68877%0.769SS**  cis-139-174.8-6.942.3-23.5000116.2
541Q32.3Very low35.5Very low171 Ų171124.1 Ų124.180%0.79978%0.776SS**  177.4130.4119.5-96.6-176.626.700115.1
542S30.6Very low35Very low100 Ų100123.3 Ų123.370%0.69977%0.77SS**  trans52.9154.3140.977.80000121.6
543L30.6Very low35.3Very low145 Ų145124.2 Ų124.276%0.75977%0.774SS**  cis-143.3153.917.7-84169.6000114
544T30.1Very low35.3Very low137 Ų137124.7 Ų124.784%0.8477%0.768SS**  trans51.3127.7148.3560000123.5
545G27.8Very low35.3Very low85 Ų85127 Ų12788%0.87677%0.765SS**  trans153.7120.6157.100000114
546A38.1Very low35.5Very low95 Ų95131.5 Ų131.579%0.78577%0.774SS**  trans-136.1173.3-171.600000111.9
547P50.2Low35.6Very low134 Ų134127.7 Ų127.787%0.8776%0.761SS**  cis-130.7173.6-2235.1-18.3000114
548G30.2Very low36.2Very low73 Ų73130.8 Ų130.875%0.75376%0.763SS**  trans148.994.8159.800000117.2
549L33.3Very low36.4Very low167 Ų167129.3 Ų129.387%0.87476%0.757SS**  trans-117.9-177.8173.1-65.1176.9000108.6
550P47.6Very low35.2Very low102 Ų102129 Ų12966%0.66276%0.758SS**  cis-152.2177.412.946.7-27.2000119.9
551F33.7Very low34.3Very low189 Ų189133.2 Ų133.283%0.82977%0.768SS**  trans49.7173.9139.6-70.2-48.9000121.4
552H28.6Very low34.3Very low145 Ų145128.1 Ų128.167%0.67176%0.762SS**  cis-145.9169.1-5.1-151.6-93.7000111.1
553L31.5Very low34.7Very low144 Ų144132.1 Ų132.175%0.75477%0.774SS**  trans-130.7119.8159.6162.3138.8000108.3
554Q31.2Very low34.9Very low134 Ų134128.9 Ų128.963%0.62677%0.768SS**  trans-164.9156.7156.5-150.456.72.200114.3
555Q34.8Very low35Very low131 Ų131130.6 Ų130.661%0.61277%0.769SS**  trans-47.1161.6-179.6-53.7154.5-62.100117.5V557Q555-V557 HydrophobicContact CB-CG2 4.29Å
556H34Very low35.4Very low196 Ų196131.5 Ų131.591%0.90776%0.761SS**  -124.2151124.2-114-91.3000110.2
557V32Very low36Very low99 Ų99131.2 Ų131.260%0.675%0.752SS**  trans-126.2137.5-179.5176.60000107.8Q555Q555-V557 HydrophobicContact CB-CG2 4.29Å
558L38.4Very low35.2Very low166 Ų166134.7 Ų134.787%0.86975%0.754SS**  trans172.5163.3134.3-94.3166.2000113.6
559A31.6Very low35Very low83 Ų83133.7 Ų133.769%0.68674%0.743SS**  trans-27.5150.7173.400000117.3
560S36Very low34.8Very low107 Ų107131.5 Ų131.575%0.74874%0.742SS**  -173.5170.265.6420000115.8
561Q37.1Very low34.1Very low195 Ų195134.5 Ų134.591%0.91175%0.751SS**  trans-9.2144.1153.5-48.2171.742.100116.4
562G33.9Very low34.5Very low64 Ų64134.8 Ų134.866%0.6675%0.753SS**  cis150.31776.400000110.3
563L38.8Very low35.2Very low184 Ų184133.8 Ų133.896%0.96376%0.759SS**  trans66.6159.4176.1-52.4176.6000115.8
564A33.3Very low35.3Very low77 Ų77137.3 Ų137.364%0.63676%0.764SS**  cis-164.8146-32.700000111.1
565M33.9Very low36.2Very low173 Ų173135.8 Ų135.885%0.85277%0.766SS**  trans62.7134.4145.5-67-60.1-69.800122.9
566S35.5Very low35.9Very low103 Ų103139.6 Ų139.672%0.7278%0.776SS**  trans-81.5-165.4153-142.50000109
567P51.4Low35.8Very low89 Ų89135 Ų13558%0.57876%0.762SS**  cis-140.9-163.51.425.92.9000114.9
568F31.8Very low35.7Very low208 Ų208140.1 Ų140.191%0.91277%0.772SS**  trans66.3157.2171.9-69.3-93.2000116.6
569G27.2Very low35.8Very low52 Ų52140.4 Ų140.454%0.53677%0.771SS.*  cis146.6153.8-6.600000112.5
570S28Very low35.8Very low120 Ų120140.4 Ų140.484%0.83977%0.771SS**  trans66.6166.9179.985.40000115.1
571L33.4Very low35.5Very low166 Ų166140.2 Ų140.287%0.86978%0.775SS**  cis-160.8159.5-26.5-111.2169.9000107.5
572F42Very low35.1Very low194 Ų194135.3 Ų135.385%0.85177%0.769SS**  trans-85.2146.3169.5-79.1-75.3000110.8
573P43.9Very low35Very low125 Ų125137.2 Ų137.281%0.81278%0.778SS**  -151.2-179.888.639.1-19.2000117.7
574Y33.3Very low34.6Very low217 Ų217133.1 Ų133.185%0.85177%0.771SS**  trans-67.8175.8169.4-87.1-94.7000113.1
575P50Low34.4Very low102 Ų102133.9 Ų133.966%0.66278%0.777SS**  cis-148.3-177.126.443.5-22.2000120
576Y28.3Very low34.3Very low211 Ų211130.7 Ų130.783%0.82777%0.772SS**  trans72.9157.9147.7-89.1-150.4000120.7
577T32.5Very low33.9Very low99 Ų99131.2 Ų131.261%0.60778%0.776SS**  cis-166.9151.6-27.5220000113.5
578Y30.2Very low32.9Very low207 Ų207132 Ų13281%0.81279%0.789SS**  trans71.7148.6146.7-103.3-77.2000125.1
579M39.5Very low32.7Very low172 Ų172126.2 Ų126.285%0.84778%0.78SS**  trans71.4151.8158.9-66.2-160.2-15500120.1
580A31.7Very low32.8Very low83 Ų83128.9 Ų128.969%0.68679%0.79SS**  cis-171.6164.3-25.300000111.3
581A30.6Very low32.8Very low103 Ų103128.9 Ų128.985%0.85179%0.79SS**  trans64.7164.4153.400000119
582A28.8Very low32.5Very low93 Ų93125.4 Ų125.477%0.76978%0.78SS**  cis-169.1-172.2-31.400000109.4
583A30.7Very low31.8Very low103 Ų103122.2 Ų122.285%0.85178%0.776SS**  trans73.3148.6166.900000118
584A31.1Very low31.1Very low99 Ų99122.5 Ų122.582%0.81877%0.766SS**  cis-159.6-176.8-16.700000111.9
585A29.7Very low30.9Very low93 Ų93122 Ų12277%0.76976%0.763SS**  trans-56.9171.4179.500000114.6
586S30.6Very low30Very low106 Ų106125.9 Ų125.974%0.74177%0.772SS**  cis-160.2144.635.850.10000111.2
587S28.2Very low30.7Very low114 Ų114121.7 Ų121.780%0.79777%0.77SS**  89141.170.4-50.40000115.6
588A29Very low30.7Very low105 Ų105126.4 Ų126.487%0.86878%0.783SS**  trans86.9146.7174.900000118.3
589A29.2Very low31Very low86 Ų86124.5 Ų124.571%0.71179%0.786SS**  cis-165.9157.3-24.900000112.8
590S27.7Very low30.5Very low108 Ų108123.4 Ų123.476%0.75578%0.783SS**  trans72.7132.1149.1-62.60000123.3
591S28.6Very low30.5Very low120 Ų120123.8 Ų123.884%0.83979%0.786SS**  trans76.9151.9147.6860000117.9
592S26.8Very low30.6Very low94 Ų94125.1 Ų125.166%0.65778%0.784SS**  cis-170.7122.6-11144.90000112
593V28.4Very low31.1Very low126 Ų126131.9 Ų131.976%0.76479%0.789SS**  trans53.4167.9169.8-86.90000117.3
594H27.5Very low31.5Very low132 Ų132133.1 Ų133.161%0.61179%0.789SS**  cis-158.5162.620.8-139.121.3000113.3
595R30.7Very low31.7Very low207 Ų207139.4 Ų139.478%0.78179%0.791SS**  trans32.8135.3143.3-73.5178.3165.7140.7-14.8123.1
596H29.6Very low31.9Very low183 Ų183142.1 Ų142.185%0.84779%0.792SS**  trans-55.6168.5148.7-57.9-65.8000112.5
597P44.6Very low32.1Very low122 Ų122147.2 Ų147.279%0.79280%0.795SS**  cis-145.6-169.224.244.1-23.3000117.1
598F31.2Very low32Very low199 Ų199151.7 Ų151.787%0.87380%0.796SS**  trans-72.9149.9160.2-70.4-99.9000111.8
599L37.2Very low32.4Very low166 Ų166150.7 Ų150.787%0.86978%0.783SS**  -171.4178.9125.1-105.2172.7000112.9
600N29.3Very low33.1Very low150 Ų150152 Ų15280%0.80278%0.784SS**  trans-91.3167.5-167.1-67.4-60.9000115.5
601A32.1Very low33.2Very low90 Ų90156.6 Ų156.674%0.74479%0.786SS**  trans111.5119.7136.600000120.8
602V32.4Very low33.4Very low132 Ų132156.9 Ų156.980%0.879%0.788SS**  trans55.2105.4134-1720000120.8
603R38Very low34Very low234 Ų234159.7 Ų159.788%0.88380%0.795SS**  trans34.8137.7131.3-67.8-175.7178.1-168.8-0119.9
604P40.2Very low34.6Very low129 Ų129159.7 Ų159.784%0.83880%0.797SS**  -145.2-171.55740.3-20.7000117.4
605R35.7Very low35.1Very low231 Ų231161.5 Ų161.587%0.87281%0.808SS**  trans-64148.6178.3-74.7172.7159.8169-7.5113.1
606L33.4Very low35Very low151 Ų151158.4 Ų158.479%0.79181%0.813SS**  -170.3167.9104.7-100.4168.9000114.3
607R33.3Very low35.1Very low212 Ų212155.8 Ų155.880%0.881%0.809SS**  trans-47.7153.7-179.2-51.4160.6-177.6165.2-2.3112.5
608Y28.1Very low35.5Very low208 Ų208154.7 Ų154.782%0.81680%0.802SS**  -176158.463-152-94.1000110.1
609S37.5Very low35.4Very low85 Ų85152 Ų15259%0.59480%0.796SS**  trans-129.1144.7167.1169.30000109
610P41.9Very low35.1Very low112 Ų112148.9 Ų148.973%0.72779%0.789SS**  trans-134.4148.713523.4-4.8000113.4
611Y31.5Very low35.3Very low206 Ų206147.8 Ų147.881%0.80879%0.788SS**  trans-78.3157.4165.3-75.9-106.1000111.1
612S31.3Very low35.4Very low126 Ų126150.1 Ų150.188%0.88179%0.787SS**  trans-144.2116.3145.2-82.10000111.3
613L39.3Very low35.4Very low153 Ų153150.9 Ų150.980%0.80179%0.786SS**  trans-80.1169.9156-76.7172.7000108
614P41.4Very low35Very low125 Ų125145 Ų14581%0.81278%0.776SS**  cis-151.2-170.545.242.9-19.7000118.5
615M37.8Very low34.5Very low170 Ų170144.7 Ų144.784%0.83777%0.772SS**  trans-77.4152.2179.5-59.7-98.8-123.400114
616T28.2Very low34.3Very low143 Ų143137.9 Ų137.988%0.87777%0.765SS**  trans-147155148.646.40000111.6
617V33.3Very low34.3Very low127 Ų127137.2 Ų137.277%0.7777%0.767SS**  trans-162.2155.7-168.4178.40000106.2
618P53Low35.5Very low100 Ų100132.5 Ų132.565%0.64976%0.764SS**  cis-129.4-159.1-1030-5.1000114.5
619D28.3Very low36.8Very low141 Ų141128.6 Ų128.675%0.75476%0.764SS**  trans73.2128.9146.1-65.5-21.9000123.8
620S31.5Very low36.5Very low101 Ų101132.6 Ų132.671%0.70678%0.775SS**  167.7127106.6-72.80000116.5
621T33.3Very low37.2Very low127 Ų127131.7 Ų131.778%0.77977%0.769SS**  trans60.1156141.2600000121.9
622L34.7Very low37.1Very low140 Ų140128 Ų12873%0.73377%0.768SS**  cis-161.4164.6-10.4-103.7163.9000106.7
623L31.6Very low37Very low148 Ų148128.2 Ų128.278%0.77576%0.764SS**  cis-156.7144.446.8-67.1160.9000109.6
624T30.6Very low36.7Very low111 Ų111125.8 Ų125.868%0.68177%0.766SS**  54.2137.879.813.30000116.5
625T29.2Very low36.1Very low122 Ų122123.8 Ų123.875%0.74877%0.768SS**  cis-163.9152.95.9-26.70000107.8
626A31.8Very low35.6Very low87 Ų87119.9 Ų119.972%0.71977%0.771SS**  cis98.1126.11300000117.2
627V33.7Very low35.7Very low137 Ų137116.9 Ų116.983%0.8377%0.768SS**  cis-143.6-67.5-10.8-158.30000118.5
628P58.5Low35.5Very low114 Ų114115 Ų11574%0.7478%0.775SS**  trans-132-166.3-143.445.4-28.3000116
629P54Low34.5Very low125 Ų125113.9 Ų113.981%0.81278%0.782SS**  cis-135.3-170.4-442.8-22.8000117.7
630M30.6Very low35.9Very low170 Ų170112.9 Ų112.984%0.83778%0.783SS**  trans-58.4179171.4-77.5-98.3-78.500117.9
631P56.6Low36Very low92 Ų92116 Ų11660%0.59779%0.786SS**  cis-143.5-171.6-18.128.9-3.6000117.7
632T29.6Very low36.2Very low129 Ų129116 Ų11679%0.79178%0.781SS**  trans98.1151.4148.464.60000124.3
633V30.3Very low36.1Very low131 Ų131118.5 Ų118.579%0.79479%0.786SS**  trans94.693.9159.3-166.80000120.9
634A32Very low36.3Very low102 Ų102114.7 Ų114.784%0.84378%0.776SS**  50.3153.4127.500000125.3
635G29.2Very low36.4Very low82 Ų82117.4 Ų117.485%0.84579%0.786SS**  trans100.2130.1175.600000112.8
636G28.7Very low36.5Very low88 Ų88114.8 Ų114.891%0.90778%0.783SS**  cis99.31206.800000112.1
637G28.7Very low36.6Very low80 Ų80118.6 Ų118.683%0.82579%0.79SS**  cis169.8-175-4.800000111.8
638G29.5Very low36.7Very low88 Ų88118.3 Ų118.391%0.90779%0.789SS**  trans88.8157.1163.200000118.7
639G32.3Very low36.5Very low77 Ų77118.6 Ų118.679%0.79479%0.791SS**  trans116.3118.3164.600000116.6
640P58.7Low35.3Very low120 Ų120117.3 Ų117.378%0.77979%0.791SS**  trans-126.2-159.5-178.735.6-15.5000114.5
641E32.9Very low35.5Very low165 Ų165114.9 Ų114.977%0.77179%0.79SS**  trans81.6154.2166.8-53.4-159.797.300118.5
642L36.8Very low35.1Very low129 Ų129116.6 Ų116.668%0.67580%0.801SS**  cis-167.6162.2-28.4-106.3-171.3000110.2
643K32.7Very low35.3Very low191 Ų191114.3 Ų114.383%0.8380%0.796SS**  trans63.3172.1156.1-76-177.5173.6-176.50118.8
644A36Very low35.5Very low68 Ų68114.4 Ų114.456%0.56280%0.796SS**  cis-173.4165.9-40.100000110.6
645D32.1Very low35.3Very low169 Ų169114.9 Ų114.990%0.90479%0.789SS**  trans63.6158163.3-48.7-42.3000118.5
646G32.1Very low35.5Very low66 Ų66118.2 Ų118.268%0.6879%0.787SS**  cis170.9153.7-12.200000114.3
647L34Very low35.4Very low167 Ų167120.4 Ų120.487%0.87478%0.778SS**  trans63.5122.1161.7-58.6162.1000119.5
648V35.3Very low35.5Very low131 Ų131120.3 Ų120.379%0.79476%0.764SS**  59.6137.462178.40000113.6
649P53.9Low35.5Very low120 Ų120122.4 Ų122.478%0.77976%0.76SS**  cis-134.4-175.37.538.6-19.1000117
650A30Very low35.5Very low98 Ų98123.1 Ų123.181%0.8175%0.753SS**  157.1153.512300000116.1
651S34.5Very low34.2Very low119 Ų119126 Ų12683%0.83276%0.755SS**  trans-125.4164.1169.4-440000109.2
652P48.6Very low34.1Very low128 Ų128123.3 Ų123.383%0.83175%0.75SS**  -151.2-143.57138.9-15.6000113.1
653A34.1Very low33.7Very low81 Ų81123.3 Ų123.367%0.66976%0.756SS**  -160.7172.5-85.500000111.6
654V32.6Very low33.6Very low134 Ų134118.6 Ų118.681%0.81275%0.747SS**  trans61.4163.6171.7-114.60000116.1
655T28.6Very low33.3Very low112 Ų112123.8 Ų123.869%0.68776%0.759SS**  cis-146.6149.310.513.70000109.8
656L34.1Very low33.3Very low152 Ų152121 Ų12180%0.79675%0.752SS**  48.7140.492.6-59.8178.5000116.4
657D26.3Very low33.2Very low134 Ų134123.1 Ų123.172%0.71776%0.757SS**  cis-169.8166-11.2-176.338.2000112.5
658S31.2Very low33Very low78 Ų78118.7 Ų118.755%0.54575%0.751SS.*  trans57.1144.2149.8-79.90000126.5
659T28.8Very low33Very low132 Ų132120.5 Ų120.581%0.8176%0.755SS**  trans65.5155.4147.351.50000121.4
660S31.7Very low32.2Very low92 Ų92120.5 Ų120.564%0.64376%0.755SS**  cis-175144.9-30.7530000111.4
661E31Very low32.2Very low179 Ų179121.3 Ų121.384%0.83676%0.755SS**  trans63150.4157.2-85.5-168.9120.400119.6
662V31.5Very low32Very low109 Ų109120.6 Ų120.666%0.66176%0.756SS**  cis-142.3-177.3-4.8-142.80000109.4
663T28.7Very low31.2Very low130 Ų130119.9 Ų119.980%0.79875%0.754SS**  trans68.1166162.538.60000117.8
664S30.8Very low31.5Very low91 Ų91122.2 Ų122.264%0.63676%0.762SS**  cis-142.1145.21.4-128.30000112
665H30.5Very low31.4Very low178 Ų178125.8 Ų125.882%0.82477%0.767SS**  trans12.3120.2167.7-48.8-76.9000121.5
666S30.6Very low31.6Very low109 Ų109125.4 Ų125.476%0.76278%0.775SS**  173.6139.7100-164.20000115.1
667S30.7Very low31.6Very low112 Ų112124.5 Ų124.578%0.78378%0.78SS**  trans25.5121.3149.863.20000122.3
668G29.8Very low32.1Very low73 Ų73123 Ų12375%0.75379%0.786SS**  trans158.5115.2151.500000115.8
669I34.4Very low32.6Very low169 Ų169128.3 Ų128.387%0.86780%0.802SS**  trans-105121.2171.7-59.6173000109.6
670P37.4Very low33.4Very low121 Ų121131 Ų13179%0.78680%0.803SS**  trans-97.4130.8162.834-27.7000111.1
671S29.6Very low34.1Very low114 Ų114133.5 Ų133.580%0.79781%0.809SS**  trans-107.6138.2166.455.30000110.5
672A30.7Very low34.8Very low105 Ų105128.3 Ų128.387%0.86880%0.797SS**  trans-96.1145.4-175.600000112.3
673S31.5Very low35.7Very low113 Ų113126.5 Ų126.579%0.7979%0.793SS**  trans-129.9134.1174.5-690000111.1
674P41.5Very low36.8Very low129 Ų129126 Ų12684%0.83879%0.786SS**  trans-80.2167.3171.533.2-33.8000112.5
675K30.8Very low37.9Very low210 Ų210128.6 Ų128.691%0.91379%0.788SS**  trans-80.9151.6-167.5-60.7168.7-178.7173.20113.7
676A32.7Very low39Very low103 Ų103125.9 Ų125.985%0.85178%0.779SS**  trans-114.1151.4159.300000110.1
677C33.1Very low39.9Very low133 Ų133125.6 Ų125.690%0.89977%0.765SS**  trans-160.6109.2179.3-174.70000110.9
678A36.8Very low41.1Very low102 Ų102123.6 Ų123.684%0.84375%0.751SS**  trans179.687.8162.100000111.2
679E41.3Very low42.3Very low191 Ų191124.7 Ų124.789%0.89374%0.739SS**  trans-146.978.3170.7-166.4171.1-16100110.9
680K46Very low42.9Very low187 Ų187123.8 Ų123.881%0.81373%0.731SS**SBendtrans-143.5-26.7175.2-160.1164.9-177175.50115.4
681D46.3Very low43.6Very low145 Ų145126.2 Ų126.278%0.77572%0.724SS**SBendtrans-74.7-32.2-178.7-62.9-71.8000114.2A683 N684D681-A683 PolarHBondContact O-N 3.26Å; D681-A683 VanDerWaalsContact O-N 3.13Å; D681-N684 PolarHBondContact O-N 3.49Å; D681-N684 VanDerWaalsContact O-N 3.12Å
682A46.6Very low44.7Very low70 Ų70127.3 Ų127.358%0.57972%0.721SS**Hα-helixtrans-60.2-27.9-174.300000114.4N684A682-N684 VanDerWaalsContact C-N 3.33Å; A682-N684 PolarHBondContact O-N 3.17Å
683A49.2Very low45.6Very low71 Ų71126.7 Ų126.759%0.58771%0.706SS**Hα-helixtrans-72.5-24.8-179.600000113.4D681D681-A683 PolarHBondContact O-N 3.26Å; D681-A683 VanDerWaalsContact O-N 3.13Å
684N52.8Low46.2Very low121 Ų121125.8 Ų125.865%0.64770%0.699SS**Hα-helixtrans-86.4-31.5-171.2-141.81.8000112.2D681 A682D681-N684 PolarHBondContact O-N 3.49Å; D681-N684 VanDerWaalsContact O-N 3.12Å; A682-N684 VanDerWaalsContact C-N 3.33Å; A682-N684 PolarHBondContact O-N 3.17Å
685E54.1Low46.5Very low144 Ų144122.3 Ų122.367%0.67369%0.688SS**Hα-helixtrans-67.5-40.1-179.6-166168-146.200112.1Q687 S688 I689E685-Q687 PolarHBondContact O-N 3.13Å; E685-S688 WeakPolarHBondContact O-CB 3.34Å; E685-S688 PolarHBondContact O-N 3.37Å; E685-S688 VanDerWaalsContact O-N 3.14Å; E685-I689 PolarHBondContact O-N 3.34Å
686L53.4Low47.3Very low121 Ų121119.6 Ų119.663%0.63468%0.682SS**Hα-helixtrans-61.9-39.7179.1-69.3172.7000113.2S688 I689 Q690L686-S688 PolarHBondContact O-N 3.11Å; L686-I689 PolarHBondContact O-N 3.37Å; L686-Q690 PolarHBondContact O-N 3.21Å
687Q49.5Very low47.9Very low103 Ų103123.4 Ų123.448%0.48168%0.682SS.*Hα-helixtrans-67-26177.3-67.6-164.69.400113.2E685 R691E685-Q687 PolarHBondContact O-N 3.13Å; Q687-R691 PolarHBondContact O-NH1 3.01Å
688S54.4Low48.5Very low70 Ų70121.9 Ų121.949%0.4967%0.673SS.*Hα-helixtrans-70.9-42.7176.9-162.60000111.3E685 L686 Q690E685-S688 WeakPolarHBondContact O-CB 3.34Å; E685-S688 PolarHBondContact O-N 3.37Å; E685-S688 VanDerWaalsContact O-N 3.14Å; L686-S688 PolarHBondContact O-N 3.11Å; S688-Q690 PolarHBondContact O-N 2.93Å
689I55.2Low48.8Very low97 Ų97122.7 Ų122.750%0.49767%0.673SS.*Hα-helixtrans-65-40.6179.6-61.8168.4000111.1E685 L686 R691 L692E685-I689 PolarHBondContact O-N 3.34Å; L686-I689 PolarHBondContact O-N 3.37Å; I689-R691 VanDerWaalsContact C-N 3.29Å; I689-R691 PolarHBondContact O-N 3.41Å; I689-L692 PolarHBondContact O-N 3.04Å
690Q48.3Very low48.6Very low149 Ų149122.1 Ų122.170%0.69667%0.67SS**Hα-helixtrans-67.2-25.8-174.4-147.3170.213.500113.8L686 S688 S694L686-Q690 PolarHBondContact O-N 3.21Å; S688-Q690 PolarHBondContact O-N 2.93Å; Q690-S694 PolarHBondContact O-OG 3.3Å
691R51Low47.9Very low172 Ų172119.7 Ų119.765%0.64967%0.666SS**Hα-helixtrans-80.4-15.3173.9-61.2-173.8-163.5102.34.8113.8Q687 I689Q687-R691 PolarHBondContact O-NH1 3.01Å; I689-R691 VanDerWaalsContact C-N 3.29Å; I689-R691 PolarHBondContact O-N 3.41Å
692L52.3Low47.4Very low137 Ų137124.6 Ų124.672%0.71767%0.674SS**Hα-helixtrans-87.9-24.4-180-100.5160.2000113.2I689I689-L692 PolarHBondContact O-N 3.04Å
693V50.4Low47.2Very low92 Ų92127.3 Ų127.356%0.55869%0.685SS**Hα-helixtrans-84-31.4179.3-178.90000112.1G695V693-G695 PolarHBondContact O-N 2.94Å; V693-G695 VanDerWaalsContact O-N 3.11Å
694S44.5Very low46.6Very low94 Ų94136 Ų13666%0.65770%0.703SS**THydrogen-bonded Turntrans-72.8-0.6-173.227.60000115.3Q690Q690-S694 PolarHBondContact O-OG 3.3Å
695G47.7Very low46Very low57 Ų57136.1 Ų136.159%0.58871%0.713SS**THydrogen-bonded Turntrans-99.36.4-177.600000116.5V693V693-G695 PolarHBondContact O-N 2.94Å; V693-G695 VanDerWaalsContact O-N 3.11Å
696L47.3Very low45.1Very low153 Ų153132.8 Ų132.880%0.80172%0.718SS**SBendtrans-124-2.6-168.7-73.1171.9000116.4
697E45.3Very low44.2Very low182 Ų182132.6 Ų132.685%0.8573%0.726SS**SBendtrans-106.238.4-175.8-66.6-170.99400113.8
698S46.4Very low44.4Very low101 Ų101137.4 Ų137.471%0.70677%0.766SS**  trans-132.237.8-174.1580000115.4
699S42.8Very low43.9Very low120 Ų120140.8 Ų140.884%0.83978%0.78SS**  trans-155.377.2166.7-80.20000114.1
700Q36Very low43.3Very low178 Ų178143.1 Ų143.183%0.83280%0.795SS**  trans-156.3164.3147.2-119.8-175.2-93.800113.9
701D32.2Very low43Very low137 Ų137142.7 Ų142.773%0.73380%0.801SS**  trans6784.8163.8-56.3-6.6000119
702R36.7Very low42.5Very low247 Ų247141 Ų14193%0.93281%0.81SS**PPolyproline II helixtrans-88.4133.6146.9-88.9-176.7170.4-178.5-2.7109.6
703P42.2Very low41.9Very low127 Ų127141.3 Ų141.383%0.82582%0.815SS**PPolyproline II helixtrans-78.1152.2171.931.9-34.1000112.7
704R36.9Very low41.3Very low255 Ų255144.5 Ų144.596%0.96283%0.833SS**PPolyproline II helixtrans-91.6140.2169.3-106.7178.5167.4173.5-5.3110.5
705S40Very low41.1Very low122 Ų122148.1 Ų148.185%0.85385%0.845SS**  trans-156156.2154.759.80000110.1
706G34Very low40.6Very low75 Ų75155.2 Ų155.277%0.77387%0.865SS**  trans86.2100.8167.900000116.6
707S35.5Very low40Very low116 Ų116155.3 Ų155.381%0.81187%0.87SS**  trans-147.6147.5143-680000106.6
708P52.4Low39.6Very low204 Ų204152.9 Ų152.9100%1.32587%0.872SS**  trans-71.10179.332.3-36.1000112.5

Retrieved 708 of 708 residues in 2699.3 ms (Link to these results)