A0A087YG89_POEFO Loading...

Recombination signal binding protein for immunoglobulin kappa J region like

AlphaFold DB , UniProt , Accession A0A087YG89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 562 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M38.1Very low27.8Very low236 Ų236152.3 Ų152.3100%1.16379%0.789SS**  093.90-77.1171.8162.300106.8
2Q28.3Very low27.5Very low173 Ų173149.8 Ų149.881%0.80879%0.785SS**  47.4126.187.3-87.3-177.6-24.900111.5
3K28.7Very low27.3Very low172 Ų172151.2 Ų151.275%0.74879%0.792SS**  cis-160.5140.112.6-92165.6174.5178.40104.6
4A29.8Very low27Very low83 Ų83145.4 Ų145.469%0.68679%0.788SS**  61.2112.168.200000114.9
5L28.2Very low26.9Very low153 Ų153144.5 Ų144.580%0.80180%0.795SS**  173.5117.4118.3-110.580.5000108.4
6V28.5Very low26.8Very low108 Ų108142.3 Ų142.366%0.65579%0.792SS**  86.8108.466.5165.40000111.2
7N25.4Very low27.6Very low133 Ų133139.9 Ų139.971%0.71179%0.785SS**  75.8140.8114-66.1-5.3000113.5
8D25Very low27.5Very low147 Ų147143.9 Ų143.979%0.78679%0.793SS**  -148.6140.152.4-90.6-46000111
9T26.1Very low27.4Very low96 Ų96146.5 Ų146.559%0.58980%0.796SS**  105.3104.453.7-58.70000111.6
10K24.5Very low27.5Very low189 Ų189145.9 Ų145.982%0.82279%0.792SS**  trans39.5131.8136.1-62.3178.1176.1175.70119.9
11M22.8Very low27.4Very low185 Ų185149.1 Ų149.191%0.91179%0.792SS**  -161142.790.1-104.9-151.1-79.100114.4
12V25.2Very low26.9Very low123 Ų123144.7 Ų144.775%0.74577%0.773SS**  trans-100.5150.5177.2166.10000107.7
13L24.9Very low26.8Very low167 Ų167144.5 Ų144.587%0.87478%0.776SS**  trans162.7109.8134.8-85.7162.7000107.5
14G23.2Very low26.7Very low71 Ų71142.8 Ų142.873%0.73278%0.781SS**  107.6138.190.700000107.2
15C24.8Very low26.7Very low132 Ų132146.8 Ų146.889%0.89279%0.785SS**  cis-153.4153.822-73.30000109.2
16S25.1Very low26.7Very low108 Ų108146 Ų14676%0.75578%0.78SS**  trans-85-169.3161.7570000110.1
17P41.5Very low26.6Very low102 Ų102145.6 Ų145.666%0.66278%0.783SS**  -129.4172.8-54.431.3-14.2000110.6
18F25.2Very low26.7Very low213 Ų213147.6 Ų147.693%0.93479%0.792SS**  trans-159.198.7145.3-108.2-77.1000109.7
19F26.4Very low26.6Very low193 Ų193144.4 Ų144.485%0.84679%0.794SS**  trans-98.7137.3154.2-119.3-98.7000105.1
20D27.5Very low26.6Very low134 Ų134148.2 Ų148.272%0.71781%0.81SS**  162.5153.3109.9-147.58.1000112.5
21R27Very low26.7Very low213 Ų213144.5 Ų144.580%0.80481%0.808SS**  trans79.2137.5169.2-54.5-177.4179.3-164-1.1116.3
22L26.7Very low26.8Very low144 Ų144144.4 Ų144.475%0.75481%0.805SS**  cis-160.1139.327.8-162.376.5000110.2
23L26.8Very low26.9Very low168 Ų168145.2 Ų145.288%0.8881%0.81SS**  trans-57.6140.9158.7-81.9147.1000110.9
24T27.3Very low26.9Very low137 Ų137142.1 Ų142.184%0.8480%0.803SS**  trans-125.6121.5164.3-19.10000110.2
25Q27.8Very low27Very low166 Ų166147 Ų14778%0.77681%0.809SS**  trans-88.5147.6175.6-97.1-174.5-34.100111.4
26I29Very low27Very low137 Ų137150.1 Ų150.170%0.70381%0.81SS**  57.2114128.7-55.3173.2000120.2
27S25.7Very low26.9Very low100 Ų100153.2 Ų153.270%0.69981%0.813SS**  53.1144.3126.1-145.20000124.2
28L27.5Very low26.1Very low174 Ų174153.4 Ų153.491%0.91182%0.823SS**  trans92.1127.2159.3-59.8174.1000118.9
29G23.3Very low26Very low81 Ų81149.5 Ų149.584%0.83581%0.81SS**  trans162.291.2163.700000114.2
30L26.6Very low26Very low175 Ų175149.5 Ų149.592%0.91681%0.81SS**  trans-69.9148.2168.3-77152.3000112.2
31S27.3Very low25.9Very low111 Ų111148.5 Ų148.578%0.77681%0.814SS**  trans178.9106.8137.8410000107.5
32E24.9Very low25.9Very low184 Ų184147 Ų14786%0.8682%0.815SS**  48.8110.593.5-81.1-168.1163.800115.1
33T25.9Very low25.8Very low139 Ų139146.7 Ų146.785%0.85382%0.82SS**  -161.7122.6127.88.50000112
34S24.6Very low25.8Very low103 Ų103145.4 Ų145.472%0.7281%0.814SS**  trans-5.8128.3158.155.60000119.4
35M25.8Very low25.7Very low173 Ų173144 Ų14485%0.85281%0.81SS**  58.4114.490.9-95.7-157.817100115.4
36Q24.5Very low25.6Very low198 Ų198140.3 Ų140.393%0.92581%0.808SS**  trans-161.5109.1132.2-108.41635.200110.6
37Q24.6Very low25.5Very low173 Ų173142.2 Ų142.281%0.80882%0.818SS**  trans-77.5139.5157.9-80.7173.5-3900108.7
38A24.2Very low25.5Very low105 Ų105144.5 Ų144.587%0.86882%0.822SS**  trans-138.9125155.500000108.9
39I23.8Very low25.5Very low131 Ų131141.7 Ų141.767%0.67281%0.814SS**  trans-99.4161.2176.5-64.6172.6000107.9
40F26Very low25.6Very low194 Ų194143.3 Ų143.385%0.85181%0.808SS**  trans97.8136.6168.7-66.7-77.5000114.5
41S25.2Very low25.6Very low112 Ų112144.2 Ų144.278%0.78381%0.805SS**  cis-165.9165.816.836.40000111.3
42H26.3Very low25.6Very low181 Ų181144.5 Ų144.584%0.83880%0.804SS**  trans-67.6155.9174.9-84.5-89.7000115.5
43T25.8Very low25.8Very low139 Ų139143.8 Ų143.885%0.85381%0.805SS**  trans153.1150.8142.638.50000107.8
44D24.9Very low26Very low141 Ų141142.4 Ų142.475%0.75480%0.799SS**  cis-161.3156.4-30.7-159.4-13.2000105
45S25.3Very low26.2Very low107 Ų107143.4 Ų143.475%0.74880%0.803SS**  trans-16140.4173.3-51.90000121.6
46A25.5Very low26.4Very low89 Ų89142.3 Ų142.374%0.73680%0.8SS**  169.8127.4120.500000115.9
47L28.3Very low26.8Very low176 Ų176138.3 Ų138.392%0.92179%0.792SS**  trans82.9121.2143.4-60.2164.7000122
48L25.2Very low27.2Very low148 Ų148134.9 Ų134.978%0.77578%0.782SS**  trans-68.2166.1176.3-64.1157.9000113.1T50L48-T50 HydrophobicContact CD2-CG2 4.4Å
49P26.7Very low27.5Very low116 Ų116136.9 Ų136.975%0.75378%0.779SS**  -136.1144.578.222.8-1.1000115.4
50T27.3Very low27.8Very low114 Ų114134.3 Ų134.370%0.69977%0.77SS**  trans-65138.2171.443.60000113.7L48L48-T50 HydrophobicContact CD2-CG2 4.4Å
51F26.6Very low28.3Very low195 Ų195128.9 Ų128.986%0.85575%0.75SS**  trans-135.4151.4156.5-90.3-80.2000110.1
52P26.8Very low28.7Very low117 Ų117126.7 Ų126.776%0.7673%0.732SS**PPolyproline II helixtrans-80.6143.3-153.231.1-33.7000113.9
53L28.9Very low29Very low169 Ų169127.1 Ų127.189%0.88573%0.734SS**PPolyproline II helixtrans-64.4139.6170.9-79144.5000111.2
54P29.3Very low29Very low110 Ų110129.2 Ų129.271%0.71474%0.738SS**PPolyproline II helixtrans-72.7155.5165.631-31.2000110.7
55P29.3Very low29Very low124 Ų124125.6 Ų125.681%0.80573%0.734SS**PPolyproline II helixtrans-71.6132.8-175.328.8-32.7000111.9
56D30.4Very low29Very low149 Ų149126.4 Ų126.480%0.79774%0.735SS**PPolyproline II helixtrans-55.2138.5170.9-102.8-29.6000112.7
57P33.4Very low28.9Very low115 Ų115130.5 Ų130.575%0.74774%0.744SS**  trans-122.872.2159.337.7-23.5000110.6
58T31.1Very low28.8Very low100 Ų100129.6 Ų129.661%0.61374%0.737SS**  trans-147.494.2168.3530000111.3
59N32Very low29Very low148 Ų148128.2 Ų128.279%0.79174%0.737SS**  trans-109.8123.8158.4-100.8-11.2000108.8
60P29.9Very low28.8Very low76 Ų76125.8 Ų125.849%0.49473%0.733SS.*  trans-60.6145.3162.826.2-30.8000109.1T62P60-T62 PolarHBondContact O-N 3.34Å
61L35.3Very low28.7Very low81 Ų81129 Ų12942%0.42474%0.739SS.*SBendtrans-71.960.9179.7-78164.1000112F359L61-F359 HydrophobicContact CD1-CZ 4.25Å
62T35.3Very low28.5Very low65 Ų65126.9 Ų126.940%0.39974%0.737SS.*  trans-134.3127.717444.60000106.6P60 A278P60-T62 PolarHBondContact O-N 3.34Å; T62-A278 HydrophobicContact CG2-CB 4.07Å
63H31Very low28.4Very low191 Ų191125.5 Ų125.588%0.88474%0.736SS**  trans98.798.5179.3-53.4-74.2000116.8
64L26.4Very low28.3Very low182 Ų182122.9 Ų122.995%0.95373%0.729SS**  trans-109.2104.7143.2-106.9153.7000106.3
65G24.8Very low28.1Very low65 Ų65128.8 Ų128.867%0.6774%0.737SS**PPolyproline II helixtrans-81.9135.1177.200000111.4
66T25.9Very low28Very low124 Ų124129.8 Ų129.876%0.76174%0.741SS**PPolyproline II helixtrans-52126.7160.4-370000110M68T66-M68 HydrophobicContact CG2-CE 4.45Å
67L24Very low27.7Very low175 Ų175126.6 Ų126.692%0.91674%0.743SS**PPolyproline II helixtrans-75.5130.6167.5-95.3156.6000109.7
68M24.9Very low27.1Very low157 Ų157124.3 Ų124.377%0.77374%0.741SS**PPolyproline II helixtrans-87.8173.2-173.3-87.5-70.910800112.6T66T66-M68 HydrophobicContact CG2-CE 4.45Å
69P29.8Very low26.9Very low119 Ų119131.2 Ų131.277%0.77376%0.756SS**PPolyproline II helixtrans-101166.3-149.739.7-34.8000114.9
70G22.3Very low26.4Very low66 Ų66131.6 Ų131.668%0.6876%0.758SS**  trans164.9110.6157.800000115.9
71H24.4Very low26.3Very low180 Ų180139 Ų13983%0.83378%0.776SS**  trans54128.3147.9-68.5-60.7000119.3
72D24Very low25.8Very low151 Ų151146.1 Ų146.181%0.80780%0.797SS**  cis-154.8155.333.4-88.4-43.2000112.7
73A23.1Very low25.4Very low89 Ų89150.9 Ų150.974%0.73682%0.819SS**  trans-76.2171.7-179.100000113
74P28.6Very low25.1Very low113 Ų113149 Ų14973%0.73482%0.816SS**  -146.3143.559.334.8-12.3000118.5
75R24.3Very low25.6Very low234 Ų234146 Ų14688%0.88381%0.807SS**  trans50.1115.3132.8-58.9-176.8174.6-164.8-1.8120.3
76T27Very low25.4Very low146 Ų146146.1 Ų146.190%0.89681%0.808SS**  -168.8121.5117.836.50000112.2
77G24.5Very low25.4Very low82 Ų82150.5 Ų150.585%0.84582%0.817SS**  trans46119.1154.800000120.5
78G21.3Very low25.4Very low67 Ų67151.2 Ų151.269%0.69182%0.816SS**  cis105.684.41900000111.5
79W25.4Very low25.4Very low244 Ų244147.3 Ų147.392%0.92482%0.815SS**  trans-145.792154.7-76.484.2000109.8
80D22.7Very low25.1Very low156 Ų156147.2 Ų147.283%0.83482%0.817SS**  trans-81.7126.8168-158.5-0.1000107.9
81R27.5Very low25.3Very low231 Ų231152.4 Ų152.487%0.87282%0.823SS**  trans-11492.3170.1-92-167.4-178.9-179.72.2110
82R24.1Very low25.5Very low232 Ų232151.4 Ų151.488%0.87582%0.823SS**  trans-16.4129.9149.5-66.4179.6176.3-168.9-2.6115.4
83L27.4Very low25.8Very low165 Ų165152.3 Ų152.386%0.86483%0.826SS**  trans-66.8130.5142.2-78.7153.1000109.1
84D24.4Very low25.8Very low152 Ų152151.6 Ų151.681%0.81383%0.828SS**  trans162.4167.7139.7-100.6-0.5000111.3
85P36.2Very low25.8Very low119 Ų119150.4 Ų150.477%0.77384%0.836SS**  -130.1174.9-84.625.9-0.5000112
86G22Very low25.9Very low67 Ų67143.5 Ų143.569%0.69183%0.829SS**  trans118.6104.9159.800000115.5
87F25.5Very low26.1Very low215 Ų215148.7 Ų148.794%0.94383%0.832SS**  -160.7104.3110.7-115.9-86.4000108.7
88Q24.3Very low26.4Very low191 Ų191153.3 Ų153.389%0.89383%0.832SS**  trans-70.6145.9161.6-86.7171.1-29.600109.4
89G23.6Very low27.1Very low74 Ų74153.6 Ų153.676%0.76383%0.827SS**  trans110.785.8146.600000116.5
90C24.1Very low27.4Very low118 Ų118151.9 Ų151.980%0.79783%0.827SS**  -142.192.7128.8-153.50000108.3L92C90-L92 PolarHBondContact O-N 3.42Å
91H26.4Very low28.3Very low175 Ų175154.3 Ų154.381%0.8182%0.824SS**  trans-68.2112.9162.7-93.5-77.7000107.5
92L29Very low29.3Very low159 Ų159148.3 Ų148.383%0.83281%0.806SS**  trans-111.6104.4157-85.9160.9000107.6C90 G94C90-L92 PolarHBondContact O-N 3.42Å; L92-G94 PolarHBondContact O-N 3.41Å
93L29.4Very low30.5Very low169 Ų169140.6 Ų140.689%0.88579%0.792SS**  trans-63.3120.1163.8-109.284.3000108.3
94G24.6Very low32Very low74 Ų74140.2 Ų140.276%0.76379%0.785SS**  trans-16595.7169.600000108.9L92 A96L92-G94 PolarHBondContact O-N 3.41Å; G94-A96 PolarHBondContact O-N 2.77Å
95G27.7Very low34.7Very low88 Ų88133.3 Ų133.391%0.90775%0.749SS**  trans-71.1121.2-171.800000113.6
96A25.9Very low37.3Very low89 Ų89129 Ų12974%0.73672%0.72SS**  trans-158.3135.3141.100000106.4G94 E98G94-A96 PolarHBondContact O-N 2.77Å; A96-E98 PolarHBondContact O-N 2.85Å
97R32.8Very low40.7Very low255 Ų255126 Ų12696%0.96269%0.688SS**  trans-52.992.7179.4-76169.2161172.6-6.6110.9A99R97-A99 VanDerWaalsContact C-N 3.29Å; R97-A99 PolarHBondContact O-N 2.95Å
98E31.1Very low44Very low180 Ų180116.3 Ų116.384%0.84165%0.647SS**  trans-69.196.6161.3-84.4-173.9151.100107A96 K100A96-E98 PolarHBondContact O-N 2.85Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 2.78Å
99A34.1Very low47.4Very low72 Ų72107.2 Ų107.260%0.59560%0.604SS**  trans-56.3102.1162.600000107.1R97 R101R97-A99 VanDerWaalsContact C-N 3.29Å; R97-A99 PolarHBondContact O-N 2.95Å; A99-R101 HydrophobicContact CB-CB 3.93Å; A99-R101 HydrophobicContact CB-CG 3.97Å; A99-R101 PolarHBondContact O-N 3.12Å
100K31.5Very low50.9Low209 Ų209104.4 Ų104.491%0.90957%0.573SS**  trans-55.365.1147.1-166.8-179.3-175.1179.70107.8E98 E102E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 2.78Å; K100-E102 PolarHBondContact O-N 3.39Å
101R43Very low54.4Low207 Ų20798.8 Ų98.878%0.78154%0.535SS*.  trans-82.490.4-171-130.3176.7-173.1-172.61.7107.9A99 A103A99-R101 HydrophobicContact CB-CB 3.93Å; A99-R101 HydrophobicContact CB-CG 3.97Å; A99-R101 PolarHBondContact O-N 3.12Å; R101-A103 PolarHBondContact O-N 3.13Å
102E48.5Very low57.8Low105 Ų10591.1 Ų91.149%0.49150%0.499SS..  trans49.954.1134-62.6178158.700118.3K100 H104 A105 N410K100-E102 PolarHBondContact O-N 3.39Å; E102-H104 PolarHBondContact O-N 3.33Å; E102-H104 VanDerWaalsContact O-N 3.11Å; E102-A105 HydrophobicContact CB-CB 4.02Å; E102-A105 PolarHBondContact O-N 2.71Å; E102-N410 PolarHBondContact O-ND2 3.07Å
103A48.9Very low61.1Low70 Ų7083.5 Ų83.558%0.57946%0.46SS*.THydrogen-bonded Turntrans-57.3-16.7155.300000112.4R101R101-A103 PolarHBondContact O-N 3.13Å
104H58.2Low64.4Low156 Ų15675.9 Ų75.972%0.72242%0.421SS*.THydrogen-bonded Turntrans-96.113.6-175.6-60.4-65.7000115E102 H139E102-H104 PolarHBondContact O-N 3.33Å; E102-H104 VanDerWaalsContact O-N 3.11Å; H104-H139 VanDerWaalsContact O-CB 3.28Å; H104-H139 WeakPolarHBondContact O-CB 3.4Å; H104-H139 PolarHBondContact O-ND1 3.5Å
105A81.2Confident67.8Low8 Ų875.4 Ų75.47%0.06640%0.398CS..  trans-120.223.2-178.600000113.9E102 G140E102-A105 HydrophobicContact CB-CB 4.02Å; E102-A105 PolarHBondContact O-N 2.71Å; A105-G140 WeakPolarHBondContact O-CA 3.49Å
106D91.4Very high71.1Confident29 Ų2971.6 Ų71.616%0.15536%0.357CS..  trans-70.4147.5177.7-65.4-15.2000111.9G138 H139 G140 T408 N410 R506D106-G138 CarbonylContact O-C 3.55Å; D106-G138 VanDerWaalsContact O-C 3.26Å; D106-G138 VanDerWaalsContact O-CA 3.28Å; D106-G138 WeakPolarHBondContact O-CA 3.5Å; D106-H139 PolarHBondContact O-N 3.38Å; D106-G140 PolarHBondContact O-N 3.27Å; D106-T408 HydrophobicContact CB-CG2 4.03Å; D106-N410 WeakPolarHBondContact OD1-CB 3.25Å; D106-N410 PolarHBondContact OD1-ND2 2.99Å; D106-R506 VanDerWaalsContact CG-CZ 3.46Å; D106-R506 VanDerWaalsContact CG-NH2 3.26Å; D106-R506 IonicContact OD1-CZ 3.79Å; D106-R506 IonicContact OD1-NE 2.97Å; D106-R506 IonicContact OD1-NH1 2.73Å; D106-R506 IonicContact OD1-NH2 3.78Å; D106-R506 PolarHBondContact OD1-NH2 2.95Å; D106-R506 IonicContact OD2-CZ 3.29Å; D106-R506 IonicContact OD2-NE 3.8Å; D106-R506 IonicContact OD2-NH1 2.98Å; D106-R506 PolarHBondContact OD2-NH1 2.84Å; D106-R506 IonicContact OD2-NH2 2.71Å; D106-R506 PolarHBondContact OD2-NH2 3.21Å
107Q93Very high74.5Confident2 Ų267.6 Ų67.61%0.00932%0.324CS..EExtended strand (participates in β ladder)trans-117.3123.8177.1-72.3153.8-21.100107.8G140 W141 T408 F409Q107-G140 VanDerWaalsContact CG-C 3.47Å; Q107-G140 PolarHBondContact NE2-O 3.08Å; Q107-G140 VanDerWaalsContact NE2-O 3.16Å; Q107-W141 HydrophobicContact CB-CD2 4.19Å; Q107-W141 HydrophobicContact CB-CG 4.35Å; Q107-W141 HydrophobicContact CB-CZ2 4Å; Q107-W141 HydrophobicContact CG-CD2 3.95Å; Q107-W141 HydrophobicContact CG-CG 3.94Å; Q107-T408 WeakPolarHBondContact O-CA 3.1Å; Q107-F409 HydrophobicContact CB-CD2 3.98Å; Q107-F409 HydrophobicContact CB-CE1 4.33Å; Q107-F409 HydrophobicContact CB-CE2 3.66Å; Q107-F409 HydrophobicContact CB-CG 4.46Å; Q107-F409 HydrophobicContact CB-CZ 3.85Å; Q107-F409 HydrophobicContact CG-CE2 4.3Å; Q107-F409 PolarHBondContact N-O 3.32Å; Q107-F409 PolarHBondContact O-N 3.41Å; Q107-F409 VanDerWaalsContact OE1-CD2 3.25Å
108S94.6Very high77.5Confident13 Ų1357.3 Ų57.39%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-117.8135.8179.8-60.10000111S137 W141 F407 T408S108-S137 WeakPolarHBondContact CA-O 3.29Å; S108-S137 WeakPolarHBondContact CB-O 3.32Å; S108-S137 PolarHBondContact N-O 3.48Å; S108-S137 PolarHBondContact O-N 3.13Å; S108-S137 VanDerWaalsContact O-N 3.09Å; S108-S137 VanDerWaalsContact O-O 3.1Å; S108-W141 PolarHBondContact O-NE1 3.01Å; S108-F407 CarbonylContact C-O 3.39Å; S108-F407 VanDerWaalsContact CA-O 3.3Å; S108-F407 WeakPolarHBondContact CA-O 3.4Å; S108-T408 PolarHBondContact OG-OG1 3.23Å; S108-T408 VanDerWaalsContact OG-OG1 3.11Å
109V96.8Very high80.5Confident0 Ų050.2 Ų50.20%025%0.253CS..EExtended strand (participates in β ladder)trans-121.2118.3169.2-1780000107.7V134 Y135 W141 L212 L214 F225 F407 F409V109-V134 HydrophobicContact CG1-CG1 4.14Å; V109-Y135 WeakPolarHBondContact CA-O 3.05Å; V109-W141 HydrophobicContact CG2-CH2 4.2Å; V109-W141 HydrophobicContact CG2-CZ2 3.58Å; V109-L212 HydrophobicContact CG1-CD2 3.71Å; V109-L214 HydrophobicContact CG1-CD1 4.15Å; V109-L214 HydrophobicContact CG2-CD1 3.81Å; V109-F225 HydrophobicContact CB-CE1 4.38Å; V109-F225 HydrophobicContact CB-CZ 4.44Å; V109-F225 HydrophobicContact CG1-CD2 4.35Å; V109-F225 HydrophobicContact CG1-CG 4.43Å; V109-F225 HydrophobicContact CG2-CE1 4.24Å; V109-F225 HydrophobicContact CG2-CE2 4.18Å; V109-F225 HydrophobicContact CG2-CZ 3.88Å; V109-F407 HydrophobicContact CB-CB 4.38Å; V109-F407 PolarHBondContact N-O 3.2Å; V109-F407 WeakPolarHBondContact O-CD2 3.44Å; V109-F407 PolarHBondContact O-N 2.84Å; V109-F409 HydrophobicContact CG2-CE1 4.13Å
110T96.6Very high83.4Confident15 Ų1546.9 Ų46.99%0.09223%0.225CC..EExtended strand (participates in β ladder)trans-112.9125.6-179.5-39.50000109.9L112 V134 Y135 V404 V405 E406T110-L112 HydrophobicContact CG2-CD1 3.8Å; T110-V134 CarbonylContact O-C 3.54Å; T110-V134 VanDerWaalsContact O-CA 3.28Å; T110-V134 WeakPolarHBondContact O-CA 3.45Å; T110-Y135 PolarHBondContact N-O 3.45Å; T110-Y135 PolarHBondContact O-N 3.22Å; T110-V404 HydrophobicContact CG2-CG1 3.57Å; T110-V405 CarbonylContact C-O 3.54Å; T110-V405 VanDerWaalsContact CA-O 3.3Å; T110-V405 WeakPolarHBondContact CA-O 3.37Å; T110-E406 HydrophobicContact CG2-CB 4.35Å
111I97.6Very high86.3Confident0 Ų041.5 Ų41.50%020%0.2CC..EExtended strand (participates in β ladder)trans-108.7120.9174.9-54177.9000108.4C133 M164 L212 F225 V405 F407I111-C133 WeakPolarHBondContact CA-O 3.28Å; I111-M164 HydrophobicContact CG2-CE 4.32Å; I111-L212 HydrophobicContact CD1-CB 3.9Å; I111-L212 HydrophobicContact CD1-CD2 4Å; I111-L212 HydrophobicContact CG1-CD2 4.08Å; I111-F225 HydrophobicContact CD1-CB 4Å; I111-V405 PolarHBondContact N-O 2.99Å; I111-V405 PolarHBondContact O-N 3.49Å; I111-F407 HydrophobicContact CD1-CE2 4.02Å; I111-F407 HydrophobicContact CG1-CE2 4.43Å
112L98Very high88.7Confident13 Ų1334.1 Ų34.17%0.06819%0.188CC..EExtended strand (participates in β ladder)trans-109.7135.1171.8-60.869.6000109.4T110 P132 C133 Y135 W286 E403 V404T110-L112 HydrophobicContact CG2-CD1 3.8Å; L112-P132 CarbonylContact O-C 3.56Å; L112-P132 VanDerWaalsContact O-CA 3.25Å; L112-P132 WeakPolarHBondContact O-CA 3.36Å; L112-C133 PolarHBondContact N-O 3.11Å; L112-C133 PolarHBondContact O-N 3.2Å; L112-Y135 HydrophobicContact CD1-CD2 3.45Å; L112-Y135 VanDerWaalsContact CD1-CD2 3.45Å; L112-Y135 HydrophobicContact CD1-CE2 3.6Å; L112-Y135 HydrophobicContact CD2-CE2 4.16Å; L112-Y135 HydrophobicContact CG-CE2 4.49Å; L112-W286 HydrophobicContact CB-CH2 3.48Å; L112-W286 VanDerWaalsContact CB-CH2 3.48Å; L112-W286 HydrophobicContact CB-CZ2 3.63Å; L112-W286 HydrophobicContact CB-CZ3 4.28Å; L112-W286 HydrophobicContact CD2-CH2 4.27Å; L112-W286 HydrophobicContact CD2-CZ3 4.28Å; L112-W286 HydrophobicContact CG-CH2 4.49Å; L112-E403 WeakPolarHBondContact CA-O 3.42Å; L112-V404 HydrophobicContact CD1-CG1 4.33Å; L112-V404 HydrophobicContact CD2-CG2 4.26Å; L112-V404 HydrophobicContact CG-CB 4.44Å; L112-V404 HydrophobicContact CG-CG1 4.1Å; L112-V404 HydrophobicContact CG-CG2 4Å
113H98.2Very high90.8Very high0 Ų037.1 Ų37.10%021%0.207CC..EExtended strand (participates in β ladder)trans-154.3164179.765.993000112.1P132 L210 S227 R228 I230 V402 E403H113-P132 HydrophobicContact CB-CB 4.29Å; H113-P132 HydrophobicContact CB-CG 4.41Å; H113-L210 HydrophobicContact CB-CD1 3.85Å; H113-S227 WeakPolarHBondContact NE2-CB 3.46Å; H113-R228 PolarHBondContact CE1-O 3.04Å; H113-R228 VanDerWaalsContact CE1-O 3.26Å; H113-R228 PolarHBondContact NE2-N 3.29Å; H113-I230 HydrophobicContact CB-CD1 4.27Å; H113-I230 VanDerWaalsContact ND1-CD1 3.34Å; H113-I230 WeakPolarHBondContact ND1-CD1 3.35Å; H113-I230 WeakPolarHBondContact ND1-CG1 3.09Å; H113-V402 CarbonylContact O-C 3.58Å; H113-V402 VanDerWaalsContact O-CA 3.26Å; H113-V402 WeakPolarHBondContact O-CA 3.18Å; H113-V402 WeakPolarHBondContact O-CB 3.37Å; H113-E403 PolarHBondContact N-O 3.28Å; H113-E403 VanDerWaalsContact N-O 3.08Å; H113-E403 PolarHBondContact O-N 3.1Å
114A98.1Very high92.9Very high8 Ų837.9 Ų37.97%0.06620%0.199CC..EExtended strand (participates in β ladder)trans-72148.2170.300000112V116 I400A114-V116 VanDerWaalsContact C-N 3.27Å; A114-V116 WeakPolarHBondContact CB-O 3.38Å; A114-V116 PolarHBondContact O-N 3.08Å; A114-I400 HydrophobicContact CB-CD1 3.53Å; A114-I400 HydrophobicContact CB-CG1 4.23Å
115K97.6Very high94.5Very high65 Ų6536.6 Ų36.628%0.28319%0.192SC..SBendtrans-71.1-22.2172.7-71.8-174.2-174-136.90113.2I230 K231 G401 V402 E403K115-I230 WeakPolarHBondContact O-CA 3.37Å; K115-K231 PolarHBondContact O-N 3.03Å; K115-G401 PolarHBondContact N-O 3.28Å; K115-V402 WeakPolarHBondContact CE-O 3.4Å; K115-E403 HydrophobicContact CD-CG 4.42Å; K115-E403 WeakPolarHBondContact CE-OE1 3.44Å; K115-E403 HydrophobicContact CG-CG 3.82Å; K115-E403 IonicContact NZ-OE1 3.21Å; K115-E403 PolarHBondContact NZ-OE1 3.12Å
116V97.1Very high95.1Very high7 Ų740 Ų404%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-129.9151.2-180-56.60000111.8A114 K231 I233 L248 Q351 I400A114-V116 VanDerWaalsContact C-N 3.27Å; A114-V116 WeakPolarHBondContact CB-O 3.38Å; A114-V116 PolarHBondContact O-N 3.08Å; V116-K231 CarbonylContact C-O 3.31Å; V116-K231 WeakPolarHBondContact CA-O 3.49Å; V116-K231 HydrophobicContact CG1-CB 4.24Å; V116-I233 HydrophobicContact CB-CD1 4.32Å; V116-I233 HydrophobicContact CB-CG2 4.44Å; V116-I233 HydrophobicContact CG2-CD1 4.09Å; V116-L248 HydrophobicContact CG1-CD2 4.44Å; V116-Q351 HydrophobicContact CG1-CB 4.37Å; V116-Q351 HydrophobicContact CG1-CG 3.88Å; V116-Q351 HydrophobicContact CG2-CB 3.83Å; V116-Q351 HydrophobicContact CG2-CG 4.14Å; V116-I400 HydrophobicContact CG2-CD1 3.83Å; V116-I400 HydrophobicContact CG2-CG1 4.09Å
117A96.8Very high95.2Very high5 Ų542.6 Ų42.64%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-133.2131.8175.800000111F128 F208 I230 K231 V232 I233A117-F128 HydrophobicContact CB-CD1 3.8Å; A117-F128 HydrophobicContact CB-CE1 3.53Å; A117-F128 HydrophobicContact CB-CZ 4.11Å; A117-F208 HydrophobicContact CB-CE1 3.87Å; A117-F208 HydrophobicContact CB-CZ 3.8Å; A117-I230 HydrophobicContact CB-CG2 3.8Å; A117-K231 PolarHBondContact N-O 2.99Å; A117-V232 WeakPolarHBondContact O-CA 3.17Å; A117-I233 WeakPolarHBondContact O-CG1 3.43Å; A117-I233 PolarHBondContact O-N 3.35Å
118Q95.3Very high95.4Very high40 Ų4043.3 Ų43.319%0.18722%0.216CC..EExtended strand (participates in β ladder)trans-80.5128.6176.5-169.2-178.4-2.500110.9I233 S234Q118-I233 WeakPolarHBondContact CA-O 3.3Å; Q118-I233 HydrophobicContact CB-CG1 4.41Å; Q118-S234 WeakPolarHBondContact CG-O 3.31Å; Q118-S234 PolarHBondContact NE2-O 2.92Å
119K94.4Very high95.5Very high30 Ų3043.6 Ų43.613%0.1322%0.218CC..PPolyproline II helixtrans-66138.3176.7-179.1171.1-74.6-146.30112.1Y121 R126 D201 D203 V232 I233K119-Y121 HydrophobicContact CB-CE2 4.22Å; K119-Y121 HydrophobicContact CD-CE1 4.2Å; K119-Y121 HydrophobicContact CG-CE2 4.22Å; K119-R126 WeakPolarHBondContact O-CD 3.37Å; K119-D201 HydrophobicContact CD-CB 3.79Å; K119-D201 HydrophobicContact CG-CB 3.95Å; K119-D203 PolarHBondContact NZ-O 2.85Å; K119-V232 HydrophobicContact CB-CG1 4.13Å; K119-I233 PolarHBondContact N-O 3.47Å
120S94.1Very high95.5Very high2 Ų243.6 Ų43.61%0.01422%0.218CC..BIsolated β-bridgetrans-89.8136.4172.2-59.60000110.1E124 R126 I199 S200 D201S120-E124 VanDerWaalsContact CB-O 3.28Å; S120-E124 WeakPolarHBondContact CB-O 3.06Å; S120-R126 PolarHBondContact OG-N 2.52Å; S120-I199 VanDerWaalsContact CB-O 3.27Å; S120-I199 WeakPolarHBondContact CB-O 3.29Å; S120-I199 PolarHBondContact N-O 2.73Å; S120-I199 PolarHBondContact OG-O 2.91Å; S120-S200 CarbonylContact O-C 3.53Å; S120-D201 WeakPolarHBondContact O-CB 3.37Å; S120-D201 PolarHBondContact O-N 3.36Å
121Y93.8Very high95.5Very high97 Ų9743.1 Ų43.138%0.3822%0.215SC..  trans-114.3133.2-175.6-71.4-87.6000111.5K119 N123 E124 D201 S234K119-Y121 HydrophobicContact CB-CE2 4.22Å; K119-Y121 HydrophobicContact CD-CE1 4.2Å; K119-Y121 HydrophobicContact CG-CE2 4.22Å; Y121-N123 PolarHBondContact O-N 3.14Å; Y121-E124 WeakPolarHBondContact O-CB 3.36Å; Y121-E124 PolarHBondContact O-N 3.17Å; Y121-E124 VanDerWaalsContact O-N 3.16Å; Y121-D201 HydrophobicContact CD1-CB 3.76Å; Y121-D201 HydrophobicContact CE1-CB 4.12Å; Y121-D201 HydrophobicContact CG-CB 4.39Å; Y121-S234 WeakPolarHBondContact OH-CB 3.34Å
122G93.4Very high95.5Very high52 Ų5243.2 Ų43.254%0.53622%0.215SC..THydrogen-bonded Turntrans58.6-123.4-177.500000111.5D201G122-D201 PolarHBondContact N-OD1 2.95Å; G122-D201 PolarHBondContact N-OD2 2.83Å
123N92.7Very high95.4Very high167 Ų16742.6 Ų42.689%0.89321%0.212SC*.THydrogen-bonded Turntrans-93.7-3.8-179.5-63.5-28.4000113.7Y121Y121-N123 PolarHBondContact O-N 3.14Å
124E91.6Very high95.4Very high86 Ų8642.6 Ų42.640%0.40221%0.212SC..  trans-64.9144.7175.3-174.2-176.7-171.300109.9S120 Y121 R126S120-E124 VanDerWaalsContact CB-O 3.28Å; S120-E124 WeakPolarHBondContact CB-O 3.06Å; Y121-E124 WeakPolarHBondContact O-CB 3.36Å; Y121-E124 PolarHBondContact O-N 3.17Å; Y121-E124 VanDerWaalsContact O-N 3.16Å; E124-R126 VanDerWaalsContact CD-CZ 3.45Å; E124-R126 VanDerWaalsContact CD-NE 3.33Å; E124-R126 HydrophobicContact CG-CG 4.21Å; E124-R126 IonicContact OE1-CZ 3.85Å; E124-R126 IonicContact OE1-NE 2.96Å; E124-R126 PolarHBondContact OE1-NE 2.81Å; E124-R126 IonicContact OE1-NH1 3.46Å; E124-R126 IonicContact OE1-NH2 2.65Å; E124-R126 PolarHBondContact OE1-NH2 3.38Å; E124-R126 IonicContact OE2-CZ 3.56Å; E124-R126 VanDerWaalsContact OE2-CZ 3.22Å; E124-R126 IonicContact OE2-NE 2.73Å; E124-R126 PolarHBondContact OE2-NE 3.18Å; E124-R126 IonicContact OE2-NH2 2.75Å; E124-R126 PolarHBondContact OE2-NH2 3.23Å
125K92.2Very high95.2Very high130 Ų13043.4 Ų43.457%0.56521%0.214SC*.  trans-118.2108.9170.9-65.5-177.3-179.11800110.3F127 F198K125-F127 HydrophobicContact CB-CE1 3.94Å; K125-F127 HydrophobicContact CB-CZ 4.08Å; K125-F127 HydrophobicContact CD-CE1 4.28Å; K125-F127 HydrophobicContact CD-CZ 4.41Å; K125-F198 HydrophobicContact CB-CG 4.45Å; K125-F198 HydrophobicContact CD-CD1 4.27Å; K125-F198 HydrophobicContact CD-CE1 3.85Å; K125-F198 HydrophobicContact CD-CZ 4.06Å; K125-F198 HydrophobicContact CG-CD1 4.33Å; K125-F198 HydrophobicContact CG-CD2 4.37Å; K125-F198 HydrophobicContact CG-CE1 4.17Å; K125-F198 HydrophobicContact CG-CE2 4.19Å; K125-F198 HydrophobicContact CG-CG 4.45Å; K125-F198 HydrophobicContact CG-CZ 4.1Å
126R93.3Very high95.1Very high78 Ų7840.5 Ų40.529%0.29420%0.201SC..  trans-96.994.3172.9-62.7-177.1-177.2-90.9-9.8108.5K119 S120 E124 F198K119-R126 WeakPolarHBondContact O-CD 3.37Å; S120-R126 PolarHBondContact OG-N 2.52Å; E124-R126 VanDerWaalsContact CD-CZ 3.45Å; E124-R126 VanDerWaalsContact CD-NE 3.33Å; E124-R126 HydrophobicContact CG-CG 4.21Å; E124-R126 IonicContact OE1-CZ 3.85Å; E124-R126 IonicContact OE1-NE 2.96Å; E124-R126 PolarHBondContact OE1-NE 2.81Å; E124-R126 IonicContact OE1-NH1 3.46Å; E124-R126 IonicContact OE1-NH2 2.65Å; E124-R126 PolarHBondContact OE1-NH2 3.38Å; E124-R126 IonicContact OE2-CZ 3.56Å; E124-R126 VanDerWaalsContact OE2-CZ 3.22Å; E124-R126 IonicContact OE2-NE 2.73Å; E124-R126 PolarHBondContact OE2-NE 3.18Å; E124-R126 IonicContact OE2-NH2 2.75Å; E124-R126 PolarHBondContact OE2-NH2 3.23Å; R126-F198 WeakPolarHBondContact O-CB 3.26Å
127F94.9Very high94.9Very high85 Ų8541.6 Ų41.637%0.37321%0.209SC..  trans-64.9146.1177.9-56.6-51.6000111.6K125 C129 K195 S196 L197 F198K125-F127 HydrophobicContact CB-CE1 3.94Å; K125-F127 HydrophobicContact CB-CZ 4.08Å; K125-F127 HydrophobicContact CD-CE1 4.28Å; K125-F127 HydrophobicContact CD-CZ 4.41Å; F127-C129 PolarHBondContact O-N 3.1Å; F127-K195 WeakPolarHBondContact CB-O 3.4Å; F127-S196 WeakPolarHBondContact CD1-O 3.42Å; F127-S196 WeakPolarHBondContact CE1-O 3.12Å; F127-L197 CarbonylContact C-O 3.58Å; F127-L197 VanDerWaalsContact CA-O 3.26Å; F127-L197 WeakPolarHBondContact CA-O 3.31Å; F127-F198 HydrophobicContact CD1-CB 4.25Å; F127-F198 HydrophobicContact CD1-CD1 4.35Å; F127-F198 HydrophobicContact CE1-CD1 4.17Å
128F96.1Very high94.6Very high17 Ų1743 Ų438%0.07523%0.225CC..  trans-60.3135.1176.3-60.2-18.7000110.8A117 P130 P132 L166 L197 I199 F208 L210A117-F128 HydrophobicContact CB-CD1 3.8Å; A117-F128 HydrophobicContact CB-CE1 3.53Å; A117-F128 HydrophobicContact CB-CZ 4.11Å; F128-P130 CarbonylContact C-O 3.58Å; F128-P130 CarbonylContact O-C 3.37Å; F128-P132 HydrophobicContact CB-CG 4.5Å; F128-P132 HydrophobicContact CD2-CG 4.09Å; F128-L166 HydrophobicContact CE2-CD2 4.08Å; F128-L166 HydrophobicContact CZ-CD2 4.01Å; F128-L197 HydrophobicContact CD2-CB 3.66Å; F128-L197 HydrophobicContact CE2-CB 3.85Å; F128-L197 HydrophobicContact CG-CB 4.41Å; F128-L197 PolarHBondContact N-O 3.06Å; F128-I199 HydrophobicContact CE1-CB 4.3Å; F128-I199 HydrophobicContact CE1-CG2 4.06Å; F128-I199 HydrophobicContact CZ-CB 4.22Å; F128-I199 HydrophobicContact CZ-CG2 4.4Å; F128-F208 HydrophobicContact CE1-CZ 4.29Å; F128-F208 HydrophobicContact CE2-CE2 4.06Å; F128-F208 AromaticContact CE2-CZ 3.87Å; F128-F208 HydrophobicContact CE2-CZ 3.87Å; F128-F208 HydrophobicContact CZ-CE1 4.39Å; F128-F208 HydrophobicContact CZ-CE2 4.08Å; F128-F208 AromaticContact CZ-CZ 3.52Å; F128-F208 HydrophobicContact CZ-CZ 3.52Å; F128-L210 HydrophobicContact CE2-CD2 4.18Å
129C95.9Very high94.2Very high19 Ų1945.6 Ų45.613%0.12824%0.237CC..SBendtrans-141.6116-175.8-170.20000109.8F127 F259 R261F127-C129 PolarHBondContact O-N 3.1Å; C129-F259 HydrophobicContact CB-CZ 4.5Å; C129-R261 PolarHBondContact SG-NH2 3.08Å
130P97.4Very high93.9Very high0 Ų044.3 Ų44.30%023%0.231CC..SBendcis-65.1154.2-0.430.6-38.3000113.1F128 A257 Y271 W286 I400 V402F128-P130 CarbonylContact C-O 3.58Å; F128-P130 CarbonylContact O-C 3.37Å; P130-A257 HydrophobicContact CG-CB 4.03Å; P130-Y271 HydrophobicContact CB-CD1 3.96Å; P130-Y271 HydrophobicContact CB-CE1 3.7Å; P130-W286 HydrophobicContact CB-CB 4.45Å; P130-W286 HydrophobicContact CB-CD2 3.66Å; P130-W286 HydrophobicContact CB-CE3 4.33Å; P130-W286 HydrophobicContact CB-CG 3.71Å; P130-W286 HydrophobicContact CB-CZ2 4.14Å; P130-W286 HydrophobicContact CG-CD2 3.88Å; P130-W286 HydrophobicContact CG-CE3 4.08Å; P130-W286 HydrophobicContact CG-CG 4.42Å; P130-W286 HydrophobicContact CG-CH2 4.06Å; P130-W286 HydrophobicContact CG-CZ2 3.89Å; P130-W286 HydrophobicContact CG-CZ3 4.18Å; P130-I400 HydrophobicContact CG-CG2 4.47Å; P130-V402 HydrophobicContact CG-CG1 4.25Å
131P97.1Very high93.6Very high5 Ų545.1 Ų45.13%0.03223%0.234CC..PPolyproline II helixtrans-66.9135.7178.428.5-35.1000109.5C133 K195 Y271 W286P131-C133 PolarHBondContact O-N 3.1Å; P131-K195 HydrophobicContact CB-CG 4.25Å; P131-K195 HydrophobicContact CG-CG 4.45Å; P131-Y271 VanDerWaalsContact CD-OH 3.26Å; P131-Y271 WeakPolarHBondContact CD-OH 3.21Å; P131-W286 PolarHBondContact O-NE1 3.14Å
132P97.6Very high93.1Very high2 Ų244 Ų441%0.01323%0.229CC..PPolyproline II helixtrans-53.6135.5173.1-26.134.8000110.6L112 H113 F128 M164 C193 A194 L197 L210L112-P132 CarbonylContact O-C 3.56Å; L112-P132 VanDerWaalsContact O-CA 3.25Å; L112-P132 WeakPolarHBondContact O-CA 3.36Å; H113-P132 HydrophobicContact CB-CB 4.29Å; H113-P132 HydrophobicContact CB-CG 4.41Å; F128-P132 HydrophobicContact CB-CG 4.5Å; F128-P132 HydrophobicContact CD2-CG 4.09Å; P132-M164 HydrophobicContact CB-SD 3.78Å; P132-C193 CarbonylContact O-C 3.45Å; P132-C193 WeakPolarHBondContact O-CA 3.38Å; P132-A194 HydrophobicContact CB-CB 4.46Å; P132-A194 PolarHBondContact O-N 2.69Å; P132-L197 HydrophobicContact CG-CD1 4.27Å; P132-L210 HydrophobicContact CB-CD1 3.6Å; P132-L210 HydrophobicContact CG-CD1 3.56Å
133C96.1Very high92.6Very high0 Ų043.7 Ų43.70%022%0.217CC..EExtended strand (participates in β ladder)trans-128.1153.8178.963.40000111.8I111 L112 P131 F191 A192 C193I111-C133 WeakPolarHBondContact CA-O 3.28Å; L112-C133 PolarHBondContact N-O 3.11Å; L112-C133 PolarHBondContact O-N 3.2Å; P131-C133 PolarHBondContact O-N 3.1Å; C133-F191 HydrophobicContact CB-CD2 4.46Å; C133-F191 HydrophobicContact CB-CE2 3.61Å; C133-F191 HydrophobicContact CB-CZ 4.22Å; C133-A192 CarbonylContact C-O 3.48Å; C133-A192 VanDerWaalsContact CA-O 3.26Å; C133-A192 WeakPolarHBondContact CA-O 3.37Å; C133-A192 WeakPolarHBondContact CB-O 3.43Å; C133-C193 HydrophobicContact CB-CB 4.05Å
134V97.1Very high92.1Very high0 Ų036.2 Ų36.20%018%0.177CC..EExtended strand (participates in β ladder)trans-125.4128.9-177.4-1770000108V109 T110 I136 M164 L179 F181 F191 A192 L212V109-V134 HydrophobicContact CG1-CG1 4.14Å; T110-V134 CarbonylContact O-C 3.54Å; T110-V134 VanDerWaalsContact O-CA 3.28Å; T110-V134 WeakPolarHBondContact O-CA 3.45Å; V134-I136 HydrophobicContact CG1-CG1 4.36Å; V134-M164 HydrophobicContact CG2-CE 3.39Å; V134-L179 HydrophobicContact CB-CD1 4.35Å; V134-L179 HydrophobicContact CG2-CD1 3.72Å; V134-F181 HydrophobicContact CB-CE1 4.05Å; V134-F181 HydrophobicContact CB-CZ 4.3Å; V134-F181 HydrophobicContact CG1-CE1 3.84Å; V134-F181 HydrophobicContact CG1-CZ 3.97Å; V134-F191 WeakPolarHBondContact O-CA 3.49Å; V134-A192 PolarHBondContact N-O 2.88Å; V134-A192 PolarHBondContact O-N 2.79Å; V134-L212 HydrophobicContact CB-CD2 4.45Å; V134-L212 HydrophobicContact CG1-CD2 3.65Å; V134-L212 HydrophobicContact CG2-CD1 4.17Å; V134-L212 HydrophobicContact CG2-CD2 3.89Å
135Y95.3Very high91.5Very high24 Ų2435.2 Ų35.29%0.09417%0.172CC..EExtended strand (participates in β ladder)trans-112.4137.6169.6-64.7-90.3000109.8V109 T110 L112 Q189 L190 F191V109-Y135 WeakPolarHBondContact CA-O 3.05Å; T110-Y135 PolarHBondContact N-O 3.45Å; T110-Y135 PolarHBondContact O-N 3.22Å; L112-Y135 HydrophobicContact CD1-CD2 3.45Å; L112-Y135 VanDerWaalsContact CD1-CD2 3.45Å; L112-Y135 HydrophobicContact CD1-CE2 3.6Å; L112-Y135 HydrophobicContact CD2-CE2 4.16Å; L112-Y135 HydrophobicContact CG-CE2 4.49Å; Y135-Q189 HydrophobicContact CD1-CG 4.11Å; Y135-L190 CarbonylContact C-O 3.57Å; Y135-L190 WeakPolarHBondContact CA-O 3.26Å; Y135-F191 HydrophobicContact CD1-CB 4.27Å; Y135-F191 AromaticContact CD1-CD2 3.82Å; Y135-F191 HydrophobicContact CD1-CD2 3.82Å; Y135-F191 HydrophobicContact CE1-CB 4.26Å; Y135-F191 AromaticContact CE1-CD2 3.32Å; Y135-F191 HydrophobicContact CE1-CD2 3.32Å; Y135-F191 AromaticContact CE1-CE2 4Å; Y135-F191 HydrophobicContact CE1-CE2 4Å; Y135-F191 HydrophobicContact CE1-CG 4.14Å; Y135-F191 HydrophobicContact CE2-CD2 4.1Å; Y135-F191 HydrophobicContact CE2-CE2 4.19Å; Y135-F191 HydrophobicContact CG-CD2 4.41Å; Y135-F191 AromaticContact CZ-CD2 3.48Å; Y135-F191 VanDerWaalsContact CZ-CD2 3.48Å; Y135-F191 AromaticContact CZ-CE2 3.67Å
136I94.5Very high91Very high4 Ų432.5 Ų32.52%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-119.8114.3172.8-55.3-179.4000107.4V134 W141 I160 F181 Q189 L190 L214V134-I136 HydrophobicContact CG1-CG1 4.36Å; I136-W141 HydrophobicContact CG2-CD2 3.55Å; I136-W141 HydrophobicContact CG2-CE3 4.17Å; I136-W141 HydrophobicContact CG2-CG 3.83Å; I136-W141 HydrophobicContact CG2-CH2 4.34Å; I136-W141 HydrophobicContact CG2-CZ2 3.77Å; I136-I160 HydrophobicContact CD1-CB 4.46Å; I136-I160 HydrophobicContact CD1-CD1 4.05Å; I136-I160 HydrophobicContact CD1-CG2 3.68Å; I136-I160 HydrophobicContact CG2-CD1 4.17Å; I136-F181 HydrophobicContact CD1-CD1 3.97Å; I136-F181 HydrophobicContact CD1-CE1 3.54Å; I136-F181 HydrophobicContact CD1-CE2 4.16Å; I136-F181 HydrophobicContact CD1-CG 4.46Å; I136-F181 HydrophobicContact CD1-CZ 3.66Å; I136-F181 HydrophobicContact CG1-CD1 4.36Å; I136-F181 HydrophobicContact CG1-CE1 3.84Å; I136-F181 HydrophobicContact CG1-CZ 4.31Å; I136-Q189 WeakPolarHBondContact O-CA 3.48Å; I136-Q189 VanDerWaalsContact O-CG 3.27Å; I136-Q189 WeakPolarHBondContact O-CG 3.49Å; I136-L190 HydrophobicContact CB-CB 4.09Å; I136-L190 HydrophobicContact CB-CD1 4.45Å; I136-L190 HydrophobicContact CD1-CD1 4.45Å; I136-L190 PolarHBondContact N-O 3.32Å; I136-L190 PolarHBondContact O-N 2.89Å; I136-L214 HydrophobicContact CD1-CD1 4.02Å; I136-L214 HydrophobicContact CD1-CD2 4.37Å
137S92.5Very high90.2Very high30 Ų3033 Ų3321%0.2117%0.169CC..EExtended strand (participates in β ladder)trans-138.7168.3-174.847.60000110.4S108 W141S108-S137 WeakPolarHBondContact CA-O 3.29Å; S108-S137 WeakPolarHBondContact CB-O 3.32Å; S108-S137 PolarHBondContact N-O 3.48Å; S108-S137 PolarHBondContact O-N 3.13Å; S108-S137 VanDerWaalsContact O-N 3.09Å; S108-S137 VanDerWaalsContact O-O 3.1Å; S137-W141 PolarHBondContact O-NE1 2.98Å
138G90.4Very high89.2Confident36 Ų3630 Ų3037%0.37116%0.157SC..  trans108.9140.1-178.900000111.8D106 G140 W141D106-G138 CarbonylContact O-C 3.55Å; D106-G138 VanDerWaalsContact O-C 3.26Å; D106-G138 VanDerWaalsContact O-CA 3.28Å; D106-G138 WeakPolarHBondContact O-CA 3.5Å; G138-G140 PolarHBondContact O-N 3.07Å; G138-W141 PolarHBondContact O-N 2.81Å
139H87.1Confident88.2Confident94 Ų9433.1 Ų33.144%0.43517%0.171SC..Hα-helixtrans-66.9-25.9-174.5-179.9-95.1000112.3H104 D106 W141 R142 V143H104-H139 VanDerWaalsContact O-CB 3.28Å; H104-H139 WeakPolarHBondContact O-CB 3.4Å; H104-H139 PolarHBondContact O-ND1 3.5Å; D106-H139 PolarHBondContact O-N 3.38Å; H139-W141 PolarHBondContact O-N 3.48Å; H139-R142 WeakPolarHBondContact O-CB 3.1Å; H139-R142 PolarHBondContact O-N 3.03Å; H139-V143 WeakPolarHBondContact CE1-CG2 3.32Å; H139-V143 WeakPolarHBondContact ND1-CG2 3.27Å; H139-V143 PolarHBondContact O-N 3.38Å; H139-V143 VanDerWaalsContact O-N 3.13Å
140G87.9Confident87.2Confident2 Ų236.4 Ų36.42%0.02120%0.199CC..Hα-helixtrans-62.7-26.2178.400000114.7A105 D106 Q107 G138 R142 V143 M144A105-G140 WeakPolarHBondContact O-CA 3.49Å; D106-G140 PolarHBondContact O-N 3.27Å; Q107-G140 VanDerWaalsContact CG-C 3.47Å; Q107-G140 PolarHBondContact NE2-O 3.08Å; Q107-G140 VanDerWaalsContact NE2-O 3.16Å; G138-G140 PolarHBondContact O-N 3.07Å; G140-R142 VanDerWaalsContact C-N 3.31Å; G140-R142 PolarHBondContact O-N 3.49Å; G140-V143 PolarHBondContact O-N 3.13Å; G140-M144 WeakPolarHBondContact O-CB 2.86Å; G140-M144 PolarHBondContact O-N 3.42Å
141W87.8Confident85.9Confident20 Ų2038.9 Ų38.98%0.07622%0.224CC..Hα-helixtrans-64.8-38.8173.4-69103.3000111.6Q107 S108 V109 I136 S137 G138 H139 M144 Q145 I160 L214 V222 F409Q107-W141 HydrophobicContact CB-CD2 4.19Å; Q107-W141 HydrophobicContact CB-CG 4.35Å; Q107-W141 HydrophobicContact CB-CZ2 4Å; Q107-W141 HydrophobicContact CG-CD2 3.95Å; Q107-W141 HydrophobicContact CG-CG 3.94Å; S108-W141 PolarHBondContact O-NE1 3.01Å; V109-W141 HydrophobicContact CG2-CH2 4.2Å; V109-W141 HydrophobicContact CG2-CZ2 3.58Å; I136-W141 HydrophobicContact CG2-CD2 3.55Å; I136-W141 HydrophobicContact CG2-CE3 4.17Å; I136-W141 HydrophobicContact CG2-CG 3.83Å; I136-W141 HydrophobicContact CG2-CH2 4.34Å; I136-W141 HydrophobicContact CG2-CZ2 3.77Å; S137-W141 PolarHBondContact O-NE1 2.98Å; G138-W141 PolarHBondContact O-N 2.81Å; H139-W141 PolarHBondContact O-N 3.48Å; W141-M144 HydrophobicContact CE3-CE 3.52Å; W141-M144 HydrophobicContact CZ3-CE 3.79Å; W141-Q145 WeakPolarHBondContact O-CB 3.49Å; W141-Q145 PolarHBondContact O-N 3.45Å; W141-I160 HydrophobicContact CD2-CD1 4.28Å; W141-I160 HydrophobicContact CE3-CD1 3.48Å; W141-I160 VanDerWaalsContact CE3-CD1 3.48Å; W141-I160 HydrophobicContact CZ3-CD1 3.62Å; W141-L214 HydrophobicContact CH2-CD1 4.39Å; W141-V222 HydrophobicContact CH2-CG1 3.8Å; W141-V222 HydrophobicContact CZ3-CG1 4.04Å; W141-F409 AromaticContact CH2-CZ 3.86Å; W141-F409 HydrophobicContact CH2-CZ 3.86Å; W141-F409 HydrophobicContact CZ2-CE1 4.25Å; W141-F409 AromaticContact CZ2-CZ 3.68Å; W141-F409 HydrophobicContact CZ2-CZ 3.68Å
142R83.6Confident84.3Confident73 Ų7342 Ų4228%0.27526%0.258SS..Hα-helixtrans-71.7-42.7177.3-171.3179.9-56.712521.2111.4H139 G140 M144 Q145 D146 R188H139-R142 WeakPolarHBondContact O-CB 3.1Å; H139-R142 PolarHBondContact O-N 3.03Å; G140-R142 VanDerWaalsContact C-N 3.31Å; G140-R142 PolarHBondContact O-N 3.49Å; R142-M144 VanDerWaalsContact C-N 3.28Å; R142-M144 PolarHBondContact O-N 3.34Å; R142-Q145 CarbonylContact O-C 3.47Å; R142-Q145 WeakPolarHBondContact O-CA 3.43Å; R142-Q145 WeakPolarHBondContact O-CB 3.28Å; R142-Q145 PolarHBondContact O-N 2.77Å; R142-D146 WeakPolarHBondContact CG-OD2 3.43Å; R142-D146 PolarHBondContact O-N 3.21Å; R142-R188 VanDerWaalsContact NH1-NH1 3.17Å
143V83.5Confident82.7Confident46 Ų4648.8 Ų48.828%0.27928%0.284SS..Hα-helixtrans-57.1-45.8175.9175.90000110.5H139 G140 Q145 D146 H147 L413H139-V143 WeakPolarHBondContact CE1-CG2 3.32Å; H139-V143 WeakPolarHBondContact ND1-CG2 3.27Å; H139-V143 PolarHBondContact O-N 3.38Å; H139-V143 VanDerWaalsContact O-N 3.13Å; G140-V143 PolarHBondContact O-N 3.13Å; V143-Q145 PolarHBondContact O-N 2.62Å; V143-D146 PolarHBondContact O-N 2.86Å; V143-H147 WeakPolarHBondContact O-CB 3.37Å; V143-H147 PolarHBondContact O-N 3.35Å; V143-L413 HydrophobicContact CG1-CD2 4.4Å
144M82.2Confident81.2Confident9 Ų950.9 Ų50.94%0.04431%0.306CS..Hα-helixtrans-60-45.6174.1-177.3-179.169.100111.5G140 W141 R142 H147 L148 L216 I416G140-M144 WeakPolarHBondContact O-CB 2.86Å; G140-M144 PolarHBondContact O-N 3.42Å; W141-M144 HydrophobicContact CE3-CE 3.52Å; W141-M144 HydrophobicContact CZ3-CE 3.79Å; R142-M144 VanDerWaalsContact C-N 3.28Å; R142-M144 PolarHBondContact O-N 3.34Å; M144-H147 PolarHBondContact O-N 2.87Å; M144-L148 HydrophobicContact CG-CD1 4.15Å; M144-L148 VanDerWaalsContact O-CG 3.31Å; M144-L148 WeakPolarHBondContact O-CG 3.14Å; M144-L148 PolarHBondContact O-N 2.97Å; M144-L148 VanDerWaalsContact O-N 3.08Å; M144-L216 HydrophobicContact CE-CD2 3.96Å; M144-I416 HydrophobicContact CG-CD1 3.92Å; M144-I416 HydrophobicContact CG-CG1 4.3Å
145Q79.6Confident79.6Confident66 Ų6656.4 Ų56.431%0.30834%0.335SS..Hα-helixtrans-61.5-47.3179.8-159.5-168.3-7.600112.4W141 R142 V143 L148 K149 Y158W141-Q145 WeakPolarHBondContact O-CB 3.49Å; W141-Q145 PolarHBondContact O-N 3.45Å; R142-Q145 CarbonylContact O-C 3.47Å; R142-Q145 WeakPolarHBondContact O-CA 3.43Å; R142-Q145 WeakPolarHBondContact O-CB 3.28Å; R142-Q145 PolarHBondContact O-N 2.77Å; V143-Q145 PolarHBondContact O-N 2.62Å; Q145-L148 PolarHBondContact O-N 2.86Å; Q145-K149 WeakPolarHBondContact O-CG 3.04Å; Q145-K149 PolarHBondContact O-N 2.73Å; Q145-Y158 HydrophobicContact CG-CD2 3.25Å; Q145-Y158 HydrophobicContact CG-CE2 3.64Å; Q145-Y158 HydrophobicContact CG-CG 3.82Å
146D80.1Confident78.1Confident72 Ų7259.9 Ų59.939%0.38536%0.363SS..Hα-helixtrans-70.3-33.9-177.6-68.8-22.1000111.7R142 V143 K149 A150R142-D146 WeakPolarHBondContact CG-OD2 3.43Å; R142-D146 PolarHBondContact O-N 3.21Å; V143-D146 PolarHBondContact O-N 2.86Å; D146-K149 WeakPolarHBondContact O-CB 3.38Å; D146-K149 PolarHBondContact O-N 3.06Å; D146-K149 IonicContact OD1-NZ 2.64Å; D146-K149 PolarHBondContact OD1-NZ 3.04Å; D146-A150 PolarHBondContact O-N 2.7Å
147H77.4Confident76.7Confident89 Ų8961 Ų6141%0.41237%0.37SS..Hα-helixtrans-64.3-44.1172.1-175.171.6000112.2V143 M144 K149 A150 G151 L413V143-H147 WeakPolarHBondContact O-CB 3.37Å; V143-H147 PolarHBondContact O-N 3.35Å; M144-H147 PolarHBondContact O-N 2.87Å; H147-K149 VanDerWaalsContact C-N 3.32Å; H147-K149 PolarHBondContact O-N 3.04Å; H147-A150 PolarHBondContact O-N 2.62Å; H147-G151 PolarHBondContact O-N 3.29Å; H147-G151 VanDerWaalsContact O-N 3.13Å; H147-L413 HydrophobicContact CB-CD2 3.67Å
148L74.9Confident75.6Confident23 Ų2360.8 Ų60.812%0.1237%0.365CS..Hα-helixtrans-65.1-35.9177-69.2171.2000112M144 Q145 G151 Y158 L216M144-L148 HydrophobicContact CG-CD1 4.15Å; M144-L148 VanDerWaalsContact O-CG 3.31Å; M144-L148 WeakPolarHBondContact O-CG 3.14Å; M144-L148 PolarHBondContact O-N 2.97Å; M144-L148 VanDerWaalsContact O-N 3.08Å; Q145-L148 PolarHBondContact O-N 2.86Å; L148-G151 PolarHBondContact O-N 2.89Å; L148-Y158 HydrophobicContact CB-CD1 4.43Å; L148-L216 HydrophobicContact CD1-CD1 4.34Å
149K74.6Confident75.2Confident82 Ų8266.9 Ų66.936%0.35738%0.377SS..Hα-helixtrans-61.5-45.5171.1-72.4176.1-152.2165.40111.9Q145 D146 H147 G151 G152 Y158Q145-K149 WeakPolarHBondContact O-CG 3.04Å; Q145-K149 PolarHBondContact O-N 2.73Å; D146-K149 WeakPolarHBondContact O-CB 3.38Å; D146-K149 PolarHBondContact O-N 3.06Å; D146-K149 IonicContact OD1-NZ 2.64Å; D146-K149 PolarHBondContact OD1-NZ 3.04Å; H147-K149 VanDerWaalsContact C-N 3.32Å; H147-K149 PolarHBondContact O-N 3.04Å; K149-G151 PolarHBondContact O-N 2.95Å; K149-G152 PolarHBondContact O-N 3.09Å; K149-G152 VanDerWaalsContact O-N 3.1Å; K149-Y158 HydrophobicContact CB-CE1 4.44Å; K149-Y158 HydrophobicContact CD-CE1 4.24Å; K149-Y158 WeakPolarHBondContact CD-OH 3.35Å; K149-Y158 WeakPolarHBondContact CE-OH 3.35Å; K149-Y158 HydrophobicContact CG-CD1 4.12Å; K149-Y158 HydrophobicContact CG-CE1 3.29Å; K149-Y158 HydrophobicContact CG-CE2 4.39Å; K149-Y158 VanDerWaalsContact CG-CZ 3.4Å; K149-Y158 VanDerWaalsContact CG-OH 3.26Å; K149-Y158 WeakPolarHBondContact CG-OH 3.22Å
150A73.8Confident75.2Confident87 Ų8763.2 Ų63.272%0.71936%0.36SS*.Hα-helixtrans-63.2-26.5179.300000112.7D146 H147 G152D146-A150 PolarHBondContact O-N 2.7Å; H147-A150 PolarHBondContact O-N 2.62Å; A150-G152 PolarHBondContact O-N 3.43Å
151G70.4Confident75.3Confident52 Ų5264.6 Ų64.654%0.53637%0.369SS..THydrogen-bonded Turntrans-72.32.9173.500000115.5H147 L148 K149H147-G151 PolarHBondContact O-N 3.29Å; H147-G151 VanDerWaalsContact O-N 3.13Å; L148-G151 PolarHBondContact O-N 2.89Å; K149-G151 PolarHBondContact O-N 2.95Å
152G65Low75.5Confident72 Ų7263.6 Ų63.674%0.74237%0.365SS*.THydrogen-bonded Turntrans81.69.7178.100000114.8K149 A150K149-G152 PolarHBondContact O-N 3.09Å; K149-G152 VanDerWaalsContact O-N 3.1Å; A150-G152 PolarHBondContact O-N 3.43Å
153Y63.2Low76Confident144 Ų14463.3 Ų63.357%0.56537%0.365SS*.  trans-81.8130.8175.8-64.8-82.6000110.6V157Y153-V157 HydrophobicContact CD1-CG1 4.12Å; Y153-V157 HydrophobicContact CD1-CG2 4.42Å; Y153-V157 HydrophobicContact CG-CG1 4.15Å
154G63.6Low76.5Confident44 Ų4461.1 Ų61.145%0.45435%0.352SS..  trans-62.3163.7-179.600000113.9S156 V157G154-S156 PolarHBondContact O-N 2.83Å; G154-V157 WeakPolarHBondContact O-CB 3.1Å; G154-V157 PolarHBondContact O-N 3.05Å
155D64.3Low77Confident116 Ų11661.3 Ų61.362%0.6235%0.353SS*.G310 helixtrans-55.3-28.2-175.1-164.215000114.2V157 Y158D155-V157 VanDerWaalsContact C-N 3.27Å; D155-V157 PolarHBondContact O-N 3.44Å; D155-Y158 VanDerWaalsContact CA-CZ 3.46Å; D155-Y158 WeakPolarHBondContact CA-OH 3.44Å; D155-Y158 WeakPolarHBondContact OD1-CE2 3.46Å; D155-Y158 PolarHBondContact OD1-OH 3.31Å
156S63.7Low77.6Confident97 Ų9759 Ų5968%0.67834%0.343SS*.G310 helixtrans-69.6-17.6177.257.50000114.8G154 G217G154-S156 PolarHBondContact O-N 2.83Å; S156-G217 WeakPolarHBondContact O-CA 3.41Å
157V65.1Low77.9Confident28 Ų2857.9 Ų57.917%0.1734%0.337CS..G310 helixtrans-79.8-30.4-171.6170.90000112.9Y153 G154 D155 G217 N218Y153-V157 HydrophobicContact CD1-CG1 4.12Å; Y153-V157 HydrophobicContact CD1-CG2 4.42Å; Y153-V157 HydrophobicContact CG-CG1 4.15Å; G154-V157 WeakPolarHBondContact O-CB 3.1Å; G154-V157 PolarHBondContact O-N 3.05Å; D155-V157 VanDerWaalsContact C-N 3.27Å; D155-V157 PolarHBondContact O-N 3.44Å; V157-G217 CarbonylContact O-C 3.26Å; V157-G217 WeakPolarHBondContact O-CA 3.3Å; V157-G217 PolarHBondContact O-N 3.25Å; V157-N218 HydrophobicContact CG1-CB 4.04Å; V157-N218 PolarHBondContact O-N 3.37Å; V157-N218 VanDerWaalsContact O-N 3.13Å
158Y69.5Low77.6Confident25 Ų2555.2 Ų55.210%0.09833%0.329CS..SBendtrans-109.16.7-175.751.3-100.4000113.8Q145 L148 K149 D155 I160Q145-Y158 HydrophobicContact CG-CD2 3.25Å; Q145-Y158 HydrophobicContact CG-CE2 3.64Å; Q145-Y158 HydrophobicContact CG-CG 3.82Å; L148-Y158 HydrophobicContact CB-CD1 4.43Å; K149-Y158 HydrophobicContact CB-CE1 4.44Å; K149-Y158 HydrophobicContact CD-CE1 4.24Å; K149-Y158 WeakPolarHBondContact CD-OH 3.35Å; K149-Y158 WeakPolarHBondContact CE-OH 3.35Å; K149-Y158 HydrophobicContact CG-CD1 4.12Å; K149-Y158 HydrophobicContact CG-CE1 3.29Å; K149-Y158 HydrophobicContact CG-CE2 4.39Å; K149-Y158 VanDerWaalsContact CG-CZ 3.4Å; K149-Y158 VanDerWaalsContact CG-OH 3.26Å; K149-Y158 WeakPolarHBondContact CG-OH 3.22Å; D155-Y158 VanDerWaalsContact CA-CZ 3.46Å; D155-Y158 WeakPolarHBondContact CA-OH 3.44Å; D155-Y158 WeakPolarHBondContact OD1-CE2 3.46Å; D155-Y158 PolarHBondContact OD1-OH 3.31Å; Y158-I160 PolarHBondContact O-N 3.16Å
159R81.9Confident76.3Confident163 Ų16360.7 Ų60.762%0.61537%0.369SS*.  trans-64.8122173-172.3175.8-1781773.6109.7C161 G217R159-C161 PolarHBondContact O-N 3Å; R159-G217 PolarHBondContact O-N 3.01Å; R159-G217 VanDerWaalsContact O-N 3.1Å
160I87.4Confident75.2Confident17 Ų1761.7 Ų61.79%0.08739%0.386CS..  trans-72130.1176.7-59.7174.6000109.2I136 W141 Y158 F181 L190 L214 L216I136-I160 HydrophobicContact CD1-CB 4.46Å; I136-I160 HydrophobicContact CD1-CD1 4.05Å; I136-I160 HydrophobicContact CD1-CG2 3.68Å; I136-I160 HydrophobicContact CG2-CD1 4.17Å; W141-I160 HydrophobicContact CD2-CD1 4.28Å; W141-I160 HydrophobicContact CE3-CD1 3.48Å; W141-I160 VanDerWaalsContact CE3-CD1 3.48Å; W141-I160 HydrophobicContact CZ3-CD1 3.62Å; Y158-I160 PolarHBondContact O-N 3.16Å; I160-F181 HydrophobicContact CG2-CD2 4.15Å; I160-F181 HydrophobicContact CG2-CE2 4.09Å; I160-L190 HydrophobicContact CB-CD1 4.39Å; I160-L190 HydrophobicContact CD1-CD1 3.96Å; I160-L214 HydrophobicContact CG2-CD2 4.25Å; I160-L216 HydrophobicContact CG1-CD2 4.37Å
161C89.9Confident74.3Confident31 Ų3161 Ų6121%0.20937%0.368CS..EExtended strand (participates in β ladder)trans-122.6147168.566.10000109.7R159 L214 F215R159-C161 PolarHBondContact O-N 3Å; C161-L214 WeakPolarHBondContact O-CA 3.44Å; C161-F215 PolarHBondContact N-O 3.22Å; C161-F215 PolarHBondContact O-N 3.09Å; C161-F215 PolarHBondContact SG-O 3.11Å; C161-F215 VanDerWaalsContact SG-O 3.41Å
162G92.5Very high73.4Confident0 Ų062.4 Ų62.40%037%0.37CS..EExtended strand (participates in β ladder)trans-131.1150.2-176.700000111.7L179 R213G162-L179 PolarHBondContact O-N 3.04Å; G162-R213 CarbonylContact C-O 3.54Å; G162-R213 VanDerWaalsContact CA-O 3.31Å; G162-R213 WeakPolarHBondContact CA-O 3.38Å
163Y93.6Very high72.7Confident67 Ų6766.3 Ų66.326%0.26337%0.369SS..EExtended strand (participates in β ladder)trans-128.7128.5172.9-65.9-90.9000108.3A176 F177 K178 L212 R213 F215Y163-A176 HydrophobicContact CD1-CB 4.2Å; Y163-F177 WeakPolarHBondContact CA-O 3.3Å; Y163-K178 HydrophobicContact CD1-CB 4.25Å; Y163-K178 HydrophobicContact CE1-CB 4.07Å; Y163-K178 HydrophobicContact CE1-CD 4.44Å; Y163-K178 HydrophobicContact CE1-CG 4.06Å; Y163-L212 CarbonylContact O-C 3.53Å; Y163-L212 WeakPolarHBondContact O-CA 3.04Å; Y163-R213 PolarHBondContact N-O 2.79Å; Y163-R213 PolarHBondContact O-N 3.02Å; Y163-F215 AromaticContact CD2-CD2 3.84Å; Y163-F215 HydrophobicContact CD2-CD2 3.84Å; Y163-F215 AromaticContact CD2-CE2 3.89Å; Y163-F215 HydrophobicContact CD2-CE2 3.89Å; Y163-F215 HydrophobicContact CE2-CD2 4.12Å; Y163-F215 HydrophobicContact CE2-CE2 4.4Å
164M94.6Very high72.2Confident0 Ų063.6 Ų63.60%038%0.376CS..EExtended strand (participates in β ladder)trans-118.3129177.9-172.2174.6-79.400110.2I111 P132 V134 F177 L179 A194 L197 L210 L211 L212I111-M164 HydrophobicContact CG2-CE 4.32Å; P132-M164 HydrophobicContact CB-SD 3.78Å; V134-M164 HydrophobicContact CG2-CE 3.39Å; M164-F177 PolarHBondContact N-O 3.19Å; M164-F177 WeakPolarHBondContact O-CB 3.4Å; M164-F177 PolarHBondContact O-N 3.49Å; M164-L179 HydrophobicContact CB-CD1 4.2Å; M164-L179 HydrophobicContact CB-CG 4.4Å; M164-L179 HydrophobicContact CE-CD1 4.32Å; M164-A194 HydrophobicContact SD-CB 3.88Å; M164-L197 HydrophobicContact CB-CD1 4.45Å; M164-L197 HydrophobicContact CG-CD1 3.84Å; M164-L197 HydrophobicContact SD-CD1 3.7Å; M164-L210 HydrophobicContact CG-CB 4.44Å; M164-L210 HydrophobicContact SD-CB 4.48Å; M164-L210 HydrophobicContact SD-CD1 4.14Å; M164-L211 WeakPolarHBondContact CA-O 3.25Å; M164-L212 HydrophobicContact CE-CB 4.31Å; M164-L212 HydrophobicContact CE-CD1 4.35Å
165C92.6Very high72.3Confident12 Ų1266.1 Ų66.18%0.08138%0.379CS..EExtended strand (participates in β ladder)trans-138.4173.7176.469.80000111.3A176 L210 L211C165-A176 HydrophobicContact CB-CB 4.3Å; C165-L210 WeakPolarHBondContact O-CA 3.43Å; C165-L211 PolarHBondContact N-O 2.92Å; C165-L211 PolarHBondContact O-N 3Å
166L92.4Very high73.1Confident18 Ų1862.1 Ų62.19%0.09436%0.362CS..EExtended strand (participates in β ladder)trans-76.2146.2166.5-58.3164.2000108.2F128 S168 I199 F208 L210F128-L166 HydrophobicContact CE2-CD2 4.08Å; F128-L166 HydrophobicContact CZ-CD2 4.01Å; L166-S168 PolarHBondContact O-N 3.21Å; L166-I199 HydrophobicContact CD1-CB 4.38Å; L166-I199 HydrophobicContact CD1-CG1 4.38Å; L166-F208 HydrophobicContact CD2-CD2 3.26Å; L166-F208 HydrophobicContact CD2-CE1 4.48Å; L166-F208 HydrophobicContact CD2-CE2 3.13Å; L166-F208 HydrophobicContact CD2-CG 4.03Å; L166-F208 HydrophobicContact CD2-CZ 3.8Å; L166-L210 HydrophobicContact CD2-CD2 4.24Å
167D84.8Confident74.2Confident48 Ų4860.1 Ų60.126%0.25734%0.341SS..  trans-72.958.9175.465.5-15000112.7R205 F208 C209 Q226D167-R205 PolarHBondContact O-NH1 2.84Å; D167-R205 IonicContact OD1-CZ 3.7Å; D167-R205 IonicContact OD1-NH1 3.14Å; D167-R205 PolarHBondContact OD1-NH1 3.03Å; D167-F208 WeakPolarHBondContact OD1-CB 3.2Å; D167-C209 WeakPolarHBondContact CB-O 3.42Å; D167-C209 VanDerWaalsContact CG-O 3.24Å; D167-C209 PolarHBondContact N-O 2.91Å; D167-C209 PolarHBondContact OD1-N 3.34Å; D167-C209 VanDerWaalsContact OD1-O 3.1Å; D167-C209 VanDerWaalsContact OD2-CB 3.31Å; D167-C209 WeakPolarHBondContact OD2-CB 3.36Å; D167-C209 PolarHBondContact OD2-N 2.93Å; D167-Q226 PolarHBondContact OD2-NE2 3.26Å
168S71.4Confident75.5Confident34 Ų3464.2 Ų64.224%0.23836%0.357CS..  trans-91.2145.2175.575.40000111.7L166 S170 Q171L166-S168 PolarHBondContact O-N 3.21Å; S168-S170 PolarHBondContact O-N 3.34Å; S168-Q171 WeakPolarHBondContact OG-CG 3.41Å; S168-Q171 PolarHBondContact OG-OE1 3.08Å
169S48.5Very low76.5Confident137 Ų13763.1 Ų63.196%0.95835%0.353SS*.THydrogen-bonded Turntrans-73.2-6.1-179.349.70000114.6
170S51.4Low76.9Confident104 Ų10460.7 Ų60.773%0.72735%0.351SS*.THydrogen-bonded Turntrans-128.822.4-168.361.80000115.3S168S168-S170 PolarHBondContact O-N 3.34Å
171Q54.6Low77Confident71 Ų7160.6 Ų60.633%0.33235%0.35SS..  trans-101.5120.2-175.1-87.8176-19.700114.9S168 D175S168-Q171 WeakPolarHBondContact OG-CG 3.41Å; S168-Q171 PolarHBondContact OG-OE1 3.08Å; Q171-D175 HydrophobicContact CB-CB 4.43Å; Q171-D175 HydrophobicContact CG-CB 3.88Å; Q171-D175 VanDerWaalsContact CG-OD2 3.31Å; Q171-D175 WeakPolarHBondContact CG-OD2 3.41Å; Q171-D175 PolarHBondContact NE2-OD2 2.87Å
172S50.7Low77Confident83 Ų8362.5 Ų62.558%0.5836%0.359SS*.  trans-63.9158.1160.356.20000110.3A174 D175S172-A174 PolarHBondContact O-N 2.99Å; S172-D175 PolarHBondContact O-N 2.76Å
173Q52.1Low76.7Confident154 Ų15469 Ų6972%0.7239%0.389SS*.G310 helixtrans-56.4-10.7179.5-69.9-153.98.900114.8D175 A176Q173-D175 VanDerWaalsContact C-N 3.3Å; Q173-D175 PolarHBondContact O-N 3.02Å; Q173-A176 PolarHBondContact O-N 3.16Å
174A52.2Low76.2Confident86 Ų8667.2 Ų67.271%0.71138%0.383SS*.G310 helixtrans-66.9-25.1-179.600000114.1S172S172-A174 PolarHBondContact O-N 2.99Å
175D65.8Low74.9Confident97 Ų9772.6 Ų72.652%0.51942%0.418SS..G310 helixtrans-93.82.1-177.7-77-11.2000113.7Q171 S172 Q173Q171-D175 HydrophobicContact CB-CB 4.43Å; Q171-D175 HydrophobicContact CG-CB 3.88Å; Q171-D175 VanDerWaalsContact CG-OD2 3.31Å; Q171-D175 WeakPolarHBondContact CG-OD2 3.41Å; Q171-D175 PolarHBondContact NE2-OD2 2.87Å; S172-D175 PolarHBondContact O-N 2.76Å; Q173-D175 VanDerWaalsContact C-N 3.3Å; Q173-D175 PolarHBondContact O-N 3.02Å
176A79.5Confident73.6Confident32 Ų3277 Ų7726%0.26444%0.44SS..PPolyproline II helixtrans-84.8128.5-179.500000111.9Y163 C165 Q173 K178Y163-A176 HydrophobicContact CD1-CB 4.2Å; C165-A176 HydrophobicContact CB-CB 4.3Å; Q173-A176 PolarHBondContact O-N 3.16Å; A176-K178 PolarHBondContact O-N 2.91Å
177F87.3Confident72.3Confident56 Ų5679.2 Ų79.225%0.24646%0.458CS..EExtended strand (participates in β ladder)trans-78.8117.6174.4-175-95.2000110.2Y163 M164 L179 A194 S196 L197Y163-F177 WeakPolarHBondContact CA-O 3.3Å; M164-F177 PolarHBondContact N-O 3.19Å; M164-F177 WeakPolarHBondContact O-CB 3.4Å; M164-F177 PolarHBondContact O-N 3.49Å; F177-L179 HydrophobicContact CD1-CD2 3.97Å; F177-L179 HydrophobicContact CE1-CD2 4.08Å; F177-L179 PolarHBondContact O-N 3.31Å; F177-A194 HydrophobicContact CD1-CB 3.74Å; F177-A194 HydrophobicContact CE1-CB 4.12Å; F177-A194 HydrophobicContact CG-CB 4.46Å; F177-S196 WeakPolarHBondContact CD2-OG 3.37Å; F177-S196 WeakPolarHBondContact CE2-OG 3.21Å; F177-L197 HydrophobicContact CB-CD2 3.73Å; F177-L197 HydrophobicContact CB-CG 4.27Å
178K92.1Very high71.9Confident113 Ų11385.1 Ų85.149%0.49148%0.476SS..EExtended strand (participates in β ladder)trans-71.8123176-172.7178.3-178.8179.90110.4Y163 A176Y163-K178 HydrophobicContact CD1-CB 4.25Å; Y163-K178 HydrophobicContact CE1-CB 4.07Å; Y163-K178 HydrophobicContact CE1-CD 4.44Å; Y163-K178 HydrophobicContact CE1-CG 4.06Å; A176-K178 PolarHBondContact O-N 2.91Å
179L92.3Very high72.7Confident3 Ų384.8 Ų84.82%0.01647%0.471CS..EExtended strand (participates in β ladder)trans-86.6129.8172.7-66.6175.1000110.1V134 G162 M164 F177 F181 A192 A194 L212V134-L179 HydrophobicContact CB-CD1 4.35Å; V134-L179 HydrophobicContact CG2-CD1 3.72Å; G162-L179 PolarHBondContact O-N 3.04Å; M164-L179 HydrophobicContact CB-CD1 4.2Å; M164-L179 HydrophobicContact CB-CG 4.4Å; M164-L179 HydrophobicContact CE-CD1 4.32Å; F177-L179 HydrophobicContact CD1-CD2 3.97Å; F177-L179 HydrophobicContact CE1-CD2 4.08Å; F177-L179 PolarHBondContact O-N 3.31Å; L179-F181 HydrophobicContact CB-CE2 4.08Å; L179-F181 HydrophobicContact CB-CZ 4.32Å; L179-F181 HydrophobicContact CD1-CZ 4.2Å; L179-A192 HydrophobicContact CB-CB 3.84Å; L179-A192 HydrophobicContact CD1-CB 4.49Å; L179-A192 HydrophobicContact CD2-CB 4.02Å; L179-A192 HydrophobicContact CG-CB 4.34Å; L179-A194 HydrophobicContact CD2-CB 4.04Å; L179-L212 HydrophobicContact CD1-CD1 3.51Å
180L89.1Confident74.7Confident112 Ų11280.2 Ų80.259%0.58644%0.435SS*.  trans-102.2114.3169.8-60.8177.5000107.5A192L180-A192 VanDerWaalsContact O-CB 3.28Å; L180-A192 WeakPolarHBondContact O-CB 3.45Å
181F90.7Very high76.7Confident14 Ų1475.4 Ų75.46%0.06140%0.401CS..PPolyproline II helixtrans-86120179.3-74.9-76.3000110.2V134 I136 I160 L179 L190 F191 A192 L214V134-F181 HydrophobicContact CB-CE1 4.05Å; V134-F181 HydrophobicContact CB-CZ 4.3Å; V134-F181 HydrophobicContact CG1-CE1 3.84Å; V134-F181 HydrophobicContact CG1-CZ 3.97Å; I136-F181 HydrophobicContact CD1-CD1 3.97Å; I136-F181 HydrophobicContact CD1-CE1 3.54Å; I136-F181 HydrophobicContact CD1-CE2 4.16Å; I136-F181 HydrophobicContact CD1-CG 4.46Å; I136-F181 HydrophobicContact CD1-CZ 3.66Å; I136-F181 HydrophobicContact CG1-CD1 4.36Å; I136-F181 HydrophobicContact CG1-CE1 3.84Å; I136-F181 HydrophobicContact CG1-CZ 4.31Å; I160-F181 HydrophobicContact CG2-CD2 4.15Å; I160-F181 HydrophobicContact CG2-CE2 4.09Å; L179-F181 HydrophobicContact CB-CE2 4.08Å; L179-F181 HydrophobicContact CB-CZ 4.32Å; L179-F181 HydrophobicContact CD1-CZ 4.2Å; F181-L190 HydrophobicContact CB-CB 4.13Å; F181-L190 HydrophobicContact CB-CD1 4.39Å; F181-L190 HydrophobicContact CD1-CB 3.92Å; F181-L190 HydrophobicContact CG-CB 4.37Å; F181-F191 WeakPolarHBondContact CA-O 3.47Å; F181-A192 HydrophobicContact CD1-CB 3.6Å; F181-A192 HydrophobicContact CE1-CB 3.63Å; F181-A192 HydrophobicContact CG-CB 4.08Å; F181-A192 HydrophobicContact CZ-CB 4.14Å; F181-L214 HydrophobicContact CE2-CD2 3.9Å; F181-L214 HydrophobicContact CZ-CD2 3.82Å
182D89.1Confident78.6Confident72 Ų7272.1 Ų72.139%0.38539%0.387SS..EExtended strand (participates in β ladder)trans-103.8131.3173.7-64.2-27.8000109.1Q184 F191 R284D182-Q184 PolarHBondContact O-N 2.89Å; D182-Q184 PolarHBondContact O-NE2 3.33Å; D182-F191 PolarHBondContact N-O 2.94Å; D182-F191 PolarHBondContact O-N 2.8Å; D182-R284 IonicContact OD2-NH2 2.96Å; D182-R284 PolarHBondContact OD2-NH2 3.13Å
183E86.1Confident80.7Confident137 Ų13769.3 Ų69.364%0.6437%0.367SS*.EExtended strand (participates in β ladder)trans-70.6129.6173.1-169.2171-172.900110.3L190E183-L190 HydrophobicContact CB-CD2 3.95Å; E183-L190 HydrophobicContact CG-CD2 4.28Å
184Q82.4Confident82.7Confident28 Ų2862 Ų6213%0.13133%0.332CS..PPolyproline II helixtrans-79.3128.7179.6-65.6-52.6-70.800110.2D182 N186 S187 Q189 F191D182-Q184 PolarHBondContact O-N 2.89Å; D182-Q184 PolarHBondContact O-NE2 3.33Å; Q184-N186 PolarHBondContact O-N 2.78Å; Q184-S187 VanDerWaalsContact CB-OG 3.23Å; Q184-S187 WeakPolarHBondContact CB-OG 3.38Å; Q184-Q189 WeakPolarHBondContact CB-O 3.33Å; Q184-Q189 WeakPolarHBondContact CG-O 3.36Å; Q184-Q189 PolarHBondContact N-O 2.95Å; Q184-F191 HydrophobicContact CG-CB 3.94Å
185P68.6Low84.6Confident114 Ų11462.8 Ų62.874%0.7432%0.32SS*.THydrogen-bonded Turntrans-55.1-21.6-170.5-2732.1000116.2
186N64.4Low85.8Confident103 Ų10360.4 Ų60.455%0.55131%0.311SS*.THydrogen-bonded Turntrans-128.4-14.6-170.2-48.3-58.2000115.2Q184 R276Q184-N186 PolarHBondContact O-N 2.78Å; N186-R276 PolarHBondContact ND2-NH2 3.47Å; N186-R276 PolarHBondContact OD1-NH2 2.82Å
187S65.6Low86.5Confident65 Ų6559.5 Ų59.546%0.45530%0.301SS..THydrogen-bonded Turntrans-109.5-3.5-17555.50000113.8Q184 Q189Q184-S187 VanDerWaalsContact CB-OG 3.23Å; Q184-S187 WeakPolarHBondContact CB-OG 3.38Å; S187-Q189 PolarHBondContact O-N 3.41Å; S187-Q189 WeakPolarHBondContact OG-CB 3.45Å
188R75.9Confident86.9Confident173 Ų17359.9 Ų59.965%0.65330%0.303SS*.  trans47.429.6-172.3-58.5-173.9-177.4167.7-2.2112.4R142R142-R188 VanDerWaalsContact NH1-NH1 3.17Å
189Q87.4Confident86.9Confident26 Ų2654.6 Ų54.612%0.12128%0.28CS..  trans-104.8143.5179.5-177.2-18045.600107.6Y135 I136 Q184 S187Y135-Q189 HydrophobicContact CD1-CG 4.11Å; I136-Q189 WeakPolarHBondContact O-CA 3.48Å; I136-Q189 VanDerWaalsContact O-CG 3.27Å; I136-Q189 WeakPolarHBondContact O-CG 3.49Å; Q184-Q189 WeakPolarHBondContact CB-O 3.33Å; Q184-Q189 WeakPolarHBondContact CG-O 3.36Å; Q184-Q189 PolarHBondContact N-O 2.95Å; S187-Q189 PolarHBondContact O-N 3.41Å; S187-Q189 WeakPolarHBondContact OG-CB 3.45Å
190L91.3Very high87Confident41 Ų4155.9 Ų55.922%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-91.1139.6170.9-52.6175.3000109.5Y135 I136 I160 F181 E183Y135-L190 CarbonylContact C-O 3.57Å; Y135-L190 WeakPolarHBondContact CA-O 3.26Å; I136-L190 HydrophobicContact CB-CB 4.09Å; I136-L190 HydrophobicContact CB-CD1 4.45Å; I136-L190 HydrophobicContact CD1-CD1 4.45Å; I136-L190 PolarHBondContact N-O 3.32Å; I136-L190 PolarHBondContact O-N 2.89Å; I160-L190 HydrophobicContact CB-CD1 4.39Å; I160-L190 HydrophobicContact CD1-CD1 3.96Å; F181-L190 HydrophobicContact CB-CB 4.13Å; F181-L190 HydrophobicContact CB-CD1 4.39Å; F181-L190 HydrophobicContact CD1-CB 3.92Å; F181-L190 HydrophobicContact CG-CB 4.37Å; E183-L190 HydrophobicContact CB-CD2 3.95Å; E183-L190 HydrophobicContact CG-CD2 4.28Å
191F93.8Very high87.1Confident3 Ų352.6 Ų52.61%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-127.5137.4178.5169.1-103.7000110.6C133 V134 Y135 F181 D182 Q184 C193 Q285C133-F191 HydrophobicContact CB-CD2 4.46Å; C133-F191 HydrophobicContact CB-CE2 3.61Å; C133-F191 HydrophobicContact CB-CZ 4.22Å; V134-F191 WeakPolarHBondContact O-CA 3.49Å; Y135-F191 HydrophobicContact CD1-CB 4.27Å; Y135-F191 AromaticContact CD1-CD2 3.82Å; Y135-F191 HydrophobicContact CD1-CD2 3.82Å; Y135-F191 HydrophobicContact CE1-CB 4.26Å; Y135-F191 AromaticContact CE1-CD2 3.32Å; Y135-F191 HydrophobicContact CE1-CD2 3.32Å; Y135-F191 AromaticContact CE1-CE2 4Å; Y135-F191 HydrophobicContact CE1-CE2 4Å; Y135-F191 HydrophobicContact CE1-CG 4.14Å; Y135-F191 HydrophobicContact CE2-CD2 4.1Å; Y135-F191 HydrophobicContact CE2-CE2 4.19Å; Y135-F191 HydrophobicContact CG-CD2 4.41Å; Y135-F191 AromaticContact CZ-CD2 3.48Å; Y135-F191 VanDerWaalsContact CZ-CD2 3.48Å; Y135-F191 AromaticContact CZ-CE2 3.67Å; F181-F191 WeakPolarHBondContact CA-O 3.47Å; D182-F191 PolarHBondContact N-O 2.94Å; D182-F191 PolarHBondContact O-N 2.8Å; Q184-F191 HydrophobicContact CG-CB 3.94Å; F191-C193 HydrophobicContact CE1-CB 4.47Å; F191-C193 HydrophobicContact CZ-CB 4.01Å; F191-Q285 HydrophobicContact CD1-CG 4.34Å; F191-Q285 HydrophobicContact CE1-CG 3.73Å; F191-Q285 HydrophobicContact CE2-CG 3.93Å; F191-Q285 HydrophobicContact CZ-CG 3.49Å; F191-Q285 VanDerWaalsContact CZ-CG 3.49Å
192A94.9Very high87.1Confident3 Ų359.7 Ų59.73%0.02531%0.306CS..EExtended strand (participates in β ladder)trans-141.5155.2168.800000110.7C133 V134 L179 L180 F181C133-A192 CarbonylContact C-O 3.48Å; C133-A192 VanDerWaalsContact CA-O 3.26Å; C133-A192 WeakPolarHBondContact CA-O 3.37Å; C133-A192 WeakPolarHBondContact CB-O 3.43Å; V134-A192 PolarHBondContact N-O 2.88Å; V134-A192 PolarHBondContact O-N 2.79Å; L179-A192 HydrophobicContact CB-CB 3.84Å; L179-A192 HydrophobicContact CD1-CB 4.49Å; L179-A192 HydrophobicContact CD2-CB 4.02Å; L179-A192 HydrophobicContact CG-CB 4.34Å; L180-A192 VanDerWaalsContact O-CB 3.28Å; L180-A192 WeakPolarHBondContact O-CB 3.45Å; F181-A192 HydrophobicContact CD1-CB 3.6Å; F181-A192 HydrophobicContact CE1-CB 3.63Å; F181-A192 HydrophobicContact CG-CB 4.08Å; F181-A192 HydrophobicContact CZ-CB 4.14Å
193C94.1Very high87.2Confident23 Ų2357.9 Ų57.916%0.15530%0.296CS..EExtended strand (participates in β ladder)trans-137.9144.1175.561.30000112.3P132 C133 F191 K195P132-C193 CarbonylContact O-C 3.45Å; P132-C193 WeakPolarHBondContact O-CA 3.38Å; C133-C193 HydrophobicContact CB-CB 4.05Å; F191-C193 HydrophobicContact CE1-CB 4.47Å; F191-C193 HydrophobicContact CZ-CB 4.01Å; C193-K195 PolarHBondContact O-N 2.92Å; C193-K195 WeakPolarHBondContact SG-CE 3.4Å
194A94Very high87.5Confident0 Ų059.1 Ų59.10%030%0.3CS..  trans-98.978.4-177.200000111.2P132 M164 F177 L179 S196 L197P132-A194 HydrophobicContact CB-CB 4.46Å; P132-A194 PolarHBondContact O-N 2.69Å; M164-A194 HydrophobicContact SD-CB 3.88Å; F177-A194 HydrophobicContact CD1-CB 3.74Å; F177-A194 HydrophobicContact CE1-CB 4.12Å; F177-A194 HydrophobicContact CG-CB 4.46Å; L179-A194 HydrophobicContact CD2-CB 4.04Å; A194-S196 VanDerWaalsContact C-N 3.33Å; A194-S196 PolarHBondContact O-N 3.07Å; A194-L197 HydrophobicContact CB-CD1 3.4Å; A194-L197 VanDerWaalsContact CB-CD1 3.4Å; A194-L197 HydrophobicContact CB-CG 3.78Å
195K91.9Very high88Confident104 Ų10461 Ų6145%0.45231%0.306SS..THydrogen-bonded Turntrans-73.5-17.9-170.9-61.5-171.4-176.4-173.90115.2F127 P131 C193F127-K195 WeakPolarHBondContact CB-O 3.4Å; P131-K195 HydrophobicContact CB-CG 4.25Å; P131-K195 HydrophobicContact CG-CG 4.45Å; C193-K195 PolarHBondContact O-N 2.92Å; C193-K195 WeakPolarHBondContact SG-CE 3.4Å
196S91.6Very high89.2Confident47 Ų4763.7 Ų63.733%0.32931%0.305SS..THydrogen-bonded Turntrans-114.616.4-174.775.70000114.3F127 F177 A194F127-S196 WeakPolarHBondContact CD1-O 3.42Å; F127-S196 WeakPolarHBondContact CE1-O 3.12Å; F177-S196 WeakPolarHBondContact CD2-OG 3.37Å; F177-S196 WeakPolarHBondContact CE2-OG 3.21Å; A194-S196 VanDerWaalsContact C-N 3.33Å; A194-S196 PolarHBondContact O-N 3.07Å
197L94.1Very high90.7Very high12 Ų1262.3 Ų62.36%0.06330%0.295CS..  trans-73.3135.2173-71178.1000110.6F127 F128 P132 M164 F177 A194 L210F127-L197 CarbonylContact C-O 3.58Å; F127-L197 VanDerWaalsContact CA-O 3.26Å; F127-L197 WeakPolarHBondContact CA-O 3.31Å; F128-L197 HydrophobicContact CD2-CB 3.66Å; F128-L197 HydrophobicContact CE2-CB 3.85Å; F128-L197 HydrophobicContact CG-CB 4.41Å; F128-L197 PolarHBondContact N-O 3.06Å; P132-L197 HydrophobicContact CG-CD1 4.27Å; M164-L197 HydrophobicContact CB-CD1 4.45Å; M164-L197 HydrophobicContact CG-CD1 3.84Å; M164-L197 HydrophobicContact SD-CD1 3.7Å; F177-L197 HydrophobicContact CB-CD2 3.73Å; F177-L197 HydrophobicContact CB-CG 4.27Å; A194-L197 HydrophobicContact CB-CD1 3.4Å; A194-L197 VanDerWaalsContact CB-CD1 3.4Å; A194-L197 HydrophobicContact CB-CG 3.78Å; L197-L210 HydrophobicContact CD1-CD2 4.19Å
198F94.6Very high92.1Very high65 Ų6559.3 Ų59.329%0.28527%0.274SS..  trans-148.7161.3176.370.1-80.8000109.7K125 R126 F127K125-F198 HydrophobicContact CB-CG 4.45Å; K125-F198 HydrophobicContact CD-CD1 4.27Å; K125-F198 HydrophobicContact CD-CE1 3.85Å; K125-F198 HydrophobicContact CD-CZ 4.06Å; K125-F198 HydrophobicContact CG-CD1 4.33Å; K125-F198 HydrophobicContact CG-CD2 4.37Å; K125-F198 HydrophobicContact CG-CE1 4.17Å; K125-F198 HydrophobicContact CG-CE2 4.19Å; K125-F198 HydrophobicContact CG-CG 4.45Å; K125-F198 HydrophobicContact CG-CZ 4.1Å; R126-F198 WeakPolarHBondContact O-CB 3.26Å; F127-F198 HydrophobicContact CD1-CB 4.25Å; F127-F198 HydrophobicContact CD1-CD1 4.35Å; F127-F198 HydrophobicContact CE1-CD1 4.17Å
199I94.1Very high93.1Very high1 Ų151.8 Ų51.81%0.00525%0.248CC..  trans-116.2127.5172-170.8171.5000110S120 F128 L166 D203 F208 V232S120-I199 VanDerWaalsContact CB-O 3.27Å; S120-I199 WeakPolarHBondContact CB-O 3.29Å; S120-I199 PolarHBondContact N-O 2.73Å; S120-I199 PolarHBondContact OG-O 2.91Å; F128-I199 HydrophobicContact CE1-CB 4.3Å; F128-I199 HydrophobicContact CE1-CG2 4.06Å; F128-I199 HydrophobicContact CZ-CB 4.22Å; F128-I199 HydrophobicContact CZ-CG2 4.4Å; L166-I199 HydrophobicContact CD1-CB 4.38Å; L166-I199 HydrophobicContact CD1-CG1 4.38Å; I199-D203 HydrophobicContact CD1-CB 4.02Å; I199-D203 HydrophobicContact CG1-CB 3.78Å; I199-F208 HydrophobicContact CD1-CD1 3.71Å; I199-F208 HydrophobicContact CD1-CE1 3.9Å; I199-F208 HydrophobicContact CD1-CG 4.48Å; I199-V232 HydrophobicContact CD1-CG1 4.47Å; I199-V232 HydrophobicContact CD1-CG2 3.66Å; I199-V232 HydrophobicContact CG2-CG1 4.39Å
200S92.9Very high93.5Very high31 Ų3150.5 Ų50.522%0.21724%0.242CC..BIsolated β-bridgetrans-77.8157.9179.4175.30000112S120 Q202 D203S120-S200 CarbonylContact O-C 3.53Å; S200-Q202 PolarHBondContact O-N 2.92Å; S200-Q202 PolarHBondContact OG-N 3.07Å; S200-D203 WeakPolarHBondContact O-CB 3.23Å; S200-D203 PolarHBondContact O-N 2.74Å; S200-D203 VanDerWaalsContact O-N 3.13Å
201D91.9Very high93.7Very high43 Ų4350.3 Ų50.323%0.2324%0.241CC..THydrogen-bonded Turntrans-72.8-13.5172.263.5-27.8000114.1K119 S120 Y121 G122 D203 K204K119-D201 HydrophobicContact CD-CB 3.79Å; K119-D201 HydrophobicContact CG-CB 3.95Å; S120-D201 WeakPolarHBondContact O-CB 3.37Å; S120-D201 PolarHBondContact O-N 3.36Å; Y121-D201 HydrophobicContact CD1-CB 3.76Å; Y121-D201 HydrophobicContact CE1-CB 4.12Å; Y121-D201 HydrophobicContact CG-CB 4.39Å; G122-D201 PolarHBondContact N-OD1 2.95Å; G122-D201 PolarHBondContact N-OD2 2.83Å; D201-D203 VanDerWaalsContact C-N 3.26Å; D201-K204 PolarHBondContact O-NZ 2.91Å
202Q91.2Very high93.8Very high163 Ų16350.1 Ų50.176%0.76224%0.24SC*.THydrogen-bonded Turntrans-63.6-33.1165-63.1-1774.900111.6S200 K204S200-Q202 PolarHBondContact O-N 2.92Å; S200-Q202 PolarHBondContact OG-N 3.07Å; Q202-K204 PolarHBondContact O-N 3.11Å
203D90.6Very high93.7Very high33 Ų3354.3 Ų54.318%0.17626%0.255CS..  trans-73.8115.7173.3-163.9-31000110K119 I199 S200 D201 R205K119-D203 PolarHBondContact NZ-O 2.85Å; I199-D203 HydrophobicContact CD1-CB 4.02Å; I199-D203 HydrophobicContact CG1-CB 3.78Å; S200-D203 WeakPolarHBondContact O-CB 3.23Å; S200-D203 PolarHBondContact O-N 2.74Å; S200-D203 VanDerWaalsContact O-N 3.13Å; D201-D203 VanDerWaalsContact C-N 3.26Å; D203-R205 VanDerWaalsContact OD1-CB 3.26Å; D203-R205 WeakPolarHBondContact OD1-CB 3.41Å; D203-R205 VanDerWaalsContact OD1-CG 3.25Å; D203-R205 WeakPolarHBondContact OD1-CG 3.4Å; D203-R205 PolarHBondContact OD1-N 2.77Å; D203-R205 IonicContact OD1-NE 3.64Å; D203-R205 PolarHBondContact OD1-NE 2.9Å; D203-R205 IonicContact OD2-CZ 2.85Å; D203-R205 VanDerWaalsContact OD2-CZ 3.29Å; D203-R205 IonicContact OD2-NE 2.73Å; D203-R205 PolarHBondContact OD2-NE 2.77Å; D203-R205 IonicContact OD2-NH2 2.85Å; D203-R205 PolarHBondContact OD2-NH2 3Å
204K91.8Very high93.7Very high164 Ų16453.2 Ų53.271%0.71325%0.248SC*.  trans-93.1-2.7-177.1-56.2-52.6-179.1-167.70113.3D201 Q202D201-K204 PolarHBondContact O-NZ 2.91Å; Q202-K204 PolarHBondContact O-N 3.11Å
205R92.9Very high93.5Very high68 Ų6855 Ų5526%0.25726%0.256SS..  trans-63.7140.7179.4-62.6178.5-66.8157.80.9110.2D167 D203 H207D167-R205 PolarHBondContact O-NH1 2.84Å; D167-R205 IonicContact OD1-CZ 3.7Å; D167-R205 IonicContact OD1-NH1 3.14Å; D167-R205 PolarHBondContact OD1-NH1 3.03Å; D203-R205 VanDerWaalsContact OD1-CB 3.26Å; D203-R205 WeakPolarHBondContact OD1-CB 3.41Å; D203-R205 VanDerWaalsContact OD1-CG 3.25Å; D203-R205 WeakPolarHBondContact OD1-CG 3.4Å; D203-R205 PolarHBondContact OD1-N 2.77Å; D203-R205 IonicContact OD1-NE 3.64Å; D203-R205 PolarHBondContact OD1-NE 2.9Å; D203-R205 IonicContact OD2-CZ 2.85Å; D203-R205 VanDerWaalsContact OD2-CZ 3.29Å; D203-R205 IonicContact OD2-NE 2.73Å; D203-R205 PolarHBondContact OD2-NE 2.77Å; D203-R205 IonicContact OD2-NH2 2.85Å; D203-R205 PolarHBondContact OD2-NH2 3Å; R205-H207 WeakPolarHBondContact CB-O 3.27Å
206K94.6Very high93.3Very high169 Ų16950.2 Ų50.274%0.73524%0.235SC*.SBendtrans-79.2-30.7173.8-67.8-177.2-179.9176.70111.3V232K206-V232 WeakPolarHBondContact O-CB 3.33Å; K206-V232 WeakPolarHBondContact O-CG2 3.47Å; K206-V232 PolarHBondContact O-N 2.63Å
207H95.4Very high92.8Very high74 Ų7449.7 Ų49.734%0.34324%0.237SC..EExtended strand (participates in β ladder)trans-138.8151.9-177.7-55.5-29.9000109.8R205 M229 I230R205-H207 WeakPolarHBondContact CB-O 3.27Å; H207-M229 HydrophobicContact CB-CG 3.55Å; H207-M229 HydrophobicContact CB-SD 3.56Å; H207-M229 VanDerWaalsContact CB-SD 3.56Å; H207-M229 PolarHBondContact CD2-SD 3.04Å; H207-I230 VanDerWaalsContact CA-O 3.25Å; H207-I230 WeakPolarHBondContact CA-O 3.31Å
208F95.4Very high92.1Very high3 Ų352.5 Ų52.51%0.01325%0.252CS..EExtended strand (participates in β ladder)trans-149.4164.6175.268.2-90.5000109.3A117 F128 L166 D167 I199 L210 I230 V232A117-F208 HydrophobicContact CB-CE1 3.87Å; A117-F208 HydrophobicContact CB-CZ 3.8Å; F128-F208 HydrophobicContact CE1-CZ 4.29Å; F128-F208 HydrophobicContact CE2-CE2 4.06Å; F128-F208 AromaticContact CE2-CZ 3.87Å; F128-F208 HydrophobicContact CE2-CZ 3.87Å; F128-F208 HydrophobicContact CZ-CE1 4.39Å; F128-F208 HydrophobicContact CZ-CE2 4.08Å; F128-F208 AromaticContact CZ-CZ 3.52Å; F128-F208 HydrophobicContact CZ-CZ 3.52Å; L166-F208 HydrophobicContact CD2-CD2 3.26Å; L166-F208 HydrophobicContact CD2-CE1 4.48Å; L166-F208 HydrophobicContact CD2-CE2 3.13Å; L166-F208 HydrophobicContact CD2-CG 4.03Å; L166-F208 HydrophobicContact CD2-CZ 3.8Å; D167-F208 WeakPolarHBondContact OD1-CB 3.2Å; I199-F208 HydrophobicContact CD1-CD1 3.71Å; I199-F208 HydrophobicContact CD1-CE1 3.9Å; I199-F208 HydrophobicContact CD1-CG 4.48Å; F208-L210 HydrophobicContact CE2-CD2 3.95Å; F208-I230 HydrophobicContact CD1-CB 4.42Å; F208-I230 HydrophobicContact CD2-CB 4.36Å; F208-I230 HydrophobicContact CE1-CB 4.03Å; F208-I230 HydrophobicContact CE1-CG2 3.85Å; F208-I230 HydrophobicContact CE2-CB 3.96Å; F208-I230 HydrophobicContact CE2-CD1 3.78Å; F208-I230 HydrophobicContact CE2-CG1 4.31Å; F208-I230 HydrophobicContact CE2-CG2 4.25Å; F208-I230 HydrophobicContact CZ-CB 3.79Å; F208-I230 HydrophobicContact CZ-CD1 4.1Å; F208-I230 HydrophobicContact CZ-CG2 3.61Å; F208-I230 PolarHBondContact N-O 3.29Å; F208-I230 PolarHBondContact O-N 3.24Å; F208-V232 HydrophobicContact CD1-CG2 3.57Å; F208-V232 HydrophobicContact CE1-CG2 3.78Å
209C95.7Very high91.6Very high14 Ų1459.7 Ų59.710%0.09528%0.277CS..  trans-115.5158.1167.3-59.50000110.4D167 Q226D167-C209 WeakPolarHBondContact CB-O 3.42Å; D167-C209 VanDerWaalsContact CG-O 3.24Å; D167-C209 PolarHBondContact N-O 2.91Å; D167-C209 PolarHBondContact OD1-N 3.34Å; D167-C209 VanDerWaalsContact OD1-O 3.1Å; D167-C209 VanDerWaalsContact OD2-CB 3.31Å; D167-C209 WeakPolarHBondContact OD2-CB 3.36Å; D167-C209 PolarHBondContact OD2-N 2.93Å; C209-Q226 HydrophobicContact CB-CG 3.54Å
210L96Very high91.2Very high0 Ų061.8 Ų61.80%029%0.287CS..EExtended strand (participates in β ladder)trans-84.4138.7167.3-56.7170.4000108.6H113 F128 P132 M164 C165 L166 L197 F208 Q226 S227 I230H113-L210 HydrophobicContact CB-CD1 3.85Å; F128-L210 HydrophobicContact CE2-CD2 4.18Å; P132-L210 HydrophobicContact CB-CD1 3.6Å; P132-L210 HydrophobicContact CG-CD1 3.56Å; M164-L210 HydrophobicContact CG-CB 4.44Å; M164-L210 HydrophobicContact SD-CB 4.48Å; M164-L210 HydrophobicContact SD-CD1 4.14Å; C165-L210 WeakPolarHBondContact O-CA 3.43Å; L166-L210 HydrophobicContact CD2-CD2 4.24Å; L197-L210 HydrophobicContact CD1-CD2 4.19Å; F208-L210 HydrophobicContact CE2-CD2 3.95Å; L210-Q226 CarbonylContact O-C 3.19Å; L210-Q226 WeakPolarHBondContact O-CA 3.23Å; L210-S227 PolarHBondContact N-OG 2.92Å; L210-S227 PolarHBondContact O-N 3.48Å; L210-I230 HydrophobicContact CD1-CD1 3.86Å; L210-I230 HydrophobicContact CD2-CD1 4.35Å; L210-I230 HydrophobicContact CG-CD1 3.75Å
211L95.3Very high91Very high36 Ų3663.4 Ų63.419%0.18829%0.291CS..EExtended strand (participates in β ladder)trans-112.1115.3172.1179.965.1000108.7M164 C165 R213M164-L211 WeakPolarHBondContact CA-O 3.25Å; C165-L211 PolarHBondContact N-O 2.92Å; C165-L211 PolarHBondContact O-N 3Å; L211-R213 HydrophobicContact CG-CG 4.28Å
212L95.8Very high91Very high0 Ų061.6 Ų61.60%028%0.282CS..EExtended strand (participates in β ladder)trans-96.9128171.3171.865.9000109V109 I111 V134 Y163 M164 L179 L214 S224 F225V109-L212 HydrophobicContact CG1-CD2 3.71Å; I111-L212 HydrophobicContact CD1-CB 3.9Å; I111-L212 HydrophobicContact CD1-CD2 4Å; I111-L212 HydrophobicContact CG1-CD2 4.08Å; V134-L212 HydrophobicContact CB-CD2 4.45Å; V134-L212 HydrophobicContact CG1-CD2 3.65Å; V134-L212 HydrophobicContact CG2-CD1 4.17Å; V134-L212 HydrophobicContact CG2-CD2 3.89Å; Y163-L212 CarbonylContact O-C 3.53Å; Y163-L212 WeakPolarHBondContact O-CA 3.04Å; M164-L212 HydrophobicContact CE-CB 4.31Å; M164-L212 HydrophobicContact CE-CD1 4.35Å; L179-L212 HydrophobicContact CD1-CD1 3.51Å; L212-L214 HydrophobicContact CD1-CD2 3.82Å; L212-L214 HydrophobicContact CD1-CG 4.45Å; L212-L214 HydrophobicContact CD2-CD1 4.49Å; L212-L214 HydrophobicContact CD2-CD2 4.17Å; L212-L214 HydrophobicContact CD2-CG 4.24Å; L212-L214 HydrophobicContact CG-CD2 4.07Å; L212-L214 HydrophobicContact CG-CG 4.18Å; L212-S224 CarbonylContact O-C 3.5Å; L212-S224 WeakPolarHBondContact O-CA 3.31Å; L212-F225 HydrophobicContact CB-CB 4.34Å; L212-F225 HydrophobicContact CD2-CD2 4.27Å; L212-F225 HydrophobicContact CG-CD2 4.42Å; L212-F225 PolarHBondContact N-O 3.06Å; L212-F225 PolarHBondContact O-N 2.9Å
213R94.4Very high91Very high90 Ų9053.8 Ų53.834%0.3425%0.245SC..EExtended strand (participates in β ladder)trans-117.4127.5169.2-50.9-169.3-157.8164.15109.3G162 Y163 L211 F215 S224G162-R213 CarbonylContact C-O 3.54Å; G162-R213 VanDerWaalsContact CA-O 3.31Å; G162-R213 WeakPolarHBondContact CA-O 3.38Å; Y163-R213 PolarHBondContact N-O 2.79Å; Y163-R213 PolarHBondContact O-N 3.02Å; L211-R213 HydrophobicContact CG-CG 4.28Å; R213-F215 HydrophobicContact CB-CE2 3.69Å; R213-F215 HydrophobicContact CB-CZ 4.24Å; R213-S224 WeakPolarHBondContact CG-OG 3.27Å
214L93.7Very high91.2Very high0 Ų053.6 Ų53.60%025%0.247CC..EExtended strand (participates in β ladder)trans-107.1137.8178.7-64.4-176.1000110.2V109 I136 W141 I160 C161 F181 L212 V222 G223 F225V109-L214 HydrophobicContact CG1-CD1 4.15Å; V109-L214 HydrophobicContact CG2-CD1 3.81Å; I136-L214 HydrophobicContact CD1-CD1 4.02Å; I136-L214 HydrophobicContact CD1-CD2 4.37Å; W141-L214 HydrophobicContact CH2-CD1 4.39Å; I160-L214 HydrophobicContact CG2-CD2 4.25Å; C161-L214 WeakPolarHBondContact O-CA 3.44Å; F181-L214 HydrophobicContact CE2-CD2 3.9Å; F181-L214 HydrophobicContact CZ-CD2 3.82Å; L212-L214 HydrophobicContact CD1-CD2 3.82Å; L212-L214 HydrophobicContact CD1-CG 4.45Å; L212-L214 HydrophobicContact CD2-CD1 4.49Å; L212-L214 HydrophobicContact CD2-CD2 4.17Å; L212-L214 HydrophobicContact CD2-CG 4.24Å; L212-L214 HydrophobicContact CG-CD2 4.07Å; L212-L214 HydrophobicContact CG-CG 4.18Å; L214-V222 HydrophobicContact CB-CB 3.97Å; L214-V222 HydrophobicContact CB-CG2 4.44Å; L214-V222 PolarHBondContact O-N 3.24Å; L214-G223 PolarHBondContact N-O 3.25Å; L214-G223 PolarHBondContact O-N 3.4Å; L214-F225 HydrophobicContact CB-CE2 4.36Å; L214-F225 HydrophobicContact CD1-CD2 4.31Å; L214-F225 HydrophobicContact CD1-CE2 3.76Å; L214-F225 HydrophobicContact CG-CD2 4.33Å; L214-F225 HydrophobicContact CG-CE2 4.02Å
215F90.5Very high91.4Very high38 Ų3845.9 Ų45.917%0.16721%0.213CC..EExtended strand (participates in β ladder)trans-132.6147.6176.7-59.2-96.5000110.1C161 Y163 R213 Q220 E221C161-F215 PolarHBondContact N-O 3.22Å; C161-F215 PolarHBondContact O-N 3.09Å; C161-F215 PolarHBondContact SG-O 3.11Å; C161-F215 VanDerWaalsContact SG-O 3.41Å; Y163-F215 AromaticContact CD2-CD2 3.84Å; Y163-F215 HydrophobicContact CD2-CD2 3.84Å; Y163-F215 AromaticContact CD2-CE2 3.89Å; Y163-F215 HydrophobicContact CD2-CE2 3.89Å; Y163-F215 HydrophobicContact CE2-CD2 4.12Å; Y163-F215 HydrophobicContact CE2-CE2 4.4Å; R213-F215 HydrophobicContact CB-CE2 3.69Å; R213-F215 HydrophobicContact CB-CZ 4.24Å; F215-Q220 CarbonylContact C-O 3.57Å; F215-Q220 VanDerWaalsContact CA-O 3.25Å; F215-Q220 WeakPolarHBondContact CA-O 3.19Å; F215-E221 HydrophobicContact CD1-CB 3.91Å; F215-E221 HydrophobicContact CD1-CG 4.34Å; F215-E221 HydrophobicContact CE1-CB 3.76Å; F215-E221 HydrophobicContact CE1-CG 3.99Å; F215-E221 HydrophobicContact CZ-CG 4.42Å
216L87.4Confident91.4Very high4 Ų446.6 Ų46.62%0.02122%0.219CC..  trans-78.3166.4165.9-63175.6000110.2M144 L148 I160 N218 R219 Q220 V222 I416M144-L216 HydrophobicContact CE-CD2 3.96Å; L148-L216 HydrophobicContact CD1-CD1 4.34Å; I160-L216 HydrophobicContact CG1-CD2 4.37Å; L216-N218 VanDerWaalsContact CB-OD1 3.23Å; L216-N218 WeakPolarHBondContact CB-OD1 3.46Å; L216-N218 PolarHBondContact O-N 2.85Å; L216-R219 WeakPolarHBondContact O-CA 3.23Å; L216-R219 PolarHBondContact O-N 2.71Å; L216-Q220 HydrophobicContact CB-CB 4.46Å; L216-Q220 PolarHBondContact N-O 3.01Å; L216-V222 HydrophobicContact CD1-CG2 4.47Å; L216-V222 HydrophobicContact CD2-CG2 3.88Å; L216-V222 HydrophobicContact CG-CG2 3.67Å; L216-I416 HydrophobicContact CD1-CG2 4.37Å
217G80.1Confident91.5Very high36 Ų3638.9 Ų38.937%0.37119%0.187SC..THydrogen-bonded Turntrans-62.9-25.9-178.400000114.2S156 V157 R159 R219S156-G217 WeakPolarHBondContact O-CA 3.41Å; V157-G217 CarbonylContact O-C 3.26Å; V157-G217 WeakPolarHBondContact O-CA 3.3Å; V157-G217 PolarHBondContact O-N 3.25Å; R159-G217 PolarHBondContact O-N 3.01Å; R159-G217 VanDerWaalsContact O-N 3.1Å; G217-R219 PolarHBondContact O-N 2.71Å
218N79.9Confident91.5Very high71 Ų7141.6 Ų41.638%0.3819%0.194SC..THydrogen-bonded Turntrans-74.79.2168.863.8-3.2000114.4V157 L216 Q220V157-N218 HydrophobicContact CG1-CB 4.04Å; V157-N218 PolarHBondContact O-N 3.37Å; V157-N218 VanDerWaalsContact O-N 3.13Å; L216-N218 VanDerWaalsContact CB-OD1 3.23Å; L216-N218 WeakPolarHBondContact CB-OD1 3.46Å; L216-N218 PolarHBondContact O-N 2.85Å; N218-Q220 PolarHBondContact ND2-OE1 3.38Å; N218-Q220 PolarHBondContact O-N 3.49Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.42Å; N218-Q220 PolarHBondContact OD1-N 2.87Å
219R83Confident91.5Very high215 Ų21547.2 Ų47.281%0.81122%0.222SC*.SBendtrans66.910.5-176.2-52.7175.8168.6-89.20.6114.9L216 G217 E221L216-R219 WeakPolarHBondContact O-CA 3.23Å; L216-R219 PolarHBondContact O-N 2.71Å; G217-R219 PolarHBondContact O-N 2.71Å; R219-E221 PolarHBondContact O-N 2.65Å
220Q86.2Confident91.6Very high45 Ų4546.7 Ų46.721%0.2122%0.218CC..  trans-70.6128.9172.4-174.5175.2-14.700109.7F215 L216 N218 V222 I416 Q417F215-Q220 CarbonylContact C-O 3.57Å; F215-Q220 VanDerWaalsContact CA-O 3.25Å; F215-Q220 WeakPolarHBondContact CA-O 3.19Å; L216-Q220 HydrophobicContact CB-CB 4.46Å; L216-Q220 PolarHBondContact N-O 3.01Å; N218-Q220 PolarHBondContact ND2-OE1 3.38Å; N218-Q220 PolarHBondContact O-N 3.49Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.42Å; N218-Q220 PolarHBondContact OD1-N 2.87Å; Q220-V222 PolarHBondContact O-N 3.08Å; Q220-I416 PolarHBondContact NE2-O 2.87Å; Q220-Q417 VanDerWaalsContact NE2-CA 3.26Å
221E89.6Confident91.6Very high65 Ų6549.4 Ų49.430%0.30423%0.23SC..EExtended strand (participates in β ladder)trans-71.1124.4176.7-173.3172.1-177.700109.6F215 R219 S224 P419F215-E221 HydrophobicContact CD1-CB 3.91Å; F215-E221 HydrophobicContact CD1-CG 4.34Å; F215-E221 HydrophobicContact CE1-CB 3.76Å; F215-E221 HydrophobicContact CE1-CG 3.99Å; F215-E221 HydrophobicContact CZ-CG 4.42Å; R219-E221 PolarHBondContact O-N 2.65Å; E221-S224 PolarHBondContact OE1-OG 3.1Å; E221-P419 HydrophobicContact CG-CB 4.33Å
222V91.2Very high91.7Very high5 Ų548.6 Ų48.63%0.0323%0.227CC..EExtended strand (participates in β ladder)trans-76.9-49.1169.6179.50000108.6W141 L214 L216 Q220 P419 V420W141-V222 HydrophobicContact CH2-CG1 3.8Å; W141-V222 HydrophobicContact CZ3-CG1 4.04Å; L214-V222 HydrophobicContact CB-CB 3.97Å; L214-V222 HydrophobicContact CB-CG2 4.44Å; L214-V222 PolarHBondContact O-N 3.24Å; L216-V222 HydrophobicContact CD1-CG2 4.47Å; L216-V222 HydrophobicContact CD2-CG2 3.88Å; L216-V222 HydrophobicContact CG-CG2 3.67Å; Q220-V222 PolarHBondContact O-N 3.08Å; V222-P419 CarbonylContact O-C 3.58Å; V222-P419 WeakPolarHBondContact O-CA 3.4Å; V222-V420 WeakPolarHBondContact O-CG2 3.41Å; V222-V420 PolarHBondContact O-N 2.86Å
223G92.4Very high91.6Very high0 Ų049.6 Ų49.60%023%0.231CC..EExtended strand (participates in β ladder)trans164.7175.2173.200000113.3L214L214-G223 PolarHBondContact N-O 3.25Å; L214-G223 PolarHBondContact O-N 3.4Å
224S93.6Very high91.5Very high29 Ų2948.5 Ų48.520%0.20324%0.238CC..EExtended strand (participates in β ladder)trans-113.4131.4179.8-70.70000111.4L212 R213 E221 S421L212-S224 CarbonylContact O-C 3.5Å; L212-S224 WeakPolarHBondContact O-CA 3.31Å; R213-S224 WeakPolarHBondContact CG-OG 3.27Å; E221-S224 PolarHBondContact OE1-OG 3.1Å; S224-S421 PolarHBondContact N-OG 3.23Å
225F95.3Very high91.1Very high1 Ų155.4 Ų55.40%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-129.5130.4-173.3-52.5-87.9000110.4V109 I111 L212 L214 F407 F409 V420 F423V109-F225 HydrophobicContact CB-CE1 4.38Å; V109-F225 HydrophobicContact CB-CZ 4.44Å; V109-F225 HydrophobicContact CG1-CD2 4.35Å; V109-F225 HydrophobicContact CG1-CG 4.43Å; V109-F225 HydrophobicContact CG2-CE1 4.24Å; V109-F225 HydrophobicContact CG2-CE2 4.18Å; V109-F225 HydrophobicContact CG2-CZ 3.88Å; I111-F225 HydrophobicContact CD1-CB 4Å; L212-F225 HydrophobicContact CB-CB 4.34Å; L212-F225 HydrophobicContact CD2-CD2 4.27Å; L212-F225 HydrophobicContact CG-CD2 4.42Å; L212-F225 PolarHBondContact N-O 3.06Å; L212-F225 PolarHBondContact O-N 2.9Å; L214-F225 HydrophobicContact CB-CE2 4.36Å; L214-F225 HydrophobicContact CD1-CD2 4.31Å; L214-F225 HydrophobicContact CD1-CE2 3.76Å; L214-F225 HydrophobicContact CG-CD2 4.33Å; L214-F225 HydrophobicContact CG-CE2 4.02Å; F225-F407 HydrophobicContact CB-CD2 3.99Å; F225-F407 HydrophobicContact CB-CE2 3.87Å; F225-F407 HydrophobicContact CB-CG 4.5Å; F225-F407 HydrophobicContact CB-CZ 4.27Å; F225-F407 HydrophobicContact CD1-CB 3.7Å; F225-F407 AromaticContact CD1-CD1 3.91Å; F225-F407 HydrophobicContact CD1-CD1 3.91Å; F225-F407 AromaticContact CD1-CD2 3.74Å; F225-F407 HydrophobicContact CD1-CD2 3.74Å; F225-F407 HydrophobicContact CD1-CE2 4.37Å; F225-F407 AromaticContact CD1-CG 3.49Å; F225-F407 HydrophobicContact CD1-CG 3.49Å; F225-F407 VanDerWaalsContact CD1-CG 3.49Å; F225-F407 HydrophobicContact CE1-CB 3.87Å; F225-F407 HydrophobicContact CE1-CG 4.17Å; F225-F407 HydrophobicContact CG-CD2 4.22Å; F225-F407 HydrophobicContact CG-CG 4.39Å; F225-F409 HydrophobicContact CE1-CD1 4.45Å; F225-F409 AromaticContact CE1-CE1 3.92Å; F225-F409 HydrophobicContact CE1-CE1 3.92Å; F225-F409 AromaticContact CZ-CE1 3.86Å; F225-F409 HydrophobicContact CZ-CE1 3.86Å; F225-F409 HydrophobicContact CZ-CZ 4.33Å; F225-V420 HydrophobicContact CE1-CG2 3.87Å; F225-V420 HydrophobicContact CE2-CG2 4.47Å; F225-V420 HydrophobicContact CZ-CG2 3.54Å; F225-F423 HydrophobicContact CD1-CD2 4.39Å; F225-F423 HydrophobicContact CE1-CD2 4.12Å; F225-F423 HydrophobicContact CE1-CE2 4.46Å
226Q94.6Very high90.8Very high83 Ų8355.7 Ų55.739%0.38827%0.273SS..EExtended strand (participates in β ladder)trans-108.3135.1-175.4-168.5175.211.600111.3D167 C209 L210 F407D167-Q226 PolarHBondContact OD2-NE2 3.26Å; C209-Q226 HydrophobicContact CB-CG 3.54Å; L210-Q226 CarbonylContact O-C 3.19Å; L210-Q226 WeakPolarHBondContact O-CA 3.23Å; Q226-F407 VanDerWaalsContact O-CZ 3.24Å; Q226-F407 WeakPolarHBondContact O-CZ 3.39Å
227S96.3Very high90.4Very high8 Ų857.4 Ų57.46%0.05629%0.286CS..  trans-72.3174.5175.680.20000112.6H113 L210H113-S227 WeakPolarHBondContact NE2-CB 3.46Å; L210-S227 PolarHBondContact N-OG 2.92Å; L210-S227 PolarHBondContact O-N 3.48Å
228R95.5Very high90.3Very high130 Ų13064.6 Ų64.649%0.49131%0.31SS..  trans-67.9163.4163.6-66.1-57.9-178.9176.4-0.1110.1H113 E403 V405H113-R228 PolarHBondContact CE1-O 3.04Å; H113-R228 VanDerWaalsContact CE1-O 3.26Å; H113-R228 PolarHBondContact NE2-N 3.29Å; R228-E403 HydrophobicContact CB-CB 4.33Å; R228-E403 HydrophobicContact CB-CG 4.09Å; R228-E403 HydrophobicContact CG-CB 4.43Å; R228-E403 HydrophobicContact CG-CG 4.31Å; R228-V405 HydrophobicContact CB-CG2 4.35Å; R228-V405 HydrophobicContact CG-CG2 3.64Å
229M95.5Very high90.2Very high121 Ų12169.4 Ų69.460%0.59633%0.327SS*.  trans-61.6132.9179.6-169.7174.9-70.100111.6H207H207-M229 HydrophobicContact CB-CG 3.55Å; H207-M229 HydrophobicContact CB-SD 3.56Å; H207-M229 VanDerWaalsContact CB-SD 3.56Å; H207-M229 PolarHBondContact CD2-SD 3.04Å
230I97.3Very high90.2Very high4 Ų467.7 Ų67.72%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-112.3124.9178.2-55-177.2000108.9H113 K115 A117 H207 F208 L210H113-I230 HydrophobicContact CB-CD1 4.27Å; H113-I230 VanDerWaalsContact ND1-CD1 3.34Å; H113-I230 WeakPolarHBondContact ND1-CD1 3.35Å; H113-I230 WeakPolarHBondContact ND1-CG1 3.09Å; K115-I230 WeakPolarHBondContact O-CA 3.37Å; A117-I230 HydrophobicContact CB-CG2 3.8Å; H207-I230 VanDerWaalsContact CA-O 3.25Å; H207-I230 WeakPolarHBondContact CA-O 3.31Å; F208-I230 HydrophobicContact CD1-CB 4.42Å; F208-I230 HydrophobicContact CD2-CB 4.36Å; F208-I230 HydrophobicContact CE1-CB 4.03Å; F208-I230 HydrophobicContact CE1-CG2 3.85Å; F208-I230 HydrophobicContact CE2-CB 3.96Å; F208-I230 HydrophobicContact CE2-CD1 3.78Å; F208-I230 HydrophobicContact CE2-CG1 4.31Å; F208-I230 HydrophobicContact CE2-CG2 4.25Å; F208-I230 HydrophobicContact CZ-CB 3.79Å; F208-I230 HydrophobicContact CZ-CD1 4.1Å; F208-I230 HydrophobicContact CZ-CG2 3.61Å; F208-I230 PolarHBondContact N-O 3.29Å; F208-I230 PolarHBondContact O-N 3.24Å; L210-I230 HydrophobicContact CD1-CD1 3.86Å; L210-I230 HydrophobicContact CD2-CD1 4.35Å; L210-I230 HydrophobicContact CG-CD1 3.75Å
231K96.7Very high90.1Very high56 Ų5666 Ų6624%0.24331%0.313CS..EExtended strand (participates in β ladder)trans-84.4128179.4175.5170.5-171.9172.60111.8K115 V116 A117 I233 D247K115-K231 PolarHBondContact O-N 3.03Å; V116-K231 CarbonylContact C-O 3.31Å; V116-K231 WeakPolarHBondContact CA-O 3.49Å; V116-K231 HydrophobicContact CG1-CB 4.24Å; A117-K231 PolarHBondContact N-O 2.99Å; K231-I233 HydrophobicContact CG-CG2 4.4Å; K231-D247 HydrophobicContact CD-CB 4.2Å; K231-D247 IonicContact NZ-OD2 2.79Å; K231-D247 PolarHBondContact NZ-OD2 2.8Å
232V96.1Very high89.8Confident20 Ų2065.4 Ų65.412%0.12132%0.316CS..EExtended strand (participates in β ladder)trans-81.1127.6176.2-174.20000109.6A117 K119 I199 K206 F208A117-V232 WeakPolarHBondContact O-CA 3.17Å; K119-V232 HydrophobicContact CB-CG1 4.13Å; I199-V232 HydrophobicContact CD1-CG1 4.47Å; I199-V232 HydrophobicContact CD1-CG2 3.66Å; I199-V232 HydrophobicContact CG2-CG1 4.39Å; K206-V232 WeakPolarHBondContact O-CB 3.33Å; K206-V232 WeakPolarHBondContact O-CG2 3.47Å; K206-V232 PolarHBondContact O-N 2.63Å; F208-V232 HydrophobicContact CD1-CG2 3.57Å; F208-V232 HydrophobicContact CE1-CG2 3.78Å
233I94.8Very high89.4Confident20 Ų2070.6 Ų70.610%0.10334%0.341CS..EExtended strand (participates in β ladder)trans-122148.217662.2172.3000110.6V116 A117 Q118 K119 K231 L248 L352V116-I233 HydrophobicContact CB-CD1 4.32Å; V116-I233 HydrophobicContact CB-CG2 4.44Å; V116-I233 HydrophobicContact CG2-CD1 4.09Å; A117-I233 WeakPolarHBondContact O-CG1 3.43Å; A117-I233 PolarHBondContact O-N 3.35Å; Q118-I233 WeakPolarHBondContact CA-O 3.3Å; Q118-I233 HydrophobicContact CB-CG1 4.41Å; K119-I233 PolarHBondContact N-O 3.47Å; K231-I233 HydrophobicContact CG-CG2 4.4Å; I233-L248 HydrophobicContact CG2-CD2 4.11Å; I233-L352 HydrophobicContact CD1-CD1 3.72Å
234S91.3Very high89Confident68 Ų6879.9 Ų79.948%0.47638%0.382SS..SBendtrans-76.3-50.3177.451.50000111.6Q118 Y121Q118-S234 WeakPolarHBondContact CG-O 3.31Å; Q118-S234 PolarHBondContact NE2-O 2.92Å; Y121-S234 WeakPolarHBondContact OH-CB 3.34Å
235K86.4Confident88.5Confident144 Ų14483.1 Ų83.163%0.62640%0.397SS*.SBendtrans-151154.9176.2-66.7-172.2179.3177.70109.9
236P82.9Confident88.1Confident44 Ų4485.2 Ų85.229%0.28641%0.414SS..  trans-55.4140.1167-22.232.8000110.9Q238 L352P236-Q238 PolarHBondContact O-N 2.85Å; P236-L352 HydrophobicContact CB-CB 3.93Å; P236-L352 HydrophobicContact CG-CB 3.76Å; P236-L352 HydrophobicContact CG-CD1 3.93Å
237S79.4Confident87.6Confident40 Ų4086.5 Ų86.528%0.2842%0.424SS..  trans-69.6124.4179.2-177.10000110.7K239 H353S237-K239 PolarHBondContact OG-N 3.42Å; S237-K239 PolarHBondContact OG-O 2.83Å; S237-H353 PolarHBondContact O-CD2 2.93Å; S237-H353 PolarHBondContact O-NE2 3.35Å
238Q77.8Confident87.4Confident188 Ų18887.8 Ų87.888%0.87943%0.43SS*.  trans-91.9-15170.5-66.2-177-7.500112.8P236P236-Q238 PolarHBondContact O-N 2.85Å
239K79.1Confident87.4Confident172 Ų17282 Ų8275%0.74841%0.409SS*.SBendtrans-78.5157177.7-66.9-174.3178.8-177.50110S237 Q241S237-K239 PolarHBondContact OG-N 3.42Å; S237-K239 PolarHBondContact OG-O 2.83Å; K239-Q241 PolarHBondContact O-N 3.26Å; K239-Q241 VanDerWaalsContact O-N 3.14Å
240R82.1Confident87.4Confident178 Ų17876.3 Ų76.367%0.67238%0.381SS*.PPolyproline II helixtrans-49.8121.2168.9179.8164.7-169.5-160.24.1109D346 E347R240-D346 PolarHBondContact NH2-O 3.36Å; R240-E347 WeakPolarHBondContact CA-OE2 3.11Å; R240-E347 WeakPolarHBondContact CB-OE2 3.46Å; R240-E347 HydrophobicContact CG-CB 3.87Å; R240-E347 VanDerWaalsContact CG-OE2 3.28Å; R240-E347 WeakPolarHBondContact CG-OE2 3.46Å
241Q84.5Confident87.3Confident9 Ų978.2 Ų78.24%0.04240%0.395CS..PPolyproline II helixtrans-70.3138.4-179.5-173.362.725.200109K239 N245 P348 S350K239-Q241 PolarHBondContact O-N 3.26Å; K239-Q241 VanDerWaalsContact O-N 3.14Å; Q241-N245 PolarHBondContact NE2-O 2.89Å; Q241-P348 HydrophobicContact CB-CB 4.37Å; Q241-P348 WeakPolarHBondContact CB-O 3.23Å; Q241-P348 HydrophobicContact CG-CB 4.2Å; Q241-P348 WeakPolarHBondContact O-CD 3.45Å; Q241-S350 PolarHBondContact OE1-OG 3.1Å; Q241-S350 VanDerWaalsContact OE1-OG 3.09Å
242S83.2Confident87.2Confident53 Ų5376.5 Ų76.537%0.37139%0.39SS..PPolyproline II helixtrans-101.7138.2173-177.10000109.7K244 N245S242-K244 PolarHBondContact O-N 3.5Å; S242-K244 VanDerWaalsContact O-N 3.16Å; S242-K244 PolarHBondContact OG-N 3.45Å; S242-N245 PolarHBondContact O-N 2.83Å
243M82.4Confident87.1Confident115 Ų11577.5 Ų77.557%0.56740%0.404SS*.THydrogen-bonded Turntrans-59.9-20.9171.8-67.2-175.8-109.400112.9N245 A246 F310 P348M243-N245 PolarHBondContact O-N 2.82Å; M243-A246 PolarHBondContact O-N 3.44Å; M243-F310 HydrophobicContact CB-CD2 4.29Å; M243-F310 HydrophobicContact CB-CE2 4.44Å; M243-F310 HydrophobicContact CG-CD2 4.1Å; M243-F310 HydrophobicContact SD-CD2 4.36Å; M243-P348 HydrophobicContact CG-CG 3.46Å; M243-P348 VanDerWaalsContact CG-CG 3.46Å
244K83.8Confident87.2Confident195 Ų19577.8 Ų77.885%0.84841%0.408SS*.THydrogen-bonded Turntrans-61.7-24.8173.1-64-174.9178.8-1760112.7S242 A246S242-K244 PolarHBondContact O-N 3.5Å; S242-K244 VanDerWaalsContact O-N 3.16Å; S242-K244 PolarHBondContact OG-N 3.45Å; K244-A246 PolarHBondContact O-N 3.11Å
245N83.9Confident87.5Confident96 Ų9678.1 Ų78.151%0.51340%0.401SS..  trans-98.462.2176.1-70.1-24.9000110.5Q241 S242 M243 D247 L248Q241-N245 PolarHBondContact NE2-O 2.89Å; S242-N245 PolarHBondContact O-N 2.83Å; M243-N245 PolarHBondContact O-N 2.82Å; N245-D247 VanDerWaalsContact C-N 3.29Å; N245-D247 PolarHBondContact O-N 3.44Å; N245-L248 PolarHBondContact O-N 2.85Å
246A85.9Confident88.1Confident46 Ų4671.3 Ų71.338%0.3837%0.371SS..G310 helixtrans-52.6-40.3-173.400000113.9M243 K244 L248 C249 F310M243-A246 PolarHBondContact O-N 3.44Å; K244-A246 PolarHBondContact O-N 3.11Å; A246-L248 PolarHBondContact O-N 3.36Å; A246-C249 PolarHBondContact O-N 2.84Å; A246-F310 HydrophobicContact CB-CE1 4.23Å; A246-F310 HydrophobicContact CB-CZ 3.63Å
247D85.8Confident88.8Confident109 Ų10969.2 Ų69.258%0.58336%0.358SS*.G310 helixtrans-56.1-25.5-178.5-60.6-6.9000114.9K231 N245K231-D247 HydrophobicContact CD-CB 4.2Å; K231-D247 IonicContact NZ-OD2 2.79Å; K231-D247 PolarHBondContact NZ-OD2 2.8Å; N245-D247 VanDerWaalsContact C-N 3.29Å; N245-D247 PolarHBondContact O-N 3.44Å
248L91.6Very high89.7Confident35 Ų3567.4 Ų67.418%0.18335%0.345CS..G310 helixtrans-100-9.9-178.6-64.2179.3000112.3V116 I233 N245 A246 S350 Q351V116-L248 HydrophobicContact CG1-CD2 4.44Å; I233-L248 HydrophobicContact CG2-CD2 4.11Å; N245-L248 PolarHBondContact O-N 2.85Å; A246-L248 PolarHBondContact O-N 3.36Å; L248-S350 CarbonylContact O-C 3.52Å; L248-S350 WeakPolarHBondContact O-CA 3.19Å; L248-S350 PolarHBondContact O-OG 2.86Å; L248-Q351 HydrophobicContact CD2-CG 4.25Å; L248-Q351 WeakPolarHBondContact O-CG 3.33Å; L248-Q351 PolarHBondContact O-N 2.87Å
249C94.5Very high90.6Very high8 Ų858.9 Ų58.95%0.05431%0.305CS..BIsolated β-bridgetrans-80.2160.2176-62.60000110.6A246 F310 V349A246-C249 PolarHBondContact O-N 2.84Å; C249-F310 HydrophobicContact CB-CD1 3.33Å; C249-F310 HydrophobicContact CB-CE1 3.61Å; C249-F310 HydrophobicContact CB-CG 4Å; C249-F310 HydrophobicContact CB-CZ 4.47Å; C249-V349 WeakPolarHBondContact CA-O 3.5Å
250I95.9Very high91.4Very high2 Ų251 Ų511%0.0127%0.271CS..  trans-104.3125.5171.6-57.7-175.3000108.1V256 I291 I311 V349 I399I250-V256 HydrophobicContact CD1-CG1 4.18Å; I250-V256 HydrophobicContact CG2-CG1 3.69Å; I250-I291 HydrophobicContact CG2-CG2 3.91Å; I250-I311 HydrophobicContact CG2-CD1 4.1Å; I250-I311 PolarHBondContact O-N 3.04Å; I250-V349 HydrophobicContact CD1-CG1 3.87Å; I250-V349 HydrophobicContact CG1-CG1 4.42Å; I250-V349 PolarHBondContact N-O 2.91Å; I250-I399 HydrophobicContact CD1-CB 4.32Å; I250-I399 HydrophobicContact CD1-CD1 3.59Å; I250-I399 HydrophobicContact CD1-CG1 3.56Å; I250-I399 HydrophobicContact CD1-CG2 3.9Å
251S95.2Very high91.9Very high44 Ų4446.3 Ų46.331%0.30825%0.253SS..BIsolated β-bridgetrans-97.3150.3178.8-52.60000111.5S254 G309 F310S251-S254 VanDerWaalsContact O-CB 3.23Å; S251-S254 WeakPolarHBondContact O-CB 3.45Å; S251-S254 PolarHBondContact O-N 2.98Å; S251-S254 VanDerWaalsContact O-N 3.15Å; S251-S254 PolarHBondContact O-OG 3.25Å; S251-G309 WeakPolarHBondContact CA-O 3.42Å; S251-F310 WeakPolarHBondContact OG-CD1 3.44Å; S251-F310 WeakPolarHBondContact OG-CE1 3.48Å
252S95.2Very high91.9Very high21 Ų2149 Ų4915%0.14727%0.267CS..THydrogen-bonded Turntrans-57.7139.9165.9-170.80000110.3S254 M293 S307 G309S252-S254 PolarHBondContact O-N 2.8Å; S252-M293 PolarHBondContact OG-N 3.01Å; S252-S307 WeakPolarHBondContact CB-O 3.28Å; S252-S307 PolarHBondContact OG-O 2.86Å; S252-G309 PolarHBondContact N-O 2.94Å
253G93.8Very high91.9Very high40 Ų4055 Ų5541%0.41228%0.282SS..THydrogen-bonded Turntrans78.8-7.1-173.900000114.7I291G253-I291 PolarHBondContact N-O 3.14Å
254S96.1Very high91.8Very high26 Ų2654.1 Ų54.118%0.18229%0.287CS..  trans-77.3162.2175.675.80000112.1S251 S252 T290 I291S251-S254 VanDerWaalsContact O-CB 3.23Å; S251-S254 WeakPolarHBondContact O-CB 3.45Å; S251-S254 PolarHBondContact O-N 2.98Å; S251-S254 VanDerWaalsContact O-N 3.15Å; S251-S254 PolarHBondContact O-OG 3.25Å; S252-S254 PolarHBondContact O-N 2.8Å; S254-T290 WeakPolarHBondContact O-CA 3.26Å; S254-I291 WeakPolarHBondContact O-CG2 3.44Å; S254-I291 PolarHBondContact O-N 3.09Å
255K97.9Very high91.8Very high76 Ų7649.4 Ų49.433%0.3327%0.268SS..EExtended strand (participates in β ladder)trans-94.4134.6177.3-64.5172.5179.356.70110.3F289 T322 G401 V402 V404K255-F289 CarbonylContact C-O 3.56Å; K255-F289 VanDerWaalsContact CA-O 3.32Å; K255-F289 WeakPolarHBondContact CA-O 3.49Å; K255-T322 HydrophobicContact CD-CG2 4.06Å; K255-T322 HydrophobicContact CG-CG2 4.04Å; K255-G401 WeakPolarHBondContact O-CA 3.35Å; K255-V402 HydrophobicContact CB-CG2 3.89Å; K255-V402 PolarHBondContact O-N 3.49Å; K255-V404 HydrophobicContact CD-CG2 4.1Å
256V98.4Very high91.8Very high0 Ų049.2 Ų49.20%027%0.271CS..EExtended strand (participates in β ladder)trans-133.4157.5179.1-61.80000111.6I250 F289 I291 F319 I399 I400I250-V256 HydrophobicContact CD1-CG1 4.18Å; I250-V256 HydrophobicContact CG2-CG1 3.69Å; V256-F289 HydrophobicContact CG2-CB 4.5Å; V256-F289 PolarHBondContact N-O 3.38Å; V256-F289 PolarHBondContact O-N 2.87Å; V256-I291 HydrophobicContact CG1-CG2 3.77Å; V256-I291 HydrophobicContact CG2-CB 3.89Å; V256-I291 HydrophobicContact CG2-CG2 3.95Å; V256-F319 HydrophobicContact CG2-CD1 4.03Å; V256-F319 HydrophobicContact CG2-CE1 3.7Å; V256-I399 HydrophobicContact CB-CD1 4.37Å; V256-I399 HydrophobicContact CB-CG1 4.14Å; V256-I399 HydrophobicContact CG1-CD1 4.28Å; V256-I399 HydrophobicContact CG1-CG1 4.27Å; V256-I399 HydrophobicContact CG2-CD1 4.34Å; V256-I399 HydrophobicContact CG2-CG1 4.5Å; V256-I400 CarbonylContact C-O 3.56Å; V256-I400 WeakPolarHBondContact CA-O 3.5Å; V256-I400 WeakPolarHBondContact CB-O 3.46Å
257A98.4Very high91.9Very high1 Ų153.5 Ų53.51%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-118.5149.2165.700000109.7P130 W286 I400 V402P130-A257 HydrophobicContact CG-CB 4.03Å; A257-W286 HydrophobicContact CB-CE3 3.8Å; A257-W286 HydrophobicContact CB-CZ3 4.08Å; A257-I400 HydrophobicContact CB-CG2 4.22Å; A257-I400 PolarHBondContact N-O 2.72Å; A257-I400 PolarHBondContact O-N 2.9Å; A257-I400 VanDerWaalsContact O-N 3.13Å; A257-V402 HydrophobicContact CB-CG1 3.59Å
258L98.3Very high92.1Very high1 Ų149.3 Ų49.31%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-117.6134.1176.8-62.5177.6000109.6Y271 L272 F319 F357 W397 T398 I399L258-Y271 WeakPolarHBondContact O-CA 3.46Å; L258-L272 HydrophobicContact CB-CB 3.96Å; L258-L272 HydrophobicContact CB-CD2 4.32Å; L258-L272 HydrophobicContact CD1-CD2 3.75Å; L258-L272 HydrophobicContact CG-CD2 4.48Å; L258-L272 PolarHBondContact O-N 2.86Å; L258-F319 HydrophobicContact CD1-CD1 4.26Å; L258-F319 HydrophobicContact CD1-CE1 3.83Å; L258-F319 HydrophobicContact CD1-CE2 4.43Å; L258-F319 HydrophobicContact CD1-CZ 3.95Å; L258-F319 HydrophobicContact CD2-CE1 4.42Å; L258-F319 HydrophobicContact CG-CE1 4.29Å; L258-F357 HydrophobicContact CD1-CD2 4.38Å; L258-F357 HydrophobicContact CD1-CE2 3.56Å; L258-F357 HydrophobicContact CD1-CZ 3.82Å; L258-F357 HydrophobicContact CD2-CE2 3.82Å; L258-F357 HydrophobicContact CD2-CZ 3.63Å; L258-F357 HydrophobicContact CG-CE2 4.33Å; L258-F357 HydrophobicContact CG-CZ 4.41Å; L258-W397 HydrophobicContact CB-CE3 3.94Å; L258-T398 WeakPolarHBondContact CA-O 3.34Å; L258-I399 HydrophobicContact CD2-CB 3.71Å; L258-I399 HydrophobicContact CD2-CD1 4.09Å; L258-I399 HydrophobicContact CD2-CG1 3.69Å
259F97Very high92.2Very high10 Ų1048 Ų484%0.04426%0.264CS..EExtended strand (participates in β ladder)trans-140.6144.2173.266.3-89.1000112.4C129 T269 R270 Y271 L352 T398 I400C129-F259 HydrophobicContact CB-CZ 4.5Å; F259-T269 HydrophobicContact CB-CG2 4.28Å; F259-T269 HydrophobicContact CD2-CG2 4.08Å; F259-R270 CarbonylContact C-O 3.51Å; F259-R270 VanDerWaalsContact CA-O 3.23Å; F259-R270 WeakPolarHBondContact CA-O 3.49Å; F259-R270 WeakPolarHBondContact CB-O 3.44Å; F259-Y271 HydrophobicContact CB-CD1 3.53Å; F259-Y271 HydrophobicContact CB-CE1 3.86Å; F259-Y271 HydrophobicContact CB-CG 4.36Å; F259-Y271 HydrophobicContact CG-CD1 4.37Å; F259-Y271 HydrophobicContact CG-CE1 4.3Å; F259-L352 HydrophobicContact CE1-CD2 4.23Å; F259-L352 HydrophobicContact CZ-CD2 4.04Å; F259-T398 HydrophobicContact CD1-CG2 4.49Å; F259-T398 HydrophobicContact CE1-CG2 3.66Å; F259-T398 HydrophobicContact CE2-CG2 3.92Å; F259-T398 VanDerWaalsContact CZ-CB 3.46Å; F259-T398 HydrophobicContact CZ-CG2 3.33Å; F259-T398 PolarHBondContact N-O 3.38Å; F259-T398 PolarHBondContact O-N 3.49Å; F259-I400 HydrophobicContact CD1-CG2 4.42Å; F259-I400 HydrophobicContact CE1-CG2 4.1Å
260N95.6Very high92.3Very high6 Ų650.1 Ų50.13%0.03227%0.271CS..EExtended strand (participates in β ladder)trans-102.9138.9169.9-172.8-69.7000108.5T269 R270 L369 D393 G394 C396 W397N260-T269 VanDerWaalsContact O-CA 3.32Å; N260-T269 WeakPolarHBondContact O-CA 3.22Å; N260-R270 PolarHBondContact N-O 3.42Å; N260-R270 PolarHBondContact O-N 2.87Å; N260-L369 HydrophobicContact CB-CD2 3.69Å; N260-D393 PolarHBondContact ND2-O 2.9Å; N260-G394 PolarHBondContact ND2-O 3.13Å; N260-C396 PolarHBondContact ND2-O 2.85Å; N260-W397 HydrophobicContact CB-CE3 4.22Å; N260-W397 HydrophobicContact CB-CZ3 4.22Å
261R91.8Very high92.4Very high79 Ų7951 Ų5130%0.29827%0.274SS..EExtended strand (participates in β ladder)trans-133.4100.1172.8-171.9179.9-70.7171.21.6109.7C129 R263 Q265 T269C129-R261 PolarHBondContact SG-NH2 3.08Å; R261-R263 PolarHBondContact O-N 2.88Å; R261-Q265 WeakPolarHBondContact CG-O 3.3Å; R261-T269 PolarHBondContact NE-OG1 2.92Å
262L85.9Confident92.5Very high65 Ų6548.9 Ų48.934%0.3426%0.26SS..G310 helixtrans-65.6127.6179.9-174.364.8000110.9S264 Q265 S268 D393L262-S264 PolarHBondContact O-N 3.12Å; L262-Q265 PolarHBondContact O-N 3.44Å; L262-Q265 VanDerWaalsContact O-N 3.1Å; L262-S268 PolarHBondContact N-OG 2.86Å; L262-S268 PolarHBondContact O-OG 3.04Å; L262-D393 HydrophobicContact CD1-CB 3.57Å; L262-D393 WeakPolarHBondContact CD1-OD2 3.34Å
263R82.3Confident92.5Very high180 Ų18048 Ų4868%0.67925%0.254SS*.G310 helixtrans51.328.2178.1-61.9-178.4-65.2-169.9-1.5114.6R261 Q265R261-R263 PolarHBondContact O-N 2.88Å; R263-Q265 HydrophobicContact CB-CG 4.42Å; R263-Q265 PolarHBondContact O-N 2.83Å; R263-Q265 VanDerWaalsContact O-N 3.16Å
264S80.4Confident92.4Very high96 Ų9647.3 Ų47.367%0.67124%0.241SC*.G310 helixtrans60.319.8-178.3-52.70000114.8L262L262-S264 PolarHBondContact O-N 3.12Å
265Q84.2Confident92.1Very high96 Ų9649.7 Ų49.745%0.44925%0.252SS..  trans-86.6128178.6-64.3179.5-4.300110.8R261 L262 R263 V267 S268R261-Q265 WeakPolarHBondContact CG-O 3.3Å; L262-Q265 PolarHBondContact O-N 3.44Å; L262-Q265 VanDerWaalsContact O-N 3.1Å; R263-Q265 HydrophobicContact CB-CG 4.42Å; R263-Q265 PolarHBondContact O-N 2.83Å; R263-Q265 VanDerWaalsContact O-N 3.16Å; Q265-V267 VanDerWaalsContact C-N 3.3Å; Q265-V267 PolarHBondContact O-N 3.15Å; Q265-S268 PolarHBondContact O-N 3.42Å; Q265-S268 PolarHBondContact O-OG 3.39Å
266T83.9Confident91.4Very high92 Ų9255.3 Ų55.356%0.56427%0.271SS*.G310 helixtrans-61.7-38.2-176.9-55.40000112.6S268 T269T266-S268 PolarHBondContact O-N 3.06Å; T266-T269 WeakPolarHBondContact O-CB 3.3Å; T266-T269 PolarHBondContact O-N 2.86Å; T266-T269 VanDerWaalsContact O-N 3.12Å; T266-T269 PolarHBondContact O-OG1 2.93Å
267V87.7Confident90.7Very high136 Ų13657.2 Ų57.282%0.82429%0.291SS*.G310 helixtrans-66.9-24.7-179.1-178.80000112.7Q265 T269 R270Q265-V267 VanDerWaalsContact C-N 3.3Å; Q265-V267 PolarHBondContact O-N 3.15Å; V267-T269 VanDerWaalsContact C-N 3.27Å; V267-T269 PolarHBondContact O-N 3.35Å; V267-R270 PolarHBondContact O-NH1 2.81Å
268S89.2Confident90.3Very high22 Ų2258.5 Ų58.515%0.15430%0.302CS..G310 helixtrans-84.6-0.5176.971.10000113.2L262 Q265 T266 R270L262-S268 PolarHBondContact N-OG 2.86Å; L262-S268 PolarHBondContact O-OG 3.04Å; Q265-S268 PolarHBondContact O-N 3.42Å; Q265-S268 PolarHBondContact O-OG 3.39Å; T266-S268 PolarHBondContact O-N 3.06Å; S268-R270 PolarHBondContact O-N 2.9Å
269T94.9Very high90.1Very high6 Ų660 Ų604%0.03731%0.309CS..EExtended strand (participates in β ladder)trans-64128.4-178.9-48.20000109.7F259 N260 R261 T266 V267 Y271F259-T269 HydrophobicContact CB-CG2 4.28Å; F259-T269 HydrophobicContact CD2-CG2 4.08Å; N260-T269 VanDerWaalsContact O-CA 3.32Å; N260-T269 WeakPolarHBondContact O-CA 3.22Å; R261-T269 PolarHBondContact NE-OG1 2.92Å; T266-T269 WeakPolarHBondContact O-CB 3.3Å; T266-T269 PolarHBondContact O-N 2.86Å; T266-T269 VanDerWaalsContact O-N 3.12Å; T266-T269 PolarHBondContact O-OG1 2.93Å; V267-T269 VanDerWaalsContact C-N 3.27Å; V267-T269 PolarHBondContact O-N 3.35Å; T269-Y271 HydrophobicContact CG2-CE1 3.85Å; T269-Y271 HydrophobicContact CG2-CE2 4.07Å
270R96.4Very high89.9Confident54 Ų5461.9 Ų61.920%0.20432%0.319CS..EExtended strand (participates in β ladder)trans-126.6133.4172.2-66.8-62-176.3-82.4-1.8109F259 N260 V267 S268 A281 S282 L369 D372F259-R270 CarbonylContact C-O 3.51Å; F259-R270 VanDerWaalsContact CA-O 3.23Å; F259-R270 WeakPolarHBondContact CA-O 3.49Å; F259-R270 WeakPolarHBondContact CB-O 3.44Å; N260-R270 PolarHBondContact N-O 3.42Å; N260-R270 PolarHBondContact O-N 2.87Å; V267-R270 PolarHBondContact O-NH1 2.81Å; S268-R270 PolarHBondContact O-N 2.9Å; R270-A281 HydrophobicContact CB-CB 4.17Å; R270-S282 WeakPolarHBondContact CA-O 3.5Å; R270-L369 HydrophobicContact CB-CD2 3.66Å; R270-L369 HydrophobicContact CG-CD2 3.89Å; R270-D372 IonicContact CZ-OD1 3.22Å; R270-D372 IonicContact NE-OD1 3.01Å; R270-D372 PolarHBondContact NE-OD1 3.41Å; R270-D372 IonicContact NH2-OD1 3.63Å; R270-D372 PolarHBondContact NH2-OD1 2.9Å
271Y97.2Very high89.9Confident19 Ų1961.8 Ų61.88%0.07532%0.319CS..EExtended strand (participates in β ladder)trans-102.5140.1178.1-52.2-84.9000109P130 P131 L258 F259 T269 S273 A281 S282 Q285 W286P130-Y271 HydrophobicContact CB-CD1 3.96Å; P130-Y271 HydrophobicContact CB-CE1 3.7Å; P131-Y271 VanDerWaalsContact CD-OH 3.26Å; P131-Y271 WeakPolarHBondContact CD-OH 3.21Å; L258-Y271 WeakPolarHBondContact O-CA 3.46Å; F259-Y271 HydrophobicContact CB-CD1 3.53Å; F259-Y271 HydrophobicContact CB-CE1 3.86Å; F259-Y271 HydrophobicContact CB-CG 4.36Å; F259-Y271 HydrophobicContact CG-CD1 4.37Å; F259-Y271 HydrophobicContact CG-CE1 4.3Å; T269-Y271 HydrophobicContact CG2-CE1 3.85Å; T269-Y271 HydrophobicContact CG2-CE2 4.07Å; Y271-S273 PolarHBondContact O-N 2.85Å; Y271-A281 CarbonylContact O-C 3.59Å; Y271-A281 WeakPolarHBondContact O-CA 3.31Å; Y271-S282 WeakPolarHBondContact CD2-O 3.01Å; Y271-S282 PolarHBondContact N-O 2.85Å; Y271-S282 PolarHBondContact O-N 3.35Å; Y271-Q285 WeakPolarHBondContact CB-O 3.3Å; Y271-W286 VanDerWaalsContact CB-CB 3.43Å; Y271-W286 HydrophobicContact CD1-CB 3.92Å; Y271-W286 HydrophobicContact CD2-CB 4.35Å; Y271-W286 HydrophobicContact CG-CB 3.65Å
272L97.3Very high90Very high0 Ų058.9 Ų58.90%031%0.31CS..EExtended strand (participates in β ladder)trans-64.2128.7166.2-174.268.2000108.3L258 F279 T287 F289 L328 I374 W397L258-L272 HydrophobicContact CB-CB 3.96Å; L258-L272 HydrophobicContact CB-CD2 4.32Å; L258-L272 HydrophobicContact CD1-CD2 3.75Å; L258-L272 HydrophobicContact CG-CD2 4.48Å; L258-L272 PolarHBondContact O-N 2.86Å; L272-F279 HydrophobicContact CD1-CD1 4.43Å; L272-T287 PolarHBondContact O-N 3.41Å; L272-F289 HydrophobicContact CB-CE2 4.1Å; L272-F289 HydrophobicContact CD2-CD2 4.3Å; L272-F289 HydrophobicContact CD2-CE2 3.71Å; L272-F289 HydrophobicContact CD2-CZ 3.86Å; L272-F289 HydrophobicContact CG-CE2 3.78Å; L272-F289 HydrophobicContact CG-CZ 3.81Å; L272-L328 HydrophobicContact CD2-CD1 3.94Å; L272-I374 HydrophobicContact CD1-CD1 3.64Å; L272-I374 HydrophobicContact CD1-CG1 3.77Å; L272-W397 HydrophobicContact CB-CH2 4.45Å; L272-W397 HydrophobicContact CB-CZ3 4.04Å; L272-W397 HydrophobicContact CD1-CH2 4.45Å
273S95.4Very high90.3Very high4 Ų458 Ų583%0.02831%0.312CS..EExtended strand (participates in β ladder)trans-142.7161.3-178.2-162.80000109.7Y271 I280 T287Y271-S273 PolarHBondContact O-N 2.85Å; S273-I280 PolarHBondContact N-O 3.18Å; S273-I280 PolarHBondContact O-N 3.36Å; S273-I280 VanDerWaalsContact O-O 3.11Å; S273-T287 VanDerWaalsContact CA-OG1 3.31Å; S273-T287 WeakPolarHBondContact CA-OG1 3.33Å; S273-T287 PolarHBondContact OG-OG1 2.73Å; S273-T287 VanDerWaalsContact OG-OG1 3.08Å
274V92.5Very high90.6Very high24 Ų2455.3 Ų55.315%0.14530%0.302CS..EExtended strand (participates in β ladder)trans-112.5129.4169.7-177.90000108.7A278 F279 T287 F289 C321V274-A278 WeakPolarHBondContact CA-O 3.37Å; V274-F279 HydrophobicContact CG2-CD1 3.8Å; V274-F279 HydrophobicContact CG2-CE1 3.7Å; V274-F279 HydrophobicContact CG2-CZ 4.46Å; V274-T287 HydrophobicContact CG2-CG2 4.43Å; V274-T287 PolarHBondContact N-OG1 3.46Å; V274-F289 HydrophobicContact CG2-CE1 3.77Å; V274-F289 HydrophobicContact CG2-CZ 3.97Å; V274-C321 HydrophobicContact CG2-CB 3.92Å
275D88.5Confident91.1Very high77 Ų7752.7 Ų52.741%0.41228%0.279SS..EExtended strand (participates in β ladder)trans-130.1129.6169.9-177.636.7000109G277 A278 I280D275-G277 PolarHBondContact O-N 3.48Å; D275-G277 VanDerWaalsContact O-N 3.08Å; D275-A278 PolarHBondContact N-O 3.32Å; D275-A278 PolarHBondContact O-N 2.89Å; D275-I280 HydrophobicContact CB-CD1 3.62Å; D275-I280 HydrophobicContact CB-CG1 4.17Å
276R83.7Confident91.7Very high193 Ų19348.2 Ų48.273%0.72826%0.258SS*.THydrogen-bonded Turntrans48.436.5-178.8-55.6178.2-170.3-111.99114.4N186 A278N186-R276 PolarHBondContact ND2-NH2 3.47Å; N186-R276 PolarHBondContact OD1-NH2 2.82Å; R276-A278 VanDerWaalsContact C-N 3.25Å; R276-A278 PolarHBondContact O-N 3.35Å
277G84.4Confident92.3Very high41 Ų4144.4 Ų44.442%0.42324%0.235SC..THydrogen-bonded Turntrans77.32.8-17900000115.2D275D275-G277 PolarHBondContact O-N 3.48Å; D275-G277 VanDerWaalsContact O-N 3.08Å
278A90.3Very high92.7Very high28 Ų2838 Ų3823%0.23120%0.196CC..EExtended strand (participates in β ladder)trans-103.8142.8173.800000111.1T62 V274 D275 R276T62-A278 HydrophobicContact CG2-CB 4.07Å; V274-A278 WeakPolarHBondContact CA-O 3.37Å; D275-A278 PolarHBondContact N-O 3.32Å; D275-A278 PolarHBondContact O-N 2.89Å; R276-A278 VanDerWaalsContact C-N 3.25Å; R276-A278 PolarHBondContact O-N 3.35Å
279F93.1Very high93.2Very high33 Ų3337 Ų3715%0.14519%0.189CC..EExtended strand (participates in β ladder)trans-77.3125.1172.9-66.9-83.3000110.3L272 V274 F289 V326 L328 I374L272-F279 HydrophobicContact CD1-CD1 4.43Å; V274-F279 HydrophobicContact CG2-CD1 3.8Å; V274-F279 HydrophobicContact CG2-CE1 3.7Å; V274-F279 HydrophobicContact CG2-CZ 4.46Å; F279-F289 HydrophobicContact CD1-CE1 4.37Å; F279-F289 AromaticContact CE1-CE1 3.79Å; F279-F289 HydrophobicContact CE1-CE1 3.79Å; F279-F289 HydrophobicContact CE1-CZ 4.38Å; F279-V326 HydrophobicContact CE2-CG1 3.66Å; F279-V326 HydrophobicContact CZ-CG1 3.79Å; F279-L328 HydrophobicContact CD1-CD1 4.34Å; F279-L328 HydrophobicContact CD1-CD2 3.84Å; F279-L328 HydrophobicContact CD1-CG 3.94Å; F279-L328 HydrophobicContact CD2-CD2 3.59Å; F279-L328 HydrophobicContact CD2-CG 4.32Å; F279-L328 HydrophobicContact CE1-CD1 4.18Å; F279-L328 HydrophobicContact CE1-CD2 3.87Å; F279-L328 HydrophobicContact CE1-CG 3.55Å; F279-L328 HydrophobicContact CE2-CD2 3.62Å; F279-L328 HydrophobicContact CE2-CG 3.96Å; F279-L328 HydrophobicContact CG-CD2 3.71Å; F279-L328 HydrophobicContact CG-CG 4.32Å; F279-L328 HydrophobicContact CZ-CB 4.36Å; F279-L328 HydrophobicContact CZ-CD2 3.78Å; F279-L328 HydrophobicContact CZ-CG 3.57Å; F279-I374 HydrophobicContact CB-CB 4.28Å; F279-I374 HydrophobicContact CB-CG1 4.21Å; F279-I374 HydrophobicContact CB-CG2 4.45Å
280I93.9Very high93.3Very high49 Ų4938.2 Ų38.225%0.25120%0.197SC..EExtended strand (participates in β ladder)trans-128.4166.3-179.965.3162000110.4S273 D275S273-I280 PolarHBondContact N-O 3.18Å; S273-I280 PolarHBondContact O-N 3.36Å; S273-I280 VanDerWaalsContact O-O 3.11Å; D275-I280 HydrophobicContact CB-CD1 3.62Å; D275-I280 HydrophobicContact CB-CG1 4.17Å
281A94.3Very high93.3Very high4 Ų435.7 Ų35.73%0.03319%0.187CC..EExtended strand (participates in β ladder)trans-110.9108.9169.500000109.9R270 Y271 L369 D372 I374R270-A281 HydrophobicContact CB-CB 4.17Å; Y271-A281 CarbonylContact O-C 3.59Å; Y271-A281 WeakPolarHBondContact O-CA 3.31Å; A281-L369 HydrophobicContact CB-CD1 3.1Å; A281-L369 HydrophobicContact CB-CG 4.43Å; A281-D372 PolarHBondContact N-O 3.12Å; A281-D372 VanDerWaalsContact N-O 3.12Å; A281-I374 HydrophobicContact CB-CD1 3.91Å
282S93.9Very high93.3Very high17 Ų1735.1 Ų35.112%0.11919%0.185CC..EExtended strand (participates in β ladder)trans-101.9140.3-174-178.20000111.6R270 Y271 R284 Q285R270-S282 WeakPolarHBondContact CA-O 3.5Å; Y271-S282 WeakPolarHBondContact CD2-O 3.01Å; Y271-S282 PolarHBondContact N-O 2.85Å; Y271-S282 PolarHBondContact O-N 3.35Å; S282-R284 PolarHBondContact OG-N 2.87Å; S282-Q285 VanDerWaalsContact CB-O 3.29Å; S282-Q285 WeakPolarHBondContact CB-O 3.24Å; S282-Q285 PolarHBondContact OG-N 2.76Å
283A92.1Very high93.1Very high46 Ų4636.2 Ų36.238%0.3819%0.191SC..SBendtrans-86.6-9.5170.100000112.8
284R89.4Confident92.8Very high125 Ų12537.5 Ų37.547%0.47220%0.198SC..SBendtrans-114.1-44.1-172.6-67.3-176.867.9-170.43.3113D182 S282D182-R284 IonicContact OD2-NH2 2.96Å; D182-R284 PolarHBondContact OD2-NH2 3.13Å; S282-R284 PolarHBondContact OG-N 2.87Å
285Q91.8Very high92.1Very high40 Ų4040.1 Ų40.119%0.18721%0.212CC..  trans-115.2159.1-173.4-76.2165.8-15.900109.8F191 Y271 S282F191-Q285 HydrophobicContact CD1-CG 4.34Å; F191-Q285 HydrophobicContact CE1-CG 3.73Å; F191-Q285 HydrophobicContact CE2-CG 3.93Å; F191-Q285 HydrophobicContact CZ-CG 3.49Å; F191-Q285 VanDerWaalsContact CZ-CG 3.49Å; Y271-Q285 WeakPolarHBondContact CB-O 3.3Å; S282-Q285 VanDerWaalsContact CB-O 3.29Å; S282-Q285 WeakPolarHBondContact CB-O 3.24Å; S282-Q285 PolarHBondContact OG-N 2.76Å
286W95.8Very high90.6Very high2 Ų241.2 Ų41.21%0.00822%0.217CC..  trans-143.1147.3173.858.3-87.7000107.4L112 P130 P131 A257 Y271 A288 V402L112-W286 HydrophobicContact CB-CH2 3.48Å; L112-W286 VanDerWaalsContact CB-CH2 3.48Å; L112-W286 HydrophobicContact CB-CZ2 3.63Å; L112-W286 HydrophobicContact CB-CZ3 4.28Å; L112-W286 HydrophobicContact CD2-CH2 4.27Å; L112-W286 HydrophobicContact CD2-CZ3 4.28Å; L112-W286 HydrophobicContact CG-CH2 4.49Å; P130-W286 HydrophobicContact CB-CB 4.45Å; P130-W286 HydrophobicContact CB-CD2 3.66Å; P130-W286 HydrophobicContact CB-CE3 4.33Å; P130-W286 HydrophobicContact CB-CG 3.71Å; P130-W286 HydrophobicContact CB-CZ2 4.14Å; P130-W286 HydrophobicContact CG-CD2 3.88Å; P130-W286 HydrophobicContact CG-CE3 4.08Å; P130-W286 HydrophobicContact CG-CG 4.42Å; P130-W286 HydrophobicContact CG-CH2 4.06Å; P130-W286 HydrophobicContact CG-CZ2 3.89Å; P130-W286 HydrophobicContact CG-CZ3 4.18Å; P131-W286 PolarHBondContact O-NE1 3.14Å; A257-W286 HydrophobicContact CB-CE3 3.8Å; A257-W286 HydrophobicContact CB-CZ3 4.08Å; Y271-W286 VanDerWaalsContact CB-CB 3.43Å; Y271-W286 HydrophobicContact CD1-CB 3.92Å; Y271-W286 HydrophobicContact CD2-CB 4.35Å; Y271-W286 HydrophobicContact CG-CB 3.65Å; W286-A288 HydrophobicContact CZ3-CB 4.47Å; W286-V402 HydrophobicContact CH2-CB 4.07Å; W286-V402 HydrophobicContact CH2-CG1 3.95Å; W286-V402 HydrophobicContact CZ3-CB 3.92Å; W286-V402 HydrophobicContact CZ3-CG1 3.7Å; W286-V402 HydrophobicContact CZ3-CG2 4.05Å
287T95.7Very high89.1Confident13 Ų1339.1 Ų39.18%0.0822%0.216CC..  trans-107.8141.1-179.6-61.10000109.3L272 S273 V274 F289 C321L272-T287 PolarHBondContact O-N 3.41Å; S273-T287 VanDerWaalsContact CA-OG1 3.31Å; S273-T287 WeakPolarHBondContact CA-OG1 3.33Å; S273-T287 PolarHBondContact OG-OG1 2.73Å; S273-T287 VanDerWaalsContact OG-OG1 3.08Å; V274-T287 HydrophobicContact CG2-CG2 4.43Å; V274-T287 PolarHBondContact N-OG1 3.46Å; T287-F289 HydrophobicContact CG2-CE1 3.98Å; T287-F289 HydrophobicContact CG2-CE2 4.08Å; T287-F289 HydrophobicContact CG2-CZ 3.77Å; T287-F289 VanDerWaalsContact O-CD2 3.29Å; T287-F289 WeakPolarHBondContact O-CD2 3.28Å; T287-F289 WeakPolarHBondContact O-CE2 3.48Å; T287-C321 HydrophobicContact CG2-CB 4.39Å; T287-C321 WeakPolarHBondContact CG2-SG 3.32Å
288A97.6Very high87.2Confident1 Ų147.9 Ų47.91%0.00824%0.236CC..  trans-80.2131.4167.800000109.1W286 T322 V402 V404W286-A288 HydrophobicContact CZ3-CB 4.47Å; A288-T322 HydrophobicContact CB-CG2 4.13Å; A288-T322 WeakPolarHBondContact O-CG2 3.47Å; A288-T322 PolarHBondContact O-N 3.24Å; A288-T322 VanDerWaalsContact O-N 3.09Å; A288-T322 PolarHBondContact O-OG1 2.92Å; A288-T322 VanDerWaalsContact O-OG1 3.09Å; A288-V402 HydrophobicContact CB-CG2 3.84Å; A288-V404 HydrophobicContact CB-CG2 3.88Å
289F98.1Very high84.8Confident0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-116.3130.1176.8-62.6-83.1000109.5K255 V256 L272 V274 F279 T287 I291 F319 I320 C321K255-F289 CarbonylContact C-O 3.56Å; K255-F289 VanDerWaalsContact CA-O 3.32Å; K255-F289 WeakPolarHBondContact CA-O 3.49Å; V256-F289 HydrophobicContact CG2-CB 4.5Å; V256-F289 PolarHBondContact N-O 3.38Å; V256-F289 PolarHBondContact O-N 2.87Å; L272-F289 HydrophobicContact CB-CE2 4.1Å; L272-F289 HydrophobicContact CD2-CD2 4.3Å; L272-F289 HydrophobicContact CD2-CE2 3.71Å; L272-F289 HydrophobicContact CD2-CZ 3.86Å; L272-F289 HydrophobicContact CG-CE2 3.78Å; L272-F289 HydrophobicContact CG-CZ 3.81Å; V274-F289 HydrophobicContact CG2-CE1 3.77Å; V274-F289 HydrophobicContact CG2-CZ 3.97Å; F279-F289 HydrophobicContact CD1-CE1 4.37Å; F279-F289 AromaticContact CE1-CE1 3.79Å; F279-F289 HydrophobicContact CE1-CE1 3.79Å; F279-F289 HydrophobicContact CE1-CZ 4.38Å; T287-F289 HydrophobicContact CG2-CE1 3.98Å; T287-F289 HydrophobicContact CG2-CE2 4.08Å; T287-F289 HydrophobicContact CG2-CZ 3.77Å; T287-F289 VanDerWaalsContact O-CD2 3.29Å; T287-F289 WeakPolarHBondContact O-CD2 3.28Å; T287-F289 WeakPolarHBondContact O-CE2 3.48Å; F289-I291 PolarHBondContact O-N 2.87Å; F289-F319 HydrophobicContact CB-CB 4.16Å; F289-F319 HydrophobicContact CB-CD1 3.95Å; F289-F319 HydrophobicContact CD1-CB 4.3Å; F289-F319 HydrophobicContact CG-CB 4.38Å; F289-I320 CarbonylContact C-O 3.52Å; F289-I320 VanDerWaalsContact CA-O 3.26Å; F289-I320 WeakPolarHBondContact CA-O 3.16Å; F289-C321 HydrophobicContact CD1-CB 4.21Å; F289-C321 HydrophobicContact CE1-CB 4.03Å
290T97.7Very high82.2Confident33 Ų3356.6 Ų56.620%0.20229%0.286CS..EExtended strand (participates in β ladder)trans-71.8120.3164.1-57.10000107.6S254 I292 I320S254-T290 WeakPolarHBondContact O-CA 3.26Å; T290-I292 HydrophobicContact CG2-CG2 4.08Å; T290-I320 PolarHBondContact N-O 2.78Å; T290-I320 PolarHBondContact O-N 2.84Å
291I97.3Very high79.7Confident0 Ų061.9 Ų61.90%031%0.309CS..EExtended strand (participates in β ladder)trans-96.1120.1175.5-172172.6000109I250 G253 S254 V256 F289 I311 V317 Q318 F319 I399I250-I291 HydrophobicContact CG2-CG2 3.91Å; G253-I291 PolarHBondContact N-O 3.14Å; S254-I291 WeakPolarHBondContact O-CG2 3.44Å; S254-I291 PolarHBondContact O-N 3.09Å; V256-I291 HydrophobicContact CG1-CG2 3.77Å; V256-I291 HydrophobicContact CG2-CB 3.89Å; V256-I291 HydrophobicContact CG2-CG2 3.95Å; F289-I291 PolarHBondContact O-N 2.87Å; I291-I311 HydrophobicContact CB-CD1 4.18Å; I291-I311 HydrophobicContact CD1-CD1 3.45Å; I291-I311 VanDerWaalsContact CD1-CD1 3.45Å; I291-I311 HydrophobicContact CG1-CD1 3.53Å; I291-I311 HydrophobicContact CG2-CD1 3.66Å; I291-V317 HydrophobicContact CD1-CB 4.13Å; I291-V317 HydrophobicContact CD1-CG1 4.18Å; I291-V317 HydrophobicContact CD1-CG2 4.27Å; I291-V317 HydrophobicContact CG1-CB 4.01Å; I291-V317 HydrophobicContact CG1-CG1 4.28Å; I291-Q318 WeakPolarHBondContact CA-O 3.36Å; I291-F319 HydrophobicContact CB-CD1 4.28Å; I291-F319 HydrophobicContact CB-CE1 4.16Å; I291-F319 HydrophobicContact CD1-CD1 4.48Å; I291-F319 HydrophobicContact CD1-CE1 3.63Å; I291-F319 HydrophobicContact CD1-CZ 3.62Å; I291-F319 HydrophobicContact CG1-CD1 4.32Å; I291-F319 HydrophobicContact CG1-CE1 3.94Å; I291-F319 HydrophobicContact CG1-CZ 4.17Å; I291-I399 HydrophobicContact CD1-CD1 4.15Å
292I95.6Very high77.1Confident8 Ų866.5 Ų66.54%0.04136%0.357CS..EExtended strand (participates in β ladder)trans-115.2138.8178.756.2167.9000110.1T290 I304 L306 V317 Q318 I320T290-I292 HydrophobicContact CG2-CG2 4.08Å; I292-I304 HydrophobicContact CD1-CG2 4.15Å; I292-L306 HydrophobicContact CG2-CD2 4.2Å; I292-V317 CarbonylContact O-C 3.57Å; I292-V317 VanDerWaalsContact O-CA 3.23Å; I292-V317 WeakPolarHBondContact O-CA 3.32Å; I292-Q318 HydrophobicContact CD1-CB 4.09Å; I292-Q318 HydrophobicContact CG1-CB 3.75Å; I292-Q318 WeakPolarHBondContact CG1-O 3.33Å; I292-Q318 PolarHBondContact N-O 2.84Å; I292-Q318 PolarHBondContact O-N 3.17Å; I292-I320 HydrophobicContact CD1-CD1 3.61Å; I292-I320 HydrophobicContact CD1-CG1 4.46Å; I292-I320 HydrophobicContact CG1-CD1 4.19Å
293M93.3Very high74.5Confident22 Ų2268.2 Ų68.211%0.10838%0.377CS..EExtended strand (participates in β ladder)trans-77.2131.9166.8-65.8-171.3-52.800108.9S252 S307 I311S252-M293 PolarHBondContact OG-N 3.01Å; M293-S307 WeakPolarHBondContact CE-O 3.31Å; M293-I311 HydrophobicContact CG-CD1 4.36Å; M293-I311 HydrophobicContact CG-CG1 3.75Å; M293-I311 HydrophobicContact SD-CB 4.39Å; M293-I311 HydrophobicContact SD-CG1 3.92Å
294V89.3Confident72.5Confident32 Ų3270.9 Ų70.919%0.19438%0.384CS..BIsolated β-bridgetrans-102.8118.1177.4-176.60000107.4V316 Q318V294-V316 HydrophobicContact CB-CB 4.42Å; V294-V316 HydrophobicContact CB-CG1 4.01Å; V294-V316 PolarHBondContact N-O 2.81Å; V294-Q318 HydrophobicContact CG2-CB 3.85Å
295D78.4Confident70.6Confident79 Ų7968.8 Ų68.842%0.42239%0.385SS..PPolyproline II helixtrans-74143.4174.3-162.1-7.8000110.3Q297D295-Q297 VanDerWaalsContact C-N 3.27Å; D295-Q297 PolarHBondContact OD1-N 3.26Å
296D57.7Low68.9Low99 Ų9972.6 Ų72.653%0.52941%0.406SS..SBendtrans-78.2-16.4175.9-79-14000112.2R298 R360D296-R298 VanDerWaalsContact C-N 3.31Å; D296-R298 PolarHBondContact O-N 2.75Å; D296-R360 IonicContact OD1-CZ 3.67Å; D296-R360 IonicContact OD1-NH1 3.01Å; D296-R360 PolarHBondContact OD1-NH1 2.8Å; D296-R360 IonicContact OD1-NH2 3.16Å; D296-R360 PolarHBondContact OD1-NH2 2.99Å
297Q50.9Low67.3Low150 Ų15074.8 Ų74.870%0.70142%0.422SS*.  trans-74.282.5172.5-62-76.40.800109.8D295 S299D295-Q297 VanDerWaalsContact C-N 3.27Å; D295-Q297 PolarHBondContact OD1-N 3.26Å; Q297-S299 PolarHBondContact O-N 3.09Å
298R45.7Very low66.1Low225 Ų22583.1 Ų83.185%0.84946%0.46SS*.  trans-57.9105.7161.3-72.2179.6178.5178.5-0.5107.9D296D296-R298 VanDerWaalsContact C-N 3.31Å; D296-R298 PolarHBondContact O-N 2.75Å
299S38.3Very low65.6Low69 Ų6984.7 Ų84.748%0.48348%0.476SS..  trans-68.2135.7150.563.30000106.7Q297 Q301Q297-S299 PolarHBondContact O-N 3.09Å; S299-Q301 PolarHBondContact O-N 3.09Å
300D38.8Very low65.4Low174 Ų17487.7 Ų87.793%0.9349%0.489SS*.SBendtrans-60.812.1-179.8-95.4-25.9000114.5
301Q40.9Very low65.2Low161 Ų16186.2 Ų86.275%0.75248%0.48SS*.SBendtrans-114.7112.8174.6-62.5-179.325.500106.4S299 G303S299-Q301 PolarHBondContact O-N 3.09Å; Q301-G303 PolarHBondContact O-N 2.9Å
302G39.8Very low65.1Low101 Ų10187.1 Ų87.1100%1.04149%0.486SS*.  trans-56.948.1-17200000118.3
303G41.2Very low65.1Low52 Ų5287 Ų8754%0.53649%0.485SS..  trans-112.6132.5173.300000110.7Q301 V305Q301-G303 PolarHBondContact O-N 2.9Å; G303-V305 PolarHBondContact O-N 3.06Å
304I50Low65.1Low102 Ų10287.6 Ų87.652%0.52350%0.497SS..  trans-69.5109171.7-62.6167.1000107.2I292 L306I292-I304 HydrophobicContact CD1-CG2 4.15Å; I304-L306 PolarHBondContact O-N 3.15Å
305V49Very low65.4Low82 Ų8287.5 Ų87.550%0.49750%0.498SS..  trans-69.5115.2171179.90000107.6G303 S307G303-V305 PolarHBondContact O-N 3.06Å; V305-S307 PolarHBondContact O-N 2.88Å; V305-S307 VanDerWaalsContact O-N 3.08Å
306L56.8Low66.2Low120 Ų12084.6 Ų84.663%0.62848%0.483SS*.BIsolated β-bridgetrans-71.6101.8176.1-67.7172.8000108.8I292 I304 E308I292-L306 HydrophobicContact CG2-CD2 4.2Å; I304-L306 PolarHBondContact O-N 3.15Å; L306-E308 PolarHBondContact O-N 3.04Å
307S60.2Low68Low47 Ų4779.9 Ų79.933%0.32946%0.457SS..  trans-75.2110.9172.2-157.50000108.9S252 M293 V305S252-S307 WeakPolarHBondContact CB-O 3.28Å; S252-S307 PolarHBondContact OG-O 2.86Å; M293-S307 WeakPolarHBondContact CE-O 3.31Å; V305-S307 PolarHBondContact O-N 2.88Å; V305-S307 VanDerWaalsContact O-N 3.08Å
308E72.3Confident70.2Confident189 Ų18974.3 Ų74.388%0.88343%0.432SS*.  trans-75.2125.7174.3-66.8-172.4169.500109.9L306L306-E308 PolarHBondContact O-N 3.04Å
309G86.4Confident72.6Confident33 Ų3363.6 Ų63.634%0.3439%0.391SS..SBendtrans162173.7179.800000114.6S251 S252S251-G309 WeakPolarHBondContact CA-O 3.42Å; S252-G309 PolarHBondContact N-O 2.94Å
310F93.2Very high75.4Confident64 Ų6462.6 Ų62.628%0.28138%0.38SS..BIsolated β-bridgetrans-76.7139.3171-64.3-63.2000110.6M243 A246 C249 S251 C312M243-F310 HydrophobicContact CB-CD2 4.29Å; M243-F310 HydrophobicContact CB-CE2 4.44Å; M243-F310 HydrophobicContact CG-CD2 4.1Å; M243-F310 HydrophobicContact SD-CD2 4.36Å; A246-F310 HydrophobicContact CB-CE1 4.23Å; A246-F310 HydrophobicContact CB-CZ 3.63Å; C249-F310 HydrophobicContact CB-CD1 3.33Å; C249-F310 HydrophobicContact CB-CE1 3.61Å; C249-F310 HydrophobicContact CB-CG 4Å; C249-F310 HydrophobicContact CB-CZ 4.47Å; S251-F310 WeakPolarHBondContact OG-CD1 3.44Å; S251-F310 WeakPolarHBondContact OG-CE1 3.48Å; F310-C312 PolarHBondContact O-N 3.08Å
311I94.5Very high78.1Confident1 Ų154.5 Ų54.51%0.00534%0.337CS..PPolyproline II helixtrans-77.6120.2177.2-57.6-178.8000108.4I250 I291 M293 V317 I333 V349I250-I311 HydrophobicContact CG2-CD1 4.1Å; I250-I311 PolarHBondContact O-N 3.04Å; I291-I311 HydrophobicContact CB-CD1 4.18Å; I291-I311 HydrophobicContact CD1-CD1 3.45Å; I291-I311 VanDerWaalsContact CD1-CD1 3.45Å; I291-I311 HydrophobicContact CG1-CD1 3.53Å; I291-I311 HydrophobicContact CG2-CD1 3.66Å; M293-I311 HydrophobicContact CG-CD1 4.36Å; M293-I311 HydrophobicContact CG-CG1 3.75Å; M293-I311 HydrophobicContact SD-CB 4.39Å; M293-I311 HydrophobicContact SD-CG1 3.92Å; I311-V317 HydrophobicContact CD1-CG1 4.25Å; I311-V317 HydrophobicContact CG2-CG1 3.7Å; I311-I333 HydrophobicContact CG2-CG2 4.06Å; I311-V349 HydrophobicContact CG2-CG2 4.05Å; I311-V349 WeakPolarHBondContact O-CG2 3.2Å; I311-V349 PolarHBondContact O-N 3.14Å
312C95.1Very high80.6Confident20 Ų2049.5 Ų49.514%0.13532%0.318CS..BIsolated β-bridgetrans-98.4152.7172-69.70000111.1F310 S315 E347F310-C312 PolarHBondContact O-N 3.08Å; C312-S315 PolarHBondContact N-OG 2.89Å; C312-S315 WeakPolarHBondContact O-CB 3.45Å; C312-S315 PolarHBondContact O-N 3.03Å; C312-S315 VanDerWaalsContact O-N 3.14Å; C312-S315 PolarHBondContact O-OG 3Å; C312-E347 CarbonylContact C-O 3.52Å; C312-E347 VanDerWaalsContact CA-O 3.3Å; C312-E347 WeakPolarHBondContact CA-O 3.18Å
313Y95.9Very high82.9Confident5 Ų551.8 Ų51.82%0.0230%0.301CS..THydrogen-bonded Turntrans-57.1142.3166.1-68.9-70.1000110.6S315 I333 R334 K335 V345 E347 V349 H353 C355Y313-S315 VanDerWaalsContact C-N 3.32Å; Y313-I333 HydrophobicContact CD1-CG1 4.08Å; Y313-I333 HydrophobicContact CE1-CD1 4.5Å; Y313-I333 HydrophobicContact CE1-CG1 4.16Å; Y313-R334 VanDerWaalsContact CD1-C 3.46Å; Y313-K335 HydrophobicContact CD1-CB 3.72Å; Y313-K335 HydrophobicContact CD2-CB 3.99Å; Y313-K335 HydrophobicContact CD2-CD 4.23Å; Y313-K335 HydrophobicContact CD2-CG 4.42Å; Y313-K335 VanDerWaalsContact CE1-CA 3.42Å; Y313-K335 HydrophobicContact CE1-CB 3.69Å; Y313-K335 HydrophobicContact CE1-CG 4.24Å; Y313-K335 HydrophobicContact CE2-CB 3.98Å; Y313-K335 HydrophobicContact CE2-CD 3.92Å; Y313-K335 HydrophobicContact CE2-CG 4Å; Y313-K335 HydrophobicContact CG-CB 3.85Å; Y313-V345 CarbonylContact C-O 3.5Å; Y313-V345 VanDerWaalsContact C-O 3.31Å; Y313-V345 VanDerWaalsContact CB-O 3.23Å; Y313-V345 WeakPolarHBondContact CB-O 3.3Å; Y313-V345 HydrophobicContact CD2-CG1 3.93Å; Y313-V345 HydrophobicContact CG-CG1 4.22Å; Y313-E347 HydrophobicContact CD2-CG 3.59Å; Y313-E347 VanDerWaalsContact CD2-O 3.32Å; Y313-E347 WeakPolarHBondContact CD2-O 3.47Å; Y313-E347 HydrophobicContact CE2-CG 3.99Å; Y313-E347 PolarHBondContact N-O 2.8Å; Y313-V349 HydrophobicContact CD1-CG2 4.05Å; Y313-V349 HydrophobicContact CD2-CG2 4.26Å; Y313-V349 HydrophobicContact CE1-CG2 3.98Å; Y313-V349 HydrophobicContact CE2-CG2 4.19Å; Y313-V349 HydrophobicContact CG-CG2 4.21Å; Y313-H353 AromaticContact CE2-ND1 3.86Å; Y313-H353 AromaticContact CZ-ND1 3.84Å; Y313-H353 WeakPolarHBondContact OH-CB 3.26Å; Y313-H353 PolarHBondContact OH-ND1 3.03Å; Y313-C355 HydrophobicContact CE1-CB 4.08Å
314G93.6Very high85.3Confident35 Ų3552.1 Ų52.136%0.36130%0.295SS..THydrogen-bonded Turntrans88.9-12.9-171.500000114.6V332 I333G314-V332 WeakPolarHBondContact O-CG1 3.45Å; G314-I333 PolarHBondContact N-O 3.34Å
315S94.3Very high87.3Confident30 Ų3049.6 Ų49.621%0.2129%0.294CS..  trans-71.7147.8175.7-49.10000111.9C312 Y313 V332 I333C312-S315 PolarHBondContact N-OG 2.89Å; C312-S315 WeakPolarHBondContact O-CB 3.45Å; C312-S315 PolarHBondContact O-N 3.03Å; C312-S315 VanDerWaalsContact O-N 3.14Å; C312-S315 PolarHBondContact O-OG 3Å; Y313-S315 VanDerWaalsContact C-N 3.32Å; S315-V332 WeakPolarHBondContact O-CA 3.29Å; S315-I333 PolarHBondContact O-N 3Å; S315-I333 VanDerWaalsContact O-N 3.13Å
316V95.3Very high89.4Confident17 Ų1748 Ų4810%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-81.2124.1167.9-174.70000108.6V294 P330 V332V294-V316 HydrophobicContact CB-CB 4.42Å; V294-V316 HydrophobicContact CB-CG1 4.01Å; V294-V316 PolarHBondContact N-O 2.81Å; V316-P330 HydrophobicContact CG1-CB 3.87Å; V316-V332 HydrophobicContact CG2-CG2 4.22Å
317V96.1Very high91.2Very high0 Ų044.1 Ų44.10%027%0.27CS..EExtended strand (participates in β ladder)trans-126151-179.8-62.20000111.4I291 I292 I311 F319 M331 I333I291-V317 HydrophobicContact CD1-CB 4.13Å; I291-V317 HydrophobicContact CD1-CG1 4.18Å; I291-V317 HydrophobicContact CD1-CG2 4.27Å; I291-V317 HydrophobicContact CG1-CB 4.01Å; I291-V317 HydrophobicContact CG1-CG1 4.28Å; I292-V317 CarbonylContact O-C 3.57Å; I292-V317 VanDerWaalsContact O-CA 3.23Å; I292-V317 WeakPolarHBondContact O-CA 3.32Å; I311-V317 HydrophobicContact CD1-CG1 4.25Å; I311-V317 HydrophobicContact CG2-CG1 3.7Å; V317-F319 HydrophobicContact CG2-CE2 3.89Å; V317-F319 HydrophobicContact CG2-CZ 4.3Å; V317-M331 WeakPolarHBondContact CG2-O 3.34Å; V317-M331 PolarHBondContact N-O 3.32Å; V317-M331 PolarHBondContact O-N 2.91Å; V317-I333 HydrophobicContact CG1-CG2 4.25Å; V317-I333 HydrophobicContact CG2-CB 4.15Å; V317-I333 HydrophobicContact CG2-CG2 4.44Å
318Q96.2Very high92.9Very high34 Ų3442 Ų4216%0.15926%0.255CS..EExtended strand (participates in β ladder)trans-125.1139.6171.2-162.8178.117.900110I291 I292 V294 A327 L328I291-Q318 WeakPolarHBondContact CA-O 3.36Å; I292-Q318 HydrophobicContact CD1-CB 4.09Å; I292-Q318 HydrophobicContact CG1-CB 3.75Å; I292-Q318 WeakPolarHBondContact CG1-O 3.33Å; I292-Q318 PolarHBondContact N-O 2.84Å; I292-Q318 PolarHBondContact O-N 3.17Å; V294-Q318 HydrophobicContact CG2-CB 3.85Å; Q318-A327 HydrophobicContact CG-CB 4.45Å; Q318-L328 WeakPolarHBondContact CG-O 3.33Å; Q318-L328 PolarHBondContact NE2-O 2.97Å; Q318-L328 VanDerWaalsContact NE2-O 3.16Å
319F97.1Very high94Very high0 Ų035.2 Ų35.20%023%0.227CC..EExtended strand (participates in β ladder)trans-105.4123.9177.4-65.9-90.2000109.4V256 L258 F289 I291 V317 A327 L328 M331 F357V256-F319 HydrophobicContact CG2-CD1 4.03Å; V256-F319 HydrophobicContact CG2-CE1 3.7Å; L258-F319 HydrophobicContact CD1-CD1 4.26Å; L258-F319 HydrophobicContact CD1-CE1 3.83Å; L258-F319 HydrophobicContact CD1-CE2 4.43Å; L258-F319 HydrophobicContact CD1-CZ 3.95Å; L258-F319 HydrophobicContact CD2-CE1 4.42Å; L258-F319 HydrophobicContact CG-CE1 4.29Å; F289-F319 HydrophobicContact CB-CB 4.16Å; F289-F319 HydrophobicContact CB-CD1 3.95Å; F289-F319 HydrophobicContact CD1-CB 4.3Å; F289-F319 HydrophobicContact CG-CB 4.38Å; I291-F319 HydrophobicContact CB-CD1 4.28Å; I291-F319 HydrophobicContact CB-CE1 4.16Å; I291-F319 HydrophobicContact CD1-CD1 4.48Å; I291-F319 HydrophobicContact CD1-CE1 3.63Å; I291-F319 HydrophobicContact CD1-CZ 3.62Å; I291-F319 HydrophobicContact CG1-CD1 4.32Å; I291-F319 HydrophobicContact CG1-CE1 3.94Å; I291-F319 HydrophobicContact CG1-CZ 4.17Å; V317-F319 HydrophobicContact CG2-CE2 3.89Å; V317-F319 HydrophobicContact CG2-CZ 4.3Å; F319-A327 CarbonylContact O-C 3.55Å; F319-A327 WeakPolarHBondContact O-CA 3.41Å; F319-L328 HydrophobicContact CB-CB 4.39Å; F319-L328 HydrophobicContact CB-CD1 4.23Å; F319-L328 HydrophobicContact CD2-CD1 4.43Å; F319-L328 PolarHBondContact O-N 2.91Å; F319-M331 HydrophobicContact CD2-CE 3.81Å; F319-M331 HydrophobicContact CE2-CE 4.14Å; F319-F357 AromaticContact CE2-CD1 3.71Å; F319-F357 HydrophobicContact CE2-CD1 3.71Å; F319-F357 AromaticContact CE2-CE1 3.51Å; F319-F357 HydrophobicContact CE2-CE1 3.51Å; F319-F357 HydrophobicContact CE2-CG 4.4Å; F319-F357 HydrophobicContact CE2-CZ 4.04Å; F319-F357 HydrophobicContact CZ-CD1 4.02Å; F319-F357 AromaticContact CZ-CE1 3.31Å; F319-F357 HydrophobicContact CZ-CE1 3.31Å; F319-F357 HydrophobicContact CZ-CE2 4.46Å; F319-F357 AromaticContact CZ-CZ 3.57Å; F319-F357 HydrophobicContact CZ-CZ 3.57Å
320I96.4Very high94.4Very high47 Ų4735.2 Ų35.224%0.24122%0.221CC..EExtended strand (participates in β ladder)trans-116.5123179.3-55.2173.1000108.2F289 T290 I292 T322 A327F289-I320 CarbonylContact C-O 3.52Å; F289-I320 VanDerWaalsContact CA-O 3.26Å; F289-I320 WeakPolarHBondContact CA-O 3.16Å; T290-I320 PolarHBondContact N-O 2.78Å; T290-I320 PolarHBondContact O-N 2.84Å; I292-I320 HydrophobicContact CD1-CD1 3.61Å; I292-I320 HydrophobicContact CD1-CG1 4.46Å; I292-I320 HydrophobicContact CG1-CD1 4.19Å; I320-T322 PolarHBondContact O-N 2.88Å; I320-A327 HydrophobicContact CG1-CB 4.01Å
321C95.8Very high94.5Very high4 Ų432.1 Ų32.13%0.02721%0.208CC..EExtended strand (participates in β ladder)trans-61.8124.9176.5176.20000110.2V274 T287 F289 E323 S324 G325 V326V274-C321 HydrophobicContact CG2-CB 3.92Å; T287-C321 HydrophobicContact CG2-CB 4.39Å; T287-C321 WeakPolarHBondContact CG2-SG 3.32Å; F289-C321 HydrophobicContact CD1-CB 4.21Å; F289-C321 HydrophobicContact CE1-CB 4.03Å; C321-E323 PolarHBondContact O-N 2.78Å; C321-S324 WeakPolarHBondContact CB-OG 3.36Å; C321-S324 PolarHBondContact SG-N 3.41Å; C321-S324 VanDerWaalsContact SG-N 3.44Å; C321-S324 PolarHBondContact SG-OG 2.65Å; C321-G325 WeakPolarHBondContact O-CA 3.37Å; C321-G325 PolarHBondContact O-N 2.77Å; C321-V326 VanDerWaalsContact CB-O 3.3Å; C321-V326 WeakPolarHBondContact CB-O 3.29Å; C321-V326 PolarHBondContact N-O 3.25Å
322T93.2Very high94.6Very high57 Ų5732.9 Ų32.935%0.3521%0.212SC..THydrogen-bonded Turntrans-66.9-23.3-176.156.70000113.6K255 A288 I320K255-T322 HydrophobicContact CD-CG2 4.06Å; K255-T322 HydrophobicContact CG-CG2 4.04Å; A288-T322 HydrophobicContact CB-CG2 4.13Å; A288-T322 WeakPolarHBondContact O-CG2 3.47Å; A288-T322 PolarHBondContact O-N 3.24Å; A288-T322 VanDerWaalsContact O-N 3.09Å; A288-T322 PolarHBondContact O-OG1 2.92Å; A288-T322 VanDerWaalsContact O-OG1 3.09Å; I320-T322 PolarHBondContact O-N 2.88Å
323E88.9Confident94.7Very high149 Ų14932 Ų3270%0.69621%0.206SC*.THydrogen-bonded Turntrans-95.2-48.9-177.2-174.5179.6178.600112.3C321C321-E323 PolarHBondContact O-N 2.78Å
324S90Very high94.7Very high59 Ų5933.9 Ų33.941%0.41321%0.213SC..THydrogen-bonded Turntrans-94.7-14.4-174.365.70000114.5C321 V326C321-S324 WeakPolarHBondContact CB-OG 3.36Å; C321-S324 PolarHBondContact SG-N 3.41Å; C321-S324 VanDerWaalsContact SG-N 3.44Å; C321-S324 PolarHBondContact SG-OG 2.65Å; S324-V326 PolarHBondContact O-N 2.89Å; S324-V326 VanDerWaalsContact O-N 3.14Å; S324-V326 PolarHBondContact OG-N 3.19Å
325G92.1Very high94.8Very high49 Ų4934.2 Ų34.251%0.50521%0.205SC..  trans71-4.3-172.100000114.9C321 A327C321-G325 WeakPolarHBondContact O-CA 3.37Å; C321-G325 PolarHBondContact O-N 2.77Å; G325-A327 PolarHBondContact O-N 3.16Å
326V93.8Very high94.8Very high48 Ų4833.3 Ų33.329%0.29120%0.198SC..  trans-65.2133.2177.7-179.20000110F279 C321 S324F279-V326 HydrophobicContact CE2-CG1 3.66Å; F279-V326 HydrophobicContact CZ-CG1 3.79Å; C321-V326 VanDerWaalsContact CB-O 3.3Å; C321-V326 WeakPolarHBondContact CB-O 3.29Å; C321-V326 PolarHBondContact N-O 3.25Å; S324-V326 PolarHBondContact O-N 2.89Å; S324-V326 VanDerWaalsContact O-N 3.14Å; S324-V326 PolarHBondContact OG-N 3.19Å
327A95.2Very high94.6Very high39 Ų3936.6 Ų36.632%0.32222%0.215SC..BIsolated β-bridgetrans-114.1144.2-175.500000112.5Q318 F319 I320 G325Q318-A327 HydrophobicContact CG-CB 4.45Å; F319-A327 CarbonylContact O-C 3.55Å; F319-A327 WeakPolarHBondContact O-CA 3.41Å; I320-A327 HydrophobicContact CG1-CB 4.01Å; G325-A327 PolarHBondContact O-N 3.16Å
328L95.2Very high94.1Very high2 Ų244.6 Ų44.61%0.0125%0.25CC..PPolyproline II helixtrans-74.1156.4164.8-76.6170.7000110L272 F279 Q318 F319 M331 L367L272-L328 HydrophobicContact CD2-CD1 3.94Å; F279-L328 HydrophobicContact CD1-CD1 4.34Å; F279-L328 HydrophobicContact CD1-CD2 3.84Å; F279-L328 HydrophobicContact CD1-CG 3.94Å; F279-L328 HydrophobicContact CD2-CD2 3.59Å; F279-L328 HydrophobicContact CD2-CG 4.32Å; F279-L328 HydrophobicContact CE1-CD1 4.18Å; F279-L328 HydrophobicContact CE1-CD2 3.87Å; F279-L328 HydrophobicContact CE1-CG 3.55Å; F279-L328 HydrophobicContact CE2-CD2 3.62Å; F279-L328 HydrophobicContact CE2-CG 3.96Å; F279-L328 HydrophobicContact CG-CD2 3.71Å; F279-L328 HydrophobicContact CG-CG 4.32Å; F279-L328 HydrophobicContact CZ-CB 4.36Å; F279-L328 HydrophobicContact CZ-CD2 3.78Å; F279-L328 HydrophobicContact CZ-CG 3.57Å; Q318-L328 WeakPolarHBondContact CG-O 3.33Å; Q318-L328 PolarHBondContact NE2-O 2.97Å; Q318-L328 VanDerWaalsContact NE2-O 3.16Å; F319-L328 HydrophobicContact CB-CB 4.39Å; F319-L328 HydrophobicContact CB-CD1 4.23Å; F319-L328 HydrophobicContact CD2-CD1 4.43Å; F319-L328 PolarHBondContact O-N 2.91Å; L328-M331 HydrophobicContact CB-CE 3.74Å; L328-M331 HydrophobicContact CD1-CE 3.89Å; L328-M331 HydrophobicContact CG-CE 4.37Å; L328-L367 HydrophobicContact CD1-CD2 4.15Å; L328-L367 HydrophobicContact CD2-CD1 4.45Å
329P94.6Very high93.6Very high46 Ų4647 Ų4730%0.29926%0.261SS..PPolyproline II helixtrans-56.9153.7169.8-25.135.8000112M331 F359P329-M331 WeakPolarHBondContact O-CE 3.37Å; P329-M331 WeakPolarHBondContact O-CG 3.28Å; P329-M331 PolarHBondContact O-N 2.8Å; P329-F359 HydrophobicContact CB-CD1 4.14Å; P329-F359 HydrophobicContact CB-CE1 4.12Å; P329-F359 HydrophobicContact CG-CD1 4.49Å; P329-F359 HydrophobicContact CG-CE1 4.03Å
330P95.4Very high93.3Very high33 Ų3350.1 Ų50.121%0.21428%0.275CS..PPolyproline II helixtrans-59132.4173.9-23.234000111.7V316 R360V316-P330 HydrophobicContact CG1-CB 3.87Å; P330-R360 HydrophobicContact CB-CB 4.35Å; P330-R360 VanDerWaalsContact O-CB 3.3Å; P330-R360 WeakPolarHBondContact O-CB 3.37Å; P330-R360 PolarHBondContact O-N 3.46Å; P330-R360 VanDerWaalsContact O-N 3.12Å
331M96.4Very high93.1Very high0 Ų047.9 Ų47.90%026%0.264CS..EExtended strand (participates in β ladder)trans-135.9146.2-176.3-69.2171.4-69.700111V317 F319 L328 P329 F357 Q358 F359 L367V317-M331 WeakPolarHBondContact CG2-O 3.34Å; V317-M331 PolarHBondContact N-O 3.32Å; V317-M331 PolarHBondContact O-N 2.91Å; F319-M331 HydrophobicContact CD2-CE 3.81Å; F319-M331 HydrophobicContact CE2-CE 4.14Å; L328-M331 HydrophobicContact CB-CE 3.74Å; L328-M331 HydrophobicContact CD1-CE 3.89Å; L328-M331 HydrophobicContact CG-CE 4.37Å; P329-M331 WeakPolarHBondContact O-CE 3.37Å; P329-M331 WeakPolarHBondContact O-CG 3.28Å; P329-M331 PolarHBondContact O-N 2.8Å; M331-F357 HydrophobicContact CB-CB 4.01Å; M331-F357 HydrophobicContact CE-CB 4.27Å; M331-F357 HydrophobicContact CG-CB 4.3Å; M331-F357 HydrophobicContact SD-CB 3.55Å; M331-F357 VanDerWaalsContact SD-CB 3.55Å; M331-F357 HydrophobicContact SD-CG 4.49Å; M331-Q358 CarbonylContact C-O 3.52Å; M331-Q358 WeakPolarHBondContact CA-O 3.37Å; M331-Q358 VanDerWaalsContact CB-O 3.3Å; M331-Q358 WeakPolarHBondContact CB-O 3.25Å; M331-F359 HydrophobicContact CG-CD1 4.05Å; M331-F359 HydrophobicContact CG-CE1 4.33Å; M331-F359 HydrophobicContact CG-CG 4.41Å; M331-F359 HydrophobicContact SD-CD1 4.42Å; M331-F359 HydrophobicContact SD-CE1 4.13Å; M331-F359 HydrophobicContact SD-CZ 4.32Å; M331-L367 HydrophobicContact CE-CD2 4.46Å; M331-L367 HydrophobicContact SD-CB 3.97Å; M331-L367 HydrophobicContact SD-CD2 4.36Å
332V96.1Very high93Very high17 Ų1749 Ų4910%0.10327%0.269CS..EExtended strand (participates in β ladder)trans-83.4122.3171.1-172.40000109.3G314 S315 V316 R334 Q358G314-V332 WeakPolarHBondContact O-CG1 3.45Å; S315-V332 WeakPolarHBondContact O-CA 3.29Å; V316-V332 HydrophobicContact CG2-CG2 4.22Å; V332-R334 PolarHBondContact O-N 3.11Å; V332-Q358 HydrophobicContact CB-CB 4.3Å; V332-Q358 PolarHBondContact N-O 2.82Å; V332-Q358 PolarHBondContact O-N 2.85Å
333I97.1Very high92.8Very high0 Ų048 Ų480%026%0.261CS..EExtended strand (participates in β ladder)trans-77.7121.9175.6-175.7165.9000110.4I311 Y313 G314 S315 V317 V349 C355 F357 I399I311-I333 HydrophobicContact CG2-CG2 4.06Å; Y313-I333 HydrophobicContact CD1-CG1 4.08Å; Y313-I333 HydrophobicContact CE1-CD1 4.5Å; Y313-I333 HydrophobicContact CE1-CG1 4.16Å; G314-I333 PolarHBondContact N-O 3.34Å; S315-I333 PolarHBondContact O-N 3Å; S315-I333 VanDerWaalsContact O-N 3.13Å; V317-I333 HydrophobicContact CG1-CG2 4.25Å; V317-I333 HydrophobicContact CG2-CB 4.15Å; V317-I333 HydrophobicContact CG2-CG2 4.44Å; I333-V349 HydrophobicContact CD1-CB 4.47Å; I333-V349 HydrophobicContact CD1-CG1 3.99Å; I333-V349 HydrophobicContact CD1-CG2 3.71Å; I333-V349 HydrophobicContact CG1-CG2 4.39Å; I333-V349 HydrophobicContact CG2-CG2 4.43Å; I333-C355 HydrophobicContact CD1-CB 4.15Å; I333-C355 HydrophobicContact CG1-CB 4.01Å; I333-F357 HydrophobicContact CB-CD1 4.32Å; I333-F357 HydrophobicContact CB-CE1 4.21Å; I333-F357 HydrophobicContact CD1-CE1 3.84Å; I333-F357 HydrophobicContact CD1-CZ 4.45Å; I333-F357 HydrophobicContact CG1-CD1 4.36Å; I333-F357 HydrophobicContact CG1-CE1 3.9Å; I333-I399 HydrophobicContact CD1-CD1 4.39Å
334R96.1Very high92.7Very high46 Ų4646.9 Ų46.917%0.17426%0.26CS..EExtended strand (participates in β ladder)trans-115.7142.7-179-61-60.9-173.4-178.6-5.3111.3Y313 V332 A341 L343 C355 A356 Q358Y313-R334 VanDerWaalsContact CD1-C 3.46Å; V332-R334 PolarHBondContact O-N 3.11Å; R334-A341 HydrophobicContact CB-CB 4.25Å; R334-L343 HydrophobicContact CG-CD2 4.29Å; R334-L343 PolarHBondContact NH1-O 3.18Å; R334-C355 CarbonylContact O-C 3.53Å; R334-C355 WeakPolarHBondContact O-CA 3.35Å; R334-C355 WeakPolarHBondContact O-CB 3.46Å; R334-A356 PolarHBondContact N-O 2.83Å; R334-A356 PolarHBondContact O-N 2.9Å; R334-Q358 HydrophobicContact CG-CB 4.36Å
335K95.6Very high92.7Very high42 Ų4245.2 Ų45.218%0.18325%0.247CC..EExtended strand (participates in β ladder)trans-75.6134.1177.1-172.7170.8178.4178.90109.7Y313 A341 I342 V345 E347Y313-K335 HydrophobicContact CD1-CB 3.72Å; Y313-K335 HydrophobicContact CD2-CB 3.99Å; Y313-K335 HydrophobicContact CD2-CD 4.23Å; Y313-K335 HydrophobicContact CD2-CG 4.42Å; Y313-K335 VanDerWaalsContact CE1-CA 3.42Å; Y313-K335 HydrophobicContact CE1-CB 3.69Å; Y313-K335 HydrophobicContact CE1-CG 4.24Å; Y313-K335 HydrophobicContact CE2-CB 3.98Å; Y313-K335 HydrophobicContact CE2-CD 3.92Å; Y313-K335 HydrophobicContact CE2-CG 4Å; Y313-K335 HydrophobicContact CG-CB 3.85Å; K335-A341 WeakPolarHBondContact O-CA 3.44Å; K335-I342 PolarHBondContact O-N 3.22Å; K335-V345 HydrophobicContact CB-CB 4.38Å; K335-V345 HydrophobicContact CB-CG1 4.28Å; K335-V345 HydrophobicContact CB-CG2 4.32Å; K335-V345 HydrophobicContact CD-CG1 3.92Å; K335-V345 HydrophobicContact CD-CG2 4.4Å; K335-E347 WeakPolarHBondContact CD-OE1 2.95Å; K335-E347 WeakPolarHBondContact CE-OE1 3.05Å; K335-E347 VanDerWaalsContact NZ-CD 3.34Å; K335-E347 IonicContact NZ-OE1 2.76Å; K335-E347 PolarHBondContact NZ-OE1 3.3Å; K335-E347 IonicContact NZ-OE2 3.4Å; K335-E347 PolarHBondContact NZ-OE2 2.89Å
336V94.1Very high92.6Very high10 Ų1048.2 Ų48.26%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-108.5126.8177.4175.50000110.3K338 H340 K354 C355 A356 L391 C396V336-K338 WeakPolarHBondContact CG1-O 3.3Å; V336-H340 WeakPolarHBondContact CA-O 3.23Å; V336-K354 HydrophobicContact CB-CB 4.05Å; V336-K354 HydrophobicContact CG1-CB 4.42Å; V336-K354 PolarHBondContact N-O 2.8Å; V336-C355 VanDerWaalsContact CG2-C 3.42Å; V336-A356 HydrophobicContact CG2-CB 3.59Å; V336-L391 HydrophobicContact CG2-CD1 3.9Å; V336-C396 HydrophobicContact CG1-CB 4.48Å
337N90.6Very high92.5Very high87 Ų8746.5 Ų46.547%0.46524%0.241SC..EExtended strand (participates in β ladder)trans-118.5117.8168-170.1-1.1000109.4Q339 H340 I342N337-Q339 PolarHBondContact O-N 2.86Å; N337-H340 PolarHBondContact N-O 3.24Å; N337-H340 PolarHBondContact O-N 2.92Å; N337-I342 HydrophobicContact CB-CD1 3.87Å
338K85.6Confident92.5Very high168 Ų16844.9 Ų44.973%0.7323%0.227SC*.THydrogen-bonded Turntrans58-101.1-168.5-55.5176.5-179179.30110.6V336V336-K338 WeakPolarHBondContact CG1-O 3.3Å
339Q87Confident92.5Very high85 Ų8544.8 Ų44.840%0.39723%0.226SC..THydrogen-bonded Turntrans-123.415.1178.9-71.1173.2-30.900112.1N337 L391 D393N337-Q339 PolarHBondContact O-N 2.86Å; Q339-L391 PolarHBondContact O-N 2.88Å; Q339-D393 WeakPolarHBondContact CG-OD1 3.34Å; Q339-D393 PolarHBondContact NE2-OD1 3.04Å
340H90.8Very high92.5Very high65 Ų6542.7 Ų42.730%0.30121%0.213SC..EExtended strand (participates in β ladder)trans-111.9124.5-178.6-60.571.8000109.7V336 N337 V389V336-H340 WeakPolarHBondContact CA-O 3.23Å; N337-H340 PolarHBondContact N-O 3.24Å; N337-H340 PolarHBondContact O-N 2.92Å; H340-V389 CarbonylContact C-O 3.54Å; H340-V389 VanDerWaalsContact CA-O 3.3Å; H340-V389 WeakPolarHBondContact CA-O 3.31Å
341A92.1Very high92.6Very high0 Ų041.5 Ų41.50%021%0.205CC..EExtended strand (participates in β ladder)trans-72.1128.5161.600000108.9R334 K335 Y366 R388 V389 L391R334-A341 HydrophobicContact CB-CB 4.25Å; K335-A341 WeakPolarHBondContact O-CA 3.44Å; A341-Y366 HydrophobicContact CB-CE1 4.37Å; A341-R388 VanDerWaalsContact O-CA 3.28Å; A341-R388 WeakPolarHBondContact O-CA 3.39Å; A341-V389 HydrophobicContact CB-CB 4.39Å; A341-V389 PolarHBondContact N-O 3.26Å; A341-V389 PolarHBondContact O-N 2.86Å; A341-L391 HydrophobicContact CB-CD1 3.76Å; A341-L391 HydrophobicContact CB-CD2 4.34Å; A341-L391 HydrophobicContact CB-CG 4.04Å
342I92.3Very high92.5Very high27 Ų2742.9 Ų42.914%0.13821%0.212CC..EExtended strand (participates in β ladder)trans-99.4121.8174.7-45.8173.9000107.2K335 N337 V345K335-I342 PolarHBondContact O-N 3.22Å; N337-I342 HydrophobicContact CB-CD1 3.87Å; I342-V345 HydrophobicContact CB-CG2 3.75Å; I342-V345 HydrophobicContact CG2-CG2 3.45Å; I342-V345 VanDerWaalsContact CG2-CG2 3.45Å
343L89.6Confident92.5Very high35 Ų3542.7 Ų42.718%0.18321%0.21CC..SBendtrans-84.9-35-173.6-57.9-176.6000112.3R334 V345 S387 V389R334-L343 HydrophobicContact CG-CD2 4.29Å; R334-L343 PolarHBondContact NH1-O 3.18Å; L343-V345 VanDerWaalsContact C-N 3.34Å; L343-V345 PolarHBondContact O-N 2.93Å; L343-S387 PolarHBondContact N-O 2.88Å; L343-V389 HydrophobicContact CD1-CG2 4.09Å; L343-V389 HydrophobicContact CD2-CG2 4.4Å; L343-V389 HydrophobicContact CG-CG2 4.45Å
344D87.6Confident92.4Very high126 Ų12647.4 Ų47.467%0.67423%0.23SC*.SBendtrans-9553.3-172.7-52.6-38.4000112.2S387D344-S387 WeakPolarHBondContact OD2-CB 3.45Å
345V89.6Confident92.4Very high24 Ų2445.2 Ų45.215%0.14522%0.222CC..  trans-122.4118.3179.3178.80000109.5Y313 K335 I342 L343 E347Y313-V345 CarbonylContact C-O 3.5Å; Y313-V345 VanDerWaalsContact C-O 3.31Å; Y313-V345 VanDerWaalsContact CB-O 3.23Å; Y313-V345 WeakPolarHBondContact CB-O 3.3Å; Y313-V345 HydrophobicContact CD2-CG1 3.93Å; Y313-V345 HydrophobicContact CG-CG1 4.22Å; K335-V345 HydrophobicContact CB-CB 4.38Å; K335-V345 HydrophobicContact CB-CG1 4.28Å; K335-V345 HydrophobicContact CB-CG2 4.32Å; K335-V345 HydrophobicContact CD-CG1 3.92Å; K335-V345 HydrophobicContact CD-CG2 4.4Å; I342-V345 HydrophobicContact CB-CG2 3.75Å; I342-V345 HydrophobicContact CG2-CG2 3.45Å; I342-V345 VanDerWaalsContact CG2-CG2 3.45Å; L343-V345 VanDerWaalsContact C-N 3.34Å; L343-V345 PolarHBondContact O-N 2.93Å; V345-E347 HydrophobicContact CG1-CB 4.43Å; V345-E347 HydrophobicContact CG1-CG 3.63Å
346D89.4Confident92.5Very high112 Ų11243.2 Ų43.260%0.59921%0.213SC*.  trans-117.683.6170.8-178.722.4000109.5R240R240-D346 PolarHBondContact NH2-O 3.36Å
347E92.6Very high92.6Very high12 Ų1242.7 Ų42.76%0.05621%0.21CC..SBendtrans-142.8154.9172.671.4-179-149.300110.3R240 C312 Y313 K335 V345 V349R240-E347 WeakPolarHBondContact CA-OE2 3.11Å; R240-E347 WeakPolarHBondContact CB-OE2 3.46Å; R240-E347 HydrophobicContact CG-CB 3.87Å; R240-E347 VanDerWaalsContact CG-OE2 3.28Å; R240-E347 WeakPolarHBondContact CG-OE2 3.46Å; C312-E347 CarbonylContact C-O 3.52Å; C312-E347 VanDerWaalsContact CA-O 3.3Å; C312-E347 WeakPolarHBondContact CA-O 3.18Å; Y313-E347 HydrophobicContact CD2-CG 3.59Å; Y313-E347 VanDerWaalsContact CD2-O 3.32Å; Y313-E347 WeakPolarHBondContact CD2-O 3.47Å; Y313-E347 HydrophobicContact CE2-CG 3.99Å; Y313-E347 PolarHBondContact N-O 2.8Å; K335-E347 WeakPolarHBondContact CD-OE1 2.95Å; K335-E347 WeakPolarHBondContact CE-OE1 3.05Å; K335-E347 VanDerWaalsContact NZ-CD 3.34Å; K335-E347 IonicContact NZ-OE1 2.76Å; K335-E347 PolarHBondContact NZ-OE1 3.3Å; K335-E347 IonicContact NZ-OE2 3.4Å; K335-E347 PolarHBondContact NZ-OE2 2.89Å; V345-E347 HydrophobicContact CG1-CB 4.43Å; V345-E347 HydrophobicContact CG1-CG 3.63Å; E347-V349 PolarHBondContact O-N 2.75Å
348P94.5Very high92.9Very high5 Ų539.4 Ų39.43%0.03219%0.192CC..BIsolated β-bridgetrans-59.8137.2175.9-22.732.6000112.3Q241 M243 S350Q241-P348 HydrophobicContact CB-CB 4.37Å; Q241-P348 WeakPolarHBondContact CB-O 3.23Å; Q241-P348 HydrophobicContact CG-CB 4.2Å; Q241-P348 WeakPolarHBondContact O-CD 3.45Å; M243-P348 HydrophobicContact CG-CG 3.46Å; M243-P348 VanDerWaalsContact CG-CG 3.46Å; P348-S350 PolarHBondContact O-N 3.08Å
349V95.8Very high93.3Very high0 Ų032 Ų320%016%0.16CC..  trans-70.1128.5172.6-177.50000108.4C249 I250 I311 Y313 I333 E347 I399C249-V349 WeakPolarHBondContact CA-O 3.5Å; I250-V349 HydrophobicContact CD1-CG1 3.87Å; I250-V349 HydrophobicContact CG1-CG1 4.42Å; I250-V349 PolarHBondContact N-O 2.91Å; I311-V349 HydrophobicContact CG2-CG2 4.05Å; I311-V349 WeakPolarHBondContact O-CG2 3.2Å; I311-V349 PolarHBondContact O-N 3.14Å; Y313-V349 HydrophobicContact CD1-CG2 4.05Å; Y313-V349 HydrophobicContact CD2-CG2 4.26Å; Y313-V349 HydrophobicContact CE1-CG2 3.98Å; Y313-V349 HydrophobicContact CE2-CG2 4.19Å; Y313-V349 HydrophobicContact CG-CG2 4.21Å; I333-V349 HydrophobicContact CD1-CB 4.47Å; I333-V349 HydrophobicContact CD1-CG1 3.99Å; I333-V349 HydrophobicContact CD1-CG2 3.71Å; I333-V349 HydrophobicContact CG1-CG2 4.39Å; I333-V349 HydrophobicContact CG2-CG2 4.43Å; E347-V349 PolarHBondContact O-N 2.75Å; V349-I399 HydrophobicContact CG1-CG2 3.77Å
350S95.4Very high93.6Very high2 Ų232 Ų321%0.01416%0.156CC..BIsolated β-bridgetrans-111.3159.3-176.4-162.20000112.3Q241 L248 P348 L352 H353Q241-S350 PolarHBondContact OE1-OG 3.1Å; Q241-S350 VanDerWaalsContact OE1-OG 3.09Å; L248-S350 CarbonylContact O-C 3.52Å; L248-S350 WeakPolarHBondContact O-CA 3.19Å; L248-S350 PolarHBondContact O-OG 2.86Å; P348-S350 PolarHBondContact O-N 3.08Å; S350-L352 PolarHBondContact O-N 2.92Å; S350-H353 WeakPolarHBondContact CB-CE1 2.92Å; S350-H353 WeakPolarHBondContact CB-NE2 3.47Å; S350-H353 PolarHBondContact N-ND1 2.93Å; S350-H353 VanDerWaalsContact O-CB 3.32Å; S350-H353 WeakPolarHBondContact O-CB 3.4Å; S350-H353 PolarHBondContact O-N 3.12Å
351Q95.6Very high93.6Very high9 Ų935.6 Ų35.64%0.04218%0.178CC..THydrogen-bonded Turntrans-53.8134.1176-57.2-60.6-30.600111.8V116 L248 H353V116-Q351 HydrophobicContact CG1-CB 4.37Å; V116-Q351 HydrophobicContact CG1-CG 3.88Å; V116-Q351 HydrophobicContact CG2-CB 3.83Å; V116-Q351 HydrophobicContact CG2-CG 4.14Å; L248-Q351 HydrophobicContact CD2-CG 4.25Å; L248-Q351 WeakPolarHBondContact O-CG 3.33Å; L248-Q351 PolarHBondContact O-N 2.87Å; Q351-H353 PolarHBondContact O-N 2.83Å
352L95.8Very high93.4Very high29 Ų2938.4 Ų38.415%0.15219%0.193CC..THydrogen-bonded Turntrans62.419.3179.2-63.6171.5000114.8I233 P236 F259 S350 T398 I399 I400I233-L352 HydrophobicContact CD1-CD1 3.72Å; P236-L352 HydrophobicContact CB-CB 3.93Å; P236-L352 HydrophobicContact CG-CB 3.76Å; P236-L352 HydrophobicContact CG-CD1 3.93Å; F259-L352 HydrophobicContact CE1-CD2 4.23Å; F259-L352 HydrophobicContact CZ-CD2 4.04Å; S350-L352 PolarHBondContact O-N 2.92Å; L352-T398 HydrophobicContact CB-CG2 4.46Å; L352-T398 HydrophobicContact CD2-CG2 4.08Å; L352-I399 VanDerWaalsContact CA-O 3.29Å; L352-I399 WeakPolarHBondContact CA-O 3.44Å; L352-I399 PolarHBondContact N-O 3Å; L352-I400 HydrophobicContact CD2-CB 4.3Å; L352-I400 HydrophobicContact CD2-CD1 3.76Å; L352-I400 HydrophobicContact CD2-CG1 4.38Å; L352-I400 HydrophobicContact CG-CD1 4.12Å
353H95.1Very high93.1Very high13 Ų1340.6 Ų40.66%0.0621%0.209CC..  trans-69.3150.4169-82.5-169.4000111.9S237 Y313 S350 Q351 T398 I399S237-H353 PolarHBondContact O-CD2 2.93Å; S237-H353 PolarHBondContact O-NE2 3.35Å; Y313-H353 AromaticContact CE2-ND1 3.86Å; Y313-H353 AromaticContact CZ-ND1 3.84Å; Y313-H353 WeakPolarHBondContact OH-CB 3.26Å; Y313-H353 PolarHBondContact OH-ND1 3.03Å; S350-H353 WeakPolarHBondContact CB-CE1 2.92Å; S350-H353 WeakPolarHBondContact CB-NE2 3.47Å; S350-H353 PolarHBondContact N-ND1 2.93Å; S350-H353 VanDerWaalsContact O-CB 3.32Å; S350-H353 WeakPolarHBondContact O-CB 3.4Å; S350-H353 PolarHBondContact O-N 3.12Å; Q351-H353 PolarHBondContact O-N 2.83Å; H353-T398 WeakPolarHBondContact O-CA 3.36Å; H353-I399 PolarHBondContact O-N 2.97Å; H353-I399 VanDerWaalsContact O-N 3.14Å
354K95.1Very high93Very high98 Ų9843 Ų4343%0.42622%0.221SC..EExtended strand (participates in β ladder)trans-87.2127167.2-69.3-166.9174.8-166.90109.8V336 W397V336-K354 HydrophobicContact CB-CB 4.05Å; V336-K354 HydrophobicContact CG1-CB 4.42Å; V336-K354 PolarHBondContact N-O 2.8Å; K354-W397 CarbonylContact C-O 3.56Å; K354-W397 VanDerWaalsContact CA-O 3.29Å; K354-W397 WeakPolarHBondContact CA-O 3.35Å
355C96.4Very high93.3Very high0 Ų037.1 Ų37.10%019%0.191CC..EExtended strand (participates in β ladder)trans-136.8163.6-179.359.70000111.3Y313 I333 R334 V336 F357 W397Y313-C355 HydrophobicContact CE1-CB 4.08Å; I333-C355 HydrophobicContact CD1-CB 4.15Å; I333-C355 HydrophobicContact CG1-CB 4.01Å; R334-C355 CarbonylContact O-C 3.53Å; R334-C355 WeakPolarHBondContact O-CA 3.35Å; R334-C355 WeakPolarHBondContact O-CB 3.46Å; V336-C355 VanDerWaalsContact CG2-C 3.42Å; C355-F357 WeakPolarHBondContact SG-CZ 3.45Å; C355-W397 PolarHBondContact N-O 2.86Å; C355-W397 PolarHBondContact O-N 2.81Å
356A97.2Very high93.6Very high0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans-129154.3170.900000108.8R334 V336 Y366 L391R334-A356 PolarHBondContact N-O 2.83Å; R334-A356 PolarHBondContact O-N 2.9Å; V336-A356 HydrophobicContact CG2-CB 3.59Å; A356-Y366 HydrophobicContact CB-CD1 4Å; A356-Y366 HydrophobicContact CB-CE1 4.32Å; A356-L391 HydrophobicContact CB-CD1 3.38Å
357F97.4Very high93.9Very high0 Ų030.8 Ų30.80%016%0.156CC..EExtended strand (participates in β ladder)trans-117.7106.7-177.3-57.6-74.5000108.8L258 F319 M331 I333 C355 Y366 L367 W397L258-F357 HydrophobicContact CD1-CD2 4.38Å; L258-F357 HydrophobicContact CD1-CE2 3.56Å; L258-F357 HydrophobicContact CD1-CZ 3.82Å; L258-F357 HydrophobicContact CD2-CE2 3.82Å; L258-F357 HydrophobicContact CD2-CZ 3.63Å; L258-F357 HydrophobicContact CG-CE2 4.33Å; L258-F357 HydrophobicContact CG-CZ 4.41Å; F319-F357 AromaticContact CE2-CD1 3.71Å; F319-F357 HydrophobicContact CE2-CD1 3.71Å; F319-F357 AromaticContact CE2-CE1 3.51Å; F319-F357 HydrophobicContact CE2-CE1 3.51Å; F319-F357 HydrophobicContact CE2-CG 4.4Å; F319-F357 HydrophobicContact CE2-CZ 4.04Å; F319-F357 HydrophobicContact CZ-CD1 4.02Å; F319-F357 AromaticContact CZ-CE1 3.31Å; F319-F357 HydrophobicContact CZ-CE1 3.31Å; F319-F357 HydrophobicContact CZ-CE2 4.46Å; F319-F357 AromaticContact CZ-CZ 3.57Å; F319-F357 HydrophobicContact CZ-CZ 3.57Å; M331-F357 HydrophobicContact CB-CB 4.01Å; M331-F357 HydrophobicContact CE-CB 4.27Å; M331-F357 HydrophobicContact CG-CB 4.3Å; M331-F357 HydrophobicContact SD-CB 3.55Å; M331-F357 VanDerWaalsContact SD-CB 3.55Å; M331-F357 HydrophobicContact SD-CG 4.49Å; I333-F357 HydrophobicContact CB-CD1 4.32Å; I333-F357 HydrophobicContact CB-CE1 4.21Å; I333-F357 HydrophobicContact CD1-CE1 3.84Å; I333-F357 HydrophobicContact CD1-CZ 4.45Å; I333-F357 HydrophobicContact CG1-CD1 4.36Å; I333-F357 HydrophobicContact CG1-CE1 3.9Å; C355-F357 WeakPolarHBondContact SG-CZ 3.45Å; F357-Y366 CarbonylContact O-C 3.57Å; F357-Y366 WeakPolarHBondContact O-CA 3.47Å; F357-L367 HydrophobicContact CB-CB 3.93Å; F357-L367 HydrophobicContact CB-CD2 4.47Å; F357-L367 HydrophobicContact CD2-CD2 4.04Å; F357-L367 PolarHBondContact O-N 3.45Å; F357-W397 HydrophobicContact CD2-CB 4.41Å; F357-W397 AromaticContact CD2-CD1 3.78Å; F357-W397 HydrophobicContact CD2-CG 4.15Å; F357-W397 HydrophobicContact CE2-CB 3.77Å; F357-W397 AromaticContact CE2-CG 3.93Å; F357-W397 HydrophobicContact CE2-CG 3.93Å
358Q95.9Very high94.1Very high17 Ų1730.2 Ų30.28%0.07915%0.153CC..EExtended strand (participates in β ladder)trans-87.4129.3179.5-176.7-178.628.600108.7M331 V332 R334 R360 P363 S365 Y366M331-Q358 CarbonylContact C-O 3.52Å; M331-Q358 WeakPolarHBondContact CA-O 3.37Å; M331-Q358 VanDerWaalsContact CB-O 3.3Å; M331-Q358 WeakPolarHBondContact CB-O 3.25Å; V332-Q358 HydrophobicContact CB-CB 4.3Å; V332-Q358 PolarHBondContact N-O 2.82Å; V332-Q358 PolarHBondContact O-N 2.85Å; R334-Q358 HydrophobicContact CG-CB 4.36Å; Q358-R360 PolarHBondContact O-N 2.73Å; Q358-P363 WeakPolarHBondContact CG-O 3.26Å; Q358-P363 PolarHBondContact NE2-O 2.83Å; Q358-S365 CarbonylContact C-O 3.59Å; Q358-S365 WeakPolarHBondContact CA-O 3.39Å; Q358-Y366 HydrophobicContact CB-CD1 3.92Å; Q358-Y366 HydrophobicContact CB-CE1 3.57Å; Q358-Y366 HydrophobicContact CG-CE1 4.02Å
359F95.1Very high94.1Very high12 Ų1230.8 Ų30.85%0.05316%0.156CC..EExtended strand (participates in β ladder)trans-65.1131.8178.2-73.8-86.4000110.6L61 P329 M331 D361 N362 S365 L367 Q376L61-F359 HydrophobicContact CD1-CZ 4.25Å; P329-F359 HydrophobicContact CB-CD1 4.14Å; P329-F359 HydrophobicContact CB-CE1 4.12Å; P329-F359 HydrophobicContact CG-CD1 4.49Å; P329-F359 HydrophobicContact CG-CE1 4.03Å; M331-F359 HydrophobicContact CG-CD1 4.05Å; M331-F359 HydrophobicContact CG-CE1 4.33Å; M331-F359 HydrophobicContact CG-CG 4.41Å; M331-F359 HydrophobicContact SD-CD1 4.42Å; M331-F359 HydrophobicContact SD-CE1 4.13Å; M331-F359 HydrophobicContact SD-CZ 4.32Å; F359-D361 PolarHBondContact O-N 2.86Å; F359-N362 HydrophobicContact CB-CB 4.32Å; F359-N362 CarbonylContact O-C 3.52Å; F359-N362 PolarHBondContact O-N 3.44Å; F359-S365 PolarHBondContact N-O 2.65Å; F359-L367 HydrophobicContact CE2-CB 4.48Å; F359-L367 HydrophobicContact CZ-CD1 4.25Å; F359-Q376 HydrophobicContact CD2-CG 3.8Å; F359-Q376 HydrophobicContact CE2-CB 3.9Å; F359-Q376 HydrophobicContact CE2-CG 3.6Å; F359-Q376 HydrophobicContact CZ-CB 4.27Å; F359-Q376 HydrophobicContact CZ-CG 4.31Å
360R91.9Very high93.8Very high86 Ų8634.4 Ų34.433%0.32518%0.175SC..SBendtrans-60.2-47.2-179.5178-176.4173.31438.9111.5D296 P330 Q358 N362D296-R360 IonicContact OD1-CZ 3.67Å; D296-R360 IonicContact OD1-NH1 3.01Å; D296-R360 PolarHBondContact OD1-NH1 2.8Å; D296-R360 IonicContact OD1-NH2 3.16Å; D296-R360 PolarHBondContact OD1-NH2 2.99Å; P330-R360 HydrophobicContact CB-CB 4.35Å; P330-R360 VanDerWaalsContact O-CB 3.3Å; P330-R360 WeakPolarHBondContact O-CB 3.37Å; P330-R360 PolarHBondContact O-N 3.46Å; P330-R360 VanDerWaalsContact O-N 3.12Å; Q358-R360 PolarHBondContact O-N 2.73Å; R360-N362 VanDerWaalsContact C-N 3.28Å; R360-N362 PolarHBondContact O-N 2.87Å
361D90.3Very high93.3Very high141 Ų14140.7 Ų40.775%0.75421%0.208SC*.SBendtrans-79.6-12.6-176-54.1-36.7000112.8F359F359-D361 PolarHBondContact O-N 2.86Å
362N89.9Confident92.8Very high58 Ų5844.2 Ų44.231%0.3123%0.227SC..  trans-137.991177.1-172.1-28.7000110.3F359 R360 N364 S365 Q376F359-N362 HydrophobicContact CB-CB 4.32Å; F359-N362 CarbonylContact O-C 3.52Å; F359-N362 PolarHBondContact O-N 3.44Å; R360-N362 VanDerWaalsContact C-N 3.28Å; R360-N362 PolarHBondContact O-N 2.87Å; N362-N364 PolarHBondContact O-N 3.42Å; N362-N364 VanDerWaalsContact O-N 3.13Å; N362-N364 PolarHBondContact OD1-N 3.47Å; N362-S365 PolarHBondContact ND2-OG 2.75Å; N362-S365 VanDerWaalsContact ND2-OG 3.11Å; N362-S365 PolarHBondContact O-N 2.97Å; N362-S365 PolarHBondContact OD1-OG 3.08Å; N362-Q376 PolarHBondContact ND2-NE2 2.99Å
363P84.8Confident92.5Very high73 Ų7346.2 Ų46.247%0.47424%0.241SC..THydrogen-bonded Turntrans-66.8-18.8-171.726.2-34.8000113.4Q358 S365Q358-P363 WeakPolarHBondContact CG-O 3.26Å; Q358-P363 PolarHBondContact NE2-O 2.83Å; P363-S365 VanDerWaalsContact C-N 3.26Å; P363-S365 PolarHBondContact O-N 2.94Å
364N87.3Confident92.5Very high85 Ų8546 Ų4646%0.45524%0.24SC..THydrogen-bonded Turntrans-86-0.8177.3-66.3-31.2000112.8N362 Q378 A379N362-N364 PolarHBondContact O-N 3.42Å; N362-N364 VanDerWaalsContact O-N 3.13Å; N362-N364 PolarHBondContact OD1-N 3.47Å; N364-Q378 HydrophobicContact CB-CG 4.22Å; N364-Q378 CarbonylContact O-C 3.56Å; N364-Q378 WeakPolarHBondContact O-CA 3.44Å; N364-A379 PolarHBondContact O-N 3.41Å
365S94.1Very high92.5Very high4 Ų442.7 Ų42.73%0.02823%0.227CC..EExtended strand (participates in β ladder)trans-113.9144.4-173-63.40000112.9Q358 F359 N362 P363 Q376 H377Q358-S365 CarbonylContact C-O 3.59Å; Q358-S365 WeakPolarHBondContact CA-O 3.39Å; F359-S365 PolarHBondContact N-O 2.65Å; N362-S365 PolarHBondContact ND2-OG 2.75Å; N362-S365 VanDerWaalsContact ND2-OG 3.11Å; N362-S365 PolarHBondContact O-N 2.97Å; N362-S365 PolarHBondContact OD1-OG 3.08Å; P363-S365 VanDerWaalsContact C-N 3.26Å; P363-S365 PolarHBondContact O-N 2.94Å; S365-Q376 PolarHBondContact OG-NE2 3.32Å; S365-H377 CarbonylContact C-O 3.54Å; S365-H377 WeakPolarHBondContact CA-O 3.2Å
366Y96.1Very high92.4Very high2 Ų246.2 Ų46.21%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-130.5148.3-179.3-66.8-97.3000112A341 A356 F357 Q358 C368 H377 A379 V389 L391A341-Y366 HydrophobicContact CB-CE1 4.37Å; A356-Y366 HydrophobicContact CB-CD1 4Å; A356-Y366 HydrophobicContact CB-CE1 4.32Å; F357-Y366 CarbonylContact O-C 3.57Å; F357-Y366 WeakPolarHBondContact O-CA 3.47Å; Q358-Y366 HydrophobicContact CB-CD1 3.92Å; Q358-Y366 HydrophobicContact CB-CE1 3.57Å; Q358-Y366 HydrophobicContact CG-CE1 4.02Å; Y366-C368 PolarHBondContact O-N 3.26Å; Y366-H377 PolarHBondContact N-O 3.01Å; Y366-H377 PolarHBondContact O-N 3.11Å; Y366-A379 HydrophobicContact CD2-CB 3.78Å; Y366-A379 HydrophobicContact CE2-CB 3.7Å; Y366-V389 HydrophobicContact CE2-CG1 4.14Å; Y366-L391 HydrophobicContact CD1-CD2 3.91Å; Y366-L391 HydrophobicContact CD2-CD2 3.79Å; Y366-L391 HydrophobicContact CE1-CD2 3.96Å; Y366-L391 HydrophobicContact CE2-CD2 3.87Å; Y366-L391 HydrophobicContact CG-CD2 3.81Å
367L96.6Very high92.2Very high0 Ų049.1 Ų49.10%026%0.257CS..EExtended strand (participates in β ladder)trans-63.6118.1170.3-173.471.9000109.5L328 M331 F357 F359 I374 S395 W397L328-L367 HydrophobicContact CD1-CD2 4.15Å; L328-L367 HydrophobicContact CD2-CD1 4.45Å; M331-L367 HydrophobicContact CE-CD2 4.46Å; M331-L367 HydrophobicContact SD-CB 3.97Å; M331-L367 HydrophobicContact SD-CD2 4.36Å; F357-L367 HydrophobicContact CB-CB 3.93Å; F357-L367 HydrophobicContact CB-CD2 4.47Å; F357-L367 HydrophobicContact CD2-CD2 4.04Å; F357-L367 PolarHBondContact O-N 3.45Å; F359-L367 HydrophobicContact CE2-CB 4.48Å; F359-L367 HydrophobicContact CZ-CD1 4.25Å; L367-I374 HydrophobicContact CD1-CG2 3.43Å; L367-I374 VanDerWaalsContact CD1-CG2 3.43Å; L367-I374 HydrophobicContact CG-CG2 4.31Å; L367-S395 WeakPolarHBondContact O-CA 3.46Å; L367-W397 HydrophobicContact CD2-CZ2 4.46Å; L367-W397 HydrophobicContact CG-CZ2 4.47Å; L367-W397 PolarHBondContact O-NE1 3.33Å
368C95.6Very high91.9Very high0 Ų055.1 Ų55.10%029%0.285CS..EExtended strand (participates in β ladder)trans-129.2136.2-172.9-168.80000111.6Y366 I375 H377 G394 S395Y366-C368 PolarHBondContact O-N 3.26Å; C368-I375 HydrophobicContact CB-CG1 4.01Å; C368-I375 PolarHBondContact N-O 3.32Å; C368-I375 PolarHBondContact O-N 2.77Å; C368-H377 HydrophobicContact CB-CB 3.43Å; C368-H377 VanDerWaalsContact CB-CB 3.43Å; C368-G394 VanDerWaalsContact SG-C 3.54Å; C368-S395 PolarHBondContact SG-OG 3.26Å; C368-S395 VanDerWaalsContact SG-OG 3.42Å
369L93.9Very high91.4Very high17 Ų1754.8 Ų54.89%0.08929%0.285CS..EExtended strand (participates in β ladder)trans-78.7124.4162174.659.9000109.6N260 R270 A281 N371 I374 G394 W397N260-L369 HydrophobicContact CB-CD2 3.69Å; R270-L369 HydrophobicContact CB-CD2 3.66Å; R270-L369 HydrophobicContact CG-CD2 3.89Å; A281-L369 HydrophobicContact CB-CD1 3.1Å; A281-L369 HydrophobicContact CB-CG 4.43Å; L369-N371 WeakPolarHBondContact CD1-O 3.47Å; L369-I374 HydrophobicContact CD1-CD1 4.49Å; L369-G394 WeakPolarHBondContact CB-O 3.26Å; L369-G394 PolarHBondContact N-O 3.48Å; L369-G394 WeakPolarHBondContact O-CA 3.38Å; L369-W397 HydrophobicContact CB-CH2 4.13Å; L369-W397 HydrophobicContact CB-CZ2 4.02Å
370L90.6Very high90.6Very high76 Ų7658.3 Ų58.340%0.39831%0.309SS..EExtended strand (participates in β ladder)trans-125.9113.3165.3-173.965.7000108.8D372 T373 I375L370-D372 PolarHBondContact O-N 3.39Å; L370-D372 VanDerWaalsContact O-N 3.1Å; L370-T373 PolarHBondContact N-O 2.94Å; L370-T373 PolarHBondContact O-N 2.89Å; L370-T373 PolarHBondContact O-OG1 3.03Å; L370-I375 HydrophobicContact CB-CD1 3.66Å; L370-I375 HydrophobicContact CB-CG1 4.03Å; L370-I375 HydrophobicContact CD2-CD1 3.72Å; L370-I375 HydrophobicContact CG-CD1 4.3Å
371N84.8Confident89.3Confident134 Ų13459.1 Ų59.172%0.71733%0.328SS*.THydrogen-bonded Turntrans56.9-107.4-171-56.4-35.3000111.4L369L369-N371 WeakPolarHBondContact CD1-O 3.47Å
372D85.1Confident87.8Confident84 Ų8455 Ų5545%0.44931%0.31SS..THydrogen-bonded Turntrans-114.712.7176.2-64.3-34.8000112.2R270 A281 L370R270-D372 IonicContact CZ-OD1 3.22Å; R270-D372 IonicContact NE-OD1 3.01Å; R270-D372 PolarHBondContact NE-OD1 3.41Å; R270-D372 IonicContact NH2-OD1 3.63Å; R270-D372 PolarHBondContact NH2-OD1 2.9Å; A281-D372 PolarHBondContact N-O 3.12Å; A281-D372 VanDerWaalsContact N-O 3.12Å; L370-D372 PolarHBondContact O-N 3.39Å; L370-D372 VanDerWaalsContact O-N 3.1Å
373T90Very high86.3Confident71 Ų7160.2 Ų60.244%0.43634%0.336SS..EExtended strand (participates in β ladder)trans-111.4148.3-177.264.80000112.1L370L370-T373 PolarHBondContact N-O 2.94Å; L370-T373 PolarHBondContact O-N 2.89Å; L370-T373 PolarHBondContact O-OG1 3.03Å
374I95.1Very high85.2Confident8 Ų868.4 Ų68.44%0.04136%0.357CS..EExtended strand (participates in β ladder)trans-99120.3174.8-56.8-59.1000108.3L272 F279 A281 L367 L369 W397L272-I374 HydrophobicContact CD1-CD1 3.64Å; L272-I374 HydrophobicContact CD1-CG1 3.77Å; F279-I374 HydrophobicContact CB-CB 4.28Å; F279-I374 HydrophobicContact CB-CG1 4.21Å; F279-I374 HydrophobicContact CB-CG2 4.45Å; A281-I374 HydrophobicContact CB-CD1 3.91Å; L367-I374 HydrophobicContact CD1-CG2 3.43Å; L367-I374 VanDerWaalsContact CD1-CG2 3.43Å; L367-I374 HydrophobicContact CG-CG2 4.31Å; L369-I374 HydrophobicContact CD1-CD1 4.49Å; I374-W397 HydrophobicContact CD1-CH2 3.7Å; I374-W397 HydrophobicContact CD1-CZ2 4.05Å
375I94.2Very high84.1Confident28 Ų2867.4 Ų67.414%0.14435%0.352CS..EExtended strand (participates in β ladder)trans-129.4163-177.566.6165.6000111.3C368 L370C368-I375 HydrophobicContact CB-CG1 4.01Å; C368-I375 PolarHBondContact N-O 3.32Å; C368-I375 PolarHBondContact O-N 2.77Å; L370-I375 HydrophobicContact CB-CD1 3.66Å; L370-I375 HydrophobicContact CB-CG1 4.03Å; L370-I375 HydrophobicContact CD2-CD1 3.72Å; L370-I375 HydrophobicContact CG-CD1 4.3Å
376Q94.2Very high83.2Confident75 Ų7572.7 Ų72.735%0.3539%0.389SS..EExtended strand (participates in β ladder)trans-88.3118164.7-178.2171-10.200108.8F359 N362 S365F359-Q376 HydrophobicContact CD2-CG 3.8Å; F359-Q376 HydrophobicContact CE2-CB 3.9Å; F359-Q376 HydrophobicContact CE2-CG 3.6Å; F359-Q376 HydrophobicContact CZ-CB 4.27Å; F359-Q376 HydrophobicContact CZ-CG 4.31Å; N362-Q376 PolarHBondContact ND2-NE2 2.99Å; S365-Q376 PolarHBondContact OG-NE2 3.32Å
377H92.8Very high82.6Confident61 Ų6174 Ų7428%0.28240%0.398SS..EExtended strand (participates in β ladder)trans-110.8127.5178.6-177.566.1000110.8S365 Y366 C368S365-H377 CarbonylContact C-O 3.54Å; S365-H377 WeakPolarHBondContact CA-O 3.2Å; Y366-H377 PolarHBondContact N-O 3.01Å; Y366-H377 PolarHBondContact O-N 3.11Å; C368-H377 HydrophobicContact CB-CB 3.43Å; C368-H377 VanDerWaalsContact CB-CB 3.43Å
378Q91.6Very high82.2Confident126 Ų12679.2 Ų79.259%0.58942%0.418SS*.EExtended strand (participates in β ladder)trans-81.2119.5176.4-168.7170.63.100110N364N364-Q378 HydrophobicContact CB-CG 4.22Å; N364-Q378 CarbonylContact O-C 3.56Å; N364-Q378 WeakPolarHBondContact O-CA 3.44Å
379A85.6Confident81.9Confident9 Ų980.3 Ų80.37%0.07443%0.425CS..PPolyproline II helixtrans-76.1143.6176.700000110.6N364 Y366 S381 V389 L391N364-A379 PolarHBondContact O-N 3.41Å; Y366-A379 HydrophobicContact CD2-CB 3.78Å; Y366-A379 HydrophobicContact CE2-CB 3.7Å; A379-S381 PolarHBondContact O-N 3.4Å; A379-V389 HydrophobicContact CB-CG1 3.52Å; A379-L391 HydrophobicContact CB-CD2 4.43Å
380P77.5Confident81.7Confident86 Ų8682.6 Ų82.656%0.55844%0.439SS*.PPolyproline II helixtrans-64.8130.817624.6-30.9000110.5S382P380-S382 PolarHBondContact O-N 2.95Å; P380-S382 VanDerWaalsContact O-N 3.1Å
381S65.3Low81.7Confident104 Ų10479.5 Ų79.573%0.72742%0.423SS*.  trans-67.8108.4175.954.60000110A379A379-S381 PolarHBondContact O-N 3.4Å
382S58.8Low82Confident54 Ų5476.3 Ų76.338%0.37841%0.406SS..  trans-77.2117.6173.2151.40000109.7P380 R384 D385P380-S382 PolarHBondContact O-N 2.95Å; P380-S382 VanDerWaalsContact O-N 3.1Å; S382-R384 VanDerWaalsContact C-N 3.32Å; S382-D385 PolarHBondContact OG-N 2.97Å; S382-D385 PolarHBondContact OG-O 2.64Å
383I58.6Low82.3Confident168 Ų16874.9 Ų74.986%0.86240%0.399SS*.SBendtrans-80-17.4174.3-59.5169.5000111.2
384R61Low82.4Confident244 Ų24471.9 Ų71.992%0.92138%0.382SS*.SBendtrans-90.6-23.8-167.1-70-173-174.6-159.11.6115.2S382S382-R384 VanDerWaalsContact C-N 3.32Å
385D65.4Low82.4Confident65 Ų6571.6 Ų71.635%0.34838%0.38SS..  trans-148.6113.3-179.6-171.6-8.5000109S382 S387 R388S382-D385 PolarHBondContact OG-N 2.97Å; S382-D385 PolarHBondContact OG-O 2.64Å; D385-S387 VanDerWaalsContact C-N 3.26Å; D385-S387 PolarHBondContact O-N 2.92Å; D385-S387 WeakPolarHBondContact OD1-CB 3.23Å; D385-S387 PolarHBondContact OD1-N 2.89Å; D385-S387 PolarHBondContact OD1-OG 3.15Å; D385-R388 WeakPolarHBondContact OD2-CD 3.34Å; D385-R388 IonicContact OD2-NE 3.88Å
386S75.1Confident82.5Confident115 Ų11570.8 Ų70.880%0.80438%0.377SS*.THydrogen-bonded Turntrans-75.9-14.9-179.555.90000113
387S83.4Confident82.6Confident28 Ų2867.2 Ų67.220%0.19636%0.36CS..THydrogen-bonded Turntrans-88.9-10-177.171.10000113.4L343 D344 D385L343-S387 PolarHBondContact N-O 2.88Å; D344-S387 WeakPolarHBondContact OD2-CB 3.45Å; D385-S387 VanDerWaalsContact C-N 3.26Å; D385-S387 PolarHBondContact O-N 2.92Å; D385-S387 WeakPolarHBondContact OD1-CB 3.23Å; D385-S387 PolarHBondContact OD1-N 2.89Å; D385-S387 PolarHBondContact OD1-OG 3.15Å
388R87.3Confident82.8Confident110 Ų11065 Ų6542%0.41535%0.351SS..EExtended strand (participates in β ladder)trans-138.9140.7-172-62.3-179.9-172.5-150.70.9113.3A341 D385A341-R388 VanDerWaalsContact O-CA 3.28Å; A341-R388 WeakPolarHBondContact O-CA 3.39Å; D385-R388 WeakPolarHBondContact OD2-CD 3.34Å; D385-R388 IonicContact OD2-NE 3.88Å
389V89.2Confident83.1Confident24 Ų2459 Ų5915%0.14532%0.323CS..EExtended strand (participates in β ladder)trans-122.5129.2174.8-179.20000109.4H340 A341 L343 Y366 A379 L391H340-V389 CarbonylContact C-O 3.54Å; H340-V389 VanDerWaalsContact CA-O 3.3Å; H340-V389 WeakPolarHBondContact CA-O 3.31Å; A341-V389 HydrophobicContact CB-CB 4.39Å; A341-V389 PolarHBondContact N-O 3.26Å; A341-V389 PolarHBondContact O-N 2.86Å; L343-V389 HydrophobicContact CD1-CG2 4.09Å; L343-V389 HydrophobicContact CD2-CG2 4.4Å; L343-V389 HydrophobicContact CG-CG2 4.45Å; Y366-V389 HydrophobicContact CE2-CG1 4.14Å; A379-V389 HydrophobicContact CB-CG1 3.52Å; V389-L391 HydrophobicContact CG1-CD2 4.33Å
390V90.9Very high83.7Confident65 Ų6558.7 Ų58.739%0.39432%0.32SS..EExtended strand (participates in β ladder)trans-75.5126.8174.7-177.10000108.7
391L91Very high84.7Confident10 Ų1054.6 Ų54.65%0.05229%0.294CS..  trans-109.3153.5-178.1-63.7-178.9000111.8V336 Q339 A341 A356 Y366 A379 V389V336-L391 HydrophobicContact CG2-CD1 3.9Å; Q339-L391 PolarHBondContact O-N 2.88Å; A341-L391 HydrophobicContact CB-CD1 3.76Å; A341-L391 HydrophobicContact CB-CD2 4.34Å; A341-L391 HydrophobicContact CB-CG 4.04Å; A356-L391 HydrophobicContact CB-CD1 3.38Å; Y366-L391 HydrophobicContact CD1-CD2 3.91Å; Y366-L391 HydrophobicContact CD2-CD2 3.79Å; Y366-L391 HydrophobicContact CE1-CD2 3.96Å; Y366-L391 HydrophobicContact CE2-CD2 3.87Å; Y366-L391 HydrophobicContact CG-CD2 3.81Å; A379-L391 HydrophobicContact CB-CD2 4.43Å; V389-L391 HydrophobicContact CG1-CD2 4.33Å
392N90.6Very high86.3Confident68 Ų6849.7 Ų49.736%0.36426%0.259SS..  trans-66.5146.1161.4-171.7-21000109.6G394 S395N392-G394 PolarHBondContact O-N 2.64Å; N392-G394 VanDerWaalsContact O-N 3.15Å; N392-G394 PolarHBondContact OD1-N 2.88Å; N392-G394 VanDerWaalsContact OD1-N 3.1Å; N392-S395 PolarHBondContact O-N 2.82Å
393D90.5Very high88.1Confident54 Ų5449.6 Ų49.629%0.28925%0.253SS..G310 helixtrans-52.6-33.7171.5-78.5-22.3000111.9N260 L262 Q339 S395 C396N260-D393 PolarHBondContact ND2-O 2.9Å; L262-D393 HydrophobicContact CD1-CB 3.57Å; L262-D393 WeakPolarHBondContact CD1-OD2 3.34Å; Q339-D393 WeakPolarHBondContact CG-OD1 3.34Å; Q339-D393 PolarHBondContact NE2-OD1 3.04Å; D393-S395 PolarHBondContact O-N 2.84Å; D393-C396 WeakPolarHBondContact O-CB 3.48Å; D393-C396 PolarHBondContact O-N 3.26Å
394G92.9Very high89.9Confident8 Ų843.8 Ų43.88%0.08223%0.225CC..G310 helixtrans-64.2-23.6175.600000114.6N260 C368 L369 N392 C396N260-G394 PolarHBondContact ND2-O 3.13Å; C368-G394 VanDerWaalsContact SG-C 3.54Å; L369-G394 WeakPolarHBondContact CB-O 3.26Å; L369-G394 PolarHBondContact N-O 3.48Å; L369-G394 WeakPolarHBondContact O-CA 3.38Å; N392-G394 PolarHBondContact O-N 2.64Å; N392-G394 VanDerWaalsContact O-N 3.15Å; N392-G394 PolarHBondContact OD1-N 2.88Å; N392-G394 VanDerWaalsContact OD1-N 3.1Å; G394-C396 VanDerWaalsContact C-N 3.35Å
395S94.9Very high91.5Very high1 Ų132.9 Ų32.91%0.00719%0.186CC..G310 helixtrans-89-2.4177.5-47.40000113.3L367 C368 N392 D393L367-S395 WeakPolarHBondContact O-CA 3.46Å; C368-S395 PolarHBondContact SG-OG 3.26Å; C368-S395 VanDerWaalsContact SG-OG 3.42Å; N392-S395 PolarHBondContact O-N 2.82Å; D393-S395 PolarHBondContact O-N 2.84Å
396C95.2Very high92.9Very high12 Ų1235.3 Ų35.38%0.08120%0.195CC..  trans-94100.4-179.2-61.60000110.9N260 V336 D393 G394N260-C396 PolarHBondContact ND2-O 2.85Å; V336-C396 HydrophobicContact CG1-CB 4.48Å; D393-C396 WeakPolarHBondContact O-CB 3.48Å; D393-C396 PolarHBondContact O-N 3.26Å; G394-C396 VanDerWaalsContact C-N 3.35Å
397W97Very high93.9Very high0 Ų030.4 Ų30.40%016%0.159CC..EExtended strand (participates in β ladder)trans-98.4150.1-179.8-62.588.8000111.3L258 N260 L272 K354 C355 F357 L367 L369 I374L258-W397 HydrophobicContact CB-CE3 3.94Å; N260-W397 HydrophobicContact CB-CE3 4.22Å; N260-W397 HydrophobicContact CB-CZ3 4.22Å; L272-W397 HydrophobicContact CB-CH2 4.45Å; L272-W397 HydrophobicContact CB-CZ3 4.04Å; L272-W397 HydrophobicContact CD1-CH2 4.45Å; K354-W397 CarbonylContact C-O 3.56Å; K354-W397 VanDerWaalsContact CA-O 3.29Å; K354-W397 WeakPolarHBondContact CA-O 3.35Å; C355-W397 PolarHBondContact N-O 2.86Å; C355-W397 PolarHBondContact O-N 2.81Å; F357-W397 HydrophobicContact CD2-CB 4.41Å; F357-W397 AromaticContact CD2-CD1 3.78Å; F357-W397 HydrophobicContact CD2-CG 4.15Å; F357-W397 HydrophobicContact CE2-CB 3.77Å; F357-W397 AromaticContact CE2-CG 3.93Å; F357-W397 HydrophobicContact CE2-CG 3.93Å; L367-W397 HydrophobicContact CD2-CZ2 4.46Å; L367-W397 HydrophobicContact CG-CZ2 4.47Å; L367-W397 PolarHBondContact O-NE1 3.33Å; L369-W397 HydrophobicContact CB-CH2 4.13Å; L369-W397 HydrophobicContact CB-CZ2 4.02Å; I374-W397 HydrophobicContact CD1-CH2 3.7Å; I374-W397 HydrophobicContact CD1-CZ2 4.05Å
398T97.1Very high94.5Very high15 Ų1530.3 Ų30.39%0.09216%0.158CC..EExtended strand (participates in β ladder)trans-104.4127.1166.3-51.70000108.3L258 F259 L352 H353L258-T398 WeakPolarHBondContact CA-O 3.34Å; F259-T398 HydrophobicContact CD1-CG2 4.49Å; F259-T398 HydrophobicContact CE1-CG2 3.66Å; F259-T398 HydrophobicContact CE2-CG2 3.92Å; F259-T398 VanDerWaalsContact CZ-CB 3.46Å; F259-T398 HydrophobicContact CZ-CG2 3.33Å; F259-T398 PolarHBondContact N-O 3.38Å; F259-T398 PolarHBondContact O-N 3.49Å; L352-T398 HydrophobicContact CB-CG2 4.46Å; L352-T398 HydrophobicContact CD2-CG2 4.08Å; H353-T398 WeakPolarHBondContact O-CA 3.36Å
399I98.1Very high94.8Very high0 Ų025.1 Ų25.10%014%0.138CC..EExtended strand (participates in β ladder)trans-102.1138.8179.1-169.3168.9000110.9I250 V256 L258 I291 I333 V349 L352 H353I250-I399 HydrophobicContact CD1-CB 4.32Å; I250-I399 HydrophobicContact CD1-CD1 3.59Å; I250-I399 HydrophobicContact CD1-CG1 3.56Å; I250-I399 HydrophobicContact CD1-CG2 3.9Å; V256-I399 HydrophobicContact CB-CD1 4.37Å; V256-I399 HydrophobicContact CB-CG1 4.14Å; V256-I399 HydrophobicContact CG1-CD1 4.28Å; V256-I399 HydrophobicContact CG1-CG1 4.27Å; V256-I399 HydrophobicContact CG2-CD1 4.34Å; V256-I399 HydrophobicContact CG2-CG1 4.5Å; L258-I399 HydrophobicContact CD2-CB 3.71Å; L258-I399 HydrophobicContact CD2-CD1 4.09Å; L258-I399 HydrophobicContact CD2-CG1 3.69Å; I291-I399 HydrophobicContact CD1-CD1 4.15Å; I333-I399 HydrophobicContact CD1-CD1 4.39Å; V349-I399 HydrophobicContact CG1-CG2 3.77Å; L352-I399 VanDerWaalsContact CA-O 3.29Å; L352-I399 WeakPolarHBondContact CA-O 3.44Å; L352-I399 PolarHBondContact N-O 3Å; H353-I399 PolarHBondContact O-N 2.97Å; H353-I399 VanDerWaalsContact O-N 3.14Å
400I98.2Very high94.9Very high1 Ų124.6 Ų24.61%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-147.5137.4176.8-172.7171.3000110.2A114 V116 P130 V256 A257 F259 L352 V402A114-I400 HydrophobicContact CB-CD1 3.53Å; A114-I400 HydrophobicContact CB-CG1 4.23Å; V116-I400 HydrophobicContact CG2-CD1 3.83Å; V116-I400 HydrophobicContact CG2-CG1 4.09Å; P130-I400 HydrophobicContact CG-CG2 4.47Å; V256-I400 CarbonylContact C-O 3.56Å; V256-I400 WeakPolarHBondContact CA-O 3.5Å; V256-I400 WeakPolarHBondContact CB-O 3.46Å; A257-I400 HydrophobicContact CB-CG2 4.22Å; A257-I400 PolarHBondContact N-O 2.72Å; A257-I400 PolarHBondContact O-N 2.9Å; A257-I400 VanDerWaalsContact O-N 3.13Å; F259-I400 HydrophobicContact CD1-CG2 4.42Å; F259-I400 HydrophobicContact CE1-CG2 4.1Å; L352-I400 HydrophobicContact CD2-CB 4.3Å; L352-I400 HydrophobicContact CD2-CD1 3.76Å; L352-I400 HydrophobicContact CD2-CG1 4.38Å; L352-I400 HydrophobicContact CG-CD1 4.12Å; I400-V402 HydrophobicContact CG2-CG1 4.45Å
401G98.1Very high94.6Very high1 Ų122.1 Ų22.11%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-67.8138171.600000111.1K115 K255K115-G401 PolarHBondContact N-O 3.28Å; K255-G401 WeakPolarHBondContact O-CA 3.35Å
402V98.4Very high93.8Very high0 Ų023 Ų230%013%0.129CC..EExtended strand (participates in β ladder)trans-128.4161.5-178.2-60.40000110.8H113 K115 P130 K255 A257 W286 A288 I400H113-V402 CarbonylContact O-C 3.58Å; H113-V402 VanDerWaalsContact O-CA 3.26Å; H113-V402 WeakPolarHBondContact O-CA 3.18Å; H113-V402 WeakPolarHBondContact O-CB 3.37Å; K115-V402 WeakPolarHBondContact CE-O 3.4Å; P130-V402 HydrophobicContact CG-CG1 4.25Å; K255-V402 HydrophobicContact CB-CG2 3.89Å; K255-V402 PolarHBondContact O-N 3.49Å; A257-V402 HydrophobicContact CB-CG1 3.59Å; W286-V402 HydrophobicContact CH2-CB 4.07Å; W286-V402 HydrophobicContact CH2-CG1 3.95Å; W286-V402 HydrophobicContact CZ3-CB 3.92Å; W286-V402 HydrophobicContact CZ3-CG1 3.7Å; W286-V402 HydrophobicContact CZ3-CG2 4.05Å; A288-V402 HydrophobicContact CB-CG2 3.84Å; I400-V402 HydrophobicContact CG2-CG1 4.45Å
403E97.4Very high92.8Very high52 Ų5223.7 Ų23.724%0.24313%0.133CC..EExtended strand (participates in β ladder)trans-123.7148.9173.1-75.4-65.3163.400109.6L112 H113 K115 R228L112-E403 WeakPolarHBondContact CA-O 3.42Å; H113-E403 PolarHBondContact N-O 3.28Å; H113-E403 VanDerWaalsContact N-O 3.08Å; H113-E403 PolarHBondContact O-N 3.1Å; K115-E403 HydrophobicContact CD-CG 4.42Å; K115-E403 WeakPolarHBondContact CE-OE1 3.44Å; K115-E403 HydrophobicContact CG-CG 3.82Å; K115-E403 IonicContact NZ-OE1 3.21Å; K115-E403 PolarHBondContact NZ-OE1 3.12Å; R228-E403 HydrophobicContact CB-CB 4.33Å; R228-E403 HydrophobicContact CB-CG 4.09Å; R228-E403 HydrophobicContact CG-CB 4.43Å; R228-E403 HydrophobicContact CG-CG 4.31Å
404V96.3Very high91.5Very high47 Ų4725.8 Ų25.829%0.28516%0.158SC..EExtended strand (participates in β ladder)trans-126.6116.7174.6-175.30000106.3T110 L112 K255 A288T110-V404 HydrophobicContact CG2-CG1 3.57Å; L112-V404 HydrophobicContact CD1-CG1 4.33Å; L112-V404 HydrophobicContact CD2-CG2 4.26Å; L112-V404 HydrophobicContact CG-CB 4.44Å; L112-V404 HydrophobicContact CG-CG1 4.1Å; L112-V404 HydrophobicContact CG-CG2 4Å; K255-V404 HydrophobicContact CD-CG2 4.1Å; A288-V404 HydrophobicContact CB-CG2 3.88Å
405V95.2Very high90Very high14 Ų1425.6 Ų25.69%0.08516%0.155CC..EExtended strand (participates in β ladder)trans-116.1120.1-179.8-166.20000108.1T110 I111 R228 F407T110-V405 CarbonylContact C-O 3.54Å; T110-V405 VanDerWaalsContact CA-O 3.3Å; T110-V405 WeakPolarHBondContact CA-O 3.37Å; I111-V405 PolarHBondContact N-O 2.99Å; I111-V405 PolarHBondContact O-N 3.49Å; R228-V405 HydrophobicContact CB-CG2 4.35Å; R228-V405 HydrophobicContact CG-CG2 3.64Å; V405-F407 HydrophobicContact CB-CE2 4.21Å; V405-F407 HydrophobicContact CG1-CD2 4.43Å; V405-F407 HydrophobicContact CG1-CE1 4.39Å; V405-F407 HydrophobicContact CG1-CE2 3.59Å; V405-F407 HydrophobicContact CG1-CZ 3.56Å
406E94.8Very high88.7Confident117 Ų11726.3 Ų26.355%0.54716%0.159SC..EExtended strand (participates in β ladder)trans-110.3132.6178.6-173.3175-136.800110.6T110T110-E406 HydrophobicContact CG2-CB 4.35Å
407F95.8Very high87.5Confident12 Ų1234 Ų345%0.05319%0.193CC..EExtended strand (participates in β ladder)trans-114.2109.7173.8-61.1-84.1000108.1S108 V109 I111 F225 Q226 V405 F423S108-F407 CarbonylContact C-O 3.39Å; S108-F407 VanDerWaalsContact CA-O 3.3Å; S108-F407 WeakPolarHBondContact CA-O 3.4Å; V109-F407 HydrophobicContact CB-CB 4.38Å; V109-F407 PolarHBondContact N-O 3.2Å; V109-F407 WeakPolarHBondContact O-CD2 3.44Å; V109-F407 PolarHBondContact O-N 2.84Å; I111-F407 HydrophobicContact CD1-CE2 4.02Å; I111-F407 HydrophobicContact CG1-CE2 4.43Å; F225-F407 HydrophobicContact CB-CD2 3.99Å; F225-F407 HydrophobicContact CB-CE2 3.87Å; F225-F407 HydrophobicContact CB-CG 4.5Å; F225-F407 HydrophobicContact CB-CZ 4.27Å; F225-F407 HydrophobicContact CD1-CB 3.7Å; F225-F407 AromaticContact CD1-CD1 3.91Å; F225-F407 HydrophobicContact CD1-CD1 3.91Å; F225-F407 AromaticContact CD1-CD2 3.74Å; F225-F407 HydrophobicContact CD1-CD2 3.74Å; F225-F407 HydrophobicContact CD1-CE2 4.37Å; F225-F407 AromaticContact CD1-CG 3.49Å; F225-F407 HydrophobicContact CD1-CG 3.49Å; F225-F407 VanDerWaalsContact CD1-CG 3.49Å; F225-F407 HydrophobicContact CE1-CB 3.87Å; F225-F407 HydrophobicContact CE1-CG 4.17Å; F225-F407 HydrophobicContact CG-CD2 4.22Å; F225-F407 HydrophobicContact CG-CG 4.39Å; Q226-F407 VanDerWaalsContact O-CZ 3.24Å; Q226-F407 WeakPolarHBondContact O-CZ 3.39Å; V405-F407 HydrophobicContact CB-CE2 4.21Å; V405-F407 HydrophobicContact CG1-CD2 4.43Å; V405-F407 HydrophobicContact CG1-CE1 4.39Å; V405-F407 HydrophobicContact CG1-CE2 3.59Å; V405-F407 HydrophobicContact CG1-CZ 3.56Å; F407-F423 HydrophobicContact CB-CD2 4.33Å; F407-F423 HydrophobicContact CB-CE2 3.82Å; F407-F423 HydrophobicContact CB-CZ 3.97Å; F407-F423 HydrophobicContact CD1-CB 4.44Å; F407-F423 AromaticContact CD1-CD1 3.66Å; F407-F423 HydrophobicContact CD1-CD1 3.66Å; F407-F423 AromaticContact CD1-CD2 3.94Å; F407-F423 HydrophobicContact CD1-CD2 3.94Å; F407-F423 AromaticContact CD1-CE1 3.79Å; F407-F423 HydrophobicContact CD1-CE1 3.79Å; F407-F423 HydrophobicContact CD1-CE2 4.05Å; F407-F423 AromaticContact CD1-CG 3.74Å; F407-F423 HydrophobicContact CD1-CG 3.74Å; F407-F423 AromaticContact CD1-CZ 3.99Å; F407-F423 HydrophobicContact CD1-CZ 3.99Å; F407-F423 HydrophobicContact CE1-CD1 4.16Å; F407-F423 HydrophobicContact CE1-CG 4.31Å; F407-F423 HydrophobicContact CG-CE2 4.44Å
408T95.2Very high86.9Confident26 Ų2636.5 Ų36.516%0.1621%0.209CC..EExtended strand (participates in β ladder)trans-113.1124.1179.3-59.60000109.8D106 Q107 S108 R506D106-T408 HydrophobicContact CB-CG2 4.03Å; Q107-T408 WeakPolarHBondContact O-CA 3.1Å; S108-T408 PolarHBondContact OG-OG1 3.23Å; S108-T408 VanDerWaalsContact OG-OG1 3.11Å; T408-R506 HydrophobicContact CG2-CB 3.84Å; T408-R506 HydrophobicContact CG2-CG 3.81Å; T408-R506 PolarHBondContact O-N 2.98Å
409F94.2Very high86.6Confident0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-140.816517958.5-86.3000110.5Q107 V109 W141 F225 Q411 V420 F423 L503 I504 Y505Q107-F409 HydrophobicContact CB-CD2 3.98Å; Q107-F409 HydrophobicContact CB-CE1 4.33Å; Q107-F409 HydrophobicContact CB-CE2 3.66Å; Q107-F409 HydrophobicContact CB-CG 4.46Å; Q107-F409 HydrophobicContact CB-CZ 3.85Å; Q107-F409 HydrophobicContact CG-CE2 4.3Å; Q107-F409 PolarHBondContact N-O 3.32Å; Q107-F409 PolarHBondContact O-N 3.41Å; Q107-F409 VanDerWaalsContact OE1-CD2 3.25Å; V109-F409 HydrophobicContact CG2-CE1 4.13Å; W141-F409 AromaticContact CH2-CZ 3.86Å; W141-F409 HydrophobicContact CH2-CZ 3.86Å; W141-F409 HydrophobicContact CZ2-CE1 4.25Å; W141-F409 AromaticContact CZ2-CZ 3.68Å; W141-F409 HydrophobicContact CZ2-CZ 3.68Å; F225-F409 HydrophobicContact CE1-CD1 4.45Å; F225-F409 AromaticContact CE1-CE1 3.92Å; F225-F409 HydrophobicContact CE1-CE1 3.92Å; F225-F409 AromaticContact CZ-CE1 3.86Å; F225-F409 HydrophobicContact CZ-CE1 3.86Å; F225-F409 HydrophobicContact CZ-CZ 4.33Å; F409-Q411 HydrophobicContact CD2-CB 4.29Å; F409-Q411 HydrophobicContact CE2-CB 4.44Å; F409-V420 HydrophobicContact CD2-CB 4.47Å; F409-V420 HydrophobicContact CD2-CG1 3.75Å; F409-V420 HydrophobicContact CE1-CG2 4.26Å; F409-V420 HydrophobicContact CE2-CB 4.47Å; F409-V420 HydrophobicContact CE2-CG1 3.59Å; F409-V420 HydrophobicContact CG-CG1 4.38Å; F409-V420 HydrophobicContact CZ-CG1 4.1Å; F409-V420 HydrophobicContact CZ-CG2 4.22Å; F409-F423 HydrophobicContact CB-CE2 4.24Å; F409-F423 AromaticContact CD1-CE2 3.96Å; F409-F423 HydrophobicContact CD1-CE2 3.96Å; F409-L503 HydrophobicContact CB-CD1 4.16Å; F409-L503 HydrophobicContact CD2-CD1 4.02Å; F409-I504 CarbonylContact C-O 3.51Å; F409-I504 WeakPolarHBondContact CA-O 3.27Å; F409-I504 WeakPolarHBondContact CB-O 3.28Å; F409-Y505 HydrophobicContact CB-CD1 4.34Å
410N91.6Very high86.3Confident13 Ų1338 Ų387%0.0722%0.219CC..EExtended strand (participates in β ladder)trans-131102176.9-170.3-50.3000108E102 D106 I504E102-N410 PolarHBondContact O-ND2 3.07Å; D106-N410 WeakPolarHBondContact OD1-CB 3.25Å; D106-N410 PolarHBondContact OD1-ND2 2.99Å; N410-I504 HydrophobicContact CB-CB 4.21Å; N410-I504 PolarHBondContact N-O 3.5Å; N410-I504 PolarHBondContact O-N 3.37Å; N410-I504 VanDerWaalsContact O-N 3.09Å
411Q84.8Confident86Confident14 Ų1439 Ų397%0.06523%0.226CC..  trans-94.6106.9177.5-164.8171.322.300108.9F409 C415 T418 L503F409-Q411 HydrophobicContact CD2-CB 4.29Å; F409-Q411 HydrophobicContact CE2-CB 4.44Å; Q411-C415 HydrophobicContact CG-CB 3.78Å; Q411-C415 PolarHBondContact NE2-O 2.85Å; Q411-T418 PolarHBondContact NE2-O 2.82Å; Q411-T418 VanDerWaalsContact NE2-O 3.08Å; Q411-L503 HydrophobicContact CB-CD1 3.86Å; Q411-L503 HydrophobicContact CG-CD1 4.19Å
412G74.3Confident85.6Confident27 Ų2742.9 Ų42.928%0.27825%0.251SS..  trans-62.4157.9170.800000111.6A414 C415G412-A414 PolarHBondContact O-N 2.94Å; G412-A414 VanDerWaalsContact O-N 3.08Å; G412-C415 WeakPolarHBondContact O-CB 3.41Å; G412-C415 PolarHBondContact O-N 3.29Å
413L68.6Low85.4Confident83 Ų8343.9 Ų43.944%0.43526%0.255SS..G310 helixtrans-55.4-32.3-175-60.4176.2000114.1V143 H147 C415 I416V143-L413 HydrophobicContact CG1-CD2 4.4Å; H147-L413 HydrophobicContact CB-CD2 3.67Å; L413-C415 VanDerWaalsContact C-N 3.27Å; L413-C415 PolarHBondContact O-N 3.31Å; L413-I416 HydrophobicContact CD2-CD1 4.38Å
414A62.8Low85.3Confident99 Ų9941.8 Ų41.882%0.81825%0.246SC*.G310 helixtrans-72-19177.700000113.8G412G412-A414 PolarHBondContact O-N 2.94Å; G412-A414 VanDerWaalsContact O-N 3.08Å
415C62Low85Confident4 Ų441.5 Ų41.53%0.02724%0.243CC..G310 helixtrans-97.9-2.6-171.6-170.40000113Q411 G412 L413 Q417 T418 D501Q411-C415 HydrophobicContact CG-CB 3.78Å; Q411-C415 PolarHBondContact NE2-O 2.85Å; G412-C415 WeakPolarHBondContact O-CB 3.41Å; G412-C415 PolarHBondContact O-N 3.29Å; L413-C415 VanDerWaalsContact C-N 3.27Å; L413-C415 PolarHBondContact O-N 3.31Å; C415-Q417 PolarHBondContact O-N 3.48Å; C415-T418 PolarHBondContact O-N 3.25Å; C415-T418 VanDerWaalsContact O-N 3.16Å; C415-T418 PolarHBondContact O-OG1 3Å; C415-T418 PolarHBondContact SG-OG1 2.79Å; C415-T418 VanDerWaalsContact SG-OG1 3.34Å; C415-D501 PolarHBondContact SG-OD2 3.13Å
416I67Low85Confident16 Ų1641.7 Ų41.78%0.08224%0.243CC..THydrogen-bonded Turntrans-54.2-33.1-175.4-63.1170.3000111.3M144 L216 Q220 L413 T418M144-I416 HydrophobicContact CG-CD1 3.92Å; M144-I416 HydrophobicContact CG-CG1 4.3Å; L216-I416 HydrophobicContact CD1-CG2 4.37Å; Q220-I416 PolarHBondContact NE2-O 2.87Å; L413-I416 HydrophobicContact CD2-CD1 4.38Å; I416-T418 PolarHBondContact O-N 3.01Å
417Q71.6Confident84.9Confident172 Ų17240.4 Ų40.480%0.80424%0.24SC*.THydrogen-bonded Turntrans-67.1-24.2-176.2-64.4-170.5-8.100115.7Q220 C415Q220-Q417 VanDerWaalsContact NE2-CA 3.26Å; C415-Q417 PolarHBondContact O-N 3.48Å
418T84.1Confident84.7Confident54 Ų5440.9 Ų40.933%0.33125%0.248SC..SBendtrans-102.1136.3179.650.90000110.4Q411 C415 I416 R499 D501Q411-T418 PolarHBondContact NE2-O 2.82Å; Q411-T418 VanDerWaalsContact NE2-O 3.08Å; C415-T418 PolarHBondContact O-N 3.25Å; C415-T418 VanDerWaalsContact O-N 3.16Å; C415-T418 PolarHBondContact O-OG1 3Å; C415-T418 PolarHBondContact SG-OG1 2.79Å; C415-T418 VanDerWaalsContact SG-OG1 3.34Å; I416-T418 PolarHBondContact O-N 3.01Å; T418-R499 PolarHBondContact OG1-NH2 3.39Å; T418-D501 PolarHBondContact OG1-OD2 3.2Å
419P90.2Very high84.6Confident45 Ų4540.7 Ų40.729%0.29225%0.246SC..  trans-64.6150.6176.927.9-34.3000110.2E221 V222 S421 R499E221-P419 HydrophobicContact CG-CB 4.33Å; V222-P419 CarbonylContact O-C 3.58Å; V222-P419 WeakPolarHBondContact O-CA 3.4Å; P419-S421 PolarHBondContact O-N 3.33Å; P419-R499 PolarHBondContact O-NH1 2.86Å; P419-R499 PolarHBondContact O-NH2 2.83Å; P419-R499 VanDerWaalsContact O-NH2 3.11Å
420V92.3Very high84.6Confident0 Ų045.5 Ų45.50%027%0.269CS..  trans-75.8-10.4176.1-52.70000112.6V222 F225 F409 L503 Y505V222-V420 WeakPolarHBondContact O-CG2 3.41Å; V222-V420 PolarHBondContact O-N 2.86Å; F225-V420 HydrophobicContact CE1-CG2 3.87Å; F225-V420 HydrophobicContact CE2-CG2 4.47Å; F225-V420 HydrophobicContact CZ-CG2 3.54Å; F409-V420 HydrophobicContact CD2-CB 4.47Å; F409-V420 HydrophobicContact CD2-CG1 3.75Å; F409-V420 HydrophobicContact CE1-CG2 4.26Å; F409-V420 HydrophobicContact CE2-CB 4.47Å; F409-V420 HydrophobicContact CE2-CG1 3.59Å; F409-V420 HydrophobicContact CG-CG1 4.38Å; F409-V420 HydrophobicContact CZ-CG1 4.1Å; F409-V420 HydrophobicContact CZ-CG2 4.22Å; V420-L503 HydrophobicContact CB-CD2 3.88Å; V420-L503 HydrophobicContact CG1-CD1 4.12Å; V420-L503 HydrophobicContact CG1-CD2 3.89Å; V420-Y505 WeakPolarHBondContact O-CE1 3.32Å; V420-Y505 PolarHBondContact O-OH 3.32Å; V420-Y505 VanDerWaalsContact O-OH 3.04Å
421S90.5Very high84.6Confident22 Ų2246.3 Ų46.315%0.15427%0.274CS..PPolyproline II helixtrans-86152.7173.1460000112.1S224 P419S224-S421 PolarHBondContact N-OG 3.23Å; P419-S421 PolarHBondContact O-N 3.33Å
422P91.2Very high84.7Confident84 Ų8448.1 Ų48.155%0.54528%0.284SS..SBendcis-74.3133.5-1.732.9-36000111.5N446P422-N446 HydrophobicContact CB-CB 4.03Å
423F93.7Very high84.8Confident20 Ų2049.6 Ų49.69%0.08830%0.299CS..PPolyproline II helixtrans-77.6124.2-177.1-159.4-78000109.5F225 F407 F409 N446 Y505F225-F423 HydrophobicContact CD1-CD2 4.39Å; F225-F423 HydrophobicContact CE1-CD2 4.12Å; F225-F423 HydrophobicContact CE1-CE2 4.46Å; F407-F423 HydrophobicContact CB-CD2 4.33Å; F407-F423 HydrophobicContact CB-CE2 3.82Å; F407-F423 HydrophobicContact CB-CZ 3.97Å; F407-F423 HydrophobicContact CD1-CB 4.44Å; F407-F423 AromaticContact CD1-CD1 3.66Å; F407-F423 HydrophobicContact CD1-CD1 3.66Å; F407-F423 AromaticContact CD1-CD2 3.94Å; F407-F423 HydrophobicContact CD1-CD2 3.94Å; F407-F423 AromaticContact CD1-CE1 3.79Å; F407-F423 HydrophobicContact CD1-CE1 3.79Å; F407-F423 HydrophobicContact CD1-CE2 4.05Å; F407-F423 AromaticContact CD1-CG 3.74Å; F407-F423 HydrophobicContact CD1-CG 3.74Å; F407-F423 AromaticContact CD1-CZ 3.99Å; F407-F423 HydrophobicContact CD1-CZ 3.99Å; F407-F423 HydrophobicContact CE1-CD1 4.16Å; F407-F423 HydrophobicContact CE1-CG 4.31Å; F407-F423 HydrophobicContact CG-CE2 4.44Å; F409-F423 HydrophobicContact CB-CE2 4.24Å; F409-F423 AromaticContact CD1-CE2 3.96Å; F409-F423 HydrophobicContact CD1-CE2 3.96Å; F423-N446 WeakPolarHBondContact O-CB 3.39Å; F423-N446 PolarHBondContact O-ND2 3.13Å; F423-Y505 HydrophobicContact CD1-CD1 4.48Å; F423-Y505 AromaticContact CD2-CD1 3.87Å; F423-Y505 HydrophobicContact CD2-CD1 3.87Å; F423-Y505 AromaticContact CD2-CE1 3.96Å; F423-Y505 HydrophobicContact CD2-CE1 3.96Å; F423-Y505 HydrophobicContact CE1-CD1 4.28Å; F423-Y505 AromaticContact CE2-CD1 3.64Å; F423-Y505 HydrophobicContact CE2-CD1 3.64Å; F423-Y505 HydrophobicContact CE2-CE1 4.15Å; F423-Y505 HydrophobicContact CG-CD1 4.29Å; F423-Y505 HydrophobicContact CG-CE1 4.41Å; F423-Y505 AromaticContact CZ-CD1 3.86Å; F423-Y505 HydrophobicContact CZ-CD1 3.86Å
424P94.4Very high84.5Confident8 Ų847.5 Ų47.55%0.05230%0.298CS..PPolyproline II helixtrans-72.4134.5-179.429.5-33.4000111F447 L451 L497 Y505P424-F447 HydrophobicContact CB-CD1 3.93Å; P424-F447 HydrophobicContact CB-CE1 3.98Å; P424-L451 HydrophobicContact CB-CD1 3.93Å; P424-L451 HydrophobicContact CG-CD1 4.3Å; P424-L497 HydrophobicContact CB-CD1 3.67Å; P424-L497 HydrophobicContact CG-CD1 3.81Å; P424-Y505 VanDerWaalsContact CD-CD1 3.5Å; P424-Y505 HydrophobicContact CG-CD1 3.94Å; P424-Y505 HydrophobicContact CG-CD2 3.52Å; P424-Y505 HydrophobicContact CG-CE1 4.31Å; P424-Y505 HydrophobicContact CG-CE2 3.92Å; P424-Y505 HydrophobicContact CG-CG 3.51Å
425I91.8Very high84.6Confident42 Ų4245.2 Ų45.222%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-118.2127-179.4-57.9174.8000108.3G444 E445I425-G444 CarbonylContact O-C 3.53Å; I425-G444 WeakPolarHBondContact O-CA 3.22Å; I425-E445 HydrophobicContact CB-CB 4.45Å; I425-E445 PolarHBondContact N-O 2.76Å; I425-E445 PolarHBondContact O-N 2.69Å
426I93.8Very high84.5Confident18 Ų1854.7 Ų54.79%0.09233%0.327CS..EExtended strand (participates in β ladder)trans-101.1117.6175.3-58.2177.3000109L429 I442 F447 M453 L497 T507 Y509I426-L429 HydrophobicContact CG2-CD2 3.87Å; I426-L429 HydrophobicContact CG2-CG 4.03Å; I426-I442 HydrophobicContact CD1-CG2 4.03Å; I426-I442 HydrophobicContact CG1-CG2 3.93Å; I426-I442 HydrophobicContact CG2-CG2 4.06Å; I426-F447 HydrophobicContact CG1-CE1 4.35Å; I426-F447 HydrophobicContact CG1-CZ 4.18Å; I426-M453 HydrophobicContact CD1-CE 4.35Å; I426-L497 HydrophobicContact CD1-CD1 4.2Å; I426-L497 HydrophobicContact CG1-CD1 4.37Å; I426-T507 HydrophobicContact CD1-CG2 3.72Å; I426-Y509 HydrophobicContact CB-CD2 4.13Å; I426-Y509 HydrophobicContact CB-CE2 3.64Å; I426-Y509 HydrophobicContact CD1-CD2 4.4Å; I426-Y509 HydrophobicContact CG2-CD2 3.9Å; I426-Y509 HydrophobicContact CG2-CE2 3.45Å; I426-Y509 VanDerWaalsContact CG2-CE2 3.45Å; I426-Y509 PolarHBondContact O-OH 2.88Å; I426-Y509 VanDerWaalsContact O-OH 3.09Å
427N92.3Very high85Confident89 Ų8958 Ų5848%0.47635%0.348SS..EExtended strand (participates in β ladder)trans-97.3-24.1178.8-68.1-22.4000112.3H443N427-H443 PolarHBondContact N-O 3.2Å
428G92.3Very high85.8Confident22 Ų2250.6 Ų50.623%0.22732%0.316CS..EExtended strand (participates in β ladder)trans-166.4156179.700000112.3H443G428-H443 PolarHBondContact N-O 3.14Å; G428-H443 VanDerWaalsContact N-O 3.11Å; G428-H443 PolarHBondContact O-N 2.9Å
429L94.2Very high86.2Confident23 Ų2349.4 Ų49.412%0.1231%0.307CS..EExtended strand (participates in β ladder)trans-130.2136177.8-67.5176.9000108I426 L440 E441 I442 L495 Y509 L558I426-L429 HydrophobicContact CG2-CD2 3.87Å; I426-L429 HydrophobicContact CG2-CG 4.03Å; L429-L440 HydrophobicContact CB-CD1 4.23Å; L429-L440 HydrophobicContact CD2-CD2 4.33Å; L429-L440 HydrophobicContact CD2-CG 4.45Å; L429-E441 WeakPolarHBondContact CA-O 3.48Å; L429-I442 HydrophobicContact CD2-CB 3.98Å; L429-I442 HydrophobicContact CD2-CG1 3.63Å; L429-I442 HydrophobicContact CD2-CG2 3.82Å; L429-L495 HydrophobicContact CD1-CD1 3.64Å; L429-Y509 HydrophobicContact CD1-CD1 3.69Å; L429-Y509 HydrophobicContact CD1-CD2 4.29Å; L429-Y509 HydrophobicContact CD1-CE1 4.41Å; L429-Y509 HydrophobicContact CD1-CG 3.61Å; L429-Y509 HydrophobicContact CG-CD1 4.39Å; L429-Y509 HydrophobicContact CG-CG 4.47Å; L429-L558 HydrophobicContact CB-CD1 3.97Å; L429-L558 HydrophobicContact CB-CD2 3.65Å; L429-L558 HydrophobicContact CB-CG 4.48Å; L429-L558 HydrophobicContact CD1-CD2 3.6Å; L429-L558 HydrophobicContact CG-CD2 4.28Å; L429-L558 WeakPolarHBondContact O-CD1 3.43Å
430E93.3Very high86.4Confident100 Ų10047.2 Ų47.247%0.46729%0.293SS..EExtended strand (participates in β ladder)trans-134.3127.5179.4-174.6173.6-168.600108.9E441 H443E430-E441 HydrophobicContact CB-CB 4.48Å; E430-E441 PolarHBondContact N-O 3.05Å; E430-E441 PolarHBondContact O-N 3.48Å; E430-H443 IonicContact OE2-CE1 3.64Å
431V90.9Very high86.5Confident30 Ų3048.6 Ų48.618%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-92.4122.5176.7-177.50000108.1L440 I474 F511 F556 L558V431-L440 HydrophobicContact CG2-CD1 3.75Å; V431-I474 HydrophobicContact CG1-CD1 3.76Å; V431-F511 HydrophobicContact CG2-CE2 4.01Å; V431-F556 HydrophobicContact CB-CB 4.16Å; V431-F556 HydrophobicContact CB-CD2 4.02Å; V431-F556 HydrophobicContact CB-CG 4.19Å; V431-F556 HydrophobicContact CG1-CB 4.23Å; V431-F556 HydrophobicContact CG1-CD1 4.29Å; V431-F556 HydrophobicContact CG1-CD2 3.34Å; V431-F556 HydrophobicContact CG1-CE2 3.6Å; V431-F556 HydrophobicContact CG1-CG 3.71Å; V431-F556 HydrophobicContact CG1-CZ 4.2Å; V431-F556 HydrophobicContact CG2-CB 4.07Å; V431-F556 HydrophobicContact CG2-CG 4.37Å; V431-L558 HydrophobicContact CG2-CD1 4.23Å
432N86.9Confident86.7Confident52 Ų5247.5 Ų47.528%0.27829%0.292SS..EExtended strand (participates in β ladder)trans-115.7137.1-178.9-71.3-34.3000110.2M439 E441N432-M439 PolarHBondContact N-O 3.42Å; N432-M439 PolarHBondContact O-N 2.83Å; N432-M439 VanDerWaalsContact O-O 3.12Å; N432-E441 PolarHBondContact ND2-OE2 2.74Å
433G75.9Confident87Confident58 Ų5847 Ų4760%0.59828%0.282SS*.  trans92.8-179.6178.600000114.4
434G64.3Low87Confident39 Ų3946.3 Ų46.340%0.40228%0.281SS..  trans-170.3147.8179.400000109.7
435G63.3Low87Confident51 Ų5150 Ų5053%0.52630%0.298SS..SBendtrans93.2-127.1-176.900000113.5V437G435-V437 PolarHBondContact O-N 2.96Å
436H59.9Low87.1Confident203 Ų20351.1 Ų51.194%0.9430%0.304SS*.SBendtrans-70.1-25.3-169.3-67.6-58.3000115.5
437V78Confident87.2Confident87 Ų8750.7 Ų50.753%0.52730%0.302SS..  trans-139.7104.4178.1-175.50000108.6G435 M439 V473G435-V437 PolarHBondContact O-N 2.96Å; V437-M439 HydrophobicContact CG1-CG 4.16Å; V437-M439 HydrophobicContact CG1-SD 3.53Å; V437-M439 VanDerWaalsContact CG1-SD 3.53Å; V437-V473 HydrophobicContact CG1-CG1 4.33Å
438A88.1Confident87.3Confident16 Ų1648 Ų4813%0.13229%0.29CS..  trans-94.4137.2168.900000109I474 F556A438-I474 HydrophobicContact CB-CB 4.18Å; A438-I474 HydrophobicContact CB-CD1 3.86Å; A438-I474 HydrophobicContact CB-CG1 4.47Å; A438-I474 WeakPolarHBondContact O-CB 3.31Å; A438-I474 PolarHBondContact O-N 3.5Å; A438-F556 HydrophobicContact CB-CZ 4.26Å
439M92.1Very high87.5Confident28 Ų2851.1 Ų51.114%0.13831%0.306CS..EExtended strand (participates in β ladder)trans-121.4143.6-176.7-58-63.1-63.900110N432 V437 M463 L471 C472 V473N432-M439 PolarHBondContact N-O 3.42Å; N432-M439 PolarHBondContact O-N 2.83Å; N432-M439 VanDerWaalsContact O-O 3.12Å; V437-M439 HydrophobicContact CG1-CG 4.16Å; V437-M439 HydrophobicContact CG1-SD 3.53Å; V437-M439 VanDerWaalsContact CG1-SD 3.53Å; M439-M463 HydrophobicContact CE-CE 3.2Å; M439-L471 HydrophobicContact CB-CD1 3.96Å; M439-L471 HydrophobicContact CE-CD1 4.22Å; M439-L471 HydrophobicContact CE-CD2 3.88Å; M439-L471 HydrophobicContact CE-CG 3.64Å; M439-C472 CarbonylContact C-O 3.56Å; M439-C472 WeakPolarHBondContact CA-O 3.42Å; M439-V473 HydrophobicContact CE-CB 4.4Å; M439-V473 HydrophobicContact CE-CG2 3.73Å; M439-V473 HydrophobicContact SD-CB 4.04Å; M439-V473 HydrophobicContact SD-CG1 4.28Å; M439-V473 HydrophobicContact SD-CG2 3.65Å
440L94.3Very high87.5Confident0 Ų055.1 Ų55.10%032%0.324CS..EExtended strand (participates in β ladder)trans-110.1115.1172.2-178.471.5000108.9L429 V431 I442 F455 C472 I474 L495L429-L440 HydrophobicContact CB-CD1 4.23Å; L429-L440 HydrophobicContact CD2-CD2 4.33Å; L429-L440 HydrophobicContact CD2-CG 4.45Å; V431-L440 HydrophobicContact CG2-CD1 3.75Å; L440-I442 HydrophobicContact CD2-CG1 4.35Å; L440-I442 HydrophobicContact CG-CG1 4.25Å; L440-F455 HydrophobicContact CB-CZ 4.45Å; L440-F455 HydrophobicContact CD2-CE1 4.33Å; L440-F455 HydrophobicContact CD2-CZ 3.86Å; L440-C472 PolarHBondContact N-O 2.91Å; L440-C472 PolarHBondContact O-N 3.33Å; L440-I474 HydrophobicContact CB-CD1 4.13Å; L440-I474 HydrophobicContact CB-CG1 3.9Å; L440-L495 HydrophobicContact CD2-CD1 4.05Å
441E95.3Very high87.6Confident28 Ų2850.7 Ų50.713%0.13130%0.303CS..EExtended strand (participates in β ladder)trans-89.5128170.8-174153.4-15800110.5L429 E430 N432 H443 K465 S469 L471L429-E441 WeakPolarHBondContact CA-O 3.48Å; E430-E441 HydrophobicContact CB-CB 4.48Å; E430-E441 PolarHBondContact N-O 3.05Å; E430-E441 PolarHBondContact O-N 3.48Å; N432-E441 PolarHBondContact ND2-OE2 2.74Å; E441-H443 IonicContact OE1-NE2 2.71Å; E441-K465 IonicContact OE1-NZ 2.62Å; E441-K465 PolarHBondContact OE1-NZ 3.22Å; E441-K465 IonicContact OE2-NZ 2.7Å; E441-K465 PolarHBondContact OE2-NZ 3.48Å; E441-K465 VanDerWaalsContact OE2-NZ 3.14Å; E441-S469 PolarHBondContact OE1-OG 2.96Å; E441-L471 HydrophobicContact CB-CD1 3.92Å
442I95.8Very high87.8Confident0 Ų053.2 Ų53.20%031%0.312CS..EExtended strand (participates in β ladder)trans-115.3114.1-172.9-55.5138.9000107.8I426 L429 L440 F447 M453 S469 L470I426-I442 HydrophobicContact CD1-CG2 4.03Å; I426-I442 HydrophobicContact CG1-CG2 3.93Å; I426-I442 HydrophobicContact CG2-CG2 4.06Å; L429-I442 HydrophobicContact CD2-CB 3.98Å; L429-I442 HydrophobicContact CD2-CG1 3.63Å; L429-I442 HydrophobicContact CD2-CG2 3.82Å; L440-I442 HydrophobicContact CD2-CG1 4.35Å; L440-I442 HydrophobicContact CG-CG1 4.25Å; I442-F447 HydrophobicContact CG2-CE2 4.1Å; I442-F447 HydrophobicContact CG2-CZ 3.71Å; I442-M453 HydrophobicContact CD1-CB 4.48Å; I442-M453 HydrophobicContact CD1-CE 3.28Å; I442-M453 HydrophobicContact CG1-CE 3.64Å; I442-M453 HydrophobicContact CG2-CE 4.4Å; I442-S469 VanDerWaalsContact O-CA 3.3Å; I442-S469 WeakPolarHBondContact O-CA 3.49Å; I442-L470 HydrophobicContact CB-CB 4.19Å; I442-L470 HydrophobicContact CD1-CB 3.87Å; I442-L470 PolarHBondContact N-O 2.83Å; I442-L470 PolarHBondContact O-N 2.89Å
443H96.3Very high88.3Confident72 Ų7250.7 Ų50.733%0.33330%0.299SS..EExtended strand (participates in β ladder)trans-100.2135178.9-65.298.6000110.5N427 G428 E430 E441N427-H443 PolarHBondContact N-O 3.2Å; G428-H443 PolarHBondContact N-O 3.14Å; G428-H443 VanDerWaalsContact N-O 3.11Å; G428-H443 PolarHBondContact O-N 2.9Å; E430-H443 IonicContact OE2-CE1 3.64Å; E441-H443 IonicContact OE1-NE2 2.71Å
444G94.6Very high89.2Confident7 Ų748.7 Ų48.77%0.07227%0.274CS..EExtended strand (participates in β ladder)trans179.5-152.4-171.400000114.9I425 K468I425-G444 CarbonylContact O-C 3.53Å; I425-G444 WeakPolarHBondContact O-CA 3.22Å; G444-K468 PolarHBondContact N-O 3.05Å; G444-K468 WeakPolarHBondContact O-CA 3.2Å; G444-K468 WeakPolarHBondContact O-CB 3.26Å
445E93.9Very high90.5Very high85 Ų8546.8 Ų46.840%0.39726%0.255SS..EExtended strand (participates in β ladder)trans-141.5158.6-179.9-61.3-178.4-174.500110.4I425 F447 P467I425-E445 HydrophobicContact CB-CB 4.45Å; I425-E445 PolarHBondContact N-O 2.76Å; I425-E445 PolarHBondContact O-N 2.69Å; E445-F447 VanDerWaalsContact C-N 3.28Å; E445-F447 PolarHBondContact O-N 2.87Å; E445-P467 CarbonylContact C-O 3.58Å
446N94.3Very high91.8Very high65 Ų6545.6 Ų45.635%0.34824%0.242SC..SBendtrans60.829.1176.7-59.5-31.2000115P422 F423 P467P422-N446 HydrophobicContact CB-CB 4.03Å; F423-N446 WeakPolarHBondContact O-CB 3.39Å; F423-N446 PolarHBondContact O-ND2 3.13Å; N446-P467 PolarHBondContact N-O 2.72Å; N446-P467 VanDerWaalsContact N-O 3.14Å
447F96.2Very high93Very high9 Ų942 Ų424%0.03923%0.23CC..  trans-75.9151.4172.6-58.7-37.5000112P424 I426 I442 E445 L451 F464 P467 L470 L497P424-F447 HydrophobicContact CB-CD1 3.93Å; P424-F447 HydrophobicContact CB-CE1 3.98Å; I426-F447 HydrophobicContact CG1-CE1 4.35Å; I426-F447 HydrophobicContact CG1-CZ 4.18Å; I442-F447 HydrophobicContact CG2-CE2 4.1Å; I442-F447 HydrophobicContact CG2-CZ 3.71Å; E445-F447 VanDerWaalsContact C-N 3.28Å; E445-F447 PolarHBondContact O-N 2.87Å; F447-L451 HydrophobicContact CD1-CD1 4.13Å; F447-F464 HydrophobicContact CB-CE2 4.29Å; F447-P467 PolarHBondContact N-O 2.85Å; F447-P467 WeakPolarHBondContact O-CA 3.29Å; F447-L470 HydrophobicContact CB-CD1 4.14Å; F447-L470 HydrophobicContact CB-CD2 4.02Å; F447-L470 HydrophobicContact CB-CG 3.89Å; F447-L470 HydrophobicContact CD1-CD1 3.8Å; F447-L470 HydrophobicContact CD1-CG 4.25Å; F447-L470 HydrophobicContact CD2-CD1 4.17Å; F447-L470 HydrophobicContact CD2-CG 3.73Å; F447-L470 HydrophobicContact CE1-CD1 4.24Å; F447-L470 HydrophobicContact CE2-CG 4.3Å; F447-L470 HydrophobicContact CG-CD1 3.78Å; F447-L470 HydrophobicContact CG-CD2 4.39Å; F447-L470 HydrophobicContact CG-CG 3.7Å; F447-L497 HydrophobicContact CD1-CD1 4.47Å; F447-L497 HydrophobicContact CE1-CD1 3.99Å
448S94.6Very high93.5Very high32 Ų3243.3 Ų43.322%0.22423%0.225CC..  trans-139.1160.9175.774.90000110.6H450 L451 F464S448-H450 PolarHBondContact O-N 3.49Å; S448-H450 PolarHBondContact OG-N 2.88Å; S448-L451 PolarHBondContact O-N 2.76Å; S448-L451 VanDerWaalsContact O-N 3.15Å; S448-F464 VanDerWaalsContact C-CD2 3.41Å
449P95.2Very high93.7Very high88 Ų8847.6 Ų47.657%0.57124%0.243SC*.THydrogen-bonded Turntrans-61.1-13.6175.2-21.832.8000114.5L451 F464P449-L451 VanDerWaalsContact C-N 3.33Å; P449-F464 HydrophobicContact CB-CB 4.33Å; P449-F464 HydrophobicContact CB-CD1 4.47Å; P449-F464 HydrophobicContact CB-CG 4.3Å; P449-F464 HydrophobicContact CG-CB 4.47Å; P449-F464 HydrophobicContact CG-CD1 3.77Å; P449-F464 HydrophobicContact CG-CD2 4.33Å; P449-F464 HydrophobicContact CG-CE1 3.99Å; P449-F464 HydrophobicContact CG-CG 3.93Å; P449-F464 HydrophobicContact CG-CZ 4.36Å
450H94.4Very high93.8Very high107 Ų10746.5 Ų46.550%0.49524%0.238SC..THydrogen-bonded Turntrans-89.61.6-179.7-53.9-56.8000113.2S448 R499 T500S448-H450 PolarHBondContact O-N 3.49Å; S448-H450 PolarHBondContact OG-N 2.88Å; H450-R499 HydrophobicContact CB-CG 4.32Å; H450-R499 CarbonylContact O-C 3.56Å; H450-R499 VanDerWaalsContact O-CA 3.29Å; H450-R499 WeakPolarHBondContact O-CA 3.37Å; H450-T500 HydrophobicContact CB-CG2 3.94Å; H450-T500 PolarHBondContact O-N 3.21Å
451L95.7Very high93.7Very high7 Ų753.3 Ų53.34%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-98.2138.5177.8-63.8177.2000111P424 F447 S448 P449 L470 I498 R499 Y505P424-L451 HydrophobicContact CB-CD1 3.93Å; P424-L451 HydrophobicContact CG-CD1 4.3Å; F447-L451 HydrophobicContact CD1-CD1 4.13Å; S448-L451 PolarHBondContact O-N 2.76Å; S448-L451 VanDerWaalsContact O-N 3.15Å; P449-L451 VanDerWaalsContact C-N 3.33Å; L451-L470 HydrophobicContact CB-CD1 4.36Å; L451-I498 CarbonylContact C-O 3.44Å; L451-I498 WeakPolarHBondContact CA-O 3.39Å; L451-R499 HydrophobicContact CD2-CB 3.94Å; L451-R499 HydrophobicContact CD2-CG 4.31Å; L451-Y505 HydrophobicContact CD2-CD2 4.19Å; L451-Y505 HydrophobicContact CD2-CE2 3.75Å
452K95.8Very high93.8Very high83 Ų8353.2 Ų53.236%0.36127%0.271SS..EExtended strand (participates in β ladder)trans-127.9149.2171.4-60.4-173.8-178.8-172.50110.7E459 L497 I498K452-E459 HydrophobicContact CB-CG 4.09Å; K452-E459 HydrophobicContact CD-CG 3.85Å; K452-E459 WeakPolarHBondContact CD-OE1 3.32Å; K452-E459 VanDerWaalsContact CE-OE1 3.32Å; K452-E459 WeakPolarHBondContact CE-OE1 3.43Å; K452-E459 IonicContact NZ-OE1 2.72Å; K452-E459 PolarHBondContact NZ-OE1 2.79Å; K452-L497 CarbonylContact O-C 3.52Å; K452-L497 WeakPolarHBondContact O-CA 3.44Å; K452-I498 HydrophobicContact CB-CG2 3.97Å; K452-I498 PolarHBondContact N-O 3.42Å; K452-I498 PolarHBondContact O-N 2.96Å
453M96.1Very high93.8Very high0 Ų057.1 Ų57.10%029%0.29CS..EExtended strand (participates in β ladder)trans-82136.8176-175.760.876.500110.5I426 I442 F455 A460 T462 C472 L495 L497I426-M453 HydrophobicContact CD1-CE 4.35Å; I442-M453 HydrophobicContact CD1-CB 4.48Å; I442-M453 HydrophobicContact CD1-CE 3.28Å; I442-M453 HydrophobicContact CG1-CE 3.64Å; I442-M453 HydrophobicContact CG2-CE 4.4Å; M453-F455 HydrophobicContact CB-CE2 4.42Å; M453-F455 HydrophobicContact CG-CD2 4.01Å; M453-F455 HydrophobicContact CG-CE2 3.66Å; M453-F455 HydrophobicContact CG-CZ 4.37Å; M453-A460 HydrophobicContact CB-CB 4.48Å; M453-A460 PolarHBondContact O-N 3.04Å; M453-T462 PolarHBondContact N-OG1 3.1Å; M453-C472 HydrophobicContact CB-CB 4.05Å; M453-L495 HydrophobicContact SD-CB 4.08Å; M453-L495 HydrophobicContact SD-CD2 4.2Å; M453-L497 HydrophobicContact CE-CD2 3.85Å; M453-L497 HydrophobicContact SD-CD2 4.17Å
454L94.7Very high93.8Very high15 Ų1557.4 Ų57.48%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-108.2129.4170.2-68.2173.8000109.4R458 E459 L495 S496 I498 I504L454-R458 CarbonylContact C-O 3.6Å; L454-R458 VanDerWaalsContact CA-O 3.27Å; L454-R458 WeakPolarHBondContact CA-O 3.46Å; L454-E459 HydrophobicContact CD2-CB 4.01Å; L454-L495 WeakPolarHBondContact O-CA 3.49Å; L454-S496 WeakPolarHBondContact CB-O 3.22Å; L454-S496 PolarHBondContact N-O 2.82Å; L454-S496 PolarHBondContact O-N 2.83Å; L454-S496 VanDerWaalsContact O-N 3.07Å; L454-I498 HydrophobicContact CD1-CB 3.79Å; L454-I498 HydrophobicContact CD1-CD1 4.34Å; L454-I498 HydrophobicContact CD1-CG2 4.09Å; L454-I498 HydrophobicContact CD2-CG2 4.02Å; L454-I498 HydrophobicContact CG-CB 4.05Å; L454-I498 HydrophobicContact CG-CG2 3.8Å; L454-I504 HydrophobicContact CD1-CD1 4.45Å; L454-I504 HydrophobicContact CD1-CG1 4.42Å; L454-I504 HydrophobicContact CD1-CG2 4.26Å
455F93.3Very high93.8Very high0 Ų062.1 Ų62.10%031%0.309CS..EExtended strand (participates in β ladder)trans-103.6102.6167.9-72.3-104.7000107.5L440 M453 N457 R458 A460 I474 P475 Y480 L493 L495 F511L440-F455 HydrophobicContact CB-CZ 4.45Å; L440-F455 HydrophobicContact CD2-CE1 4.33Å; L440-F455 HydrophobicContact CD2-CZ 3.86Å; M453-F455 HydrophobicContact CB-CE2 4.42Å; M453-F455 HydrophobicContact CG-CD2 4.01Å; M453-F455 HydrophobicContact CG-CE2 3.66Å; M453-F455 HydrophobicContact CG-CZ 4.37Å; F455-N457 PolarHBondContact O-N 2.91Å; F455-R458 PolarHBondContact N-O 3.2Å; F455-R458 PolarHBondContact O-N 2.9Å; F455-A460 HydrophobicContact CD2-CB 3.67Å; F455-A460 HydrophobicContact CE2-CB 3.57Å; F455-I474 HydrophobicContact CE1-CG1 4.44Å; F455-I474 HydrophobicContact CE1-CG2 4.36Å; F455-I474 HydrophobicContact CZ-CG1 4.13Å; F455-P475 HydrophobicContact CB-CG 4.37Å; F455-P475 HydrophobicContact CD2-CG 3.95Å; F455-P475 HydrophobicContact CE2-CG 4.43Å; F455-P475 HydrophobicContact CG-CG 4.19Å; F455-Y480 WeakPolarHBondContact CB-OH 3.41Å; F455-Y480 WeakPolarHBondContact O-CE1 3.42Å; F455-Y480 PolarHBondContact O-OH 3.06Å; F455-L493 HydrophobicContact CB-CD1 4.13Å; F455-L495 HydrophobicContact CD1-CD2 3.55Å; F455-L495 HydrophobicContact CD2-CD2 4.39Å; F455-L495 HydrophobicContact CE1-CD2 3.71Å; F455-L495 HydrophobicContact CG-CD2 3.92Å; F455-L495 HydrophobicContact CZ-CD2 4.21Å; F455-F511 HydrophobicContact CD1-CB 4.05Å; F455-F511 HydrophobicContact CD1-CD1 4.22Å; F455-F511 HydrophobicContact CD1-CG 4.11Å; F455-F511 HydrophobicContact CE1-CB 4.01Å; F455-F511 HydrophobicContact CE1-CD1 4.08Å; F455-F511 HydrophobicContact CE1-CD2 4.04Å; F455-F511 AromaticContact CE1-CG 3.75Å; F455-F511 HydrophobicContact CE1-CG 3.75Å
456G88.9Confident94Very high25 Ų2560 Ų6026%0.25830%0.304SS..THydrogen-bonded Turntrans62.3-108.2-16800000111.1P494G456-P494 PolarHBondContact N-O 2.8Å
457N84.9Confident94.1Very high127 Ų12760.7 Ų60.768%0.67931%0.312SS*.THydrogen-bonded Turntrans-110.89178.566.3-14.6000113.6F455F455-N457 PolarHBondContact O-N 2.91Å
458R89.3Confident94.1Very high116 Ų11666.9 Ų66.944%0.43834%0.339SS..EExtended strand (participates in β ladder)trans-109.6131.9-177.4-63.2-63.1-177.8-175.7-2.8111.3L454 F455 V479 Y480L454-R458 CarbonylContact C-O 3.6Å; L454-R458 VanDerWaalsContact CA-O 3.27Å; L454-R458 WeakPolarHBondContact CA-O 3.46Å; F455-R458 PolarHBondContact N-O 3.2Å; F455-R458 PolarHBondContact O-N 2.9Å; R458-V479 HydrophobicContact CG-CG1 3.97Å; R458-Y480 HydrophobicContact CB-CE1 3.93Å; R458-Y480 HydrophobicContact CG-CD1 4.26Å; R458-Y480 HydrophobicContact CG-CE1 3.5Å; R458-Y480 VanDerWaalsContact CG-CE1 3.5Å
459E93.1Very high94.2Very high106 Ų10666 Ų6650%0.49533%0.332SS..EExtended strand (participates in β ladder)trans-77.1127.9174.1-170179.8126.500110.5K452 L454K452-E459 HydrophobicContact CB-CG 4.09Å; K452-E459 HydrophobicContact CD-CG 3.85Å; K452-E459 WeakPolarHBondContact CD-OE1 3.32Å; K452-E459 VanDerWaalsContact CE-OE1 3.32Å; K452-E459 WeakPolarHBondContact CE-OE1 3.43Å; K452-E459 IonicContact NZ-OE1 2.72Å; K452-E459 PolarHBondContact NZ-OE1 2.79Å; L454-E459 HydrophobicContact CD2-CB 4.01Å
460A93.1Very high94.3Very high4 Ų461.8 Ų61.83%0.03331%0.305CS..  trans-95.1146.7173.200000110.7M453 F455 T462 C472 V473 P475M453-A460 HydrophobicContact CB-CB 4.48Å; M453-A460 PolarHBondContact O-N 3.04Å; F455-A460 HydrophobicContact CD2-CB 3.67Å; F455-A460 HydrophobicContact CE2-CB 3.57Å; A460-T462 PolarHBondContact O-N 3.1Å; A460-T462 PolarHBondContact O-OG1 2.92Å; A460-C472 HydrophobicContact CB-CB 4.25Å; A460-V473 WeakPolarHBondContact CB-O 3.14Å; A460-P475 HydrophobicContact CB-CG 4.14Å
461E93.3Very high94.3Very high144 Ų14457.9 Ų57.967%0.67329%0.288SS*.  trans-62114.1169.9-173.5172.4-17000109C472 V473E461-C472 CarbonylContact O-C 3.55Å; E461-C472 WeakPolarHBondContact O-CA 3.37Å; E461-C472 WeakPolarHBondContact O-CB 3.25Å; E461-V473 HydrophobicContact CB-CB 4.31Å; E461-V473 HydrophobicContact CB-CG2 4.02Å; E461-V473 HydrophobicContact CG-CG2 4.44Å; E461-V473 PolarHBondContact O-N 3.43Å
462T96.1Very high94.3Very high26 Ų2657.6 Ų57.616%0.1629%0.286CS..EExtended strand (participates in β ladder)trans-121.1124.9-171.5-54.50000109.7M453 A460 L470 C472M453-T462 PolarHBondContact N-OG1 3.1Å; A460-T462 PolarHBondContact O-N 3.1Å; A460-T462 PolarHBondContact O-OG1 2.92Å; T462-L470 HydrophobicContact CG2-CB 4.29Å; T462-L470 HydrophobicContact CG2-CD1 4.47Å; T462-L470 HydrophobicContact CG2-CD2 4.48Å; T462-C472 HydrophobicContact CG2-CB 4.2Å
463M95.7Very high94.2Very high81 Ų8155.5 Ų55.540%0.39928%0.28SS..EExtended strand (participates in β ladder)trans-103128.6177-64.7172.6-81.900109.8M439 L471M439-M463 HydrophobicContact CE-CE 3.2Å; M463-L471 HydrophobicContact CB-CB 4.48Å; M463-L471 HydrophobicContact CE-CB 4.39Å; M463-L471 HydrophobicContact CE-CD2 3.65Å; M463-L471 HydrophobicContact CE-CG 3.93Å; M463-L471 PolarHBondContact N-O 2.7Å; M463-L471 PolarHBondContact O-N 2.76Å
464F96.9Very high93.9Very high78 Ų7856.2 Ų56.234%0.34228%0.284SS..EExtended strand (participates in β ladder)trans-83.8117.7173.5173.5-95.8000110.3F447 S448 P449 S466 P467 L470F447-F464 HydrophobicContact CB-CE2 4.29Å; S448-F464 VanDerWaalsContact C-CD2 3.41Å; P449-F464 HydrophobicContact CB-CB 4.33Å; P449-F464 HydrophobicContact CB-CD1 4.47Å; P449-F464 HydrophobicContact CB-CG 4.3Å; P449-F464 HydrophobicContact CG-CB 4.47Å; P449-F464 HydrophobicContact CG-CD1 3.77Å; P449-F464 HydrophobicContact CG-CD2 4.33Å; P449-F464 HydrophobicContact CG-CE1 3.99Å; P449-F464 HydrophobicContact CG-CG 3.93Å; P449-F464 HydrophobicContact CG-CZ 4.36Å; F464-S466 WeakPolarHBondContact CE2-O 3.4Å; F464-P467 HydrophobicContact CZ-CG 4.16Å; F464-L470 HydrophobicContact CB-CD2 4.1Å; F464-L470 HydrophobicContact CD2-CD2 3.72Å; F464-L470 HydrophobicContact CG-CD2 4.38Å
465K95.4Very high93.7Very high106 Ų10656.5 Ų56.546%0.46129%0.287SS..EExtended strand (participates in β ladder)trans-91.8-50.8172.8-69.8-177.1176.1176.50111.1E441 S469 L471E441-K465 IonicContact OE1-NZ 2.62Å; E441-K465 PolarHBondContact OE1-NZ 3.22Å; E441-K465 IonicContact OE2-NZ 2.7Å; E441-K465 PolarHBondContact OE2-NZ 3.48Å; E441-K465 VanDerWaalsContact OE2-NZ 3.14Å; K465-S469 WeakPolarHBondContact CB-O 3.38Å; K465-S469 WeakPolarHBondContact CD-OG 3.47Å; K465-S469 PolarHBondContact N-O 3.31Å; K465-S469 VanDerWaalsContact N-O 3.15Å; K465-L471 HydrophobicContact CD-CB 4.39Å
466S96.8Very high93.3Very high42 Ų4260.9 Ų60.929%0.29431%0.31SS..EExtended strand (participates in β ladder)trans-159.6171.6-18072.90000110.9F464 K468 S469F464-S466 WeakPolarHBondContact CE2-O 3.4Å; S466-K468 PolarHBondContact O-N 2.92Å; S466-K468 PolarHBondContact OG-N 2.92Å; S466-S469 PolarHBondContact N-O 2.8Å; S466-S469 PolarHBondContact O-N 2.71Å; S466-S469 PolarHBondContact OG-N 3.06Å
467P96Very high93Very high78 Ų7860.6 Ų60.651%0.50630%0.303SS..THydrogen-bonded Turntrans-58.7-7.4172.5-25.235.7000115.2E445 N446 F447 F464E445-P467 CarbonylContact C-O 3.58Å; N446-P467 PolarHBondContact N-O 2.72Å; N446-P467 VanDerWaalsContact N-O 3.14Å; F447-P467 PolarHBondContact N-O 2.85Å; F447-P467 WeakPolarHBondContact O-CA 3.29Å; F464-P467 HydrophobicContact CZ-CG 4.16Å
468K96.7Very high92.7Very high140 Ų14056.4 Ų56.461%0.60928%0.284SS*.THydrogen-bonded Turntrans-115.8-5.5178.1-61.1-174178.2-175.50114.7G444 S466G444-K468 PolarHBondContact N-O 3.05Å; G444-K468 WeakPolarHBondContact O-CA 3.2Å; G444-K468 WeakPolarHBondContact O-CB 3.26Å; S466-K468 PolarHBondContact O-N 2.92Å; S466-K468 PolarHBondContact OG-N 2.92Å
469S96.5Very high92.3Very high12 Ų1254.2 Ų54.28%0.08428%0.283CS..EExtended strand (participates in β ladder)trans-145.7130-178.1173.70000112.6E441 I442 K465 S466E441-S469 PolarHBondContact OE1-OG 2.96Å; I442-S469 VanDerWaalsContact O-CA 3.3Å; I442-S469 WeakPolarHBondContact O-CA 3.49Å; K465-S469 WeakPolarHBondContact CB-O 3.38Å; K465-S469 WeakPolarHBondContact CD-OG 3.47Å; K465-S469 PolarHBondContact N-O 3.31Å; K465-S469 VanDerWaalsContact N-O 3.15Å; S466-S469 PolarHBondContact N-O 2.8Å; S466-S469 PolarHBondContact O-N 2.71Å; S466-S469 PolarHBondContact OG-N 3.06Å
470L96.6Very high91.5Very high0 Ų051.5 Ų51.50%027%0.269CS..EExtended strand (participates in β ladder)trans-118152.1167.2-63.2174000108.8I442 F447 L451 T462 F464 L497I442-L470 HydrophobicContact CB-CB 4.19Å; I442-L470 HydrophobicContact CD1-CB 3.87Å; I442-L470 PolarHBondContact N-O 2.83Å; I442-L470 PolarHBondContact O-N 2.89Å; F447-L470 HydrophobicContact CB-CD1 4.14Å; F447-L470 HydrophobicContact CB-CD2 4.02Å; F447-L470 HydrophobicContact CB-CG 3.89Å; F447-L470 HydrophobicContact CD1-CD1 3.8Å; F447-L470 HydrophobicContact CD1-CG 4.25Å; F447-L470 HydrophobicContact CD2-CD1 4.17Å; F447-L470 HydrophobicContact CD2-CG 3.73Å; F447-L470 HydrophobicContact CE1-CD1 4.24Å; F447-L470 HydrophobicContact CE2-CG 4.3Å; F447-L470 HydrophobicContact CG-CD1 3.78Å; F447-L470 HydrophobicContact CG-CD2 4.39Å; F447-L470 HydrophobicContact CG-CG 3.7Å; L451-L470 HydrophobicContact CB-CD1 4.36Å; T462-L470 HydrophobicContact CG2-CB 4.29Å; T462-L470 HydrophobicContact CG2-CD1 4.47Å; T462-L470 HydrophobicContact CG2-CD2 4.48Å; F464-L470 HydrophobicContact CB-CD2 4.1Å; F464-L470 HydrophobicContact CD2-CD2 3.72Å; F464-L470 HydrophobicContact CG-CD2 4.38Å; L470-L497 HydrophobicContact CD1-CD2 4.1Å
471L95.5Very high90.3Very high26 Ų2653 Ų5314%0.13628%0.279CS..EExtended strand (participates in β ladder)trans-129.6123.8174.6-178.169.9000108.2M439 E441 M463 K465M439-L471 HydrophobicContact CB-CD1 3.96Å; M439-L471 HydrophobicContact CE-CD1 4.22Å; M439-L471 HydrophobicContact CE-CD2 3.88Å; M439-L471 HydrophobicContact CE-CG 3.64Å; E441-L471 HydrophobicContact CB-CD1 3.92Å; M463-L471 HydrophobicContact CB-CB 4.48Å; M463-L471 HydrophobicContact CE-CB 4.39Å; M463-L471 HydrophobicContact CE-CD2 3.65Å; M463-L471 HydrophobicContact CE-CG 3.93Å; M463-L471 PolarHBondContact N-O 2.7Å; M463-L471 PolarHBondContact O-N 2.76Å; K465-L471 HydrophobicContact CD-CB 4.39Å
472C94.7Very high88.7Confident0 Ų053.4 Ų53.40%029%0.286CS..EExtended strand (participates in β ladder)trans-124149.1176.765.20000112.9M439 L440 M453 A460 E461 T462M439-C472 CarbonylContact C-O 3.56Å; M439-C472 WeakPolarHBondContact CA-O 3.42Å; L440-C472 PolarHBondContact N-O 2.91Å; L440-C472 PolarHBondContact O-N 3.33Å; M453-C472 HydrophobicContact CB-CB 4.05Å; A460-C472 HydrophobicContact CB-CB 4.25Å; E461-C472 CarbonylContact O-C 3.55Å; E461-C472 WeakPolarHBondContact O-CA 3.37Å; E461-C472 WeakPolarHBondContact O-CB 3.25Å; T462-C472 HydrophobicContact CG2-CB 4.2Å
473V93.7Very high86.7Confident39 Ų3954.8 Ų54.824%0.23630%0.297CS..EExtended strand (participates in β ladder)trans-74127172.5-175.40000108.1V437 M439 A460 E461 P475V437-V473 HydrophobicContact CG1-CG1 4.33Å; M439-V473 HydrophobicContact CE-CB 4.4Å; M439-V473 HydrophobicContact CE-CG2 3.73Å; M439-V473 HydrophobicContact SD-CB 4.04Å; M439-V473 HydrophobicContact SD-CG1 4.28Å; M439-V473 HydrophobicContact SD-CG2 3.65Å; A460-V473 WeakPolarHBondContact CB-O 3.14Å; E461-V473 HydrophobicContact CB-CB 4.31Å; E461-V473 HydrophobicContact CB-CG2 4.02Å; E461-V473 HydrophobicContact CG-CG2 4.44Å; E461-V473 PolarHBondContact O-N 3.43Å; V473-P475 WeakPolarHBondContact O-CD 3.37Å
474I91.8Very high84.7Confident15 Ų1552.9 Ų52.98%0.07729%0.285CS..PPolyproline II helixtrans-73121175.5-63.9168.4000107.6V431 A438 L440 F455 F511 Y513V431-I474 HydrophobicContact CG1-CD1 3.76Å; A438-I474 HydrophobicContact CB-CB 4.18Å; A438-I474 HydrophobicContact CB-CD1 3.86Å; A438-I474 HydrophobicContact CB-CG1 4.47Å; A438-I474 WeakPolarHBondContact O-CB 3.31Å; A438-I474 PolarHBondContact O-N 3.5Å; L440-I474 HydrophobicContact CB-CD1 4.13Å; L440-I474 HydrophobicContact CB-CG1 3.9Å; F455-I474 HydrophobicContact CE1-CG1 4.44Å; F455-I474 HydrophobicContact CE1-CG2 4.36Å; F455-I474 HydrophobicContact CZ-CG1 4.13Å; I474-F511 HydrophobicContact CD1-CE2 3.82Å; I474-F511 HydrophobicContact CD1-CZ 3.85Å; I474-F511 HydrophobicContact CG1-CE2 4.43Å; I474-F511 HydrophobicContact CG1-CZ 4.42Å; I474-F511 HydrophobicContact CG2-CE1 3.91Å; I474-F511 HydrophobicContact CG2-CZ 3.79Å; I474-Y513 HydrophobicContact CG2-CE1 4.07Å
475P89.7Confident82.7Confident22 Ų2258.8 Ų58.814%0.14331%0.305CS..PPolyproline II helixtrans-62.3145.9179.5-23.134.8000111.7F455 A460 V473 Y480 Y513F455-P475 HydrophobicContact CB-CG 4.37Å; F455-P475 HydrophobicContact CD2-CG 3.95Å; F455-P475 HydrophobicContact CE2-CG 4.43Å; F455-P475 HydrophobicContact CG-CG 4.19Å; A460-P475 HydrophobicContact CB-CG 4.14Å; V473-P475 WeakPolarHBondContact O-CD 3.37Å; P475-Y480 HydrophobicContact CB-CE2 4.16Å; P475-Y513 PolarHBondContact O-OH 3.14Å
476D85.1Confident80.6Confident91 Ų9158.7 Ų58.749%0.48732%0.316SS..PPolyproline II helixtrans-62.1141.9173-174-90000110.6S478 V479D476-S478 PolarHBondContact O-N 3.42Å; D476-S478 WeakPolarHBondContact OD1-CB 3.22Å; D476-S478 PolarHBondContact OD1-N 2.85Å; D476-S478 PolarHBondContact OD1-OG 2.83Å; D476-V479 VanDerWaalsContact O-CB 3.32Å; D476-V479 WeakPolarHBondContact O-CB 3.3Å; D476-V479 VanDerWaalsContact O-CG2 3.29Å; D476-V479 WeakPolarHBondContact O-CG2 3.38Å; D476-V479 PolarHBondContact O-N 2.91Å; D476-V479 VanDerWaalsContact O-N 3.1Å
477V81.9Confident78.5Confident19 Ų1962.8 Ų62.812%0.11533%0.329CS..G310 helixtrans-61.4-26.6-177.268.10000113.3V479 Y480 S481 W484 I491 Y513V477-V479 PolarHBondContact O-N 2.87Å; V477-Y480 PolarHBondContact O-N 2.83Å; V477-S481 PolarHBondContact O-N 3.06Å; V477-W484 HydrophobicContact CB-CD2 4.32Å; V477-W484 HydrophobicContact CB-CE3 3.87Å; V477-W484 HydrophobicContact CB-CZ3 4.09Å; V477-W484 HydrophobicContact CG1-CD2 4.05Å; V477-W484 HydrophobicContact CG1-CE3 3.26Å; V477-W484 HydrophobicContact CG1-CZ3 3.65Å; V477-W484 HydrophobicContact CG2-CB 4.34Å; V477-W484 HydrophobicContact CG2-CD2 3.39Å; V477-W484 HydrophobicContact CG2-CE3 3.42Å; V477-W484 VanDerWaalsContact CG2-CE3 3.42Å; V477-W484 HydrophobicContact CG2-CG 3.84Å; V477-W484 HydrophobicContact CG2-CH2 4.14Å; V477-W484 HydrophobicContact CG2-CZ2 4.14Å; V477-W484 HydrophobicContact CG2-CZ3 3.8Å; V477-I491 HydrophobicContact CG2-CD1 3.95Å; V477-Y513 HydrophobicContact CB-CD1 3.99Å; V477-Y513 HydrophobicContact CB-CE1 4.23Å; V477-Y513 HydrophobicContact CB-CG 4.42Å; V477-Y513 HydrophobicContact CG2-CD1 4.13Å; V477-Y513 HydrophobicContact CG2-CD2 4.48Å; V477-Y513 HydrophobicContact CG2-CG 4.05Å
478S78.6Confident77Confident39 Ų3966.5 Ų66.527%0.27333%0.333SS..G310 helixtrans-59.6-27176.361.20000112.9D476 Y480 S481D476-S478 PolarHBondContact O-N 3.42Å; D476-S478 WeakPolarHBondContact OD1-CB 3.22Å; D476-S478 PolarHBondContact OD1-N 2.85Å; D476-S478 PolarHBondContact OD1-OG 2.83Å; S478-Y480 PolarHBondContact O-N 3.5Å; S478-Y480 VanDerWaalsContact O-N 3.1Å; S478-S481 CarbonylContact O-C 3.47Å; S478-S481 PolarHBondContact O-N 3.02Å
479V80.9Confident75.8Confident70 Ų7068.2 Ų68.242%0.42434%0.336SS..G310 helixtrans-60.4-23.8177-178.70000112R458 D476 V477R458-V479 HydrophobicContact CG-CG1 3.97Å; D476-V479 VanDerWaalsContact O-CB 3.32Å; D476-V479 WeakPolarHBondContact O-CB 3.3Å; D476-V479 VanDerWaalsContact O-CG2 3.29Å; D476-V479 WeakPolarHBondContact O-CG2 3.38Å; D476-V479 PolarHBondContact O-N 2.91Å; D476-V479 VanDerWaalsContact O-N 3.1Å; V477-V479 PolarHBondContact O-N 2.87Å
480Y76.4Confident75.1Confident50 Ų5073.2 Ų73.220%0.19636%0.36CS..THydrogen-bonded Turntrans-102.4-24.3-179.6-53.7-77.3000113.2F455 R458 P475 V477 S478 L493 Y513F455-Y480 WeakPolarHBondContact CB-OH 3.41Å; F455-Y480 WeakPolarHBondContact O-CE1 3.42Å; F455-Y480 PolarHBondContact O-OH 3.06Å; R458-Y480 HydrophobicContact CB-CE1 3.93Å; R458-Y480 HydrophobicContact CG-CD1 4.26Å; R458-Y480 HydrophobicContact CG-CE1 3.5Å; R458-Y480 VanDerWaalsContact CG-CE1 3.5Å; P475-Y480 HydrophobicContact CB-CE2 4.16Å; V477-Y480 PolarHBondContact O-N 2.83Å; S478-Y480 PolarHBondContact O-N 3.5Å; S478-Y480 VanDerWaalsContact O-N 3.1Å; Y480-L493 HydrophobicContact CD1-CD1 3.86Å; Y480-L493 HydrophobicContact CD1-CD2 4.37Å; Y480-L493 HydrophobicContact CD2-CD1 3.94Å; Y480-L493 HydrophobicContact CE1-CD1 3.51Å; Y480-L493 HydrophobicContact CE2-CD1 3.61Å; Y480-L493 HydrophobicContact CG-CD1 4.06Å; Y480-Y513 HydrophobicContact CE2-CE2 4.35Å
481S68.7Low74.5Confident34 Ų3474.7 Ų74.724%0.23837%0.368CS..  trans-160.6115.5177.4-170.30000111.9V477 S478 S483 W484V477-S481 PolarHBondContact O-N 3.06Å; S478-S481 CarbonylContact O-C 3.47Å; S478-S481 PolarHBondContact O-N 3.02Å; S481-S483 PolarHBondContact O-N 2.96Å; S481-S483 VanDerWaalsContact O-N 3.12Å; S481-S483 PolarHBondContact OG-N 3.4Å; S481-S483 PolarHBondContact OG-OG 3.1Å; S481-W484 PolarHBondContact O-N 2.88Å; S481-W484 VanDerWaalsContact O-N 3.17Å
482D59.1Low74.1Confident153 Ų15377 Ų7782%0.81838%0.383SS*.THydrogen-bonded Turntrans-58.5-25.1170.3-61.9-39.8000112.1
483S53.3Low73.9Confident56 Ų5678 Ų7839%0.39239%0.388SS..THydrogen-bonded Turntrans-87-5.2-176.6740000114.4S481 R485 C486 F487S481-S483 PolarHBondContact O-N 2.96Å; S481-S483 VanDerWaalsContact O-N 3.12Å; S481-S483 PolarHBondContact OG-N 3.4Å; S481-S483 PolarHBondContact OG-OG 3.1Å; S483-R485 VanDerWaalsContact C-N 3.31Å; S483-R485 PolarHBondContact O-N 3.2Å; S483-C486 WeakPolarHBondContact O-CB 3.17Å; S483-C486 PolarHBondContact O-N 3.43Å; S483-F487 WeakPolarHBondContact O-CD2 3.32Å; S483-F487 PolarHBondContact O-N 2.95Å
484W53.7Low73.9Confident40 Ų4079.8 Ų79.815%0.15240%0.401CS..Hα-helixtrans-65.8-34.8-174.9-151.565.7000113.5V477 S481 C486 F487 R488 R489 I491 P515V477-W484 HydrophobicContact CB-CD2 4.32Å; V477-W484 HydrophobicContact CB-CE3 3.87Å; V477-W484 HydrophobicContact CB-CZ3 4.09Å; V477-W484 HydrophobicContact CG1-CD2 4.05Å; V477-W484 HydrophobicContact CG1-CE3 3.26Å; V477-W484 HydrophobicContact CG1-CZ3 3.65Å; V477-W484 HydrophobicContact CG2-CB 4.34Å; V477-W484 HydrophobicContact CG2-CD2 3.39Å; V477-W484 HydrophobicContact CG2-CE3 3.42Å; V477-W484 VanDerWaalsContact CG2-CE3 3.42Å; V477-W484 HydrophobicContact CG2-CG 3.84Å; V477-W484 HydrophobicContact CG2-CH2 4.14Å; V477-W484 HydrophobicContact CG2-CZ2 4.14Å; V477-W484 HydrophobicContact CG2-CZ3 3.8Å; S481-W484 PolarHBondContact O-N 2.88Å; S481-W484 VanDerWaalsContact O-N 3.17Å; W484-C486 PolarHBondContact O-N 3.35Å; W484-C486 VanDerWaalsContact O-N 3.08Å; W484-F487 PolarHBondContact O-N 3.18Å; W484-R488 PolarHBondContact O-N 2.93Å; W484-R488 VanDerWaalsContact O-N 3.14Å; W484-R489 WeakPolarHBondContact CZ2-O 3.41Å; W484-R489 PolarHBondContact NE1-O 2.68Å; W484-I491 HydrophobicContact CD2-CD1 4.33Å; W484-I491 HydrophobicContact CG-CD1 3.91Å; W484-P515 HydrophobicContact CH2-CG 4.22Å; W484-P515 HydrophobicContact CZ2-CG 3.93Å
485R55.3Low74Confident202 Ų20279 Ų7976%0.76240%0.397SS*.Hα-helixtrans-55.4-26.4172.8-67.7-173.5176-172.6-0.5112.2S483S483-R485 VanDerWaalsContact C-N 3.31Å; S483-R485 PolarHBondContact O-N 3.2Å
486C51.2Low74.3Confident104 Ų10478.5 Ų78.570%0.70339%0.394SS*.Hα-helixtrans-99.2-32.1-178.6-57.10000113.6S483 W484S483-C486 WeakPolarHBondContact O-CB 3.17Å; S483-C486 PolarHBondContact O-N 3.43Å; W484-C486 PolarHBondContact O-N 3.35Å; W484-C486 VanDerWaalsContact O-N 3.08Å
487F52.1Low74.8Confident128 Ų12874.2 Ų74.256%0.56137%0.371SS*.Hα-helixtrans-106.4-6.3-169.4-73.3-77.3000116S483 W484 R489S483-F487 WeakPolarHBondContact O-CD2 3.32Å; S483-F487 PolarHBondContact O-N 2.95Å; W484-F487 PolarHBondContact O-N 3.18Å; F487-R489 VanDerWaalsContact C-N 3.29Å; F487-R489 HydrophobicContact CB-CG 4.4Å; F487-R489 VanDerWaalsContact O-CG 3.25Å; F487-R489 WeakPolarHBondContact O-CG 3.18Å; F487-R489 PolarHBondContact O-N 3.17Å
488R66.4Low75.4Confident156 Ų15674.8 Ų74.859%0.58937%0.373SS*.  trans35.455.4173.1-65.7-168-176.5-1583.7113.3W484 P515 E516W484-R488 PolarHBondContact O-N 2.93Å; W484-R488 VanDerWaalsContact O-N 3.14Å; R488-P515 HydrophobicContact CB-CB 3.81Å; R488-P515 HydrophobicContact CB-CG 4.08Å; R488-P515 HydrophobicContact CG-CB 4.31Å; R488-P515 VanDerWaalsContact O-CG 3.26Å; R488-P515 WeakPolarHBondContact O-CG 3.2Å; R488-E516 PolarHBondContact NH1-O 3.22Å
489R70.3Confident76.1Confident177 Ų17774.5 Ų74.567%0.66837%0.366SS*.  trans-102.9152.7178.8-65.2-169.4178.8171.6-1110.7W484 F487 I491W484-R489 WeakPolarHBondContact CZ2-O 3.41Å; W484-R489 PolarHBondContact NE1-O 2.68Å; F487-R489 VanDerWaalsContact C-N 3.29Å; F487-R489 HydrophobicContact CB-CG 4.4Å; F487-R489 VanDerWaalsContact O-CG 3.25Å; F487-R489 WeakPolarHBondContact O-CG 3.18Å; F487-R489 PolarHBondContact O-N 3.17Å; R489-I491 PolarHBondContact O-N 2.81Å
490I82Confident76.6Confident116 Ų11676.2 Ų76.260%0.59538%0.376SS*.  trans-67.6129.9171.5-61.5173.5000109T512 Y513I490-T512 HydrophobicContact CG2-CG2 3.3Å; I490-Y513 WeakPolarHBondContact CA-O 3.45Å
491I83.4Confident77.2Confident32 Ų3276.3 Ų76.316%0.16438%0.38CS..EExtended strand (participates in β ladder)trans-115.1121.9172.4-66.8174.8000108.3V477 W484 R489 L493 T512 Y513V477-I491 HydrophobicContact CG2-CD1 3.95Å; W484-I491 HydrophobicContact CD2-CD1 4.33Å; W484-I491 HydrophobicContact CG-CD1 3.91Å; R489-I491 PolarHBondContact O-N 2.81Å; I491-L493 HydrophobicContact CG2-CD2 3.73Å; I491-L493 HydrophobicContact CG2-CG 3.97Å; I491-T512 CarbonylContact O-C 3.58Å; I491-T512 VanDerWaalsContact O-CA 3.3Å; I491-T512 WeakPolarHBondContact O-CA 3.3Å; I491-Y513 HydrophobicContact CB-CD2 4.3Å; I491-Y513 HydrophobicContact CG2-CD2 4.26Å; I491-Y513 PolarHBondContact N-O 3.15Å; I491-Y513 VanDerWaalsContact N-O 3.13Å; I491-Y513 PolarHBondContact O-N 3.09Å
492T88.5Confident78.1Confident74 Ų7476.1 Ų76.145%0.45438%0.384SS..EExtended strand (participates in β ladder)trans-112.3124173.9-58.60000109.6F511 T512T492-F511 CarbonylContact C-O 3.53Å; T492-F511 WeakPolarHBondContact CA-O 3.43Å; T492-T512 WeakPolarHBondContact CG2-OG1 3.45Å; T492-T512 WeakPolarHBondContact OG1-CG2 3.28Å; T492-T512 PolarHBondContact OG1-OG1 2.81Å
493L90.6Very high79.7Confident21 Ų2168.9 Ų68.911%0.1135%0.345CS..EExtended strand (participates in β ladder)trans-114137.1-180-57.5-178.2000110.2F455 Y480 I491 S510 F511 Y513F455-L493 HydrophobicContact CB-CD1 4.13Å; Y480-L493 HydrophobicContact CD1-CD1 3.86Å; Y480-L493 HydrophobicContact CD1-CD2 4.37Å; Y480-L493 HydrophobicContact CD2-CD1 3.94Å; Y480-L493 HydrophobicContact CE1-CD1 3.51Å; Y480-L493 HydrophobicContact CE2-CD1 3.61Å; Y480-L493 HydrophobicContact CG-CD1 4.06Å; I491-L493 HydrophobicContact CG2-CD2 3.73Å; I491-L493 HydrophobicContact CG2-CG 3.97Å; L493-S510 CarbonylContact O-C 3.51Å; L493-S510 WeakPolarHBondContact O-CA 3.49Å; L493-S510 WeakPolarHBondContact O-CB 3.29Å; L493-F511 PolarHBondContact N-O 2.64Å; L493-F511 PolarHBondContact O-N 3.27Å; L493-Y513 HydrophobicContact CD1-CE2 3.75Å; L493-Y513 HydrophobicContact CG-CE2 4.31Å
494P92.8Very high81.6Confident76 Ų7668 Ų6849%0.49434%0.336SS..EExtended strand (participates in β ladder)trans-69.2143.517130-33.5000110.2G456G456-P494 PolarHBondContact N-O 2.8Å
495L94.8Very high83.6Confident0 Ų066.3 Ų66.30%033%0.33CS..EExtended strand (participates in β ladder)trans-96138.7172.9-64.9179000110.3L429 L440 M453 L454 F455 T507 Y509 F511L429-L495 HydrophobicContact CD1-CD1 3.64Å; L440-L495 HydrophobicContact CD2-CD1 4.05Å; M453-L495 HydrophobicContact SD-CB 4.08Å; M453-L495 HydrophobicContact SD-CD2 4.2Å; L454-L495 WeakPolarHBondContact O-CA 3.49Å; F455-L495 HydrophobicContact CD1-CD2 3.55Å; F455-L495 HydrophobicContact CD2-CD2 4.39Å; F455-L495 HydrophobicContact CE1-CD2 3.71Å; F455-L495 HydrophobicContact CG-CD2 3.92Å; F455-L495 HydrophobicContact CZ-CD2 4.21Å; L495-T507 PolarHBondContact O-OG1 2.92Å; L495-Y509 PolarHBondContact N-O 2.74Å; L495-F511 HydrophobicContact CD1-CB 4.22Å; L495-F511 HydrophobicContact CD2-CB 3.87Å; L495-F511 HydrophobicContact CG-CB 4.11Å
496S95.8Very high85.4Confident11 Ų1160.6 Ų60.68%0.07731%0.308CS..EExtended strand (participates in β ladder)trans-144.6155.9176.5-67.70000110.6L454 Y505 R506L454-S496 WeakPolarHBondContact CB-O 3.22Å; L454-S496 PolarHBondContact N-O 2.82Å; L454-S496 PolarHBondContact O-N 2.83Å; L454-S496 VanDerWaalsContact O-N 3.07Å; S496-Y505 WeakPolarHBondContact CA-O 3.42Å; S496-Y505 WeakPolarHBondContact CB-O 3.23Å; S496-R506 WeakPolarHBondContact OG-CD 3.4Å
497L95.6Very high87.4Confident1 Ų157.3 Ų57.31%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-106.7134173.4-69.1168.6000109.2P424 I426 F447 K452 M453 L470 I504 Y505P424-L497 HydrophobicContact CB-CD1 3.67Å; P424-L497 HydrophobicContact CG-CD1 3.81Å; I426-L497 HydrophobicContact CD1-CD1 4.2Å; I426-L497 HydrophobicContact CG1-CD1 4.37Å; F447-L497 HydrophobicContact CD1-CD1 4.47Å; F447-L497 HydrophobicContact CE1-CD1 3.99Å; K452-L497 CarbonylContact O-C 3.52Å; K452-L497 WeakPolarHBondContact O-CA 3.44Å; M453-L497 HydrophobicContact CE-CD2 3.85Å; M453-L497 HydrophobicContact SD-CD2 4.17Å; L470-L497 HydrophobicContact CD1-CD2 4.1Å; L497-I504 CarbonylContact O-C 3.48Å; L497-I504 WeakPolarHBondContact O-CA 3.49Å; L497-Y505 HydrophobicContact CB-CD2 4.21Å; L497-Y505 PolarHBondContact N-O 3.23Å; L497-Y505 PolarHBondContact O-N 3.41Å
498I94.4Very high89.2Confident30 Ų3054.6 Ų54.615%0.15428%0.282CS..EExtended strand (participates in β ladder)trans-114.2133.7174.9-171.2166.8000110.2L451 K452 L454 L503 I504L451-I498 CarbonylContact C-O 3.44Å; L451-I498 WeakPolarHBondContact CA-O 3.39Å; K452-I498 HydrophobicContact CB-CG2 3.97Å; K452-I498 PolarHBondContact N-O 3.42Å; K452-I498 PolarHBondContact O-N 2.96Å; L454-I498 HydrophobicContact CD1-CB 3.79Å; L454-I498 HydrophobicContact CD1-CD1 4.34Å; L454-I498 HydrophobicContact CD1-CG2 4.09Å; L454-I498 HydrophobicContact CD2-CG2 4.02Å; L454-I498 HydrophobicContact CG-CB 4.05Å; L454-I498 HydrophobicContact CG-CG2 3.8Å; I498-L503 CarbonylContact C-O 3.56Å; I498-L503 WeakPolarHBondContact CA-O 3.46Å; I498-I504 HydrophobicContact CB-CG1 4.44Å; I498-I504 HydrophobicContact CD1-CG1 4.08Å; I498-I504 HydrophobicContact CG1-CG1 4.08Å
499R93.4Very high90.4Very high34 Ų3448.9 Ų48.913%0.12826%0.261CS..EExtended strand (participates in β ladder)trans-89.3154.2171.7-169.2169.267-1790.8110T418 P419 H450 L451 D501 G502 L503 Y505T418-R499 PolarHBondContact OG1-NH2 3.39Å; P419-R499 PolarHBondContact O-NH1 2.86Å; P419-R499 PolarHBondContact O-NH2 2.83Å; P419-R499 VanDerWaalsContact O-NH2 3.11Å; H450-R499 HydrophobicContact CB-CG 4.32Å; H450-R499 CarbonylContact O-C 3.56Å; H450-R499 VanDerWaalsContact O-CA 3.29Å; H450-R499 WeakPolarHBondContact O-CA 3.37Å; L451-R499 HydrophobicContact CD2-CB 3.94Å; L451-R499 HydrophobicContact CD2-CG 4.31Å; R499-D501 VanDerWaalsContact CB-OD1 3.31Å; R499-D501 WeakPolarHBondContact CB-OD1 3.49Å; R499-D501 WeakPolarHBondContact CG-OD1 3.25Å; R499-D501 IonicContact CZ-OD1 2.68Å; R499-D501 IonicContact CZ-OD2 3.05Å; R499-D501 VanDerWaalsContact NE-CG 3.28Å; R499-D501 IonicContact NE-OD1 2.64Å; R499-D501 PolarHBondContact NE-OD1 3.42Å; R499-D501 IonicContact NE-OD2 3.06Å; R499-D501 PolarHBondContact NE-OD2 2.98Å; R499-D501 IonicContact NH2-OD1 3.18Å; R499-D501 IonicContact NH2-OD2 3.04Å; R499-D501 PolarHBondContact NH2-OD2 3.13Å; R499-D501 PolarHBondContact O-N 3.16Å; R499-G502 PolarHBondContact O-N 3.47Å; R499-L503 HydrophobicContact CB-CB 4.24Å; R499-L503 PolarHBondContact N-O 3.43Å; R499-Y505 HydrophobicContact CB-CE2 4.28Å
500T90.2Very high91.5Very high105 Ų10540.8 Ų40.864%0.64423%0.231SC*.THydrogen-bonded Turntrans-55.4-21.7-178.550.20000115.4H450 G502H450-T500 HydrophobicContact CB-CG2 3.94Å; H450-T500 PolarHBondContact O-N 3.21Å; T500-G502 VanDerWaalsContact C-N 3.31Å
501D88.7Confident91.9Very high52 Ų5235.5 Ų35.528%0.27820%0.204SC..THydrogen-bonded Turntrans-86.92.9175.160.3-4.8000113.9C415 T418 R499 L503C415-D501 PolarHBondContact SG-OD2 3.13Å; T418-D501 PolarHBondContact OG1-OD2 3.2Å; R499-D501 VanDerWaalsContact CB-OD1 3.31Å; R499-D501 WeakPolarHBondContact CB-OD1 3.49Å; R499-D501 WeakPolarHBondContact CG-OD1 3.25Å; R499-D501 IonicContact CZ-OD1 2.68Å; R499-D501 IonicContact CZ-OD2 3.05Å; R499-D501 VanDerWaalsContact NE-CG 3.28Å; R499-D501 IonicContact NE-OD1 2.64Å; R499-D501 PolarHBondContact NE-OD1 3.42Å; R499-D501 IonicContact NE-OD2 3.06Å; R499-D501 PolarHBondContact NE-OD2 2.98Å; R499-D501 IonicContact NH2-OD1 3.18Å; R499-D501 IonicContact NH2-OD2 3.04Å; R499-D501 PolarHBondContact NH2-OD2 3.13Å; R499-D501 PolarHBondContact O-N 3.16Å; D501-L503 PolarHBondContact OD1-N 3.16Å
502G89Confident92.2Very high31 Ų3134.4 Ų34.432%0.3220%0.199SC..SBendtrans89.84.4177.300000114.9R499 T500 I504R499-G502 PolarHBondContact O-N 3.47Å; T500-G502 VanDerWaalsContact C-N 3.31Å; G502-I504 PolarHBondContact O-N 3Å
503L91.9Very high92.1Very high0 Ų031.9 Ų31.90%018%0.181CC..  trans-68124.6171.7178.460.6000110.4F409 Q411 V420 I498 R499 D501 Y505F409-L503 HydrophobicContact CB-CD1 4.16Å; F409-L503 HydrophobicContact CD2-CD1 4.02Å; Q411-L503 HydrophobicContact CB-CD1 3.86Å; Q411-L503 HydrophobicContact CG-CD1 4.19Å; V420-L503 HydrophobicContact CB-CD2 3.88Å; V420-L503 HydrophobicContact CG1-CD1 4.12Å; V420-L503 HydrophobicContact CG1-CD2 3.89Å; I498-L503 CarbonylContact C-O 3.56Å; I498-L503 WeakPolarHBondContact CA-O 3.46Å; R499-L503 HydrophobicContact CB-CB 4.24Å; R499-L503 PolarHBondContact N-O 3.43Å; D501-L503 PolarHBondContact OD1-N 3.16Å; L503-Y505 HydrophobicContact CD2-CE1 3.77Å; L503-Y505 HydrophobicContact CD2-CE2 4.16Å; L503-Y505 VanDerWaalsContact CD2-CZ 3.45Å; L503-Y505 WeakPolarHBondContact CD2-OH 3.26Å; L503-Y505 HydrophobicContact CG-CE1 4.17Å; L503-Y505 HydrophobicContact CG-CE2 4.22Å
504I93.6Very high91.7Very high39 Ų3933.6 Ų33.620%0.219%0.192CC..EExtended strand (participates in β ladder)trans-105.1125.6177.8-56.2170.8000109.2F409 N410 L454 L497 I498 G502F409-I504 CarbonylContact C-O 3.51Å; F409-I504 WeakPolarHBondContact CA-O 3.27Å; F409-I504 WeakPolarHBondContact CB-O 3.28Å; N410-I504 HydrophobicContact CB-CB 4.21Å; N410-I504 PolarHBondContact N-O 3.5Å; N410-I504 PolarHBondContact O-N 3.37Å; N410-I504 VanDerWaalsContact O-N 3.09Å; L454-I504 HydrophobicContact CD1-CD1 4.45Å; L454-I504 HydrophobicContact CD1-CG1 4.42Å; L454-I504 HydrophobicContact CD1-CG2 4.26Å; L497-I504 CarbonylContact O-C 3.48Å; L497-I504 WeakPolarHBondContact O-CA 3.49Å; I498-I504 HydrophobicContact CB-CG1 4.44Å; I498-I504 HydrophobicContact CD1-CG1 4.08Å; I498-I504 HydrophobicContact CG1-CG1 4.08Å; G502-I504 PolarHBondContact O-N 3Å
505Y95.1Very high90.9Very high4 Ų431.3 Ų31.32%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-95.9118.8168.6-52.8-82.5000108.9F409 V420 F423 P424 L451 S496 L497 R499 L503F409-Y505 HydrophobicContact CB-CD1 4.34Å; V420-Y505 WeakPolarHBondContact O-CE1 3.32Å; V420-Y505 PolarHBondContact O-OH 3.32Å; V420-Y505 VanDerWaalsContact O-OH 3.04Å; F423-Y505 HydrophobicContact CD1-CD1 4.48Å; F423-Y505 AromaticContact CD2-CD1 3.87Å; F423-Y505 HydrophobicContact CD2-CD1 3.87Å; F423-Y505 AromaticContact CD2-CE1 3.96Å; F423-Y505 HydrophobicContact CD2-CE1 3.96Å; F423-Y505 HydrophobicContact CE1-CD1 4.28Å; F423-Y505 AromaticContact CE2-CD1 3.64Å; F423-Y505 HydrophobicContact CE2-CD1 3.64Å; F423-Y505 HydrophobicContact CE2-CE1 4.15Å; F423-Y505 HydrophobicContact CG-CD1 4.29Å; F423-Y505 HydrophobicContact CG-CE1 4.41Å; F423-Y505 AromaticContact CZ-CD1 3.86Å; F423-Y505 HydrophobicContact CZ-CD1 3.86Å; P424-Y505 VanDerWaalsContact CD-CD1 3.5Å; P424-Y505 HydrophobicContact CG-CD1 3.94Å; P424-Y505 HydrophobicContact CG-CD2 3.52Å; P424-Y505 HydrophobicContact CG-CE1 4.31Å; P424-Y505 HydrophobicContact CG-CE2 3.92Å; P424-Y505 HydrophobicContact CG-CG 3.51Å; L451-Y505 HydrophobicContact CD2-CD2 4.19Å; L451-Y505 HydrophobicContact CD2-CE2 3.75Å; S496-Y505 WeakPolarHBondContact CA-O 3.42Å; S496-Y505 WeakPolarHBondContact CB-O 3.23Å; L497-Y505 HydrophobicContact CB-CD2 4.21Å; L497-Y505 PolarHBondContact N-O 3.23Å; L497-Y505 PolarHBondContact O-N 3.41Å; R499-Y505 HydrophobicContact CB-CE2 4.28Å; L503-Y505 HydrophobicContact CD2-CE1 3.77Å; L503-Y505 HydrophobicContact CD2-CE2 4.16Å; L503-Y505 VanDerWaalsContact CD2-CZ 3.45Å; L503-Y505 WeakPolarHBondContact CD2-OH 3.26Å; L503-Y505 HydrophobicContact CG-CE1 4.17Å; L503-Y505 HydrophobicContact CG-CE2 4.22Å
506R93.9Very high89.6Confident81 Ų8137.2 Ų37.231%0.30621%0.205SC..EExtended strand (participates in β ladder)trans-80.2142.8176.9-60.7-57.9-171.380.15.1109.5D106 T408 S496D106-R506 VanDerWaalsContact CG-CZ 3.46Å; D106-R506 VanDerWaalsContact CG-NH2 3.26Å; D106-R506 IonicContact OD1-CZ 3.79Å; D106-R506 IonicContact OD1-NE 2.97Å; D106-R506 IonicContact OD1-NH1 2.73Å; D106-R506 IonicContact OD1-NH2 3.78Å; D106-R506 PolarHBondContact OD1-NH2 2.95Å; D106-R506 IonicContact OD2-CZ 3.29Å; D106-R506 IonicContact OD2-NE 3.8Å; D106-R506 IonicContact OD2-NH1 2.98Å; D106-R506 PolarHBondContact OD2-NH1 2.84Å; D106-R506 IonicContact OD2-NH2 2.71Å; D106-R506 PolarHBondContact OD2-NH2 3.21Å; T408-R506 HydrophobicContact CG2-CB 3.84Å; T408-R506 HydrophobicContact CG2-CG 3.81Å; T408-R506 PolarHBondContact O-N 2.98Å; S496-R506 WeakPolarHBondContact OG-CD 3.4Å
507T92.8Very high87.8Confident35 Ų3544.9 Ų44.922%0.21524%0.244CC..EExtended strand (participates in β ladder)trans-121.3158.6177.985.30000109.8I426 L495 Y509I426-T507 HydrophobicContact CD1-CG2 3.72Å; L495-T507 PolarHBondContact O-OG1 2.92Å; T507-Y509 PolarHBondContact O-N 2.85Å; T507-Y509 PolarHBondContact OG1-N 2.98Å
508S90.1Very high85.6Confident72 Ų7251.7 Ų51.750%0.50328%0.276SS..EExtended strand (participates in β ladder)trans-82.21.7172.957.50000113.2
509Y92.4Very high82.9Confident36 Ų3657.9 Ų57.914%0.14131%0.308CS..EExtended strand (participates in β ladder)trans-91.5146.9-177-63.3-79.8000111I426 L429 L495 T507 M560I426-Y509 HydrophobicContact CB-CD2 4.13Å; I426-Y509 HydrophobicContact CB-CE2 3.64Å; I426-Y509 HydrophobicContact CD1-CD2 4.4Å; I426-Y509 HydrophobicContact CG2-CD2 3.9Å; I426-Y509 HydrophobicContact CG2-CE2 3.45Å; I426-Y509 VanDerWaalsContact CG2-CE2 3.45Å; I426-Y509 PolarHBondContact O-OH 2.88Å; I426-Y509 VanDerWaalsContact O-OH 3.09Å; L429-Y509 HydrophobicContact CD1-CD1 3.69Å; L429-Y509 HydrophobicContact CD1-CD2 4.29Å; L429-Y509 HydrophobicContact CD1-CE1 4.41Å; L429-Y509 HydrophobicContact CD1-CG 3.61Å; L429-Y509 HydrophobicContact CG-CD1 4.39Å; L429-Y509 HydrophobicContact CG-CG 4.47Å; L495-Y509 PolarHBondContact N-O 2.74Å; T507-Y509 PolarHBondContact O-N 2.85Å; T507-Y509 PolarHBondContact OG1-N 2.98Å; Y509-M560 HydrophobicContact CD1-CG 4.32Å; Y509-M560 HydrophobicContact CE1-CG 3.98Å
510S92.5Very high80.2Confident7 Ų762.1 Ų62.15%0.04934%0.34CS..EExtended strand (participates in β ladder)trans-130.2150.9171.866.40000109.9L493L493-S510 CarbonylContact O-C 3.51Å; L493-S510 WeakPolarHBondContact O-CA 3.49Å; L493-S510 WeakPolarHBondContact O-CB 3.29Å
511F91.2Very high77.8Confident4 Ų461.8 Ų61.82%0.01835%0.348CS..EExtended strand (participates in β ladder)trans-110.3131.3175-174.4-89.7000109.4V431 F455 I474 T492 L493 L495 Y513 F556V431-F511 HydrophobicContact CG2-CE2 4.01Å; F455-F511 HydrophobicContact CD1-CB 4.05Å; F455-F511 HydrophobicContact CD1-CD1 4.22Å; F455-F511 HydrophobicContact CD1-CG 4.11Å; F455-F511 HydrophobicContact CE1-CB 4.01Å; F455-F511 HydrophobicContact CE1-CD1 4.08Å; F455-F511 HydrophobicContact CE1-CD2 4.04Å; F455-F511 AromaticContact CE1-CG 3.75Å; F455-F511 HydrophobicContact CE1-CG 3.75Å; I474-F511 HydrophobicContact CD1-CE2 3.82Å; I474-F511 HydrophobicContact CD1-CZ 3.85Å; I474-F511 HydrophobicContact CG1-CE2 4.43Å; I474-F511 HydrophobicContact CG1-CZ 4.42Å; I474-F511 HydrophobicContact CG2-CE1 3.91Å; I474-F511 HydrophobicContact CG2-CZ 3.79Å; T492-F511 CarbonylContact C-O 3.53Å; T492-F511 WeakPolarHBondContact CA-O 3.43Å; L493-F511 PolarHBondContact N-O 2.64Å; L493-F511 PolarHBondContact O-N 3.27Å; L495-F511 HydrophobicContact CD1-CB 4.22Å; L495-F511 HydrophobicContact CD2-CB 3.87Å; L495-F511 HydrophobicContact CG-CB 4.11Å; F511-Y513 AromaticContact CD1-CD2 3.99Å; F511-Y513 HydrophobicContact CD1-CD2 3.99Å; F511-Y513 HydrophobicContact CD1-CE1 4.32Å; F511-Y513 AromaticContact CD1-CE2 3.58Å; F511-Y513 HydrophobicContact CD1-CE2 3.58Å; F511-Y513 HydrophobicContact CD1-CG 4.49Å; F511-Y513 AromaticContact CD1-CZ 3.75Å; F511-Y513 AromaticContact CE1-CD1 3.91Å; F511-Y513 HydrophobicContact CE1-CD1 3.91Å; F511-Y513 HydrophobicContact CE1-CD2 4.03Å; F511-Y513 AromaticContact CE1-CE1 3.61Å; F511-Y513 HydrophobicContact CE1-CE1 3.61Å; F511-Y513 AromaticContact CE1-CE2 3.73Å; F511-Y513 HydrophobicContact CE1-CE2 3.73Å; F511-Y513 HydrophobicContact CE1-CG 4.1Å; F511-Y513 AromaticContact CE1-CZ 3.49Å; F511-Y513 VanDerWaalsContact CE1-CZ 3.49Å; F511-F556 HydrophobicContact CZ-CD1 4.2Å; F511-F556 HydrophobicContact CZ-CE1 4.47Å
512T89.4Confident75.3Confident10 Ų1064.3 Ų64.36%0.06137%0.37CS..EExtended strand (participates in β ladder)trans-118.3123.6-176-60.60000111.2I490 I491 T492 T514I490-T512 HydrophobicContact CG2-CG2 3.3Å; I491-T512 CarbonylContact O-C 3.58Å; I491-T512 VanDerWaalsContact O-CA 3.3Å; I491-T512 WeakPolarHBondContact O-CA 3.3Å; T492-T512 WeakPolarHBondContact CG2-OG1 3.45Å; T492-T512 WeakPolarHBondContact OG1-CG2 3.28Å; T492-T512 PolarHBondContact OG1-OG1 2.81Å; T512-T514 HydrophobicContact CG2-CG2 4.14Å
513Y86Confident72.9Confident21 Ų2168.5 Ų68.58%0.08239%0.394CS..EExtended strand (participates in β ladder)trans-86.2117.1168.1-61.3-91.9000109.1I474 P475 V477 Y480 I490 I491 L493 F511I474-Y513 HydrophobicContact CG2-CE1 4.07Å; P475-Y513 PolarHBondContact O-OH 3.14Å; V477-Y513 HydrophobicContact CB-CD1 3.99Å; V477-Y513 HydrophobicContact CB-CE1 4.23Å; V477-Y513 HydrophobicContact CB-CG 4.42Å; V477-Y513 HydrophobicContact CG2-CD1 4.13Å; V477-Y513 HydrophobicContact CG2-CD2 4.48Å; V477-Y513 HydrophobicContact CG2-CG 4.05Å; Y480-Y513 HydrophobicContact CE2-CE2 4.35Å; I490-Y513 WeakPolarHBondContact CA-O 3.45Å; I491-Y513 HydrophobicContact CB-CD2 4.3Å; I491-Y513 HydrophobicContact CG2-CD2 4.26Å; I491-Y513 PolarHBondContact N-O 3.15Å; I491-Y513 VanDerWaalsContact N-O 3.13Å; I491-Y513 PolarHBondContact O-N 3.09Å; L493-Y513 HydrophobicContact CD1-CE2 3.75Å; L493-Y513 HydrophobicContact CG-CE2 4.31Å; F511-Y513 AromaticContact CD1-CD2 3.99Å; F511-Y513 HydrophobicContact CD1-CD2 3.99Å; F511-Y513 HydrophobicContact CD1-CE1 4.32Å; F511-Y513 AromaticContact CD1-CE2 3.58Å; F511-Y513 HydrophobicContact CD1-CE2 3.58Å; F511-Y513 HydrophobicContact CD1-CG 4.49Å; F511-Y513 AromaticContact CD1-CZ 3.75Å; F511-Y513 AromaticContact CE1-CD1 3.91Å; F511-Y513 HydrophobicContact CE1-CD1 3.91Å; F511-Y513 HydrophobicContact CE1-CD2 4.03Å; F511-Y513 AromaticContact CE1-CE1 3.61Å; F511-Y513 HydrophobicContact CE1-CE1 3.61Å; F511-Y513 AromaticContact CE1-CE2 3.73Å; F511-Y513 HydrophobicContact CE1-CE2 3.73Å; F511-Y513 HydrophobicContact CE1-CG 4.1Å; F511-Y513 AromaticContact CE1-CZ 3.49Å; F511-Y513 VanDerWaalsContact CE1-CZ 3.49Å
514T82.5Confident70.3Confident56 Ų5679.8 Ų79.834%0.34444%0.437SS..  trans-105.9124.317646.40000110.2T512T512-T514 HydrophobicContact CG2-CG2 4.14Å
515P74.7Confident67.3Low29 Ų2981.4 Ų81.419%0.18846%0.463CS..  trans-66144.2171.8-11.423.3000111W484 R488 L517W484-P515 HydrophobicContact CH2-CG 4.22Å; W484-P515 HydrophobicContact CZ2-CG 3.93Å; R488-P515 HydrophobicContact CB-CB 3.81Å; R488-P515 HydrophobicContact CB-CG 4.08Å; R488-P515 HydrophobicContact CG-CB 4.31Å; R488-P515 VanDerWaalsContact O-CG 3.26Å; R488-P515 WeakPolarHBondContact O-CG 3.2Å; P515-L517 PolarHBondContact O-N 3.39Å
516E69.4Low64.5Low124 Ų12486.5 Ų86.558%0.57951%0.506SS*.  trans-67.7122.9172.2-69.2176.2-178.100110.7R488R488-E516 PolarHBondContact NH1-O 3.22Å
517L56.8Low61.6Low171 Ų17187.5 Ų87.590%0.89553%0.532SS*.  trans-87.3105.5171.7-71.2167.6000108.4P515 L519P515-L517 PolarHBondContact O-N 3.39Å; L517-L519 PolarHBondContact O-N 2.98Å
518H50.1Low58.6Low145 Ų14590 Ų9067%0.67156%0.564SS**  trans-69.8114.5166-94.8-80.4000109.1
519L37.3Very low55.7Low160 Ų16090.4 Ų90.484%0.83858%0.58SS**PPolyproline II helixtrans-74.2125.6156.9-77.1162.5000107.3L517 A521L517-L519 PolarHBondContact O-N 2.98Å; L519-A521 PolarHBondContact O-N 3Å
520P36.4Very low52.8Low122 Ų122100 Ų10079%0.79262%0.616SS**PPolyproline II helixtrans-64.3127.3176.5-12.324.9000109.3S522P520-S522 PolarHBondContact O-N 3.46Å
521A39.7Very low49.8Very low99 Ų99107.7 Ų107.782%0.81865%0.651SS**PPolyproline II helixtrans-55.9125.4171.700000109.6L519 S523L519-A521 PolarHBondContact O-N 3Å; A521-S523 PolarHBondContact O-N 2.88Å
522S37.3Very low47Very low104 Ų104112.2 Ų112.273%0.72769%0.69SS**  trans-58.3109.3173.7156.50000109.6P520 R524P520-S522 PolarHBondContact O-N 3.46Å; S522-R524 PolarHBondContact O-N 3.36Å
523S38.8Very low44.2Very low120 Ų120119.5 Ų119.584%0.83973%0.728SS**  trans-61.995.5169.6570000110.3A521 G525A521-S523 PolarHBondContact O-N 2.88Å; S523-G525 PolarHBondContact O-N 3.01Å
524R35.9Very low41.5Very low237 Ų237122 Ų12289%0.89476%0.761SS**  trans-89100.6165.6-97.4-173169.1-178.4-2.4109.7S522S522-R524 PolarHBondContact O-N 3.36Å
525G31.3Very low39.1Very low72 Ų72123.4 Ų123.474%0.74279%0.786SS**  trans60.6101.1134.600000118.3S523S523-G525 PolarHBondContact O-N 3.01Å
526A36.2Very low37.5Very low111 Ų111131.1 Ų131.192%0.91782%0.819SS**  trans-63.2129155.700000111
527A32.6Very low36.1Very low103 Ų103134 Ų13485%0.85183%0.833SS**  trans-153.495.1158.400000111
528G30.7Very low35.4Very low87 Ų87132 Ų13290%0.89782%0.823SS**  trans42.3127.9142.400000123.5
529G29.5Very low34.7Very low81 Ų81127.5 Ų127.584%0.83582%0.816SS**  trans150.2114.1145.700000115.4
530R31.6Very low34.9Very low236 Ų236127.5 Ų127.589%0.89181%0.811SS**  trans-62.4160172.9-62.8170.9173.4170.4-3.9110.9
531E29.1Very low35.2Very low169 Ų169127.1 Ų127.179%0.7980%0.803SS**  cis-179.5148.346.9-144.6161.7-128.400110.3
532A31.6Very low35.3Very low100 Ų100127.5 Ų127.583%0.82679%0.79SS**  trans57145.9155.100000120.4
533D30.6Very low35.7Very low163 Ų163127.9 Ų127.987%0.87278%0.783SS**  cis-172.4152.2-3.7176.729000106
534G29.9Very low36Very low74 Ų74127 Ų12776%0.76377%0.769SS**  trans93.2123.4160.600000119.3
535G30.7Very low36.1Very low85 Ų85122.1 Ų122.188%0.87676%0.756SS**  trans116.678.8156.500000115.7
536Q42.3Very low36.5Very low191 Ų191122.1 Ų122.189%0.89374%0.742SS**  trans-83.9110.9166.8176.6165.1-11.100108.3
537E39.3Very low36.8Very low183 Ų183120.4 Ų120.486%0.85572%0.716SS**SBendtrans-1803.4151.1-102.5171.4-16300117.7
538D42Very low36.9Very low131 Ų131122.4 Ų122.470%0.70171%0.708SS**SBendtrans-108.210-178.6-78-25.2000115.6I542D538-I542 WeakPolarHBondContact O-CD1 3.38Å
539G36.6Very low37.1Very low50 Ų50125.3 Ų125.352%0.51570%0.698SS.*Hα-helixtrans-84.5-25.4-174.300000115.5L543G539-L543 PolarHBondContact O-N 2.76Å
540E40.3Very low37.3Very low159 Ų159128.3 Ų128.374%0.74369%0.69SS**Hα-helixtrans-85.5-34.3-175.4-68.6-170164.600112.3L543 L544E540-L543 PolarHBondContact O-N 3.43Å; E540-L544 WeakPolarHBondContact O-CB 3.34Å; E540-L544 WeakPolarHBondContact O-CD1 3.48Å; E540-L544 PolarHBondContact O-N 3.21Å
541D42.7Very low37.5Very low115 Ų115124.2 Ų124.262%0.61568%0.679SS**Hα-helixtrans-72.1-34.6179.3-77.5-17000112.5L544 E545D541-L544 PolarHBondContact O-N 2.76Å; D541-E545 WeakPolarHBondContact O-CB 3.47Å; D541-E545 PolarHBondContact O-N 3.3Å
542I43.6Very low37.9Very low106 Ų106121 Ų12154%0.54467%0.671SS.*Hα-helixtrans-71.9-35.3174.2-58.4172.2000110.5D538 T546D538-I542 WeakPolarHBondContact O-CD1 3.38Å; I542-T546 VanDerWaalsContact O-CB 3.23Å; I542-T546 WeakPolarHBondContact O-CB 3.15Å; I542-T546 PolarHBondContact O-N 2.79Å; I542-T546 PolarHBondContact O-OG1 3.41Å
543L44.6Very low38Very low113 Ų113126.2 Ų126.259%0.59267%0.669SS**Hα-helixtrans-68.6-40.4173.4-126.3103000111.1G539 E540 T546 I547G539-L543 PolarHBondContact O-N 2.76Å; E540-L543 PolarHBondContact O-N 3.43Å; L543-T546 PolarHBondContact O-N 3.16Å; L543-I547 HydrophobicContact CD2-CD1 4.12Å; L543-I547 VanDerWaalsContact O-CB 3.27Å; L543-I547 WeakPolarHBondContact O-CB 3.45Å; L543-I547 WeakPolarHBondContact O-CD1 3.4Å; L543-I547 WeakPolarHBondContact O-CG1 3.33Å; L543-I547 PolarHBondContact O-N 3.03Å
544L45.8Very low38.2Very low102 Ų102120.9 Ų120.953%0.53464%0.643SS.*Hα-helixtrans-68.5-38.8176.4-98.385.7000112.3E540 D541 H548E540-L544 WeakPolarHBondContact O-CB 3.34Å; E540-L544 WeakPolarHBondContact O-CD1 3.48Å; E540-L544 PolarHBondContact O-N 3.21Å; D541-L544 PolarHBondContact O-N 2.76Å; L544-H548 VanDerWaalsContact O-CB 3.31Å; L544-H548 WeakPolarHBondContact O-CB 3.35Å; L544-H548 PolarHBondContact O-N 3.39Å
545E38.5Very low38.4Very low133 Ų133123 Ų12362%0.62164%0.636SS**Hα-helixtrans-67.7-38.2173.3-102.1-170.6149.800112D541 H548 Q549D541-E545 WeakPolarHBondContact O-CB 3.47Å; D541-E545 PolarHBondContact O-N 3.3Å; E545-H548 PolarHBondContact O-N 2.85Å; E545-Q549 WeakPolarHBondContact O-CB 3.19Å; E545-Q549 PolarHBondContact O-N 2.8Å
546T39.1Very low38.9Very low73 Ų73121.7 Ų121.745%0.44861%0.607SS.*Hα-helixtrans-71.5-37.2177.4-51.90000111I542 L543 Q549 E550I542-T546 VanDerWaalsContact O-CB 3.23Å; I542-T546 WeakPolarHBondContact O-CB 3.15Å; I542-T546 PolarHBondContact O-N 2.79Å; I542-T546 PolarHBondContact O-OG1 3.41Å; L543-T546 PolarHBondContact O-N 3.16Å; T546-Q549 PolarHBondContact O-N 3.28Å; T546-E550 VanDerWaalsContact O-CB 3.31Å; T546-E550 WeakPolarHBondContact O-CB 3.47Å; T546-E550 WeakPolarHBondContact O-CG 3.28Å; T546-E550 PolarHBondContact O-N 2.81Å
547I41.1Very low38.8Very low74 Ų74117.7 Ų117.738%0.37959%0.588SS.*Hα-helixtrans-66.4-42.1170.5-69.6164.8000110.1L543 Q549 E550 F551L543-I547 HydrophobicContact CD2-CD1 4.12Å; L543-I547 VanDerWaalsContact O-CB 3.27Å; L543-I547 WeakPolarHBondContact O-CB 3.45Å; L543-I547 WeakPolarHBondContact O-CD1 3.4Å; L543-I547 WeakPolarHBondContact O-CG1 3.33Å; L543-I547 PolarHBondContact O-N 3.03Å; I547-Q549 VanDerWaalsContact C-N 3.35Å; I547-Q549 PolarHBondContact O-N 3.49Å; I547-E550 PolarHBondContact O-N 3.31Å; I547-F551 HydrophobicContact CG2-CD2 3.82Å; I547-F551 HydrophobicContact CG2-CE2 3.92Å; I547-F551 VanDerWaalsContact O-CD2 3.3Å; I547-F551 WeakPolarHBondContact O-CD2 3.44Å; I547-F551 PolarHBondContact O-N 3.4Å; I547-F551 VanDerWaalsContact O-N 3.11Å
548H36.3Very low38.6Very low146 Ų146112 Ų11268%0.67656%0.563SS**Hα-helixtrans-64.3-37.2177.5-107.161.2000112.9L544 E545 T552L544-H548 VanDerWaalsContact O-CB 3.31Å; L544-H548 WeakPolarHBondContact O-CB 3.35Å; L544-H548 PolarHBondContact O-N 3.39Å; E545-H548 PolarHBondContact O-N 2.85Å; H548-T552 PolarHBondContact O-OG1 2.63Å
549Q35.1Very low38.3Very low147 Ų147111.9 Ų111.969%0.68756%0.557SS**Hα-helixtrans-77.6-30.5175.7-76.9-172.76.900113.5E545 T546 I547 T552E545-Q549 WeakPolarHBondContact O-CB 3.19Å; E545-Q549 PolarHBondContact O-N 2.8Å; T546-Q549 PolarHBondContact O-N 3.28Å; I547-Q549 VanDerWaalsContact C-N 3.35Å; I547-Q549 PolarHBondContact O-N 3.49Å; Q549-T552 PolarHBondContact O-OG1 3.33Å
550E32.8Very low37.9Very low145 Ų145116.1 Ų116.168%0.67857%0.565SS**Hα-helixtrans-72.4-26.6175.2-82.7-160150.200113.1T546 I547 T552T546-E550 VanDerWaalsContact O-CB 3.31Å; T546-E550 WeakPolarHBondContact O-CB 3.47Å; T546-E550 WeakPolarHBondContact O-CG 3.28Å; T546-E550 PolarHBondContact O-N 2.81Å; I547-E550 PolarHBondContact O-N 3.31Å; E550-T552 VanDerWaalsContact C-N 3.32Å; E550-T552 PolarHBondContact O-N 3.14Å
551F35.3Very low37.3Very low149 Ų149115.7 Ų115.765%0.65456%0.563SS**THydrogen-bonded Turntrans-80.4-4.5177.5-93.6-90.5000114.8I547I547-F551 HydrophobicContact CG2-CD2 3.82Å; I547-F551 HydrophobicContact CG2-CE2 3.92Å; I547-F551 VanDerWaalsContact O-CD2 3.3Å; I547-F551 WeakPolarHBondContact O-CD2 3.44Å; I547-F551 PolarHBondContact O-N 3.4Å; I547-F551 VanDerWaalsContact O-N 3.11Å
552T37.6Very low36.6Very low101 Ų101119.1 Ų119.162%0.6260%0.596SS**THydrogen-bonded Turntrans-95.210-170.1-13.60000116H548 Q549 E550H548-T552 PolarHBondContact O-OG1 2.63Å; Q549-T552 PolarHBondContact O-OG1 3.33Å; E550-T552 VanDerWaalsContact C-N 3.32Å; E550-T552 PolarHBondContact O-N 3.14Å
553R34Very low36.2Very low210 Ų210119.8 Ų119.879%0.79260%0.598SS**  trans-129.178.6-178-79.8-170.8158103.5-1.6113.7
554T34.2Very low35.8Very low51 Ų51120.1 Ų120.131%0.31360%0.599SS.*  trans-86109.6161.735.50000109.4F556T554-F556 VanDerWaalsContact CB-CZ 3.47Å; T554-F556 HydrophobicContact CG2-CE2 4.3Å; T554-F556 HydrophobicContact CG2-CZ 3.96Å; T554-F556 PolarHBondContact O-N 3.41Å; T554-F556 WeakPolarHBondContact OG1-CE2 3.34Å
555N33.8Very low35.3Very low118 Ų118121.1 Ų121.163%0.63160%0.602SS**  trans-83.199.8169.1-75.6-39.1000108.4
556F42.3Very low35.1Very low59 Ų59120.4 Ų120.426%0.25960%0.601SS.*  trans-89.4128.9171.9-59.1-77.8000109.8V431 A438 F511 T554V431-F556 HydrophobicContact CB-CB 4.16Å; V431-F556 HydrophobicContact CB-CD2 4.02Å; V431-F556 HydrophobicContact CB-CG 4.19Å; V431-F556 HydrophobicContact CG1-CB 4.23Å; V431-F556 HydrophobicContact CG1-CD1 4.29Å; V431-F556 HydrophobicContact CG1-CD2 3.34Å; V431-F556 HydrophobicContact CG1-CE2 3.6Å; V431-F556 HydrophobicContact CG1-CG 3.71Å; V431-F556 HydrophobicContact CG1-CZ 4.2Å; V431-F556 HydrophobicContact CG2-CB 4.07Å; V431-F556 HydrophobicContact CG2-CG 4.37Å; A438-F556 HydrophobicContact CB-CZ 4.26Å; F511-F556 HydrophobicContact CZ-CD1 4.2Å; F511-F556 HydrophobicContact CZ-CE1 4.47Å; T554-F556 VanDerWaalsContact CB-CZ 3.47Å; T554-F556 HydrophobicContact CG2-CE2 4.3Å; T554-F556 HydrophobicContact CG2-CZ 3.96Å; T554-F556 PolarHBondContact O-N 3.41Å; T554-F556 WeakPolarHBondContact OG1-CE2 3.34Å
557H40.2Very low34.8Very low106 Ų106123.4 Ų123.449%0.49161%0.611SS.*  trans-111.3116.6174.8-67.2-64.4000110.6F559H557-F559 HydrophobicContact CB-CD2 4.4Å; H557-F559 HydrophobicContact CB-CE2 3.66Å; H557-F559 HydrophobicContact CB-CZ 3.98Å
558L35.7Very low34.4Very low63 Ų63126.7 Ų126.733%0.3363%0.626SS.*  trans-86.5124.8170.4-87144.9000109.1L429 V431L429-L558 HydrophobicContact CB-CD1 3.97Å; L429-L558 HydrophobicContact CB-CD2 3.65Å; L429-L558 HydrophobicContact CB-CG 4.48Å; L429-L558 HydrophobicContact CD1-CD2 3.6Å; L429-L558 HydrophobicContact CG-CD2 4.28Å; L429-L558 WeakPolarHBondContact O-CD1 3.43Å; V431-L558 HydrophobicContact CG2-CD1 4.23Å
559F34.6Very low34.3Very low129 Ų129125.3 Ų125.357%0.56662%0.622SS**EExtended strand (participates in β ladder)trans-116.1131172.5-65.1-78.3000110H557H557-F559 HydrophobicContact CB-CD2 4.4Å; H557-F559 HydrophobicContact CB-CE2 3.66Å; H557-F559 HydrophobicContact CB-CZ 3.98Å
560M28.6Very low34.2Very low140 Ų140123.6 Ų123.669%0.6962%0.617SS**EExtended strand (participates in β ladder)trans-79.4127.5161.6-76.8175.139.500108.2Y509 S562Y509-M560 HydrophobicContact CD1-CG 4.32Å; Y509-M560 HydrophobicContact CE1-CG 3.98Å; M560-S562 PolarHBondContact O-N 3.36Å
561Q28.1Very low34.3Very low149 Ų149121.8 Ų121.870%0.69661%0.612SS**  trans-72.6119.1165.8-83.3-177.2-25.500108.5
562S27.4Very low34.2Very low187 Ų187119.4 Ų119.4100%1.30861%0.609SS**  trans-77.50177.3590000112.9M560M560-S562 PolarHBondContact O-N 3.36Å

Retrieved 562 of 562 residues in 240.2 ms (Link to these results)