A0A087XII8_POEFO Loading...

RNA binding motif protein 10

AlphaFold DB , UniProt , Accession A0A087XII8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 768 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low33.2Very low225 Ų225157.4 Ų157.4100%1.10878%0.782SS**  0105.10-64.6175.2-178.400107.1
2D29.6Very low32.7Very low136 Ų136149.6 Ų149.673%0.72777%0.772SS**  cis57.3118.415.7-30.9-66.2000111.3
3Y33.2Very low32.4Very low208 Ų208148.9 Ų148.982%0.81677%0.771SS**  cis-122.5146.623.4-91-114.3000111
4E33Very low32.4Very low124 Ų124153.8 Ų153.858%0.57977%0.774SS**  57.1108.467.4-77.5-140.8122.600113.7
5R32.6Very low32.2Very low197 Ų197154.2 Ų154.274%0.74378%0.777SS**  79.6105.872.4-178.3-164.9-162.4178.86.6112.9
6S33.5Very low32Very low109 Ų109148.8 Ų148.876%0.76277%0.772SS**  trans-150.2132.8149.1-87.20000110.4
7I32.4Very low31.8Very low109 Ų109154.4 Ų154.456%0.55978%0.781SS**  74.7125.152.5-64.6-72.6000109.4
8R31.1Very low31.7Very low219 Ų219158.6 Ų158.683%0.82679%0.787SS**  cis-151.4-174.60.1-106.4165.7-154.1150.45.9106.5
9G27.9Very low31.6Very low75 Ų75154 Ų15477%0.77379%0.785SS**  cis104.997.313.200000112.9
10G27.6Very low31.3Very low72 Ų72151.7 Ų151.774%0.74278%0.783SS**  trans158.1137.5178.900000109.7
11R35Very low31.2Very low257 Ų257150.2 Ų150.297%0.9779%0.787SS**  cis63.7129.48.1-70.7-171.8176-178.6-0.5116.6
12G27.4Very low30.2Very low64 Ų64146.7 Ų146.766%0.6677%0.767SS**  trans84.7141.1-172.400000111.9
13D28.5Very low30.2Very low141 Ų141147.4 Ų147.475%0.75477%0.771SS**  cis-151.1150.4-10.3-94.4-68.5000106.9
14R32.1Very low30.1Very low217 Ų217142.3 Ų142.382%0.81976%0.758SS**  69.9138.364.7-140.2-178.3-165.1-173.24.3112.9
15I30.3Very low30.2Very low160 Ų160145 Ų14582%0.82177%0.77SS**  trans70.4132.8-165.2-64.172.1000111.7
16G28.8Very low30.2Very low67 Ų67141.9 Ų141.969%0.69177%0.768SS**  cis123.6114.4-4.200000113.5
17R28.6Very low30.1Very low244 Ų244144.8 Ų144.892%0.92177%0.767SS**  trans-150.5133.5166.1-168.4164.5-70.4-144.4-0.3111.1
18Y30Very low30.2Very low230 Ų230148.5 Ų148.590%0.90277%0.774SS**  trans-89.5165.3-176.6-87.8-106.2000113
19G30.1Very low30.4Very low72 Ų72145.2 Ų145.274%0.74277%0.773SS**  trans140.474.3177.400000110.4
20S24.7Very low30.6Very low107 Ų107149.7 Ų149.775%0.74878%0.776SS**  cis68.288.135.5-166.70000113.9
21S29Very low30.9Very low122 Ų122153.5 Ų153.585%0.85378%0.779SS**  trans-137.3130.3148.9-166.70000107.9
22H29.9Very low30.7Very low150 Ų150152.1 Ų152.169%0.69478%0.775SS**  trans-70.6147.5177.1-99.7-85.6000110.5D24H22-D24 IonicContact CE1-OD2 3.1Å; H22-D24 PolarHBondContact CE1-OD2 3.27Å; H22-D24 IonicContact ND1-OD2 2.79Å; H22-D24 PolarHBondContact ND1-OD2 3.41Å
23N27.8Very low31Very low151 Ų151159.7 Ų159.781%0.80778%0.784SS**  -154.5121.2104.2-145.628.5000110.8
24D32.5Very low31.1Very low101 Ų101157.1 Ų157.154%0.5478%0.782SS.*  trans-86.7145.8168.6-68.7-87.5000109.5H22H22-D24 IonicContact CE1-OD2 3.1Å; H22-D24 PolarHBondContact CE1-OD2 3.27Å; H22-D24 IonicContact ND1-OD2 2.79Å; H22-D24 PolarHBondContact ND1-OD2 3.41Å
25H33.4Very low31.1Very low182 Ų182157.9 Ų157.984%0.84379%0.787SS**  trans-156.978.5136.1-89.5-42.9000110.7F27H25-F27 PolarHBondContact O-N 3.49Å
26N33.8Very low31.1Very low131 Ų131153.8 Ų153.870%0.70178%0.784SS**  trans-34.1125.6155.5168.512.4000113.3R28N26-R28 PolarHBondContact OD1-N 3.33Å
27F31.2Very low31.1Very low170 Ų170159.5 Ų159.575%0.74679%0.793SS**  trans-148.590.9152.6-114.4-78000113.5H25H25-F27 PolarHBondContact O-N 3.49Å
28R34Very low31.3Very low186 Ų186156.1 Ų156.170%0.70279%0.788SS**  trans54.6130.3142.4-70.6-175.216580.41.3121.7N26N26-R28 PolarHBondContact OD1-N 3.33Å
29D36.7Very low31.3Very low150 Ų150151.8 Ų151.880%0.80278%0.78SS**  trans-52.9151.5150.8-46.3-87.5000112.6
30M30.9Very low31.5Very low170 Ų170157 Ų15784%0.83779%0.785SS**  trans-138.786169.5-118.8-64.4-168.300109.3Y32M30-Y32 PolarHBondContact O-N 2.92Å
31D34.8Very low31.8Very low151 Ų151161.1 Ų161.181%0.80779%0.793SS**  trans-67.295.8174.9-78.5-50000110.5R33D31-R33 PolarHBondContact O-N 3.14Å
32Y31.2Very low31.8Very low228 Ų228158.6 Ų158.689%0.89479%0.785SS**  trans-77.974176.8-148.9-88.9000111.7M30M30-Y32 PolarHBondContact O-N 2.92Å
33R32.2Very low31.8Very low223 Ų223157.6 Ų157.684%0.84279%0.79SS**  trans-94.1134.6177.3-165.2177-168164.24.4110.9D31D31-R33 PolarHBondContact O-N 3.14Å
34A32Very low31.9Very low87 Ų87158.2 Ų158.272%0.71979%0.787SS**  trans-68.4137.1-173.900000114.8
35Y30.7Very low31.7Very low234 Ų234161.6 Ų161.692%0.91880%0.8SS**  trans-143.9154.4145-73.5-83.1000105.4
36G30.2Very low31.6Very low74 Ų74159.9 Ų159.976%0.76380%0.802SS**  cis175.4150-2.800000107.3
37Q30.5Very low31.4Very low186 Ų186163 Ų16387%0.86980%0.804SS**  trans-137.4145.3-177.9-176.2173.515.600108.5
38E31.4Very low31.4Very low173 Ų173161.9 Ų161.981%0.80880%0.803SS**  trans111.9122.3-155.9-72.3155.7-159.100107.8
39D31.6Very low31.5Very low139 Ų139160.6 Ų160.674%0.74381%0.805SS**  cis-156.5166.67.5-92-36.8000114.9
40E33.8Very low31.1Very low181 Ų181161 Ų16185%0.84681%0.807SS**  trans71.1153.6153.1-77.9-169.911800125
41E31.1Very low31.1Very low195 Ų195160.5 Ų160.591%0.91181%0.808SS**  trans58.3130.1175.4-56.5-170.1-176.300119.4
42G28.4Very low30.9Very low68 Ų68157.1 Ų157.170%0.70181%0.808SS**  cis168.1153.9-11.400000114.9
43V30.3Very low31.2Very low129 Ų129154.3 Ų154.378%0.78281%0.808SS**  trans82.1132.2152.9-176.30000121.8
44H29.3Very low31Very low164 Ų164154.3 Ų154.376%0.75981%0.809SS**  trans59.3103.7161.3-64.6144.3000123.9
45E28.7Very low31.2Very low173 Ų173158 Ų15881%0.80881%0.814SS**  31125.1107.7-173174.8-155.200121
46V31.1Very low32.5Very low145 Ų145151.8 Ų151.888%0.87980%0.802SS**  -170166.6123.5139.70000111.1
47R30.5Very low32.5Very low197 Ų197156 Ų15674%0.74381%0.807SS**  trans-112.4177.3-167.7176.1178.6169.6160.50.1112.6
48M30.5Very low32.5Very low146 Ų146155.6 Ų155.672%0.71981%0.805SS**  trans92.8131.5177.8-47.5-51.3-171.900112.2
49Q35.4Very low32.4Very low160 Ų160151.5 Ų151.575%0.74880%0.8SS**  cis73.4102.841-60.6176.6-75.400113.8
50D29.3Very low32.4Very low158 Ų158152.6 Ų152.685%0.84581%0.806SS**  trans-155165.2131.3-151.8-1.6000110.7
51D31.1Very low32.3Very low160 Ų160149 Ų14986%0.85681%0.806SS**  trans-91.6177.4-176.9-64.4-54.1000113.2
52G29.1Very low32.4Very low79 Ų79144.7 Ų144.781%0.81480%0.804SS**  trans164.881.6169.400000117.7
53L38.1Very low32.7Very low170 Ų170150.3 Ų150.389%0.8981%0.812SS**  trans-81.6136.1165.3-66.3163.2000110.5
54Y27.5Very low32.8Very low223 Ų223153.2 Ų153.288%0.87582%0.818SS**  trans-165.6146.3138.5-131.3-100.5000115.4
55M37.6Very low32.8Very low165 Ų165149.5 Ų149.581%0.81382%0.824SS**  trans-155.6162.5166.9-93.4-78.3-167.700105.1
56P57.8Low32.9Very low103 Ų103144.8 Ų144.867%0.66982%0.821SS**  cis-125.1-161.1-3.842.5-26.7000111.4
57D29.1Very low32.7Very low161 Ų161144.4 Ų144.486%0.86182%0.823SS**  trans-160.4170.7130.4-137.3-31.4000112.4
58E30.5Very low32.6Very low179 Ų179144 Ų14484%0.83683%0.83SS**  trans-111.8164.8-167.5-64.5-169.177.300117.4
59A30.6Very low32.7Very low86 Ų86143 Ų14371%0.71184%0.837SS**  trans98.7151.9135.800000123.3
60L31.3Very low32.6Very low163 Ų163140 Ų14085%0.85384%0.84SS**  trans87.870.9159.1-50.7-171.1000121.4
61A31.8Very low32.9Very low104 Ų104135.8 Ų135.886%0.8683%0.834SS**  36.9131.4116.900000122.9
62A32.5Very low33.2Very low105 Ų105136.7 Ų136.787%0.86883%0.833SS**  trans-148.8146.1145.400000109.3
63E34.6Very low33.5Very low186 Ų186140.8 Ų140.887%0.86984%0.836SS**  trans-101152.5-175.9-60.8-15814900113.7
64E32.2Very low33.7Very low191 Ų191137.9 Ų137.989%0.89382%0.821SS**  -178.3139.2103.8-98.3-166.1-172.500113.3
65G30.4Very low34.6Very low86 Ų86129.7 Ų129.789%0.88780%0.796SS**  trans85.6102.1139.700000121.6
66G29.7Very low35.3Very low73 Ų73125.7 Ų125.775%0.75379%0.79SS**  131.995.6128.100000120.7
67C26.3Very low34.7Very low137 Ų137128 Ų12893%0.92679%0.791SS**  trans64.6131.7153.680.80000121.3
68E29.8Very low35.7Very low189 Ų189124.7 Ų124.788%0.88377%0.771SS**  trans-103.9142.2178.8-59160.989.500111.9
69S31.6Very low36.7Very low124 Ų124120.9 Ų120.987%0.86776%0.755SS**  trans-165.989.7149.3-86.40000111.9G71S69-G71 PolarHBondContact O-N 2.97Å
70A34.6Very low37.5Very low99 Ų99121.5 Ų121.582%0.81875%0.747SS**  trans7.988160.500000117.8
71G35Very low38.4Very low69 Ų69118.9 Ų118.971%0.71173%0.73SS**  trans-75.6134.4136.500000107.9S69S69-G71 PolarHBondContact O-N 2.97Å
72Q37.6Very low39.1Very low178 Ų178121.3 Ų121.383%0.83272%0.717SS**  trans-92.3112.3170.6-72.9-177.7-46.100108.2L74Q72-L74 PolarHBondContact O-N 3.34Å
73D36.2Very low39.8Very low165 Ų165120.7 Ų120.788%0.88270%0.699SS**  trans-64.7115.6171.8-66-55.7000109.1
74L41.4Very low40.2Very low109 Ų109116.1 Ų116.157%0.57168%0.678SS**  trans-74.6139.7173.4-62177.6000109.2Q72Q72-L74 PolarHBondContact O-N 3.34Å
75S46.7Very low40.9Very low52 Ų52112.9 Ų112.936%0.36467%0.667SS.*  trans-67.8153.8-178.363.20000111.7E77 E78 L79S75-E77 PolarHBondContact O-N 3.1Å; S75-E78 WeakPolarHBondContact CB-OE2 3.27Å; S75-E78 PolarHBondContact N-OE2 2.89Å; S75-E78 PolarHBondContact O-N 3.26Å; S75-E78 VanDerWaalsContact O-N 3.09Å; S75-E78 WeakPolarHBondContact OG-CG 3.49Å; S75-E78 PolarHBondContact OG-OE2 3.34Å; S75-L79 PolarHBondContact O-N 3.37Å
76A50.9Low41.5Very low81 Ų81118.7 Ų118.767%0.66966%0.663SS**Hα-helixtrans-59.1-29.5175.800000112.3E78 L79 D80A76-E78 PolarHBondContact O-N 3.06Å; A76-L79 PolarHBondContact O-N 3.41Å; A76-D80 PolarHBondContact O-N 3.39Å; A76-D80 VanDerWaalsContact O-N 3.09Å
77E46.4Very low42.4Very low150 Ų150123.3 Ų123.370%0.70166%0.658SS**Hα-helixtrans-63.8-38.2176.8-50.2-113.2125.600111.4S75 L79 D80 Q81S75-E77 PolarHBondContact O-N 3.1Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.25Å; E77-D80 PolarHBondContact O-N 3.35Å; E77-Q81 PolarHBondContact O-N 3.3Å
78E50.2Low43.2Very low92 Ų92119.5 Ų119.543%0.4364%0.636SS.*Hα-helixtrans-71.8-25.2177.3-71.5166.799.400113.5S75 A76 R82S75-E78 WeakPolarHBondContact CB-OE2 3.27Å; S75-E78 PolarHBondContact N-OE2 2.89Å; S75-E78 PolarHBondContact O-N 3.26Å; S75-E78 VanDerWaalsContact O-N 3.09Å; S75-E78 WeakPolarHBondContact OG-CG 3.49Å; S75-E78 PolarHBondContact OG-OE2 3.34Å; A76-E78 PolarHBondContact O-N 3.06Å; E78-R82 PolarHBondContact O-N 2.75Å
79L50.9Low43.8Very low99 Ų99115.8 Ų115.852%0.51862%0.622SS.*Hα-helixtrans-73.5-44.1170-78.9166.7000110.9S75 A76 E77 Q81 R82 D83S75-L79 PolarHBondContact O-N 3.37Å; A76-L79 PolarHBondContact O-N 3.41Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.25Å; L79-Q81 VanDerWaalsContact C-N 3.31Å; L79-Q81 PolarHBondContact O-N 3.35Å; L79-R82 PolarHBondContact O-N 3.04Å; L79-D83 PolarHBondContact O-N 2.89Å
80D48.3Very low44.6Very low99 Ų99116.3 Ų116.353%0.52962%0.615SS.*Hα-helixtrans-65.8-34.9178.6-148.953000111.6A76 E77 R82 D83 Q84A76-D80 PolarHBondContact O-N 3.39Å; A76-D80 VanDerWaalsContact O-N 3.09Å; E77-D80 PolarHBondContact O-N 3.35Å; D80-R82 VanDerWaalsContact C-N 3.35Å; D80-R82 PolarHBondContact O-N 2.88Å; D80-D83 PolarHBondContact O-N 3.06Å; D80-Q84 VanDerWaalsContact O-CD 3.3Å; D80-Q84 WeakPolarHBondContact O-CG 3.38Å; D80-Q84 PolarHBondContact O-N 3.25Å; D80-Q84 VanDerWaalsContact O-N 3.08Å; D80-Q84 PolarHBondContact O-NE2 3.5Å; D80-Q84 PolarHBondContact OD2-NE2 3.23Å
81Q48.9Very low45.1Very low108 Ų108116.1 Ų116.151%0.50560%0.6SS.*Hα-helixtrans-59.3-40.2168.8-120.680.591.800113E77 L79 Q84 D85E77-Q81 PolarHBondContact O-N 3.3Å; L79-Q81 VanDerWaalsContact C-N 3.31Å; L79-Q81 PolarHBondContact O-N 3.35Å; Q81-Q84 WeakPolarHBondContact O-CB 3.43Å; Q81-Q84 PolarHBondContact O-N 2.59Å; Q81-D85 PolarHBondContact O-N 2.83Å
82R46.3Very low45.8Very low155 Ų155117.8 Ų117.859%0.58559%0.59SS**Hα-helixtrans-75.5-26.3179.5-83.6-179.653.8-143.6-17.9113.9E78 L79 D80E78-R82 PolarHBondContact O-N 2.75Å; L79-R82 PolarHBondContact O-N 3.04Å; D80-R82 VanDerWaalsContact C-N 3.35Å; D80-R82 PolarHBondContact O-N 2.88Å
83D47Very low46.4Very low92 Ų92113.5 Ų113.549%0.49257%0.572SS.*Hα-helixtrans-81.3-17.5172.7-90.724000112.4L79 D80 R87L79-D83 PolarHBondContact O-N 2.89Å; D80-D83 PolarHBondContact O-N 3.06Å; D83-R87 PolarHBondContact O-N 3.3Å
84Q43.8Very low47.4Very low91 Ų91111.8 Ų111.843%0.42556%0.559SS.*Hα-helixtrans-67.9-42.6166.1-68.7155.429.800111.1D80 Q81 Y86 R87 A88D80-Q84 VanDerWaalsContact O-CD 3.3Å; D80-Q84 WeakPolarHBondContact O-CG 3.38Å; D80-Q84 PolarHBondContact O-N 3.25Å; D80-Q84 VanDerWaalsContact O-N 3.08Å; D80-Q84 PolarHBondContact O-NE2 3.5Å; D80-Q84 PolarHBondContact OD2-NE2 3.23Å; Q81-Q84 WeakPolarHBondContact O-CB 3.43Å; Q81-Q84 PolarHBondContact O-N 2.59Å; Q84-Y86 PolarHBondContact O-N 3.37Å; Q84-R87 PolarHBondContact O-N 3.2Å; Q84-R87 VanDerWaalsContact O-N 3.08Å; Q84-A88 PolarHBondContact O-N 2.94Å; Q84-A88 VanDerWaalsContact O-N 3.1Å
85D48Very low48.7Very low123 Ų123114.1 Ų114.166%0.65856%0.56SS**Hα-helixtrans-56.2-38.2174.2-71.8-32000112.3Q81 A88Q81-D85 PolarHBondContact O-N 2.83Å; D85-A88 PolarHBondContact O-N 3.37Å
86Y42.3Very low50.1Low207 Ų207115.1 Ų115.181%0.81257%0.565SS**Hα-helixtrans-78.2-18.1179.7-127.5-88.1000114Q84Q84-Y86 PolarHBondContact O-N 3.37Å
87R47.9Very low51.7Low171 Ų171111.6 Ų111.665%0.64554%0.536SS*.Hα-helixtrans-80.9-34169.6-81.1-174.2170.987.1-6.9112.6D83 Q84 D89 L90D83-R87 PolarHBondContact O-N 3.3Å; Q84-R87 PolarHBondContact O-N 3.2Å; Q84-R87 VanDerWaalsContact O-N 3.08Å; R87-D89 PolarHBondContact O-N 3.26Å; R87-D89 VanDerWaalsContact O-N 3.1Å; R87-L90 PolarHBondContact O-N 3.04Å; R87-L90 VanDerWaalsContact O-N 3.14Å
88A42.8Very low53.6Low56 Ų56106.7 Ų106.746%0.46352%0.515SS..Hα-helixtrans-59-25.7-173.600000114.5Q84 D85 L90 D91Q84-A88 PolarHBondContact O-N 2.94Å; Q84-A88 VanDerWaalsContact O-N 3.1Å; D85-A88 PolarHBondContact O-N 3.37Å; A88-L90 VanDerWaalsContact C-N 3.26Å; A88-L90 PolarHBondContact O-N 2.81Å; A88-D91 PolarHBondContact O-N 3.36Å
89D42.4Very low55.4Low111 Ų111103.9 Ų103.959%0.59450%0.502SS*.Hα-helixtrans-70.5-19.2-179.4-133.312.7000113.2R87 Q92R87-D89 PolarHBondContact O-N 3.26Å; R87-D89 VanDerWaalsContact O-N 3.1Å; D89-Q92 PolarHBondContact OD1-NE2 3.41Å
90L48.2Very low57.2Low136 Ų13699.1 Ų99.171%0.71248%0.477SS*.Hα-helixtrans-73-36.1171.9-85.5159.5000112.3R87 A88 Q92 N93R87-L90 PolarHBondContact O-N 3.04Å; R87-L90 VanDerWaalsContact O-N 3.14Å; A88-L90 VanDerWaalsContact C-N 3.26Å; A88-L90 PolarHBondContact O-N 2.81Å; L90-Q92 PolarHBondContact O-N 3.46Å; L90-N93 PolarHBondContact O-ND2 2.9Å
91D46Very low59.2Low95 Ų9596.1 Ų96.151%0.50846%0.46SS..Hα-helixtrans-77.1-7.6-179.1-78.9-31.4000113.8A88 N93 Q94A88-D91 PolarHBondContact O-N 3.36Å; D91-N93 PolarHBondContact O-N 3.5Å; D91-N93 VanDerWaalsContact O-N 3.11Å; D91-Q94 WeakPolarHBondContact O-CB 3.44Å; D91-Q94 PolarHBondContact O-N 3Å; D91-Q94 PolarHBondContact OD1-NE2 3.18Å
92Q49.1Very low61.1Low104 Ų10491 Ų9149%0.48644%0.436SS..G310 helixtrans-59.1-26.5175.5-141.5169.2113.500112.4D89 L90 Q94D89-Q92 PolarHBondContact OD1-NE2 3.41Å; L90-Q92 PolarHBondContact O-N 3.46Å; Q92-Q94 VanDerWaalsContact C-N 3.3Å; Q92-Q94 PolarHBondContact O-N 3.12Å
93N50.3Low63Low87 Ų8789.2 Ų89.247%0.46543%0.43SS..G310 helixtrans-76.6-6.3173.9-62.5-71.7000114.5L90 D91 R95L90-N93 PolarHBondContact O-ND2 2.9Å; D91-N93 PolarHBondContact O-N 3.5Å; D91-N93 VanDerWaalsContact O-N 3.11Å; N93-R95 VanDerWaalsContact C-N 3.33Å
94Q57.3Low64.6Low129 Ų12990.8 Ų90.860%0.60344%0.435SS*.G310 helixtrans-83.5-6.3176.3-63.7-149.748.700113.5D91 Q92 P96 Y175D91-Q94 WeakPolarHBondContact O-CB 3.44Å; D91-Q94 PolarHBondContact O-N 3Å; D91-Q94 PolarHBondContact OD1-NE2 3.18Å; Q92-Q94 VanDerWaalsContact C-N 3.3Å; Q92-Q94 PolarHBondContact O-N 3.12Å; Q94-P96 VanDerWaalsContact O-CD 3.25Å; Q94-P96 WeakPolarHBondContact O-CD 3.3Å; Q94-Y175 WeakPolarHBondContact O-CE2 3.38Å
95R68.6Low66.5Low159 Ų15986.7 Ų86.760%0.642%0.417SS*.SBendtrans-56.4111.9177.5-74.9178.5167.8-174.9-2.3109.8N93 S97 Y175N93-R95 VanDerWaalsContact C-N 3.33Å; R95-S97 PolarHBondContact O-N 3.37Å; R95-Y175 WeakPolarHBondContact O-CB 3.02Å
96P77.3Confident67.9Low72 Ų7282 Ų8247%0.46839%0.393SS..  trans-64.1134-173.126-34.1000109.7Q94 I150 T154 Y175Q94-P96 VanDerWaalsContact O-CD 3.25Å; Q94-P96 WeakPolarHBondContact O-CD 3.3Å; P96-I150 HydrophobicContact CB-CD1 3.99Å; P96-I150 HydrophobicContact CB-CG1 4.07Å; P96-I150 HydrophobicContact CG-CD1 4.22Å; P96-I150 VanDerWaalsContact O-CD1 3.27Å; P96-I150 WeakPolarHBondContact O-CD1 3.31Å; P96-T154 WeakPolarHBondContact CB-OG1 3.48Å; P96-Y175 HydrophobicContact CB-CE1 4.18Å
97S82.8Confident69.3Low8 Ų877.9 Ų77.96%0.05638%0.382CS..  trans-138155.2-179.487.30000110.3R95 I99 A153 S176R95-S97 PolarHBondContact O-N 3.37Å; S97-I99 PolarHBondContact O-N 3.27Å; S97-I99 PolarHBondContact OG-N 3.49Å; S97-I99 PolarHBondContact OG-O 3.27Å; S97-A153 VanDerWaalsContact O-CB 3.23Å; S97-A153 WeakPolarHBondContact O-CB 3.3Å; S97-S176 WeakPolarHBondContact CB-O 3.39Å; S97-S176 PolarHBondContact OG-O 3.5Å
98N86.3Confident70.6Confident47 Ų4772.9 Ų72.925%0.25137%0.374SS..SBendtrans-77.57.4179.374.9-64.4000113.2E146 F147N98-E146 PolarHBondContact ND2-OE1 3.31Å; N98-E146 CarbonylContact O-C 3.53Å; N98-E146 WeakPolarHBondContact O-CA 3.2Å; N98-F147 PolarHBondContact O-N 2.99Å
99I88.5Confident72.2Confident32 Ų3270.2 Ų70.216%0.16435%0.351CS..EExtended strand (participates in β ladder)trans-134.4111.1-179.1-51.5171.5000109.5S97 F144 V145 E146 S176S97-I99 PolarHBondContact O-N 3.27Å; S97-I99 PolarHBondContact OG-N 3.49Å; S97-I99 PolarHBondContact OG-O 3.27Å; I99-F144 HydrophobicContact CG2-CB 4.22Å; I99-F144 HydrophobicContact CG2-CD1 4.2Å; I99-V145 CarbonylContact C-O 3.58Å; I99-V145 WeakPolarHBondContact CA-O 3.01Å; I99-E146 HydrophobicContact CG1-CB 4.09Å; I99-E146 HydrophobicContact CG1-CG 3.94Å; I99-S176 WeakPolarHBondContact CB-OG 3.13Å; I99-S176 WeakPolarHBondContact CG2-OG 3.43Å; I99-S176 PolarHBondContact O-N 3.45Å; I99-S176 PolarHBondContact O-OG 2.98Å
100I89.4Confident74.1Confident0 Ų067.1 Ų67.10%034%0.337CS..EExtended strand (participates in β ladder)trans-97.3132.6176.9-70.4170.8000109.9L102 F144 V145 F147 A153 W156 M157 M173 H174 Y175I100-L102 HydrophobicContact CG2-CD2 4.3Å; I100-F144 WeakPolarHBondContact O-CA 3.44Å; I100-V145 PolarHBondContact N-O 2.94Å; I100-V145 PolarHBondContact O-N 3.37Å; I100-F147 HydrophobicContact CB-CE2 4.19Å; I100-F147 HydrophobicContact CD1-CE2 4Å; I100-F147 HydrophobicContact CG1-CE2 4.26Å; I100-A153 HydrophobicContact CD1-CB 3.87Å; I100-A153 WeakPolarHBondContact CD1-O 3.27Å; I100-A153 HydrophobicContact CG1-CB 4.34Å; I100-W156 HydrophobicContact CB-CZ3 4.18Å; I100-W156 HydrophobicContact CD1-CE3 3.86Å; I100-W156 HydrophobicContact CD1-CZ3 4.38Å; I100-W156 HydrophobicContact CG2-CE3 4.32Å; I100-W156 HydrophobicContact CG2-CZ3 3.82Å; I100-M157 HydrophobicContact CD1-CB 4.04Å; I100-M173 HydrophobicContact CG2-CB 3.98Å; I100-M173 HydrophobicContact CG2-SD 4.44Å; I100-H174 CarbonylContact C-O 3.46Å; I100-H174 WeakPolarHBondContact CA-O 3.2Å; I100-H174 WeakPolarHBondContact CG2-O 3.48Å; I100-Y175 HydrophobicContact CD1-CD1 4.27Å; I100-Y175 HydrophobicContact CD1-CE1 4.2Å; I100-Y175 HydrophobicContact CG1-CD1 3.92Å; I100-Y175 HydrophobicContact CG1-CE1 4.36Å
101M89Confident75.7Confident36 Ų3661.9 Ų61.918%0.17731%0.313CS..EExtended strand (participates in β ladder)trans-91.8119.6172.7-175.6-168.8-5700109.2R103 A143 F144 H174M101-R103 HydrophobicContact CG-CG 4.22Å; M101-R103 HydrophobicContact SD-CG 4.01Å; M101-R103 PolarHBondContact SD-NE 3.41Å; M101-A143 WeakPolarHBondContact CA-O 3.31Å; M101-F144 HydrophobicContact CB-CD1 4.3Å; M101-F144 HydrophobicContact CB-CE1 4.2Å; M101-F144 HydrophobicContact CE-CE1 3.67Å; M101-F144 HydrophobicContact CE-CZ 3.96Å; M101-F144 HydrophobicContact CG-CD1 4.45Å; M101-F144 HydrophobicContact CG-CE1 4.07Å; M101-F144 HydrophobicContact CG-CZ 4.38Å; M101-H174 PolarHBondContact N-O 3.07Å; M101-H174 PolarHBondContact O-N 2.96Å
102L89.1Confident77.6Confident0 Ų062.9 Ų62.90%032%0.319CS..EExtended strand (participates in β ladder)trans-87.9131.3167.7-58.9-175.6000109.2I100 L105 I114 F142 A143 V145 W156 L164 V171 M173I100-L102 HydrophobicContact CG2-CD2 4.3Å; L102-L105 HydrophobicContact CB-CD1 3.86Å; L102-L105 HydrophobicContact CB-CG 4.25Å; L102-L105 HydrophobicContact CD1-CD1 4.38Å; L102-I114 HydrophobicContact CD1-CD1 4.34Å; L102-I114 HydrophobicContact CD1-CG1 4.4Å; L102-I114 HydrophobicContact CD1-CG2 3.8Å; L102-F142 CarbonylContact O-C 3.58Å; L102-F142 WeakPolarHBondContact O-CA 3.48Å; L102-F142 WeakPolarHBondContact O-CB 3.47Å; L102-A143 HydrophobicContact CB-CB 4.38Å; L102-A143 PolarHBondContact N-O 3.5Å; L102-A143 PolarHBondContact O-N 2.88Å; L102-V145 HydrophobicContact CD1-CG2 4.06Å; L102-V145 HydrophobicContact CG-CG2 4.27Å; L102-W156 HydrophobicContact CD1-CH2 4.24Å; L102-W156 HydrophobicContact CD2-CH2 3.83Å; L102-W156 HydrophobicContact CD2-CZ3 4.08Å; L102-W156 HydrophobicContact CG-CH2 4.42Å; L102-L164 HydrophobicContact CD1-CD1 4.28Å; L102-L164 HydrophobicContact CD2-CD1 3.72Å; L102-V171 HydrophobicContact CB-CG1 4.01Å; L102-V171 HydrophobicContact CD2-CG1 4.26Å; L102-M173 HydrophobicContact CD2-CB 4.28Å; L102-M173 HydrophobicContact CD2-CG 3.58Å; L102-M173 HydrophobicContact CD2-SD 4.02Å
103R86.4Confident79.3Confident117 Ų11760.7 Ų60.744%0.44231%0.308SS..EExtended strand (participates in β ladder)trans-123.3160.8173.6-62.1-174.8-178.6177.12.9109.8M101 L105 G141 V171 S172M101-R103 HydrophobicContact CG-CG 4.22Å; M101-R103 HydrophobicContact SD-CG 4.01Å; M101-R103 PolarHBondContact SD-NE 3.41Å; R103-L105 VanDerWaalsContact C-N 3.27Å; R103-L105 PolarHBondContact O-N 3.43Å; R103-G141 CarbonylContact C-O 3.51Å; R103-V171 CarbonylContact O-C 3.56Å; R103-V171 WeakPolarHBondContact O-CA 3.21Å; R103-V171 VanDerWaalsContact O-CG1 3.27Å; R103-V171 WeakPolarHBondContact O-CG1 3.16Å; R103-S172 PolarHBondContact N-O 2.89Å; R103-S172 PolarHBondContact O-N 2.87Å
104M82.1Confident81Confident125 Ų12556.6 Ų56.662%0.61629%0.286SS*.SBendtrans63.327.3-176.3-53.7-61.4-69.800114.2G141 Q169 R170M104-G141 PolarHBondContact N-O 3.45Å; M104-Q169 VanDerWaalsContact O-CG 3.3Å; M104-Q169 WeakPolarHBondContact O-CG 3.4Å; M104-R170 WeakPolarHBondContact CB-O 3.17Å
105L83.1Confident82.4Confident6 Ų656.7 Ų56.73%0.03128%0.281CS..  trans-65.5136.6169.2-77.2162.9000110.5L102 R103 A109 I114 L130 G141 A143 I166 V171L102-L105 HydrophobicContact CB-CD1 3.86Å; L102-L105 HydrophobicContact CB-CG 4.25Å; L102-L105 HydrophobicContact CD1-CD1 4.38Å; R103-L105 VanDerWaalsContact C-N 3.27Å; R103-L105 PolarHBondContact O-N 3.43Å; L105-A109 HydrophobicContact CB-CB 4.3Å; L105-A109 HydrophobicContact CD2-CB 4.26Å; L105-I114 HydrophobicContact CD1-CD1 3.82Å; L105-I114 HydrophobicContact CD2-CD1 4.03Å; L105-I114 HydrophobicContact CD2-CG1 4.17Å; L105-L130 HydrophobicContact CD1-CD1 4.14Å; L105-G141 PolarHBondContact N-O 3.34Å; L105-G141 WeakPolarHBondContact O-CA 3.38Å; L105-A143 HydrophobicContact CD1-CB 3.5Å; L105-A143 VanDerWaalsContact CD1-CB 3.5Å; L105-I166 HydrophobicContact CD2-CD1 3.97Å; L105-V171 HydrophobicContact CD2-CG1 3.97Å; L105-V171 HydrophobicContact CD2-CG2 3.86Å; L105-V171 HydrophobicContact CG-CG1 4.03Å; L105-V171 HydrophobicContact CG-CG2 4.36Å
106P76.3Confident83.2Confident24 Ų2451.9 Ų51.916%0.15628%0.275CS..  trans-65.3155177.224.8-29.9000111.4S108 A109 M167 Q169P106-S108 PolarHBondContact O-N 2.92Å; P106-A109 HydrophobicContact CG-CB 4.07Å; P106-A109 WeakPolarHBondContact O-CB 3.49Å; P106-A109 PolarHBondContact O-N 3.12Å; P106-M167 HydrophobicContact CG-CB 4.33Å; P106-Q169 HydrophobicContact CB-CB 4.12Å; P106-Q169 HydrophobicContact CB-CG 4.26Å; P106-Q169 HydrophobicContact CG-CB 3.91Å; P106-Q169 HydrophobicContact CG-CG 4.29Å
107M71.7Confident83.5Confident120 Ų12050.7 Ų50.759%0.59126%0.263SS*.THydrogen-bonded Turntrans-65.9-24.9-174.5-67.6-172.412700113.7A109 Q138M107-A109 VanDerWaalsContact C-N 3.31Å; M107-Q138 HydrophobicContact CB-CG 4.4Å; M107-Q138 HydrophobicContact CE-CG 4.15Å; M107-Q138 HydrophobicContact SD-CG 4.48Å; M107-Q138 PolarHBondContact SD-NE2 3.21Å; M107-Q138 VanDerWaalsContact SD-NE2 3.35Å
108S75.5Confident83.6Confident66 Ų6650.3 Ų50.346%0.46226%0.261SS..THydrogen-bonded Turntrans-66-30.8170.646.10000113P106 T110 M167P106-S108 PolarHBondContact O-N 2.92Å; S108-T110 PolarHBondContact O-N 3.33Å; S108-M167 PolarHBondContact OG-SD 3Å
109A76.5Confident83.5Confident0 Ų053.5 Ų53.50%027%0.274CS..  trans-51.2127.1-160.700000112.8L105 P106 M107 E113 L130 R132 S139L105-A109 HydrophobicContact CB-CB 4.3Å; L105-A109 HydrophobicContact CD2-CB 4.26Å; P106-A109 HydrophobicContact CG-CB 4.07Å; P106-A109 WeakPolarHBondContact O-CB 3.49Å; P106-A109 PolarHBondContact O-N 3.12Å; M107-A109 VanDerWaalsContact C-N 3.31Å; A109-E113 WeakPolarHBondContact CA-OE2 3.46Å; A109-L130 WeakPolarHBondContact O-CD2 3.41Å; A109-R132 PolarHBondContact O-NH2 3.48Å; A109-S139 PolarHBondContact O-OG 3.15Å
110T82.6Confident83.3Confident46 Ų4658.5 Ų58.528%0.28230%0.297SS..  trans-95160.8172.876.10000111.5S108 N112 E113S108-T110 PolarHBondContact O-N 3.33Å; T110-N112 PolarHBondContact O-N 3.28Å; T110-N112 PolarHBondContact OG1-N 2.93Å; T110-E113 WeakPolarHBondContact CB-OE1 3.46Å; T110-E113 WeakPolarHBondContact CG2-OE1 3.38Å; T110-E113 PolarHBondContact N-OE1 3.12Å; T110-E113 PolarHBondContact N-OE2 2.98Å; T110-E113 VanDerWaalsContact OG1-CD 3.22Å; T110-E113 PolarHBondContact OG1-N 2.54Å; T110-E113 PolarHBondContact OG1-OE1 3.19Å
111A82.8Confident82.8Confident26 Ų2662 Ų6222%0.21531%0.314CS..Hα-helixtrans-66.6-15.4170.800000112.3R115 V128 L130A111-R115 WeakPolarHBondContact O-CB 3.34Å; A111-R115 WeakPolarHBondContact O-CD 3.43Å; A111-R115 WeakPolarHBondContact O-CG 3.25Å; A111-R115 PolarHBondContact O-N 3.28Å; A111-R115 VanDerWaalsContact O-N 3.12Å; A111-V128 HydrophobicContact CB-CG1 4.34Å; A111-L130 HydrophobicContact CB-CB 4.25Å; A111-L130 HydrophobicContact CB-CD2 4.49Å
112N85.7Confident82.3Confident117 Ų11763 Ų6363%0.62633%0.332SS*.Hα-helixtrans-81.5-39.4-179-63.9-7000111.5T110 I114 R115 A116T110-N112 PolarHBondContact O-N 3.28Å; T110-N112 PolarHBondContact OG1-N 2.93Å; N112-I114 VanDerWaalsContact C-N 3.34Å; N112-R115 PolarHBondContact O-N 3.16Å; N112-A116 WeakPolarHBondContact O-CB 3.24Å; N112-A116 PolarHBondContact O-N 3.32Å
113E85Confident81.9Confident57 Ų5763.5 Ų63.527%0.26634%0.335SS..Hα-helixtrans-60.7-44.4171.1-66.9121.8-125.200111.2A109 T110 R115 A116 Q117 I166A109-E113 WeakPolarHBondContact CA-OE2 3.46Å; T110-E113 WeakPolarHBondContact CB-OE1 3.46Å; T110-E113 WeakPolarHBondContact CG2-OE1 3.38Å; T110-E113 PolarHBondContact N-OE1 3.12Å; T110-E113 PolarHBondContact N-OE2 2.98Å; T110-E113 VanDerWaalsContact OG1-CD 3.22Å; T110-E113 PolarHBondContact OG1-N 2.54Å; T110-E113 PolarHBondContact OG1-OE1 3.19Å; E113-R115 VanDerWaalsContact C-N 3.32Å; E113-R115 PolarHBondContact O-N 2.83Å; E113-A116 WeakPolarHBondContact O-CB 3.25Å; E113-A116 PolarHBondContact O-N 3.42Å; E113-A116 VanDerWaalsContact O-N 3.16Å; E113-Q117 PolarHBondContact O-N 2.75Å; E113-I166 HydrophobicContact CB-CG2 4.17Å
114I85.8Confident81.6Confident1 Ų164.3 Ų64.31%0.00534%0.344CS..Hα-helixtrans-59.5-45.9176.6-60168.9000109.8L102 L105 N112 A116 Q117 L118 V128 L130 A143 V145 I166L102-I114 HydrophobicContact CD1-CD1 4.34Å; L102-I114 HydrophobicContact CD1-CG1 4.4Å; L102-I114 HydrophobicContact CD1-CG2 3.8Å; L105-I114 HydrophobicContact CD1-CD1 3.82Å; L105-I114 HydrophobicContact CD2-CD1 4.03Å; L105-I114 HydrophobicContact CD2-CG1 4.17Å; N112-I114 VanDerWaalsContact C-N 3.34Å; I114-A116 PolarHBondContact O-N 3.27Å; I114-Q117 PolarHBondContact O-N 3.34Å; I114-L118 HydrophobicContact CG2-CD1 3.96Å; I114-L118 WeakPolarHBondContact O-CD1 3.47Å; I114-L118 PolarHBondContact O-N 3.17Å; I114-V128 HydrophobicContact CB-CG1 4.07Å; I114-V128 HydrophobicContact CG2-CG1 3.73Å; I114-L130 HydrophobicContact CD1-CD1 4.33Å; I114-A143 HydrophobicContact CD1-CB 3.92Å; I114-V145 HydrophobicContact CG2-CG2 4.09Å; I114-I166 HydrophobicContact CG1-CD1 4.27Å
115R85.3Confident81.8Confident132 Ų13260 Ų6050%0.49833%0.325SS..Hα-helixtrans-61.9-39.7175.1-75.1168.7-175.2-133.50.8112.8A111 N112 E113 L118 Q119 V128A111-R115 WeakPolarHBondContact O-CB 3.34Å; A111-R115 WeakPolarHBondContact O-CD 3.43Å; A111-R115 WeakPolarHBondContact O-CG 3.25Å; A111-R115 PolarHBondContact O-N 3.28Å; A111-R115 VanDerWaalsContact O-N 3.12Å; N112-R115 PolarHBondContact O-N 3.16Å; E113-R115 VanDerWaalsContact C-N 3.32Å; E113-R115 PolarHBondContact O-N 2.83Å; R115-L118 PolarHBondContact O-N 3.47Å; R115-Q119 VanDerWaalsContact O-CB 3.3Å; R115-Q119 WeakPolarHBondContact O-CB 3.38Å; R115-Q119 PolarHBondContact O-N 2.89Å; R115-V128 HydrophobicContact CG-CB 4.17Å; R115-V128 HydrophobicContact CG-CG1 4.49Å; R115-V128 HydrophobicContact CG-CG2 3.79Å
116A85.5Confident81.8Confident58 Ų5867.1 Ų67.148%0.47935%0.352SS..Hα-helixtrans-62.8-43.3176.700000111.3N112 E113 I114 L118 Q119 E120N112-A116 WeakPolarHBondContact O-CB 3.24Å; N112-A116 PolarHBondContact O-N 3.32Å; E113-A116 WeakPolarHBondContact O-CB 3.25Å; E113-A116 PolarHBondContact O-N 3.42Å; E113-A116 VanDerWaalsContact O-N 3.16Å; I114-A116 PolarHBondContact O-N 3.27Å; A116-L118 VanDerWaalsContact C-N 3.28Å; A116-L118 PolarHBondContact O-N 3.33Å; A116-Q119 PolarHBondContact O-N 2.93Å; A116-Q119 VanDerWaalsContact O-N 3.11Å; A116-E120 PolarHBondContact O-N 3.18Å
117Q83.4Confident82.1Confident46 Ų4670.2 Ų70.222%0.21536%0.364CS..Hα-helixtrans-65.4-28.6178.1-159.658.857.300113.3E113 I114 E120 Q121 L164E113-Q117 PolarHBondContact O-N 2.75Å; I114-Q117 PolarHBondContact O-N 3.34Å; Q117-E120 PolarHBondContact NE2-OE2 3.4Å; Q117-Q121 WeakPolarHBondContact O-CG 3.45Å; Q117-L164 HydrophobicContact CG-CD2 4.21Å
118L85.1Confident82.8Confident0 Ų065 Ų650%034%0.339CS..Hα-helixtrans-76.9-40.7169.3-85.492.3000112.5I114 R115 A116 E120 Q121 G122 I123 P125 V145 F147 W156I114-L118 HydrophobicContact CG2-CD1 3.96Å; I114-L118 WeakPolarHBondContact O-CD1 3.47Å; I114-L118 PolarHBondContact O-N 3.17Å; R115-L118 PolarHBondContact O-N 3.47Å; A116-L118 VanDerWaalsContact C-N 3.28Å; A116-L118 PolarHBondContact O-N 3.33Å; L118-E120 PolarHBondContact O-N 2.94Å; L118-Q121 CarbonylContact O-C 3.44Å; L118-Q121 PolarHBondContact O-N 3.05Å; L118-G122 PolarHBondContact O-N 3.39Å; L118-I123 CarbonylContact C-O 3.32Å; L118-I123 PolarHBondContact O-N 2.75Å; L118-P125 HydrophobicContact CD2-CB 3.71Å; L118-P125 HydrophobicContact CD2-CG 3.73Å; L118-V145 HydrophobicContact CD1-CG1 4.36Å; L118-V145 HydrophobicContact CD2-CG1 3.65Å; L118-F147 HydrophobicContact CD2-CE1 3.49Å; L118-F147 VanDerWaalsContact CD2-CE1 3.49Å; L118-F147 HydrophobicContact CD2-CZ 3.68Å; L118-W156 HydrophobicContact CD1-CH2 3.66Å; L118-W156 HydrophobicContact CD1-CZ2 3.22Å; L118-W156 HydrophobicContact CD2-CZ2 4.36Å; L118-W156 HydrophobicContact CG-CH2 4.27Å; L118-W156 HydrophobicContact CG-CZ2 3.62Å
119Q85Confident83.3Confident114 Ų11468.6 Ų68.653%0.53334%0.342SS..Hα-helixtrans-67.8-34.2-177.4-174.357.781.600112.6R115 A116 Q121 G122R115-Q119 VanDerWaalsContact O-CB 3.3Å; R115-Q119 WeakPolarHBondContact O-CB 3.38Å; R115-Q119 PolarHBondContact O-N 2.89Å; A116-Q119 PolarHBondContact O-N 2.93Å; A116-Q119 VanDerWaalsContact O-N 3.11Å; Q119-Q121 VanDerWaalsContact C-N 3.32Å; Q119-G122 PolarHBondContact O-N 3.11Å
120E84Confident83.8Confident138 Ų13869.7 Ų69.765%0.64535%0.348SS*.Hα-helixtrans-59.8-41.7170.8-178.6-177.3-121.600111.5A116 Q117 L118 G122A116-E120 PolarHBondContact O-N 3.18Å; Q117-E120 PolarHBondContact NE2-OE2 3.4Å; L118-E120 PolarHBondContact O-N 2.94Å; E120-G122 PolarHBondContact O-N 3.01Å
121Q78.6Confident83.7Confident74 Ų7470.3 Ų70.335%0.34635%0.348SS..THydrogen-bonded Turntrans-77.84.2175.8-57.4-59.3-50.900112.9Q117 L118 Q119 I123Q117-Q121 WeakPolarHBondContact O-CG 3.45Å; L118-Q121 CarbonylContact O-C 3.44Å; L118-Q121 PolarHBondContact O-N 3.05Å; Q119-Q121 VanDerWaalsContact C-N 3.32Å; Q121-I123 VanDerWaalsContact C-N 3.3Å; Q121-I123 PolarHBondContact O-N 3.06Å
122G78.3Confident83.8Confident55 Ų5574.1 Ų74.157%0.56736%0.357SS*.THydrogen-bonded Turntrans73.912.2178.500000115.3L118 Q119 E120L118-G122 PolarHBondContact O-N 3.39Å; Q119-G122 PolarHBondContact O-N 3.11Å; E120-G122 PolarHBondContact O-N 3.01Å
123I81.9Confident83.4Confident12 Ų1271.5 Ų71.56%0.06234%0.343CS..  trans-105.4128.7-173.5-55.2175.6000110.2L118 Q121 P125 F147 E152 W156L118-I123 CarbonylContact C-O 3.32Å; L118-I123 PolarHBondContact O-N 2.75Å; Q121-I123 VanDerWaalsContact C-N 3.3Å; Q121-I123 PolarHBondContact O-N 3.06Å; I123-P125 WeakPolarHBondContact O-CD 3.25Å; I123-F147 HydrophobicContact CG2-CD1 3.67Å; I123-F147 HydrophobicContact CG2-CE1 3.58Å; I123-E152 HydrophobicContact CG2-CB 3.91Å; I123-E152 HydrophobicContact CG2-CG 4.29Å; I123-W156 HydrophobicContact CD1-CB 3.74Å; I123-W156 HydrophobicContact CD1-CG 4.18Å
124Q80.1Confident82.9Confident133 Ų13379.1 Ų79.162%0.62138%0.376SS*.  trans-100.3107.3-179.7-71.317772.900110.6N148Q124-N148 PolarHBondContact O-ND2 3.44Å
125P84.9Confident82.1Confident35 Ų3584.2 Ų84.223%0.22741%0.411CS..  trans-70.5145.1176.129.2-34.2000111.5L118 I123 V128 V145 E146L118-P125 HydrophobicContact CD2-CB 3.71Å; L118-P125 HydrophobicContact CD2-CG 3.73Å; I123-P125 WeakPolarHBondContact O-CD 3.25Å; P125-V128 HydrophobicContact CB-CG2 3.73Å; P125-V128 HydrophobicContact CG-CG2 3.47Å; P125-V128 VanDerWaalsContact CG-CG2 3.47Å; P125-V145 HydrophobicContact CB-CG1 3.83Å; P125-E146 CarbonylContact C-O 3.58Å
126R83.8Confident81.5Confident156 Ų15681 Ų8159%0.58941%0.409SS*.SBendtrans-70.8-45.6172.6-168.3-164.3-170.3164.815.9112.1E146R126-E146 WeakPolarHBondContact CA-O 3.48Å; R126-E146 HydrophobicContact CB-CB 4.44Å; R126-E146 HydrophobicContact CB-CG 4.22Å; R126-E146 WeakPolarHBondContact CB-O 3.37Å; R126-E146 VanDerWaalsContact CD-OE1 3.25Å; R126-E146 WeakPolarHBondContact CD-OE1 3.35Å; R126-E146 IonicContact CZ-OE1 3.28Å; R126-E146 PolarHBondContact N-O 3.14Å; R126-E146 IonicContact NE-OE1 2.65Å; R126-E146 IonicContact NH1-OE1 3.39Å; R126-E146 PolarHBondContact NH1-OE1 3.02Å
127E82.1Confident80.8Confident88 Ų8880.1 Ų80.141%0.41141%0.405SS..EExtended strand (participates in β ladder)trans-143.3132.7174.4-171.1-178.6141.500109.8R129 V145 E146E127-R129 HydrophobicContact CG-CB 4.4Å; E127-R129 WeakPolarHBondContact OE1-CB 3.47Å; E127-R129 WeakPolarHBondContact OE1-CD 3.49Å; E127-R129 IonicContact OE1-NH1 2.62Å; E127-V145 WeakPolarHBondContact O-CA 3.44Å; E127-E146 HydrophobicContact CB-CB 4.32Å; E127-E146 PolarHBondContact N-O 3.42Å; E127-E146 PolarHBondContact O-N 3.24Å
128V86.9Confident80.3Confident12 Ų1282.2 Ų82.27%0.07342%0.415CS..EExtended strand (participates in β ladder)trans-112.2104.7168178.10000108.2A111 I114 R115 P125 V145A111-V128 HydrophobicContact CB-CG1 4.34Å; I114-V128 HydrophobicContact CB-CG1 4.07Å; I114-V128 HydrophobicContact CG2-CG1 3.73Å; R115-V128 HydrophobicContact CG-CB 4.17Å; R115-V128 HydrophobicContact CG-CG1 4.49Å; R115-V128 HydrophobicContact CG-CG2 3.79Å; P125-V128 HydrophobicContact CB-CG2 3.73Å; P125-V128 HydrophobicContact CG-CG2 3.47Å; P125-V128 VanDerWaalsContact CG-CG2 3.47Å; V128-V145 HydrophobicContact CG2-CG1 4.35Å
129R86Confident80Confident140 Ų14082.3 Ų82.353%0.52842%0.416SS..EExtended strand (participates in β ladder)trans-108.884.5-173.6-170.3-178.6179.4136.5-0.6111.2E127 M131 A143 F144E127-R129 HydrophobicContact CG-CB 4.4Å; E127-R129 WeakPolarHBondContact OE1-CB 3.47Å; E127-R129 WeakPolarHBondContact OE1-CD 3.49Å; E127-R129 IonicContact OE1-NH1 2.62Å; R129-M131 PolarHBondContact O-N 2.83Å; R129-A143 WeakPolarHBondContact O-CA 3.2Å; R129-F144 HydrophobicContact CB-CB 4.38Å; R129-F144 PolarHBondContact N-O 3.36Å; R129-F144 PolarHBondContact O-N 3.14Å
130L86.8Confident79.5Confident24 Ų2483.9 Ų83.913%0.12642%0.417CS..EExtended strand (participates in β ladder)trans-71.5122.8171.6176.562.9000110.5L105 A109 A111 I114 R132 A143L105-L130 HydrophobicContact CD1-CD1 4.14Å; A109-L130 WeakPolarHBondContact O-CD2 3.41Å; A111-L130 HydrophobicContact CB-CB 4.25Å; A111-L130 HydrophobicContact CB-CD2 4.49Å; I114-L130 HydrophobicContact CD1-CD1 4.33Å; L130-R132 HydrophobicContact CD2-CG 4.42Å; L130-R132 VanDerWaalsContact CD2-NE 3.3Å; L130-R132 HydrophobicContact CG-CG 4.3Å; L130-R132 PolarHBondContact O-N 3.31Å; L130-A143 HydrophobicContact CB-CB 4.35Å; L130-A143 HydrophobicContact CD1-CB 4.01Å
131M81.4Confident79.2Confident58 Ų5878.3 Ų78.329%0.28640%0.396SS..EExtended strand (participates in β ladder)trans-86.7106.8-178.6-163.771.468.400110.8R129 R140 F142 F144R129-M131 PolarHBondContact O-N 2.83Å; M131-R140 VanDerWaalsContact O-CB 3.31Å; M131-R140 WeakPolarHBondContact O-CB 3.4Å; M131-R140 WeakPolarHBondContact O-CG 3.37Å; M131-R140 PolarHBondContact O-N 2.9Å; M131-F142 HydrophobicContact CB-CD2 3.82Å; M131-F142 HydrophobicContact CB-CE2 3.4Å; M131-F142 VanDerWaalsContact CB-CE2 3.4Å; M131-F142 HydrophobicContact CB-CZ 3.93Å; M131-F142 HydrophobicContact CE-CE2 4.27Å; M131-F142 HydrophobicContact CG-CE2 3.63Å; M131-F142 HydrophobicContact CG-CZ 3.8Å; M131-F142 PolarHBondContact N-O 3.06Å; M131-F144 HydrophobicContact CE-CE2 4.37Å
132R84.6Confident79.6Confident106 Ų10677.4 Ų77.440%0.439%0.392SS..EExtended strand (participates in β ladder)trans-101.7150.2175.5-76.4169.9172.8-112.81.8111.5A109 L130 G137 Q138 S139A109-R132 PolarHBondContact O-NH2 3.48Å; L130-R132 HydrophobicContact CD2-CG 4.42Å; L130-R132 VanDerWaalsContact CD2-NE 3.3Å; L130-R132 HydrophobicContact CG-CG 4.3Å; L130-R132 PolarHBondContact O-N 3.31Å; R132-G137 VanDerWaalsContact CD-O 3.27Å; R132-G137 WeakPolarHBondContact CD-O 3.44Å; R132-G137 WeakPolarHBondContact CG-O 3.44Å; R132-G137 PolarHBondContact NH1-O 3.2Å; R132-Q138 CarbonylContact C-O 3.6Å; R132-Q138 VanDerWaalsContact CA-O 3.31Å; R132-Q138 WeakPolarHBondContact CA-O 3.49Å; R132-S139 PolarHBondContact NE-OG 2.99Å; R132-S139 PolarHBondContact NH2-OG 3.18Å
133N76.1Confident80.1Confident62 Ų6274.8 Ų74.833%0.33237%0.365SS..  trans-75.5128.2179-169.417.9000110.6S135 S136 G137 Q138 R140N133-S135 PolarHBondContact ND2-OG 3.17Å; N133-S135 PolarHBondContact O-N 3.09Å; N133-S136 PolarHBondContact O-N 2.88Å; N133-G137 PolarHBondContact O-N 3.47Å; N133-Q138 PolarHBondContact N-O 2.94Å; N133-R140 HydrophobicContact CB-CG 4.28Å
134K75.1Confident80.5Confident217 Ų21776.7 Ų76.794%0.94337%0.373SS*.THydrogen-bonded Turntrans-64.7-25.1-170.4-171.6175177.7-176.20113.6
135S69.2Low81Confident108 Ų10870.4 Ų70.476%0.75534%0.343SS*.THydrogen-bonded Turntrans-91-21.1179.851.50000115.1N133N133-S135 PolarHBondContact ND2-OG 3.17Å; N133-S135 PolarHBondContact O-N 3.09Å
136S73.2Confident81.2Confident65 Ų6570 Ų7046%0.45534%0.338SS..THydrogen-bonded Turntrans-127.5-3.8-174.666.40000115.2N133 Q138N133-S136 PolarHBondContact O-N 2.88Å; S136-Q138 PolarHBondContact O-N 3.28Å; S136-Q138 WeakPolarHBondContact OG-CB 3.2Å
137G70.8Confident81.4Confident39 Ų3962.6 Ų62.640%0.40231%0.31SS..  trans66.9-4.6-177.700000115.3R132 N133R132-G137 VanDerWaalsContact CD-O 3.27Å; R132-G137 WeakPolarHBondContact CD-O 3.44Å; R132-G137 WeakPolarHBondContact CG-O 3.44Å; R132-G137 PolarHBondContact NH1-O 3.2Å; N133-G137 PolarHBondContact O-N 3.47Å
138Q72.4Confident81.6Confident90 Ų9063 Ų6342%0.42132%0.315SS..  trans-76.3138.7-172.1-161.8174.126.600111.7M107 R132 N133 S136 R140M107-Q138 HydrophobicContact CB-CG 4.4Å; M107-Q138 HydrophobicContact CE-CG 4.15Å; M107-Q138 HydrophobicContact SD-CG 4.48Å; M107-Q138 PolarHBondContact SD-NE2 3.21Å; M107-Q138 VanDerWaalsContact SD-NE2 3.35Å; R132-Q138 CarbonylContact C-O 3.6Å; R132-Q138 VanDerWaalsContact CA-O 3.31Å; R132-Q138 WeakPolarHBondContact CA-O 3.49Å; N133-Q138 PolarHBondContact N-O 2.94Å; S136-Q138 PolarHBondContact O-N 3.28Å; S136-Q138 WeakPolarHBondContact OG-CB 3.2Å; Q138-R140 PolarHBondContact O-N 3.41Å
139S78.4Confident81.6Confident3 Ų366.8 Ų66.82%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-64.9129.7178.5-64.90000111A109 R132 G141A109-S139 PolarHBondContact O-OG 3.15Å; R132-S139 PolarHBondContact NE-OG 2.99Å; R132-S139 PolarHBondContact NH2-OG 3.18Å; S139-G141 PolarHBondContact O-N 3.3Å; S139-G141 VanDerWaalsContact O-N 3.1Å
140R74Confident81.7Confident147 Ų14764 Ų6456%0.55533%0.329SS*.EExtended strand (participates in β ladder)trans-79.218.2-177.7-66.2-177.159.1143.1-0.5114.1M131 N133 Q138 F142M131-R140 VanDerWaalsContact O-CB 3.31Å; M131-R140 WeakPolarHBondContact O-CB 3.4Å; M131-R140 WeakPolarHBondContact O-CG 3.37Å; M131-R140 PolarHBondContact O-N 2.9Å; N133-R140 HydrophobicContact CB-CG 4.28Å; Q138-R140 PolarHBondContact O-N 3.41Å; R140-F142 HydrophobicContact CB-CD1 4.03Å; R140-F142 HydrophobicContact CB-CE1 3.68Å; R140-F142 HydrophobicContact CB-CZ 4.25Å; R140-F142 WeakPolarHBondContact O-CD1 3.36Å; R140-F142 PolarHBondContact O-N 3.32Å
141G78.9Confident81.7Confident20 Ų2069.5 Ų69.521%0.20635%0.354CS..EExtended strand (participates in β ladder)trans72.16.3-175.600000115.7R103 M104 L105 S139R103-G141 CarbonylContact C-O 3.51Å; M104-G141 PolarHBondContact N-O 3.45Å; L105-G141 PolarHBondContact N-O 3.34Å; L105-G141 WeakPolarHBondContact O-CA 3.38Å; S139-G141 PolarHBondContact O-N 3.3Å; S139-G141 VanDerWaalsContact O-N 3.1Å
142F87Confident82.1Confident56 Ų5668.8 Ų68.825%0.24635%0.35CS..EExtended strand (participates in β ladder)trans-144.7152.8177.465.9-94.3000114.5L102 M131 R140 F144L102-F142 CarbonylContact O-C 3.58Å; L102-F142 WeakPolarHBondContact O-CA 3.48Å; L102-F142 WeakPolarHBondContact O-CB 3.47Å; M131-F142 HydrophobicContact CB-CD2 3.82Å; M131-F142 HydrophobicContact CB-CE2 3.4Å; M131-F142 VanDerWaalsContact CB-CE2 3.4Å; M131-F142 HydrophobicContact CB-CZ 3.93Å; M131-F142 HydrophobicContact CE-CE2 4.27Å; M131-F142 HydrophobicContact CG-CE2 3.63Å; M131-F142 HydrophobicContact CG-CZ 3.8Å; M131-F142 PolarHBondContact N-O 3.06Å; R140-F142 HydrophobicContact CB-CD1 4.03Å; R140-F142 HydrophobicContact CB-CE1 3.68Å; R140-F142 HydrophobicContact CB-CZ 4.25Å; R140-F142 WeakPolarHBondContact O-CD1 3.36Å; R140-F142 PolarHBondContact O-N 3.32Å; F142-F144 AromaticContact CD2-CE2 3.95Å; F142-F144 HydrophobicContact CD2-CE2 3.95Å; F142-F144 AromaticContact CE2-CE2 3.99Å; F142-F144 HydrophobicContact CE2-CE2 3.99Å
143A88.3Confident82.2Confident0 Ų063.8 Ų63.80%033%0.331CS..EExtended strand (participates in β ladder)trans-140.6161.8175.600000110.4M101 L102 L105 I114 R129 L130M101-A143 WeakPolarHBondContact CA-O 3.31Å; L102-A143 HydrophobicContact CB-CB 4.38Å; L102-A143 PolarHBondContact N-O 3.5Å; L102-A143 PolarHBondContact O-N 2.88Å; L105-A143 HydrophobicContact CD1-CB 3.5Å; L105-A143 VanDerWaalsContact CD1-CB 3.5Å; I114-A143 HydrophobicContact CD1-CB 3.92Å; R129-A143 WeakPolarHBondContact O-CA 3.2Å; L130-A143 HydrophobicContact CB-CB 4.35Å; L130-A143 HydrophobicContact CD1-CB 4.01Å
144F90.4Very high82.8Confident52 Ų5262.1 Ų62.123%0.22832%0.324CS..EExtended strand (participates in β ladder)trans-115.4140.5168.8-62.7-94.1000109.4I99 I100 M101 R129 M131 F142I99-F144 HydrophobicContact CG2-CB 4.22Å; I99-F144 HydrophobicContact CG2-CD1 4.2Å; I100-F144 WeakPolarHBondContact O-CA 3.44Å; M101-F144 HydrophobicContact CB-CD1 4.3Å; M101-F144 HydrophobicContact CB-CE1 4.2Å; M101-F144 HydrophobicContact CE-CE1 3.67Å; M101-F144 HydrophobicContact CE-CZ 3.96Å; M101-F144 HydrophobicContact CG-CD1 4.45Å; M101-F144 HydrophobicContact CG-CE1 4.07Å; M101-F144 HydrophobicContact CG-CZ 4.38Å; R129-F144 HydrophobicContact CB-CB 4.38Å; R129-F144 PolarHBondContact N-O 3.36Å; R129-F144 PolarHBondContact O-N 3.14Å; M131-F144 HydrophobicContact CE-CE2 4.37Å; F142-F144 AromaticContact CD2-CE2 3.95Å; F142-F144 HydrophobicContact CD2-CE2 3.95Å; F142-F144 AromaticContact CE2-CE2 3.99Å; F142-F144 HydrophobicContact CE2-CE2 3.99Å
145V90.3Very high83.3Confident0 Ų059.2 Ų59.20%031%0.307CS..EExtended strand (participates in β ladder)trans-124.8107177.6-177.20000107.6I99 I100 L102 I114 L118 P125 E127 V128 F147 W156I99-V145 CarbonylContact C-O 3.58Å; I99-V145 WeakPolarHBondContact CA-O 3.01Å; I100-V145 PolarHBondContact N-O 2.94Å; I100-V145 PolarHBondContact O-N 3.37Å; L102-V145 HydrophobicContact CD1-CG2 4.06Å; L102-V145 HydrophobicContact CG-CG2 4.27Å; I114-V145 HydrophobicContact CG2-CG2 4.09Å; L118-V145 HydrophobicContact CD1-CG1 4.36Å; L118-V145 HydrophobicContact CD2-CG1 3.65Å; P125-V145 HydrophobicContact CB-CG1 3.83Å; E127-V145 WeakPolarHBondContact O-CA 3.44Å; V128-V145 HydrophobicContact CG2-CG1 4.35Å; V145-F147 HydrophobicContact CB-CE2 4.06Å; V145-F147 HydrophobicContact CB-CZ 4.41Å; V145-F147 HydrophobicContact CG1-CD2 4.26Å; V145-F147 HydrophobicContact CG1-CE1 4.27Å; V145-F147 HydrophobicContact CG1-CE2 3.55Å; V145-F147 HydrophobicContact CG1-CZ 3.55Å; V145-W156 HydrophobicContact CB-CZ3 4.5Å; V145-W156 HydrophobicContact CG2-CH2 4.28Å
146E89.9Confident84.2Confident28 Ų2854.1 Ų54.113%0.13127%0.271CS..EExtended strand (participates in β ladder)trans-87.4130.7172-176.1167.3158.500109.5N98 I99 P125 R126 E127N98-E146 PolarHBondContact ND2-OE1 3.31Å; N98-E146 CarbonylContact O-C 3.53Å; N98-E146 WeakPolarHBondContact O-CA 3.2Å; I99-E146 HydrophobicContact CG1-CB 4.09Å; I99-E146 HydrophobicContact CG1-CG 3.94Å; P125-E146 CarbonylContact C-O 3.58Å; R126-E146 WeakPolarHBondContact CA-O 3.48Å; R126-E146 HydrophobicContact CB-CB 4.44Å; R126-E146 HydrophobicContact CB-CG 4.22Å; R126-E146 WeakPolarHBondContact CB-O 3.37Å; R126-E146 VanDerWaalsContact CD-OE1 3.25Å; R126-E146 WeakPolarHBondContact CD-OE1 3.35Å; R126-E146 IonicContact CZ-OE1 3.28Å; R126-E146 PolarHBondContact N-O 3.14Å; R126-E146 IonicContact NE-OE1 2.65Å; R126-E146 IonicContact NH1-OE1 3.39Å; R126-E146 PolarHBondContact NH1-OE1 3.02Å; E127-E146 HydrophobicContact CB-CB 4.32Å; E127-E146 PolarHBondContact N-O 3.42Å; E127-E146 PolarHBondContact O-N 3.24Å
147F88.6Confident84.8Confident0 Ų052.6 Ų52.60%026%0.257CS..  trans-100.9160.6175.7-65.7-91.5000110.8N98 I100 L118 I123 V145 L149 E152 A153 W156N98-F147 PolarHBondContact O-N 2.99Å; I100-F147 HydrophobicContact CB-CE2 4.19Å; I100-F147 HydrophobicContact CD1-CE2 4Å; I100-F147 HydrophobicContact CG1-CE2 4.26Å; L118-F147 HydrophobicContact CD2-CE1 3.49Å; L118-F147 VanDerWaalsContact CD2-CE1 3.49Å; L118-F147 HydrophobicContact CD2-CZ 3.68Å; I123-F147 HydrophobicContact CG2-CD1 3.67Å; I123-F147 HydrophobicContact CG2-CE1 3.58Å; V145-F147 HydrophobicContact CB-CE2 4.06Å; V145-F147 HydrophobicContact CB-CZ 4.41Å; V145-F147 HydrophobicContact CG1-CD2 4.26Å; V145-F147 HydrophobicContact CG1-CE1 4.27Å; V145-F147 HydrophobicContact CG1-CE2 3.55Å; V145-F147 HydrophobicContact CG1-CZ 3.55Å; F147-L149 WeakPolarHBondContact CB-O 3.38Å; F147-E152 HydrophobicContact CB-CB 4.22Å; F147-E152 HydrophobicContact CD1-CB 3.82Å; F147-E152 HydrophobicContact CG-CB 4.32Å; F147-A153 HydrophobicContact CB-CB 4.16Å; F147-A153 HydrophobicContact CD2-CB 3.47Å; F147-A153 VanDerWaalsContact CD2-CB 3.47Å; F147-A153 HydrophobicContact CE2-CB 4.02Å; F147-A153 HydrophobicContact CG-CB 3.83Å; F147-W156 HydrophobicContact CE1-CB 4.42Å; F147-W156 HydrophobicContact CE1-CD2 4.45Å; F147-W156 HydrophobicContact CE1-CE3 4.41Å; F147-W156 HydrophobicContact CE1-CG 4.5Å; F147-W156 AromaticContact CE2-CE3 3.96Å; F147-W156 HydrophobicContact CE2-CE3 3.96Å; F147-W156 HydrophobicContact CE2-CZ3 4.17Å; F147-W156 HydrophobicContact CZ-CB 4.32Å; F147-W156 AromaticContact CZ-CD2 3.8Å; F147-W156 HydrophobicContact CZ-CD2 3.8Å; F147-W156 AromaticContact CZ-CE3 3.38Å; F147-W156 HydrophobicContact CZ-CE3 3.38Å; F147-W156 HydrophobicContact CZ-CG 4.24Å; F147-W156 AromaticContact CZ-CZ3 3.77Å; F147-W156 HydrophobicContact CZ-CZ3 3.77Å
148N86.2Confident85.7Confident95 Ų9556.9 Ų56.951%0.50827%0.267SS..SBendtrans-75.9-36.6175.4-61.8-66.2000110.5Q124 E152Q124-N148 PolarHBondContact O-ND2 3.44Å; N148-E152 WeakPolarHBondContact CB-OE2 3.46Å; N148-E152 PolarHBondContact N-OE2 3.38Å
149L86.6Confident86.3Confident93 Ų9356.4 Ų56.449%0.48727%0.27SS..SBendtrans-121142.6177.1-59.5173000111.6F147 Q151 E152 A153F147-L149 WeakPolarHBondContact CB-O 3.38Å; L149-Q151 PolarHBondContact O-N 2.95Å; L149-E152 HydrophobicContact CB-CB 4.46Å; L149-E152 HydrophobicContact CB-CG 3.98Å; L149-E152 HydrophobicContact CD1-CG 4.48Å; L149-E152 PolarHBondContact N-OE2 3.2Å; L149-E152 WeakPolarHBondContact O-CB 3.35Å; L149-E152 PolarHBondContact O-N 2.82Å; L149-E152 VanDerWaalsContact O-N 3.14Å; L149-A153 PolarHBondContact O-N 2.93Å
150I86.8Confident86.6Confident81 Ų8157.6 Ų57.642%0.41528%0.276SS..Hα-helixtrans-56.8-33168-172.6167.2000112.2P96 A153 T154P96-I150 HydrophobicContact CB-CD1 3.99Å; P96-I150 HydrophobicContact CB-CG1 4.07Å; P96-I150 HydrophobicContact CG-CD1 4.22Å; P96-I150 VanDerWaalsContact O-CD1 3.27Å; P96-I150 WeakPolarHBondContact O-CD1 3.31Å; I150-A153 PolarHBondContact O-N 3.33Å; I150-T154 PolarHBondContact O-N 2.83Å; I150-T154 PolarHBondContact O-OG1 3.36Å
151Q88.4Confident86.9Confident139 Ų13958.8 Ų58.865%0.6529%0.288SS*.Hα-helixtrans-68.8-31.1177.7-67.8175.9-19.900113.2L149 R155L149-Q151 PolarHBondContact O-N 2.95Å; Q151-R155 VanDerWaalsContact O-CB 3.31Å; Q151-R155 WeakPolarHBondContact O-CB 3.33Å; Q151-R155 PolarHBondContact O-N 3.46Å
152E88.6Confident86.9Confident44 Ų4458.4 Ų58.421%0.20628%0.284CS..Hα-helixtrans-68.9-45.8173.3-68.4167.214700110.2I123 F147 N148 L149 R155 W156I123-E152 HydrophobicContact CG2-CB 3.91Å; I123-E152 HydrophobicContact CG2-CG 4.29Å; F147-E152 HydrophobicContact CB-CB 4.22Å; F147-E152 HydrophobicContact CD1-CB 3.82Å; F147-E152 HydrophobicContact CG-CB 4.32Å; N148-E152 WeakPolarHBondContact CB-OE2 3.46Å; N148-E152 PolarHBondContact N-OE2 3.38Å; L149-E152 HydrophobicContact CB-CB 4.46Å; L149-E152 HydrophobicContact CB-CG 3.98Å; L149-E152 HydrophobicContact CD1-CG 4.48Å; L149-E152 PolarHBondContact N-OE2 3.2Å; L149-E152 WeakPolarHBondContact O-CB 3.35Å; L149-E152 PolarHBondContact O-N 2.82Å; L149-E152 VanDerWaalsContact O-N 3.14Å; E152-R155 PolarHBondContact O-N 2.84Å; E152-W156 WeakPolarHBondContact O-CB 3.34Å; E152-W156 PolarHBondContact O-N 3.32Å
153A87.3Confident86.7Confident0 Ų057.4 Ų57.40%028%0.283CS..Hα-helixtrans-58.9-48.6175.900000111.2S97 I100 F147 L149 I150 W156 M157S97-A153 VanDerWaalsContact O-CB 3.23Å; S97-A153 WeakPolarHBondContact O-CB 3.3Å; I100-A153 HydrophobicContact CD1-CB 3.87Å; I100-A153 WeakPolarHBondContact CD1-O 3.27Å; I100-A153 HydrophobicContact CG1-CB 4.34Å; F147-A153 HydrophobicContact CB-CB 4.16Å; F147-A153 HydrophobicContact CD2-CB 3.47Å; F147-A153 VanDerWaalsContact CD2-CB 3.47Å; F147-A153 HydrophobicContact CE2-CB 4.02Å; F147-A153 HydrophobicContact CG-CB 3.83Å; L149-A153 PolarHBondContact O-N 2.93Å; I150-A153 PolarHBondContact O-N 3.33Å; A153-W156 PolarHBondContact O-N 2.9Å; A153-M157 WeakPolarHBondContact O-CB 3.49Å; A153-M157 PolarHBondContact O-N 2.94Å
154T87.8Confident86.5Confident28 Ų2857.5 Ų57.517%0.17228%0.283CS..Hα-helixtrans-63.9-47.8178.9-67.20000112.5P96 I150 W156 M157 E158 Y175P96-T154 WeakPolarHBondContact CB-OG1 3.48Å; I150-T154 PolarHBondContact O-N 2.83Å; I150-T154 PolarHBondContact O-OG1 3.36Å; T154-W156 VanDerWaalsContact C-N 3.29Å; T154-W156 PolarHBondContact O-N 2.8Å; T154-M157 WeakPolarHBondContact O-CB 3.31Å; T154-M157 PolarHBondContact O-N 2.98Å; T154-M157 VanDerWaalsContact O-N 3.15Å; T154-E158 HydrophobicContact CG2-CG 4.31Å; T154-E158 WeakPolarHBondContact CG2-OE1 3.37Å; T154-E158 WeakPolarHBondContact O-CB 3.3Å; T154-E158 VanDerWaalsContact O-CG 3.3Å; T154-E158 WeakPolarHBondContact O-CG 3.3Å; T154-E158 PolarHBondContact O-N 3.11Å; T154-Y175 WeakPolarHBondContact CA-OH 3.33Å; T154-Y175 WeakPolarHBondContact CB-OH 3.35Å; T154-Y175 PolarHBondContact OG1-OH 3.33Å
155R87.1Confident86.1Confident156 Ų15660.3 Ų60.359%0.58930%0.299SS*.Hα-helixtrans-55.9-45.4174.5-176.6-174.6-61.7166.82.1111.4Q151 E152 M157 E158 T159Q151-R155 VanDerWaalsContact O-CB 3.31Å; Q151-R155 WeakPolarHBondContact O-CB 3.33Å; Q151-R155 PolarHBondContact O-N 3.46Å; E152-R155 PolarHBondContact O-N 2.84Å; R155-M157 PolarHBondContact O-N 3.36Å; R155-E158 PolarHBondContact O-N 3.32Å; R155-T159 WeakPolarHBondContact O-CB 3.25Å; R155-T159 PolarHBondContact O-N 2.89Å; R155-T159 PolarHBondContact O-OG1 2.88Å
156W86.5Confident85.7Confident0 Ų060.6 Ų60.60%030%0.3CS..Hα-helixtrans-65.1-39.4179.6-168.462.4000112.6I100 L102 L118 I123 V145 F147 E152 A153 T154 N160 L164 M173I100-W156 HydrophobicContact CB-CZ3 4.18Å; I100-W156 HydrophobicContact CD1-CE3 3.86Å; I100-W156 HydrophobicContact CD1-CZ3 4.38Å; I100-W156 HydrophobicContact CG2-CE3 4.32Å; I100-W156 HydrophobicContact CG2-CZ3 3.82Å; L102-W156 HydrophobicContact CD1-CH2 4.24Å; L102-W156 HydrophobicContact CD2-CH2 3.83Å; L102-W156 HydrophobicContact CD2-CZ3 4.08Å; L102-W156 HydrophobicContact CG-CH2 4.42Å; L118-W156 HydrophobicContact CD1-CH2 3.66Å; L118-W156 HydrophobicContact CD1-CZ2 3.22Å; L118-W156 HydrophobicContact CD2-CZ2 4.36Å; L118-W156 HydrophobicContact CG-CH2 4.27Å; L118-W156 HydrophobicContact CG-CZ2 3.62Å; I123-W156 HydrophobicContact CD1-CB 3.74Å; I123-W156 HydrophobicContact CD1-CG 4.18Å; V145-W156 HydrophobicContact CB-CZ3 4.5Å; V145-W156 HydrophobicContact CG2-CH2 4.28Å; F147-W156 HydrophobicContact CE1-CB 4.42Å; F147-W156 HydrophobicContact CE1-CD2 4.45Å; F147-W156 HydrophobicContact CE1-CE3 4.41Å; F147-W156 HydrophobicContact CE1-CG 4.5Å; F147-W156 AromaticContact CE2-CE3 3.96Å; F147-W156 HydrophobicContact CE2-CE3 3.96Å; F147-W156 HydrophobicContact CE2-CZ3 4.17Å; F147-W156 HydrophobicContact CZ-CB 4.32Å; F147-W156 AromaticContact CZ-CD2 3.8Å; F147-W156 HydrophobicContact CZ-CD2 3.8Å; F147-W156 AromaticContact CZ-CE3 3.38Å; F147-W156 HydrophobicContact CZ-CE3 3.38Å; F147-W156 HydrophobicContact CZ-CG 4.24Å; F147-W156 AromaticContact CZ-CZ3 3.77Å; F147-W156 HydrophobicContact CZ-CZ3 3.77Å; E152-W156 WeakPolarHBondContact O-CB 3.34Å; E152-W156 PolarHBondContact O-N 3.32Å; A153-W156 PolarHBondContact O-N 2.9Å; T154-W156 VanDerWaalsContact C-N 3.29Å; T154-W156 PolarHBondContact O-N 2.8Å; W156-N160 PolarHBondContact O-N 3.36Å; W156-N160 PolarHBondContact O-ND2 3.46Å; W156-L164 HydrophobicContact CH2-CD1 3.6Å; W156-L164 HydrophobicContact CZ2-CD1 3.42Å; W156-L164 VanDerWaalsContact CZ2-CD1 3.42Å; W156-L164 HydrophobicContact CZ2-CD2 4.13Å; W156-L164 HydrophobicContact CZ2-CG 4.36Å; W156-M173 HydrophobicContact CD2-SD 4.18Å; W156-M173 HydrophobicContact CE3-SD 3.71Å; W156-M173 HydrophobicContact CH2-SD 3.98Å; W156-M173 HydrophobicContact CZ2-SD 4.33Å; W156-M173 HydrophobicContact CZ3-SD 3.63Å
157M87.5Confident84.7Confident34 Ų3464.6 Ų64.617%0.16732%0.32CS..Hα-helixtrans-60.9-43.5174.5-172.369-174.200111.9I100 A153 T154 R155 Q161 G162 M173 Y175I100-M157 HydrophobicContact CD1-CB 4.04Å; A153-M157 WeakPolarHBondContact O-CB 3.49Å; A153-M157 PolarHBondContact O-N 2.94Å; T154-M157 WeakPolarHBondContact O-CB 3.31Å; T154-M157 PolarHBondContact O-N 2.98Å; T154-M157 VanDerWaalsContact O-N 3.15Å; R155-M157 PolarHBondContact O-N 3.36Å; M157-Q161 PolarHBondContact O-N 3.34Å; M157-Q161 VanDerWaalsContact O-N 3.12Å; M157-G162 PolarHBondContact O-N 3.39Å; M157-M173 HydrophobicContact CE-CB 4.4Å; M157-M173 HydrophobicContact SD-CB 3.7Å; M157-M173 HydrophobicContact SD-CE 3.98Å; M157-Y175 HydrophobicContact CB-CE1 4.25Å; M157-Y175 HydrophobicContact CG-CE1 4.35Å; M157-Y175 HydrophobicContact CG-CE2 4Å
158E87.8Confident84.1Confident128 Ų12873.5 Ų73.560%0.59836%0.361SS*.Hα-helixtrans-72.1-52.3-179.8-70.8166.8170.100112.5T154 R155 N160 Q161T154-E158 HydrophobicContact CG2-CG 4.31Å; T154-E158 WeakPolarHBondContact CG2-OE1 3.37Å; T154-E158 WeakPolarHBondContact O-CB 3.3Å; T154-E158 VanDerWaalsContact O-CG 3.3Å; T154-E158 WeakPolarHBondContact O-CG 3.3Å; T154-E158 PolarHBondContact O-N 3.11Å; R155-E158 PolarHBondContact O-N 3.32Å; E158-N160 PolarHBondContact O-N 3.33Å; E158-N160 VanDerWaalsContact O-N 3.14Å; E158-Q161 PolarHBondContact O-N 2.79Å
159T86.3Confident83.7Confident80 Ų8072.7 Ų72.749%0.49136%0.355SS..Hα-helixtrans-54.5-35.7-179.7-64.70000112.1R155R155-T159 WeakPolarHBondContact O-CB 3.25Å; R155-T159 PolarHBondContact O-N 2.89Å; R155-T159 PolarHBondContact O-OG1 2.88Å
160N84.1Confident83.6Confident29 Ų2975.6 Ų75.616%0.15536%0.359CS..THydrogen-bonded Turntrans-101.87.7-179.8-58.2-86.2000112.7W156 E158 G162 T163 L164 M173W156-N160 PolarHBondContact O-N 3.36Å; W156-N160 PolarHBondContact O-ND2 3.46Å; E158-N160 PolarHBondContact O-N 3.33Å; E158-N160 VanDerWaalsContact O-N 3.14Å; N160-G162 VanDerWaalsContact C-N 3.27Å; N160-G162 PolarHBondContact O-N 3.31Å; N160-G162 VanDerWaalsContact O-N 3.13Å; N160-T163 CarbonylContact O-C 3.56Å; N160-T163 WeakPolarHBondContact O-CA 3.21Å; N160-T163 PolarHBondContact O-N 2.93Å; N160-L164 HydrophobicContact CB-CD2 3.8Å; N160-L164 VanDerWaalsContact CG-CD2 3.46Å; N160-L164 WeakPolarHBondContact OD1-CD2 3.31Å; N160-M173 HydrophobicContact CB-CE 3.63Å
161Q80.3Confident83.7Confident171 Ų17171.7 Ų71.780%0.79934%0.339SS*.THydrogen-bonded Turntrans48.345.1176-55.5177.83500113.6M157 E158 T163M157-Q161 PolarHBondContact O-N 3.34Å; M157-Q161 VanDerWaalsContact O-N 3.12Å; E158-Q161 PolarHBondContact O-N 2.79Å; Q161-T163 PolarHBondContact O-N 3.33Å; Q161-T163 VanDerWaalsContact O-N 3.14Å; Q161-T163 PolarHBondContact O-OG1 3.3Å
162G78.5Confident83.6Confident12 Ų1266.8 Ų66.812%0.12432%0.32CS..THydrogen-bonded Turntrans64.812.3-176.600000115.7M157 N160 M173M157-G162 PolarHBondContact O-N 3.39Å; N160-G162 VanDerWaalsContact C-N 3.27Å; N160-G162 PolarHBondContact O-N 3.31Å; N160-G162 VanDerWaalsContact O-N 3.13Å; G162-M173 PolarHBondContact O-N 2.83Å
163T83.8Confident83.6Confident36 Ų3664.9 Ų64.922%0.22131%0.311CS..EExtended strand (participates in β ladder)trans-139.9119.1-170.5-58.60000112.1N160 Q161 R170 V171N160-T163 CarbonylContact O-C 3.56Å; N160-T163 WeakPolarHBondContact O-CA 3.21Å; N160-T163 PolarHBondContact O-N 2.93Å; Q161-T163 PolarHBondContact O-N 3.33Å; Q161-T163 VanDerWaalsContact O-N 3.14Å; Q161-T163 PolarHBondContact O-OG1 3.3Å; T163-R170 HydrophobicContact CG2-CG 3.55Å; T163-R170 PolarHBondContact OG1-NH2 3.49Å; T163-V171 CarbonylContact C-O 3.53Å; T163-V171 WeakPolarHBondContact CA-O 3.38Å
164L84.6Confident83.6Confident2 Ų267.5 Ų67.51%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-103.8153.7168.1-62.4165.1000110.6L102 Q117 W156 N160 I166 V171 M173L102-L164 HydrophobicContact CD1-CD1 4.28Å; L102-L164 HydrophobicContact CD2-CD1 3.72Å; Q117-L164 HydrophobicContact CG-CD2 4.21Å; W156-L164 HydrophobicContact CH2-CD1 3.6Å; W156-L164 HydrophobicContact CZ2-CD1 3.42Å; W156-L164 VanDerWaalsContact CZ2-CD1 3.42Å; W156-L164 HydrophobicContact CZ2-CD2 4.13Å; W156-L164 HydrophobicContact CZ2-CG 4.36Å; N160-L164 HydrophobicContact CB-CD2 3.8Å; N160-L164 VanDerWaalsContact CG-CD2 3.46Å; N160-L164 WeakPolarHBondContact OD1-CD2 3.31Å; L164-I166 HydrophobicContact CB-CD1 4.32Å; L164-I166 HydrophobicContact CB-CG1 4.18Å; L164-I166 HydrophobicContact CD1-CD1 4.24Å; L164-V171 HydrophobicContact CB-CB 4.13Å; L164-V171 PolarHBondContact N-O 3.25Å; L164-V171 PolarHBondContact O-N 2.82Å; L164-M173 HydrophobicContact CD1-CG 4.11Å; L164-M173 HydrophobicContact CD1-SD 3.64Å; L164-M173 HydrophobicContact CD2-SD 4.2Å; L164-M173 HydrophobicContact CG-CE 4.47Å; L164-M173 HydrophobicContact CG-CG 4.08Å; L164-M173 HydrophobicContact CG-SD 3.64Å
165M81.7Confident83.5Confident111 Ų11167.3 Ų67.355%0.54732%0.32SS..EExtended strand (participates in β ladder)trans-107.8118164.7-65.3-61.5-69.300107.8E168 R170M165-E168 WeakPolarHBondContact CE-O 3.37Å; M165-R170 HydrophobicContact SD-CB 3.92Å; M165-R170 HydrophobicContact SD-CG 4.17Å
166I80.9Confident83Confident6 Ų660.5 Ų60.53%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-133.7119-179.5-58.4-177.8000108.1L105 E113 I114 L164 E168 Q169 V171L105-I166 HydrophobicContact CD2-CD1 3.97Å; E113-I166 HydrophobicContact CB-CG2 4.17Å; I114-I166 HydrophobicContact CG1-CD1 4.27Å; L164-I166 HydrophobicContact CB-CD1 4.32Å; L164-I166 HydrophobicContact CB-CG1 4.18Å; L164-I166 HydrophobicContact CD1-CD1 4.24Å; I166-E168 VanDerWaalsContact C-N 3.34Å; I166-E168 PolarHBondContact O-N 2.79Å; I166-Q169 PolarHBondContact N-O 2.85Å; I166-Q169 WeakPolarHBondContact O-CB 3.2Å; I166-Q169 PolarHBondContact O-N 2.86Å; I166-Q169 VanDerWaalsContact O-N 3.16Å; I166-V171 HydrophobicContact CB-CG2 4.05Å; I166-V171 HydrophobicContact CD1-CG2 4.29Å; I166-V171 HydrophobicContact CG1-CG2 4.18Å
167M70.1Confident82Confident112 Ų11266.1 Ų66.155%0.55233%0.326SS*.THydrogen-bonded Turntrans50.150.8-171.2-55.7-174.176.800112.4P106 S108 Q169P106-M167 HydrophobicContact CG-CB 4.33Å; S108-M167 PolarHBondContact OG-SD 3Å; M167-Q169 PolarHBondContact O-N 2.99Å
168E74.4Confident80.7Confident186 Ų18668.6 Ų68.687%0.86935%0.345SS*.THydrogen-bonded Turntrans61.7-9.2-176.5-54.2-177.5142.100115.9M165 I166M165-E168 WeakPolarHBondContact CE-O 3.37Å; I166-E168 VanDerWaalsContact C-N 3.34Å; I166-E168 PolarHBondContact O-N 2.79Å
169Q78.9Confident79.3Confident79 Ų7971 Ų7137%0.36935%0.353SS..EExtended strand (participates in β ladder)trans-81.8132.1176178.458.359.800111.2M104 P106 I166 M167 V171M104-Q169 VanDerWaalsContact O-CG 3.3Å; M104-Q169 WeakPolarHBondContact O-CG 3.4Å; P106-Q169 HydrophobicContact CB-CB 4.12Å; P106-Q169 HydrophobicContact CB-CG 4.26Å; P106-Q169 HydrophobicContact CG-CB 3.91Å; P106-Q169 HydrophobicContact CG-CG 4.29Å; I166-Q169 PolarHBondContact N-O 2.85Å; I166-Q169 WeakPolarHBondContact O-CB 3.2Å; I166-Q169 PolarHBondContact O-N 2.86Å; I166-Q169 VanDerWaalsContact O-N 3.16Å; M167-Q169 PolarHBondContact O-N 2.99Å; Q169-V171 PolarHBondContact O-N 3.33Å
170R84.7Confident77.5Confident153 Ų15372 Ų7258%0.57736%0.361SS*.EExtended strand (participates in β ladder)trans-71.6118.5169.4-168.2-175.7177.8-150.6-3.9110.3M104 T163 M165M104-R170 WeakPolarHBondContact CB-O 3.17Å; T163-R170 HydrophobicContact CG2-CG 3.55Å; T163-R170 PolarHBondContact OG1-NH2 3.49Å; M165-R170 HydrophobicContact SD-CB 3.92Å; M165-R170 HydrophobicContact SD-CG 4.17Å
171V87.8Confident76.1Confident0 Ų079.1 Ų79.10%039%0.386CS..EExtended strand (participates in β ladder)trans-107.5127.9179.1176.90000108.4L102 R103 L105 T163 L164 I166 Q169L102-V171 HydrophobicContact CB-CG1 4.01Å; L102-V171 HydrophobicContact CD2-CG1 4.26Å; R103-V171 CarbonylContact O-C 3.56Å; R103-V171 WeakPolarHBondContact O-CA 3.21Å; R103-V171 VanDerWaalsContact O-CG1 3.27Å; R103-V171 WeakPolarHBondContact O-CG1 3.16Å; L105-V171 HydrophobicContact CD2-CG1 3.97Å; L105-V171 HydrophobicContact CD2-CG2 3.86Å; L105-V171 HydrophobicContact CG-CG1 4.03Å; L105-V171 HydrophobicContact CG-CG2 4.36Å; T163-V171 CarbonylContact C-O 3.53Å; T163-V171 WeakPolarHBondContact CA-O 3.38Å; L164-V171 HydrophobicContact CB-CB 4.13Å; L164-V171 PolarHBondContact N-O 3.25Å; L164-V171 PolarHBondContact O-N 2.82Å; I166-V171 HydrophobicContact CB-CG2 4.05Å; I166-V171 HydrophobicContact CD1-CG2 4.29Å; I166-V171 HydrophobicContact CG1-CG2 4.18Å; Q169-V171 PolarHBondContact O-N 3.33Å
172S86.6Confident74.5Confident36 Ų3674.7 Ų74.725%0.25238%0.379SS..EExtended strand (participates in β ladder)trans-93.4134.5178.1-174.70000110.5R103 H174R103-S172 PolarHBondContact N-O 2.89Å; R103-S172 PolarHBondContact O-N 2.87Å; S172-H174 PolarHBondContact OG-NE2 3.27Å
173M88.7Confident73.1Confident3 Ų380.8 Ų80.82%0.01541%0.408CS..EExtended strand (participates in β ladder)trans-103.1144.8175.6-51.5-161.3-69.700110.5I100 L102 W156 M157 N160 G162 L164I100-M173 HydrophobicContact CG2-CB 3.98Å; I100-M173 HydrophobicContact CG2-SD 4.44Å; L102-M173 HydrophobicContact CD2-CB 4.28Å; L102-M173 HydrophobicContact CD2-CG 3.58Å; L102-M173 HydrophobicContact CD2-SD 4.02Å; W156-M173 HydrophobicContact CD2-SD 4.18Å; W156-M173 HydrophobicContact CE3-SD 3.71Å; W156-M173 HydrophobicContact CH2-SD 3.98Å; W156-M173 HydrophobicContact CZ2-SD 4.33Å; W156-M173 HydrophobicContact CZ3-SD 3.63Å; M157-M173 HydrophobicContact CE-CB 4.4Å; M157-M173 HydrophobicContact SD-CB 3.7Å; M157-M173 HydrophobicContact SD-CE 3.98Å; N160-M173 HydrophobicContact CB-CE 3.63Å; G162-M173 PolarHBondContact O-N 2.83Å; L164-M173 HydrophobicContact CD1-CG 4.11Å; L164-M173 HydrophobicContact CD1-SD 3.64Å; L164-M173 HydrophobicContact CD2-SD 4.2Å; L164-M173 HydrophobicContact CG-CE 4.47Å; L164-M173 HydrophobicContact CG-CG 4.08Å; L164-M173 HydrophobicContact CG-SD 3.64Å
174H86.6Confident71.7Confident56 Ų5683.7 Ų83.726%0.25942%0.419SS..EExtended strand (participates in β ladder)trans-141.8145.6167.4-52-80.6000109I100 M101 S172 S176I100-H174 CarbonylContact C-O 3.46Å; I100-H174 WeakPolarHBondContact CA-O 3.2Å; I100-H174 WeakPolarHBondContact CG2-O 3.48Å; M101-H174 PolarHBondContact N-O 3.07Å; M101-H174 PolarHBondContact O-N 2.96Å; S172-H174 PolarHBondContact OG-NE2 3.27Å; H174-S176 PolarHBondContact O-N 3.31Å
175Y86.1Confident71.2Confident24 Ų2485.6 Ų85.69%0.09443%0.43CS..EExtended strand (participates in β ladder)trans-58136.5159.7-61.4-69.9000108.4Q94 R95 P96 I100 T154 M157Q94-Y175 WeakPolarHBondContact O-CE2 3.38Å; R95-Y175 WeakPolarHBondContact O-CB 3.02Å; P96-Y175 HydrophobicContact CB-CE1 4.18Å; I100-Y175 HydrophobicContact CD1-CD1 4.27Å; I100-Y175 HydrophobicContact CD1-CE1 4.2Å; I100-Y175 HydrophobicContact CG1-CD1 3.92Å; I100-Y175 HydrophobicContact CG1-CE1 4.36Å; T154-Y175 WeakPolarHBondContact CA-OH 3.33Å; T154-Y175 WeakPolarHBondContact CB-OH 3.35Å; T154-Y175 PolarHBondContact OG1-OH 3.33Å; M157-Y175 HydrophobicContact CB-CE1 4.25Å; M157-Y175 HydrophobicContact CG-CE1 4.35Å; M157-Y175 HydrophobicContact CG-CE2 4Å
176S76.3Confident71.2Confident12 Ų1281.4 Ų81.48%0.08441%0.408CS..PPolyproline II helixtrans-97.3139.9168.963.90000109.6S97 I99 H174S97-S176 WeakPolarHBondContact CB-O 3.39Å; S97-S176 PolarHBondContact OG-O 3.5Å; I99-S176 WeakPolarHBondContact CB-OG 3.13Å; I99-S176 WeakPolarHBondContact CG2-OG 3.43Å; I99-S176 PolarHBondContact O-N 3.45Å; I99-S176 PolarHBondContact O-OG 2.98Å; H174-S176 PolarHBondContact O-N 3.31Å
177D67.2Low71.2Confident119 Ų11986.6 Ų86.664%0.63644%0.435SS*.PPolyproline II helixtrans-52.5134.7170.4-70.2-68.1000109.9K179D177-K179 VanDerWaalsContact C-N 3.25Å; D177-K179 PolarHBondContact O-N 3.37Å
178P60.2Low71.7Confident86 Ų8681.3 Ų81.356%0.55841%0.409SS*.  trans-65.491.9174.527.8-33.7000108.6P180P178-P180 VanDerWaalsContact O-N 3.14Å
179K56.8Low71.8Confident178 Ų17876.6 Ų76.677%0.77439%0.39SS*.  trans-47.1119.5-175.3-158.2174.2-164.1170.70109D177 R181D177-K179 VanDerWaalsContact C-N 3.25Å; D177-K179 PolarHBondContact O-N 3.37Å; K179-R181 PolarHBondContact O-N 3.32Å
180P50.2Low71.6Confident100 Ų10078.9 Ų78.965%0.64940%0.399SS*.  trans-57.2115.9-174.720.8-31.7000108.4P178P178-P180 VanDerWaalsContact O-N 3.14Å
181R52.7Low71.5Confident179 Ų17973.2 Ų73.268%0.67538%0.382SS*.  trans-61.1153177.8-64.4-177.8178.1-170.9-3.1107.7K179 N183K179-R181 PolarHBondContact O-N 3.32Å; R181-N183 PolarHBondContact O-N 2.88Å
182A47.2Very low71Confident79 Ų7976 Ų7665%0.65341%0.41SS*.SBendtrans-70.431.9-176.300000114.6
183N49.2Very low70.8Confident140 Ų14075.8 Ų75.875%0.74941%0.407SS*.  trans-10323179.4-60.5-7.2000111.2R181R181-N183 PolarHBondContact O-N 2.88Å
184E55.3Low70.6Confident97 Ų9781 Ų8145%0.45343%0.431SS..  trans-92.8-1.7170.1-55.2-153.2116.100112.7K197E184-K197 HydrophobicContact CB-CB 4.16Å; E184-K197 HydrophobicContact CB-CD 3.85Å; E184-K197 HydrophobicContact CB-CG 4.12Å; E184-K197 VanDerWaalsContact O-CB 3.26Å; E184-K197 WeakPolarHBondContact O-CB 3.4Å; E184-K197 WeakPolarHBondContact O-CG 3.46Å; E184-K197 WeakPolarHBondContact OE1-CE 3.48Å; E184-K197 IonicContact OE1-NZ 2.61Å; E184-K197 PolarHBondContact OE1-NZ 2.91Å; E184-K197 WeakPolarHBondContact OE2-CD 3.31Å; E184-K197 WeakPolarHBondContact OE2-CE 3.35Å; E184-K197 IonicContact OE2-NZ 3.47Å; E184-K197 PolarHBondContact OE2-NZ 3.44Å
185D74.1Confident70.3Confident42 Ų4278.3 Ų78.323%0.22542%0.419CS..  trans-86.1130.6177.9-69.6-5.4000110.4Q194 N195 F196 K197D185-Q194 HydrophobicContact CB-CG 3.7Å; D185-N195 CarbonylContact C-O 3.55Å; D185-N195 VanDerWaalsContact CA-O 3.26Å; D185-N195 WeakPolarHBondContact CA-O 3.31Å; D185-N195 WeakPolarHBondContact CB-O 3.3Å; D185-F196 VanDerWaalsContact OD1-CA 3.24Å; D185-F196 WeakPolarHBondContact OD1-CA 3.47Å; D185-F196 WeakPolarHBondContact OD2-CD1 3.35Å; D185-K197 PolarHBondContact OD1-N 3.48Å; D185-K197 VanDerWaalsContact OD1-N 3.08Å
186W80.4Confident70Confident22 Ų2282.6 Ų82.68%0.08344%0.439CS..EExtended strand (participates in β ladder)trans-97.9158-173.564.1-85.7000112.1C188 Q194 N195 R199 C202 K209 A212W186-C188 HydrophobicContact CE3-CB 4.41Å; W186-C188 HydrophobicContact CH2-CB 4.29Å; W186-C188 HydrophobicContact CZ3-CB 3.61Å; W186-Q194 CarbonylContact O-C 3.51Å; W186-N195 HydrophobicContact CD2-CB 4.36Å; W186-N195 VanDerWaalsContact CE2-ND2 3.34Å; W186-N195 HydrophobicContact CZ2-CB 4.43Å; W186-N195 WeakPolarHBondContact CZ2-ND2 3.33Å; W186-N195 PolarHBondContact N-O 3.12Å; W186-N195 PolarHBondContact O-N 3.16Å; W186-R199 WeakPolarHBondContact CZ2-O 3.22Å; W186-R199 PolarHBondContact NE1-O 3.14Å; W186-C202 HydrophobicContact CH2-CB 4.32Å; W186-K209 HydrophobicContact CD2-CB 4.34Å; W186-K209 HydrophobicContact CD2-CD 4.34Å; W186-K209 HydrophobicContact CD2-CG 3.83Å; W186-K209 HydrophobicContact CE3-CG 4.15Å; W186-K209 HydrophobicContact CG-CD 4.22Å; W186-K209 HydrophobicContact CG-CG 4.17Å; W186-K209 HydrophobicContact CH2-CB 3.96Å; W186-K209 HydrophobicContact CH2-CG 4.44Å; W186-K209 HydrophobicContact CZ2-CB 3.71Å; W186-K209 HydrophobicContact CZ2-CG 4.13Å; W186-K209 HydrophobicContact CZ3-CB 4.37Å; W186-K209 HydrophobicContact CZ3-CG 4.45Å; W186-A212 HydrophobicContact CE3-CB 4.07Å; W186-A212 HydrophobicContact CH2-CB 4.22Å; W186-A212 HydrophobicContact CZ3-CB 3.38Å
187L80.8Confident70.1Confident116 Ų11687.4 Ų87.461%0.60746%0.458SS*.EExtended strand (participates in β ladder)trans-108.6123.3-178.1-66.4156.8000109.2N189 V193 Q194L187-N189 PolarHBondContact O-N 3.48Å; L187-V193 WeakPolarHBondContact CA-O 3.24Å; L187-Q194 HydrophobicContact CD2-CB 3.9Å
188C81.6Confident70.5Confident1 Ų192.7 Ų92.71%0.00747%0.469CS..  trans-74.9122.3171.5148.60000110.1W186 K190 C191 G192 V193 C202 C205 A212W186-C188 HydrophobicContact CE3-CB 4.41Å; W186-C188 HydrophobicContact CH2-CB 4.29Å; W186-C188 HydrophobicContact CZ3-CB 3.61Å; C188-K190 PolarHBondContact O-N 2.96Å; C188-K190 PolarHBondContact SG-N 2.72Å; C188-C191 WeakPolarHBondContact CB-SG 3.26Å; C188-C191 PolarHBondContact O-N 3.31Å; C188-C191 PolarHBondContact SG-N 3.14Å; C188-C191 PolarHBondContact SG-SG 3.27Å; C188-G192 WeakPolarHBondContact O-CA 3.16Å; C188-G192 PolarHBondContact O-N 3.2Å; C188-V193 PolarHBondContact N-O 2.95Å; C188-C202 HydrophobicContact CB-CB 3.6Å; C188-C205 WeakPolarHBondContact CB-SG 3.34Å; C188-C205 WeakPolarHBondContact SG-CB 3.24Å; C188-C205 CovalentContact SG-SG 2.07Å; C188-C205 PolarHBondContact SG-SG 2.86Å; C188-A212 HydrophobicContact CB-CB 4.06Å
189N76.9Confident71.2Confident87 Ų8793.5 Ų93.547%0.46546%0.461SS..THydrogen-bonded Turntrans-52-26.7176.760.96.5000113.9L187 E211 A212L187-N189 PolarHBondContact O-N 3.48Å; N189-E211 PolarHBondContact ND2-O 2.93Å; N189-E211 VanDerWaalsContact ND2-O 3.12Å; N189-A212 WeakPolarHBondContact ND2-CA 3.17Å; N189-A212 PolarHBondContact ND2-O 2.68Å; N189-A212 VanDerWaalsContact ND2-O 3.12Å; N189-A212 WeakPolarHBondContact OD1-CA 3.25Å
190K73.6Confident72.3Confident127 Ų12792.5 Ų92.555%0.55246%0.459SS*.THydrogen-bonded Turntrans-90.7-40.3177.5-41.1-158.8-163.1178.50115.8C188 C205 V207 E211C188-K190 PolarHBondContact O-N 2.96Å; C188-K190 PolarHBondContact SG-N 2.72Å; K190-C205 HydrophobicContact CB-CB 4.17Å; K190-V207 HydrophobicContact CB-CG2 4.31Å; K190-V207 HydrophobicContact CD-CG2 3.64Å; K190-V207 HydrophobicContact CG-CG2 3.97Å; K190-E211 WeakPolarHBondContact CE-OE1 3.45Å; K190-E211 IonicContact NZ-OE1 3.83Å; K190-E211 PolarHBondContact NZ-OE1 3.13Å
191C82.4Confident74.1Confident34 Ų3493.8 Ų93.823%0.2346%0.455CS..THydrogen-bonded Turntrans-89.6-18.4178.954.90000113.1C188 V193 C202 K204 C205C188-C191 WeakPolarHBondContact CB-SG 3.26Å; C188-C191 PolarHBondContact O-N 3.31Å; C188-C191 PolarHBondContact SG-N 3.14Å; C188-C191 PolarHBondContact SG-SG 3.27Å; C191-V193 HydrophobicContact CB-CG1 4.18Å; C191-V193 HydrophobicContact CB-CG2 4.42Å; C191-V193 WeakPolarHBondContact O-CG1 3.27Å; C191-V193 PolarHBondContact O-N 3.5Å; C191-V193 VanDerWaalsContact O-N 3.09Å; C191-V193 VanDerWaalsContact SG-CG2 3.55Å; C191-C202 WeakPolarHBondContact CB-SG 3.14Å; C191-C202 WeakPolarHBondContact SG-CB 3.49Å; C191-C202 CovalentContact SG-SG 2.1Å; C191-C202 PolarHBondContact SG-SG 3.34Å; C191-K204 HydrophobicContact CB-CB 4.26Å; C191-C205 HydrophobicContact CB-CB 3.52Å; C191-C205 PolarHBondContact SG-SG 2.94Å
192G78.3Confident75.7Confident57 Ų5785.4 Ų85.459%0.58842%0.423SS*.  trans66.8-1-174.300000115.4C188C188-G192 WeakPolarHBondContact O-CA 3.16Å; C188-G192 PolarHBondContact O-N 3.2Å
193V82.9Confident77.5Confident33 Ų3387.3 Ų87.320%0.242%0.417CS..  trans-88.3147.6-175.7-410000111.8L187 C188 C191 C202 F203 K204L187-V193 WeakPolarHBondContact CA-O 3.24Å; C188-V193 PolarHBondContact N-O 2.95Å; C191-V193 HydrophobicContact CB-CG1 4.18Å; C191-V193 HydrophobicContact CB-CG2 4.42Å; C191-V193 WeakPolarHBondContact O-CG1 3.27Å; C191-V193 PolarHBondContact O-N 3.5Å; C191-V193 VanDerWaalsContact O-N 3.09Å; C191-V193 VanDerWaalsContact SG-CG2 3.55Å; V193-C202 WeakPolarHBondContact CG2-SG 3.43Å; V193-F203 HydrophobicContact CB-CE1 3.97Å; V193-F203 HydrophobicContact CB-CZ 4.08Å; V193-F203 HydrophobicContact CG1-CZ 4.4Å; V193-F203 HydrophobicContact CG2-CD1 3.77Å; V193-F203 HydrophobicContact CG2-CE1 3.23Å; V193-F203 HydrophobicContact CG2-CZ 3.68Å; V193-K204 HydrophobicContact CG1-CD 4.46Å
194Q82.7Confident78.9Confident111 Ų11187.3 Ų87.352%0.51941%0.41SS..EExtended strand (participates in β ladder)trans-75.1134.6170.9-173.717511.400110.3D185 W186 L187 F203D185-Q194 HydrophobicContact CB-CG 3.7Å; W186-Q194 CarbonylContact O-C 3.51Å; L187-Q194 HydrophobicContact CD2-CB 3.9Å; Q194-F203 WeakPolarHBondContact O-CE1 3.32Å
195N80.9Confident80.3Confident1 Ų184.4 Ų84.41%0.00540%0.4CS..EExtended strand (participates in β ladder)trans-136.3135.6-171.8-169.736.2000111D185 W186 R199 K201 C202D185-N195 CarbonylContact C-O 3.55Å; D185-N195 VanDerWaalsContact CA-O 3.26Å; D185-N195 WeakPolarHBondContact CA-O 3.31Å; D185-N195 WeakPolarHBondContact CB-O 3.3Å; W186-N195 HydrophobicContact CD2-CB 4.36Å; W186-N195 VanDerWaalsContact CE2-ND2 3.34Å; W186-N195 HydrophobicContact CZ2-CB 4.43Å; W186-N195 WeakPolarHBondContact CZ2-ND2 3.33Å; W186-N195 PolarHBondContact N-O 3.12Å; W186-N195 PolarHBondContact O-N 3.16Å; N195-R199 WeakPolarHBondContact ND2-CB 3.26Å; N195-R199 WeakPolarHBondContact OD1-CD 3.45Å; N195-R199 PolarHBondContact OD1-NH1 2.85Å; N195-K201 PolarHBondContact ND2-O 3.47Å; N195-C202 WeakPolarHBondContact ND2-CA 3.37Å
196F80.7Confident80.6Confident114 Ų11486.5 Ų86.550%0.542%0.418SS..  trans-58.3140-172.2-62.2-63000113D185 R198 R199D185-F196 VanDerWaalsContact OD1-CA 3.24Å; D185-F196 WeakPolarHBondContact OD1-CA 3.47Å; D185-F196 WeakPolarHBondContact OD2-CD1 3.35Å; F196-R198 PolarHBondContact O-N 3.25Å; F196-R199 PolarHBondContact O-N 3Å
197K76.9Confident80.7Confident112 Ų11286.1 Ų86.149%0.48742%0.418SS..THydrogen-bonded Turntrans-41.6-40.2178.5-163.1-166.9-156.3173.90114.4E184 D185 R199E184-K197 HydrophobicContact CB-CB 4.16Å; E184-K197 HydrophobicContact CB-CD 3.85Å; E184-K197 HydrophobicContact CB-CG 4.12Å; E184-K197 VanDerWaalsContact O-CB 3.26Å; E184-K197 WeakPolarHBondContact O-CB 3.4Å; E184-K197 WeakPolarHBondContact O-CG 3.46Å; E184-K197 WeakPolarHBondContact OE1-CE 3.48Å; E184-K197 IonicContact OE1-NZ 2.61Å; E184-K197 PolarHBondContact OE1-NZ 2.91Å; E184-K197 WeakPolarHBondContact OE2-CD 3.31Å; E184-K197 WeakPolarHBondContact OE2-CE 3.35Å; E184-K197 IonicContact OE2-NZ 3.47Å; E184-K197 PolarHBondContact OE2-NZ 3.44Å; D185-K197 PolarHBondContact OD1-N 3.48Å; D185-K197 VanDerWaalsContact OD1-N 3.08Å; K197-R199 VanDerWaalsContact C-N 3.3Å; K197-R199 PolarHBondContact O-N 3.39Å
198R76.1Confident80.8Confident230 Ų23082.7 Ų82.787%0.86840%0.403SS*.THydrogen-bonded Turntrans-73.7-7.6-178.4-66.3-175.7-69.3140.4-1.9115.2F196F196-R198 PolarHBondContact O-N 3.25Å
199R76Confident80.6Confident103 Ų10386.1 Ų86.139%0.38942%0.418SS..  trans-98.2119.8176.8-68.4-145.2-167.2101.9-7109.8W186 N195 F196 K197 K201W186-R199 WeakPolarHBondContact CZ2-O 3.22Å; W186-R199 PolarHBondContact NE1-O 3.14Å; N195-R199 WeakPolarHBondContact ND2-CB 3.26Å; N195-R199 WeakPolarHBondContact OD1-CD 3.45Å; N195-R199 PolarHBondContact OD1-NH1 2.85Å; F196-R199 PolarHBondContact O-N 3Å; K197-R199 VanDerWaalsContact C-N 3.3Å; K197-R199 PolarHBondContact O-N 3.39Å; R199-K201 VanDerWaalsContact C-N 3.26Å; R199-K201 PolarHBondContact O-N 2.81Å
200E79.6Confident80.5Confident158 Ų15885.9 Ų85.974%0.73842%0.423SS*.SBendtrans-82.8-1.1177-60.3-179.6154.400113.3P208 K209E200-P208 CarbonylContact O-C 3.58Å; E200-P208 VanDerWaalsContact O-CA 3.24Å; E200-P208 WeakPolarHBondContact O-CA 3.4Å; E200-K209 PolarHBondContact O-N 3.01Å
201K87Confident80.5Confident127 Ų12783.3 Ų83.355%0.55241%0.413SS*.BIsolated β-bridgetrans-138.8142.1179.2-59.6-176-176.5-177.30110.2N195 R199 F203 S206 V207 P208N195-K201 PolarHBondContact ND2-O 3.47Å; R199-K201 VanDerWaalsContact C-N 3.26Å; R199-K201 PolarHBondContact O-N 2.81Å; K201-F203 PolarHBondContact O-N 2.62Å; K201-S206 WeakPolarHBondContact CB-O 3.38Å; K201-V207 WeakPolarHBondContact CA-O 3.46Å; K201-P208 HydrophobicContact CG-CB 4.45Å
202C86.1Confident79.7Confident3 Ų382.1 Ų82.12%0.0241%0.406CS..  trans-61.6135.9176.6174.80000109.7W186 C188 C191 V193 N195 K204 C205 S206 V207W186-C202 HydrophobicContact CH2-CB 4.32Å; C188-C202 HydrophobicContact CB-CB 3.6Å; C191-C202 WeakPolarHBondContact CB-SG 3.14Å; C191-C202 WeakPolarHBondContact SG-CB 3.49Å; C191-C202 CovalentContact SG-SG 2.1Å; C191-C202 PolarHBondContact SG-SG 3.34Å; V193-C202 WeakPolarHBondContact CG2-SG 3.43Å; N195-C202 WeakPolarHBondContact ND2-CA 3.37Å; C202-K204 PolarHBondContact O-N 3.07Å; C202-K204 PolarHBondContact SG-N 2.84Å; C202-C205 HydrophobicContact CB-CB 4.16Å; C202-C205 WeakPolarHBondContact CB-SG 3.35Å; C202-C205 PolarHBondContact SG-N 2.84Å; C202-C205 VanDerWaalsContact SG-SG 3.61Å; C202-S206 VanDerWaalsContact O-CA 3.29Å; C202-S206 WeakPolarHBondContact O-CA 3.45Å; C202-S206 PolarHBondContact O-N 2.92Å; C202-V207 PolarHBondContact N-O 3.44Å
203F85Confident78.8Confident118 Ų11884.9 Ų84.952%0.51840%0.403SS..THydrogen-bonded Turntrans-65.3-317677.5-95.8000114.6V193 Q194 K201V193-F203 HydrophobicContact CB-CE1 3.97Å; V193-F203 HydrophobicContact CB-CZ 4.08Å; V193-F203 HydrophobicContact CG1-CZ 4.4Å; V193-F203 HydrophobicContact CG2-CD1 3.77Å; V193-F203 HydrophobicContact CG2-CE1 3.23Å; V193-F203 HydrophobicContact CG2-CZ 3.68Å; Q194-F203 WeakPolarHBondContact O-CE1 3.32Å; K201-F203 PolarHBondContact O-N 2.62Å
204K80.4Confident77.2Confident141 Ų14189.1 Ų89.161%0.61342%0.424SS*.THydrogen-bonded Turntrans-134.3-37.9-177.1-166166-175.5174.80115.8C191 V193 C202C191-K204 HydrophobicContact CB-CB 4.26Å; V193-K204 HydrophobicContact CG1-CD 4.46Å; C202-K204 PolarHBondContact O-N 3.07Å; C202-K204 PolarHBondContact SG-N 2.84Å
205C83.4Confident75.1Confident35 Ų3593.2 Ų93.224%0.23644%0.44CS..THydrogen-bonded Turntrans-86-15170.168.30000112.5C188 K190 C191 C202 V207C188-C205 WeakPolarHBondContact CB-SG 3.34Å; C188-C205 WeakPolarHBondContact SG-CB 3.24Å; C188-C205 CovalentContact SG-SG 2.07Å; C188-C205 PolarHBondContact SG-SG 2.86Å; K190-C205 HydrophobicContact CB-CB 4.17Å; C191-C205 HydrophobicContact CB-CB 3.52Å; C191-C205 PolarHBondContact SG-SG 2.94Å; C202-C205 HydrophobicContact CB-CB 4.16Å; C202-C205 WeakPolarHBondContact CB-SG 3.35Å; C202-C205 PolarHBondContact SG-N 2.84Å; C202-C205 VanDerWaalsContact SG-SG 3.61Å; C205-V207 HydrophobicContact CB-CB 4.34Å; C205-V207 HydrophobicContact CB-CG2 3.76Å; C205-V207 PolarHBondContact O-N 3.43Å; C205-V207 WeakPolarHBondContact SG-CB 3.28Å; C205-V207 WeakPolarHBondContact SG-CG2 3.4Å
206S80.6Confident72.8Confident87 Ų87100.3 Ų100.361%0.60848%0.477SS*.  trans55.8-9.2-169.8-61.70000117K201 C202K201-S206 WeakPolarHBondContact CB-O 3.38Å; C202-S206 VanDerWaalsContact O-CA 3.29Å; C202-S206 WeakPolarHBondContact O-CA 3.45Å; C202-S206 PolarHBondContact O-N 2.92Å
207V83.1Confident70.6Confident13 Ų13100 Ų1008%0.07949%0.487CS..  trans-50.4132.8172.2-179.60000110K190 K201 C202 C205 E211 A212K190-V207 HydrophobicContact CB-CG2 4.31Å; K190-V207 HydrophobicContact CD-CG2 3.64Å; K190-V207 HydrophobicContact CG-CG2 3.97Å; K201-V207 WeakPolarHBondContact CA-O 3.46Å; C202-V207 PolarHBondContact N-O 3.44Å; C205-V207 HydrophobicContact CB-CB 4.34Å; C205-V207 HydrophobicContact CB-CG2 3.76Å; C205-V207 PolarHBondContact O-N 3.43Å; C205-V207 WeakPolarHBondContact SG-CB 3.28Å; C205-V207 WeakPolarHBondContact SG-CG2 3.4Å; V207-E211 HydrophobicContact CG1-CB 3.68Å; V207-E211 HydrophobicContact CG1-CG 3.9Å; V207-E211 WeakPolarHBondContact CG1-OE2 3.46Å; V207-A212 HydrophobicContact CG1-CB 4.31Å
208P81.6Confident68.6Low44 Ų44103.9 Ų103.929%0.28651%0.507SS..BIsolated β-bridgetrans-66.6152.3175.329.3-34.7000111.6E200 K201 S210 E211 A212E200-P208 CarbonylContact O-C 3.58Å; E200-P208 VanDerWaalsContact O-CA 3.24Å; E200-P208 WeakPolarHBondContact O-CA 3.4Å; K201-P208 HydrophobicContact CG-CB 4.45Å; P208-S210 PolarHBondContact O-N 3.18Å; P208-E211 WeakPolarHBondContact CD-OE2 3.47Å; P208-E211 HydrophobicContact CG-CB 3.86Å; P208-E211 PolarHBondContact O-N 3.45Å; P208-E211 VanDerWaalsContact O-N 3.13Å; P208-A212 PolarHBondContact O-N 3.35Å
209K79.3Confident66.4Low73 Ų73100.9 Ų100.932%0.31751%0.507SS..Hα-helixtrans-53.9-39.6-178.5-175.8-174.7165.3-164.50111.9W186 E200 A212 E213W186-K209 HydrophobicContact CD2-CB 4.34Å; W186-K209 HydrophobicContact CD2-CD 4.34Å; W186-K209 HydrophobicContact CD2-CG 3.83Å; W186-K209 HydrophobicContact CE3-CG 4.15Å; W186-K209 HydrophobicContact CG-CD 4.22Å; W186-K209 HydrophobicContact CG-CG 4.17Å; W186-K209 HydrophobicContact CH2-CB 3.96Å; W186-K209 HydrophobicContact CH2-CG 4.44Å; W186-K209 HydrophobicContact CZ2-CB 3.71Å; W186-K209 HydrophobicContact CZ2-CG 4.13Å; W186-K209 HydrophobicContact CZ3-CB 4.37Å; W186-K209 HydrophobicContact CZ3-CG 4.45Å; E200-K209 PolarHBondContact O-N 3.01Å; K209-A212 CarbonylContact O-C 3.55Å; K209-A212 WeakPolarHBondContact O-CB 3.31Å; K209-A212 PolarHBondContact O-N 2.81Å; K209-E213 WeakPolarHBondContact CE-OE1 3.36Å; K209-E213 VanDerWaalsContact CE-OE2 3.28Å; K209-E213 WeakPolarHBondContact CE-OE2 3.15Å; K209-E213 HydrophobicContact CG-CG 4.43Å; K209-E213 IonicContact NZ-OE1 3.96Å; K209-E213 PolarHBondContact NZ-OE1 3.19Å; K209-E213 IonicContact NZ-OE2 3.96Å; K209-E213 WeakPolarHBondContact O-CB 3.49Å; K209-E213 WeakPolarHBondContact O-CG 3.27Å; K209-E213 PolarHBondContact O-N 3.35Å
210S74.7Confident64.2Low82 Ų82102.7 Ų102.757%0.57352%0.524SS*.Hα-helixtrans-58.4-50.7176.247.10000113.2P208 A212 E213 L214P208-S210 PolarHBondContact O-N 3.18Å; S210-A212 VanDerWaalsContact C-N 3.25Å; S210-A212 PolarHBondContact O-N 3.03Å; S210-E213 PolarHBondContact O-N 3.43Å; S210-E213 VanDerWaalsContact O-N 3.12Å; S210-L214 PolarHBondContact O-N 2.92Å; S210-L214 VanDerWaalsContact O-N 3.09Å
211E72.9Confident61.8Low73 Ų73106.1 Ų106.134%0.34153%0.53SS..Hα-helixtrans-68.9-26.8177.1-169.7-168.316900111.9N189 K190 V207 P208 L214N189-E211 PolarHBondContact ND2-O 2.93Å; N189-E211 VanDerWaalsContact ND2-O 3.12Å; K190-E211 WeakPolarHBondContact CE-OE1 3.45Å; K190-E211 IonicContact NZ-OE1 3.83Å; K190-E211 PolarHBondContact NZ-OE1 3.13Å; V207-E211 HydrophobicContact CG1-CB 3.68Å; V207-E211 HydrophobicContact CG1-CG 3.9Å; V207-E211 WeakPolarHBondContact CG1-OE2 3.46Å; P208-E211 WeakPolarHBondContact CD-OE2 3.47Å; P208-E211 HydrophobicContact CG-CB 3.86Å; P208-E211 PolarHBondContact O-N 3.45Å; P208-E211 VanDerWaalsContact O-N 3.13Å; E211-L214 HydrophobicContact CG-CD1 4.43Å
212A65.3Low59Low10 Ų10107.7 Ų107.78%0.08354%0.539CS..Hα-helixtrans-74.5-22.517100000114.7W186 C188 N189 V207 P208 K209 S210W186-A212 HydrophobicContact CE3-CB 4.07Å; W186-A212 HydrophobicContact CH2-CB 4.22Å; W186-A212 HydrophobicContact CZ3-CB 3.38Å; C188-A212 HydrophobicContact CB-CB 4.06Å; N189-A212 WeakPolarHBondContact ND2-CA 3.17Å; N189-A212 PolarHBondContact ND2-O 2.68Å; N189-A212 VanDerWaalsContact ND2-O 3.12Å; N189-A212 WeakPolarHBondContact OD1-CA 3.25Å; V207-A212 HydrophobicContact CG1-CB 4.31Å; P208-A212 PolarHBondContact O-N 3.35Å; K209-A212 CarbonylContact O-C 3.55Å; K209-A212 WeakPolarHBondContact O-CB 3.31Å; K209-A212 PolarHBondContact O-N 2.81Å; S210-A212 VanDerWaalsContact C-N 3.25Å; S210-A212 PolarHBondContact O-N 3.03Å
213E58.6Low56.3Low115 Ų115114.4 Ų114.454%0.53757%0.572SS.*Hα-helixtrans-93.5-8.7175.6-73.8175.5150.400112.6K209 S210 K215K209-E213 WeakPolarHBondContact CE-OE1 3.36Å; K209-E213 VanDerWaalsContact CE-OE2 3.28Å; K209-E213 WeakPolarHBondContact CE-OE2 3.15Å; K209-E213 HydrophobicContact CG-CG 4.43Å; K209-E213 IonicContact NZ-OE1 3.96Å; K209-E213 PolarHBondContact NZ-OE1 3.19Å; K209-E213 IonicContact NZ-OE2 3.96Å; K209-E213 WeakPolarHBondContact O-CB 3.49Å; K209-E213 WeakPolarHBondContact O-CG 3.27Å; K209-E213 PolarHBondContact O-N 3.35Å; S210-E213 PolarHBondContact O-N 3.43Å; S210-E213 VanDerWaalsContact O-N 3.12Å; E213-K215 PolarHBondContact O-N 3.09Å
214L51.1Low54Low122 Ų122114.7 Ų114.764%0.63959%0.586SS**SBendtrans-62.7119.2168.9-72.6178.1000110.4S210 E211 L216S210-L214 PolarHBondContact O-N 2.92Å; S210-L214 VanDerWaalsContact O-N 3.09Å; E211-L214 HydrophobicContact CG-CD1 4.43Å; L214-L216 PolarHBondContact O-N 3.08Å
215K38.6Very low51.7Low196 Ų196114.4 Ų114.485%0.85260%0.595SS**PPolyproline II helixtrans-73.3122.9-176.1-70.4-175.8176.3-176.10111.8E213E213-K215 PolarHBondContact O-N 3.09Å
216L30.9Very low49.2Very low150 Ų150115.9 Ų115.979%0.78562%0.616SS**PPolyproline II helixtrans-62.3137.7153.7-132.5147000108.6L214 Q218L214-L216 PolarHBondContact O-N 3.08Å; L216-Q218 PolarHBondContact O-N 2.97Å
217P34.9Very low46.8Very low107 Ų107117.8 Ų117.870%0.69562%0.624SS**PPolyproline II helixtrans-56132.4165.3-24.234.2000110.1L219P217-L219 VanDerWaalsContact C-N 3.35Å; P217-L219 PolarHBondContact O-N 2.81Å
218Q35.8Very low44.3Very low194 Ų194125 Ų12591%0.90766%0.657SS**  trans-77.184.8178.4-70.2177-9600110.4L216L216-Q218 PolarHBondContact O-N 2.97Å
219L30.1Very low41.9Very low167 Ų167129.9 Ų129.987%0.87467%0.674SS**  trans-89.7137.9156.1-81.9-179.6000110.4P217P217-L219 VanDerWaalsContact C-N 3.35Å; P217-L219 PolarHBondContact O-N 2.81Å
220L29.7Very low39.5Very low142 Ų142133.7 Ų133.774%0.74369%0.693SS**  trans-55.5148.7177.7-104.772.2000111.9E222L220-E222 HydrophobicContact CD2-CG 4.24Å
221R29.5Very low37.3Very low230 Ų230133.2 Ų133.287%0.86870%0.701SS**  trans-97.499.6154.9-179.6-176.3-177.8150.93.3108.5
222E27.7Very low35.4Very low160 Ų160134.1 Ų134.175%0.74872%0.721SS**  trans-115.4158.2159.9-89.2-172.6176.200111.3L220L220-E222 HydrophobicContact CD2-CG 4.24Å
223M30Very low33.8Very low144 Ų144142.9 Ų142.971%0.70976%0.76SS**  trans-93.2148.2180-68.3-77.7-63.100109.9V225M223-V225 HydrophobicContact CE-CG2 4.04Å
224P36.1Very low32.4Very low124 Ų124140.8 Ų140.881%0.80577%0.769SS**  trans-119.1158.1134.7-3.624000112.1
225V32.6Very low31.5Very low134 Ų134143.5 Ų143.581%0.81278%0.783SS**  trans-125.1121.4172.8173.80000109.4M223M223-V225 HydrophobicContact CE-CG2 4.04Å
226G29.9Very low31.4Very low66 Ų66142.2 Ų142.268%0.6879%0.785SS**  trans121138.7145.800000119.7
227V30.6Very low31.4Very low127 Ų127140.9 Ų140.977%0.7779%0.785SS**  trans81.793.7144.3-166.20000120.2
228Q30Very low31.5Very low166 Ų166143.7 Ų143.778%0.77679%0.793SS**  trans59156.5136.2-60.2-168.892.600120.1
229K31.4Very low32.1Very low146 Ų146140 Ų14064%0.63579%0.786SS**  cis-148.2-152.14.6-137.3171158.7-91.60111.2
230E28.4Very low32Very low152 Ų152138 Ų13871%0.7178%0.781SS**  trans-55.9161.1-176.8-54.799.2157.800115
231G29.8Very low32.3Very low72 Ų72136.3 Ų136.374%0.74278%0.781SS**  cis158.7168.9-3.400000112.8
232A33.2Very low32.2Very low92 Ų92135.5 Ų135.576%0.7678%0.779SS**  trans71.5122.316800000121.8
233Q30.8Very low32.3Very low195 Ų195136 Ų13691%0.91178%0.781SS**  trans62.6115.2134.8-60.1174.39.500122.6
234G30.4Very low32.8Very low70 Ų70134.6 Ų134.672%0.72278%0.783SS**  110.3113.8110.400000121.4
235L30.4Very low32.5Very low180 Ų180134 Ų13494%0.94279%0.788SS**  trans68.7148.9145.8-56.3174.6000121
236L36.7Very low32.4Very low168 Ų168131 Ų13188%0.8879%0.785SS**  trans-86.6154.6168.3-60.5169.3000109.8
237P32.3Very low32.7Very low123 Ų123134.5 Ų134.580%0.79980%0.795SS**  -152.2169.993.741-23.8000117
238L36.2Very low32.8Very low166 Ų166133.9 Ų133.987%0.86980%0.797SS**  trans-91.7174.5157.1-63.9171.7000109.1
239P48.3Very low32.9Very low116 Ų116132.1 Ų132.175%0.75380%0.797SS**  cis-121.6-161.21.833.6-11.2000112.4
240V28.1Very low33.4Very low126 Ų126130.7 Ų130.776%0.76480%0.802SS**  -173.2151.975.7164.60000109.9
241S35.6Very low33.7Very low106 Ų106129.3 Ų129.374%0.74181%0.807SS**  trans-100143.8173-36.90000112.7
242Y27.6Very low34.1Very low213 Ų213128.7 Ų128.784%0.83580%0.801SS**  trans-170.8119.8149.7-108.9-76000113.1
243H29.7Very low34.3Very low169 Ų169130.9 Ų130.978%0.78281%0.807SS**  trans18.1170.8143.8-65.3-85.3000123.9
244P41.7Very low34.1Very low116 Ų116125.3 Ų125.375%0.75379%0.794SS**  cis-134.7169.1-1.926.1-1.6000118.2
245A29.4Very low34.4Very low110 Ų110128.1 Ų128.191%0.90980%0.8SS**  trans17.3131.2150.200000124.2
246G29.1Very low34.6Very low72 Ų72127.3 Ų127.374%0.74279%0.791SS**  trans-152.6154.4156.400000110.5
247P36.5Very low34.5Very low139 Ų139123.8 Ų123.890%0.90378%0.778SS**  trans-84.8166.8-162.533.5-37000116
248S32.3Very low34.8Very low115 Ų115122.2 Ų122.280%0.80478%0.776SS**  trans-83.1138.2-167.556.80000116.1
249V33.3Very low35.5Very low129 Ų129117.7 Ų117.778%0.78275%0.753SS**  trans-122.9133.7150.1178.30000106.6P251V249-P251 WeakPolarHBondContact O-CD 3.4Å
250P40.9Very low36Very low115 Ų115117 Ų11775%0.74775%0.746SS**PPolyproline II helixtrans-70.3125.9-177.527.6-33.8000111.2
251P35.8Very low37.6Very low123 Ų123112.7 Ų112.780%0.79972%0.724SS**PPolyproline II helixtrans-64142.4164.6-15.930.5000109.8V249V249-P251 WeakPolarHBondContact O-CD 3.4Å
252G37.5Very low39.7Very low60 Ų60109.3 Ų109.362%0.61970%0.697SS**PPolyproline II helixtrans-60.4163.1164.900000111.3A254G252-A254 PolarHBondContact O-N 2.86Å; G252-A254 VanDerWaalsContact O-N 3.16Å
253P37.6Very low42.2Very low137 Ų137101.7 Ų101.789%0.8967%0.671SS**PPolyproline II helixtrans-55.4124.4179.223.9-33.7000110.4
254A27.9Very low44.9Very low78 Ų7894.8 Ų94.865%0.64564%0.641SS**PPolyproline II helixtrans-58.1148-17900000111.2G252 Q256G252-A254 PolarHBondContact O-N 2.86Å; G252-A254 VanDerWaalsContact O-N 3.16Å; A254-Q256 PolarHBondContact O-N 3.04Å; A254-Q256 VanDerWaalsContact O-N 3.09Å
255P35.2Very low47.2Very low130 Ų13089.3 Ų89.384%0.84461%0.605SS**PPolyproline II helixtrans-56.8120174.624.8-33.8000109.1
256Q34Very low50.1Low162 Ų16284.9 Ų84.976%0.75757%0.566SS**PPolyproline II helixtrans-66.5144.2-175.9-65.2-158.84000110.4A254 A258A254-Q256 PolarHBondContact O-N 3.04Å; A254-Q256 VanDerWaalsContact O-N 3.09Å; Q256-A258 PolarHBondContact O-N 3.12Å
257P35.3Very low53Low94 Ų9481.5 Ų81.561%0.6153%0.531SS*.SBendtrans-60.2126.1-178.424.5-34.2000110D259P257-D259 PolarHBondContact O-N 2.81Å
258A38.6Very low55.4Low91 Ų9179.3 Ų79.375%0.75251%0.505SS*.  trans-37.7125.3-164.700000113.9Q256 V260Q256-A258 PolarHBondContact O-N 3.12Å; A258-V260 PolarHBondContact O-N 3.47Å
259D51.5Low58Low70 Ų7077.9 Ų77.937%0.37449%0.488SS..  trans-70.4115.5-178.1-155.88.5000109.2P257 A261 F344P257-D259 PolarHBondContact O-N 2.81Å; D259-A261 PolarHBondContact O-N 2.71Å; D259-F344 HydrophobicContact CB-CD2 4.45Å; D259-F344 WeakPolarHBondContact OD2-CB 3.08Å; D259-F344 WeakPolarHBondContact OD2-CD2 3.46Å; D259-F344 PolarHBondContact OD2-N 3.43Å
260V58.8Low60.4Low103 Ų10372 Ų7262%0.62445%0.452SS*.  trans-72123.1-177.1177.70000107.2A258 N262A258-V260 PolarHBondContact O-N 3.47Å; V260-N262 PolarHBondContact O-N 3.19Å; V260-N262 PolarHBondContact O-ND2 3.33Å
261A62.2Low62.4Low35 Ų3566.7 Ų66.729%0.28942%0.418SS..  trans-59.8113.7178.600000110.2D259 I316 F344D259-A261 PolarHBondContact O-N 2.71Å; A261-I316 HydrophobicContact CB-CG2 3.83Å; A261-F344 HydrophobicContact CB-CZ 4.32Å
262N78.3Confident64.5Low34 Ų3463.2 Ų63.218%0.18240%0.396CS..  trans-116.6157.4-177.1-81.4-79.2000110.7V260 T264 A319 F344V260-N262 PolarHBondContact O-N 3.19Å; V260-N262 PolarHBondContact O-ND2 3.33Å; N262-T264 PolarHBondContact O-N 3.05Å; N262-A319 WeakPolarHBondContact O-CB 3.49Å; N262-F344 HydrophobicContact CB-CD1 4.29Å; N262-F344 WeakPolarHBondContact O-CD1 3.43Å; N262-F344 WeakPolarHBondContact O-CE1 3.45Å
263D81.3Confident66.4Low54 Ų5467.4 Ų67.429%0.28940%0.399SS..SBendtrans-71.7-12.617668.7-14.6000112.7L313 I316D263-L313 PolarHBondContact O-N 3.37Å; D263-I316 HydrophobicContact CB-CG1 3.92Å
264T86.8Confident68.7Low24 Ų2461 Ų6115%0.14736%0.357CS..EExtended strand (participates in β ladder)trans-118.8124.5-172.3-560000109.1N262 F310 L311 A345N262-T264 PolarHBondContact O-N 3.05Å; T264-F310 HydrophobicContact CG2-CB 4Å; T264-F310 HydrophobicContact CG2-CD1 4.25Å; T264-L311 CarbonylContact C-O 3.59Å; T264-L311 VanDerWaalsContact CA-O 3.29Å; T264-L311 WeakPolarHBondContact CA-O 3.27Å; T264-A345 HydrophobicContact CG2-CB 3.73Å; T264-A345 VanDerWaalsContact O-CB 3.23Å; T264-A345 WeakPolarHBondContact O-CB 3.34Å; T264-A345 PolarHBondContact O-N 3.23Å
265L89.4Confident71.5Confident1 Ų160.4 Ų60.41%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-92.6154.2168.8-58.6-177.7000110.1F310 L311 L313 A319 L322 L323 V342 E343 F344L265-F310 WeakPolarHBondContact O-CA 3.41Å; L265-L311 HydrophobicContact CB-CB 4.44Å; L265-L311 HydrophobicContact CB-CD2 4.46Å; L265-L311 HydrophobicContact CD1-CD2 4.37Å; L265-L311 PolarHBondContact N-O 3.25Å; L265-L311 PolarHBondContact O-N 3.08Å; L265-L313 HydrophobicContact CD1-CD1 4.44Å; L265-A319 HydrophobicContact CD2-CB 4.19Å; L265-A319 HydrophobicContact CG-CB 4.31Å; L265-L322 HydrophobicContact CD1-CB 4.36Å; L265-L322 HydrophobicContact CD1-CD2 4.27Å; L265-L322 HydrophobicContact CD1-CG 4.36Å; L265-L323 HydrophobicContact CD1-CB 4.28Å; L265-L323 HydrophobicContact CD2-CB 4.18Å; L265-L323 HydrophobicContact CD2-CD1 4.45Å; L265-V342 HydrophobicContact CB-CG1 4.43Å; L265-V342 HydrophobicContact CD1-CG1 4.08Å; L265-E343 WeakPolarHBondContact CA-O 3.27Å; L265-F344 HydrophobicContact CD2-CD1 3.49Å; L265-F344 VanDerWaalsContact CD2-CD1 3.49Å; L265-F344 HydrophobicContact CD2-CE1 3.78Å; L265-F344 HydrophobicContact CD2-CG 4.13Å
266I90.3Very high73.9Confident16 Ų1656.3 Ų56.38%0.08232%0.318CS..EExtended strand (participates in β ladder)trans-111.9122.1167.5-171.6174.6000109.9R268 F308 F310 E343 A345I266-R268 HydrophobicContact CD1-CG 4.2Å; I266-R268 HydrophobicContact CG1-CG 4.08Å; I266-F308 HydrophobicContact CD1-CB 4.44Å; I266-F308 HydrophobicContact CD1-CD2 4.22Å; I266-F308 HydrophobicContact CG1-CB 4.45Å; I266-F310 HydrophobicContact CB-CD1 4.18Å; I266-F310 HydrophobicContact CB-CE1 4.22Å; I266-F310 HydrophobicContact CD1-CD1 4.44Å; I266-F310 HydrophobicContact CD1-CE1 3.76Å; I266-F310 HydrophobicContact CD1-CZ 4.1Å; I266-F310 HydrophobicContact CG1-CD1 4.2Å; I266-F310 HydrophobicContact CG1-CE1 4.02Å; I266-E343 HydrophobicContact CG2-CB 3.97Å; I266-E343 PolarHBondContact N-O 3.39Å; I266-E343 PolarHBondContact O-N 3.35Å; I266-A345 HydrophobicContact CB-CB 4.22Å
267L89.1Confident76.3Confident2 Ų255.7 Ų55.71%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-89123.3169.6-55.9175.3000107.7L270 I279 L283 F308 A309 L311 I340 V342L267-L270 HydrophobicContact CB-CD1 4.4Å; L267-I279 HydrophobicContact CD1-CG2 3.65Å; L267-L283 HydrophobicContact CD1-CD1 4.2Å; L267-F308 CarbonylContact O-C 3.59Å; L267-F308 WeakPolarHBondContact O-CA 3.42Å; L267-F308 WeakPolarHBondContact O-CB 3.43Å; L267-A309 HydrophobicContact CB-CB 4.47Å; L267-A309 PolarHBondContact N-O 2.91Å; L267-A309 PolarHBondContact O-N 3.21Å; L267-L311 HydrophobicContact CD1-CD1 4.17Å; L267-I340 HydrophobicContact CB-CG2 4.2Å; L267-I340 HydrophobicContact CD2-CG2 4.14Å; L267-V342 HydrophobicContact CD2-CG1 4.04Å; L267-V342 HydrophobicContact CD2-CG2 3.91Å
268R87.9Confident78.8Confident93 Ų9352.4 Ų52.435%0.35130%0.296SS..EExtended strand (participates in β ladder)trans-119.1160.6176.5-58.8-176.4-173.314511.5111.2I266 G307 F308 I340 V341 E343I266-R268 HydrophobicContact CD1-CG 4.2Å; I266-R268 HydrophobicContact CG1-CG 4.08Å; R268-G307 CarbonylContact C-O 3.45Å; R268-F308 HydrophobicContact CG-CB 4.44Å; R268-I340 WeakPolarHBondContact O-CA 3.31Å; R268-I340 WeakPolarHBondContact O-CG2 3.14Å; R268-V341 HydrophobicContact CB-CB 4.33Å; R268-V341 PolarHBondContact N-O 2.91Å; R268-V341 PolarHBondContact O-N 3.03Å; R268-E343 IonicContact CZ-OE1 2.75Å; R268-E343 IonicContact CZ-OE2 3.4Å; R268-E343 VanDerWaalsContact CZ-OE2 3.28Å; R268-E343 VanDerWaalsContact NH1-CD 3.34Å; R268-E343 IonicContact NH1-OE1 3.99Å; R268-E343 PolarHBondContact NH1-OE1 2.88Å; R268-E343 IonicContact NH1-OE2 3.36Å; R268-E343 PolarHBondContact NH1-OE2 3.31Å; R268-E343 IonicContact NH2-OE1 2.67Å; R268-E343 PolarHBondContact NH2-OE1 3.1Å; R268-E343 IonicContact NH2-OE2 2.67Å; R268-E343 PolarHBondContact NH2-OE2 3.06Å
269N86.1Confident81Confident84 Ų8448 Ų4845%0.44926%0.26SS..SBendtrans69.130-176-161.636.2000115G307 A339N269-G307 PolarHBondContact N-O 3.14Å; N269-A339 PolarHBondContact ND2-O 2.67Å
270L85.1Confident82.6Confident6 Ų646.2 Ų46.23%0.03125%0.25CS..  trans-65.7153171.9-66.7171.3000111.9L267 T274 I279 L296 G307 A309 I340L267-L270 HydrophobicContact CB-CD1 4.4Å; L270-T274 HydrophobicContact CD2-CG2 4.42Å; L270-I279 HydrophobicContact CD1-CD1 3.85Å; L270-I279 HydrophobicContact CD2-CD1 4.11Å; L270-I279 HydrophobicContact CD2-CG1 4.14Å; L270-L296 HydrophobicContact CD1-CD1 3.83Å; L270-G307 PolarHBondContact N-O 2.92Å; L270-A309 HydrophobicContact CD1-CB 3.59Å; L270-I340 HydrophobicContact CD2-CD1 3.52Å; L270-I340 HydrophobicContact CD2-CG1 4.15Å
271G81.6Confident83.8Confident3 Ų345.5 Ų45.53%0.03125%0.25CS..  trans-70.4152.3173.700000112.4H273 T274 N305G271-H273 PolarHBondContact O-N 3.29Å; G271-T274 WeakPolarHBondContact CA-OG1 3.48Å; G271-T274 PolarHBondContact N-OG1 3.24Å; G271-T274 PolarHBondContact O-N 2.86Å; G271-T274 PolarHBondContact O-OG1 3.03Å; G271-N305 WeakPolarHBondContact O-CB 3.32Å; G271-N305 PolarHBondContact O-ND2 2.86Å
272P79.4Confident84.8Confident51 Ų5145 Ų4533%0.33125%0.246SC..THydrogen-bonded Turntrans-64.1-22.3179.126.4-34.1000113.3L304 N305P272-L304 HydrophobicContact CB-CB 4.45Å; P272-L304 HydrophobicContact CB-CD1 4.49Å; P272-N305 PolarHBondContact O-N 3.42Å; P272-N305 PolarHBondContact O-ND2 2.99Å
273H79.3Confident85Confident147 Ų14743.4 Ų43.468%0.68124%0.237SC*.THydrogen-bonded Turntrans-108.9-5-178.9-57.9-65.9000114.4G271 T275G271-H273 PolarHBondContact O-N 3.29Å; H273-T275 PolarHBondContact O-N 3.39Å
274T84.5Confident84.9Confident2 Ų243.8 Ų43.81%0.01225%0.248CC..  trans-54.8122.6-178.1-49.10000111.8L270 G271 A278 I279 N305 I335 D336L270-T274 HydrophobicContact CD2-CG2 4.42Å; G271-T274 WeakPolarHBondContact CA-OG1 3.48Å; G271-T274 PolarHBondContact N-OG1 3.24Å; G271-T274 PolarHBondContact O-N 2.86Å; G271-T274 PolarHBondContact O-OG1 3.03Å; T274-A278 HydrophobicContact CG2-CB 3.98Å; T274-I279 HydrophobicContact CG2-CD1 4.4Å; T274-I279 HydrophobicContact CG2-CG1 3.92Å; T274-N305 PolarHBondContact N-ND2 3.15Å; T274-N305 VanDerWaalsContact N-ND2 3.16Å; T274-N305 PolarHBondContact O-ND2 2.9Å; T274-I335 HydrophobicContact CG2-CG2 3.65Å; T274-D336 WeakPolarHBondContact CA-OD2 3.49Å; T274-D336 WeakPolarHBondContact CB-OD2 3.43Å; T274-D336 WeakPolarHBondContact CG2-OD2 3.45Å; T274-D336 PolarHBondContact OG1-OD2 3.23Å
275T86.7Confident84.4Confident66 Ų6647.2 Ų47.241%0.40527%0.271SS..  trans-81.1163.6178.161.60000111.7H273 E277 A278 I279H273-T275 PolarHBondContact O-N 3.39Å; T275-E277 PolarHBondContact O-N 2.65Å; T275-A278 PolarHBondContact O-N 3.42Å; T275-A278 PolarHBondContact OG1-N 2.83Å; T275-I279 PolarHBondContact O-N 3.35Å
276V85.6Confident83.8Confident44 Ų4450.5 Ų50.527%0.26729%0.285SS..Hα-helixtrans-60.9-36.6169.7-179.80000110.1A278 I279 L280 V294 L296V276-A278 PolarHBondContact O-N 2.91Å; V276-I279 WeakPolarHBondContact O-CB 3.47Å; V276-I279 PolarHBondContact O-N 3.12Å; V276-L280 HydrophobicContact CG1-CD1 4.08Å; V276-L280 HydrophobicContact CG1-CG 4.33Å; V276-L280 WeakPolarHBondContact O-CG 3.32Å; V276-L280 PolarHBondContact O-N 3.09Å; V276-V294 HydrophobicContact CG1-CB 4.03Å; V276-V294 HydrophobicContact CG1-CG1 4.07Å; V276-L296 HydrophobicContact CG2-CB 3.88Å; V276-L296 HydrophobicContact CG2-CD2 3.76Å
277E85.8Confident83.2Confident149 Ų14950.7 Ų50.770%0.69629%0.289SS*.Hα-helixtrans-61.3-40.6174.6-67.1149.9-154.600112.7T275 I279 L280 S281T275-E277 PolarHBondContact O-N 2.65Å; E277-I279 VanDerWaalsContact C-N 3.33Å; E277-I279 PolarHBondContact O-N 2.84Å; E277-L280 PolarHBondContact O-N 3Å; E277-S281 VanDerWaalsContact O-CB 3.24Å; E277-S281 WeakPolarHBondContact O-CB 3.32Å; E277-S281 PolarHBondContact O-N 2.96Å
278A86.3Confident82.6Confident25 Ų2557.5 Ų57.521%0.20733%0.331CS..Hα-helixtrans-63.6-38.7174.500000111.9T274 T275 V276 A282 I335T274-A278 HydrophobicContact CG2-CB 3.98Å; T275-A278 PolarHBondContact O-N 3.42Å; T275-A278 PolarHBondContact OG1-N 2.83Å; V276-A278 PolarHBondContact O-N 2.91Å; A278-A282 WeakPolarHBondContact O-CB 3.45Å; A278-A282 PolarHBondContact O-N 2.85Å; A278-A282 VanDerWaalsContact O-N 3.08Å; A278-I335 HydrophobicContact CB-CG2 4.11Å
279I86Confident82Confident0 Ų054.3 Ų54.30%032%0.321CS..Hα-helixtrans-66.4-44.4174.8-62.3167.2000111L267 L270 T274 T275 V276 E277 L283 V294 L296 A309 I335L267-I279 HydrophobicContact CD1-CG2 3.65Å; L270-I279 HydrophobicContact CD1-CD1 3.85Å; L270-I279 HydrophobicContact CD2-CD1 4.11Å; L270-I279 HydrophobicContact CD2-CG1 4.14Å; T274-I279 HydrophobicContact CG2-CD1 4.4Å; T274-I279 HydrophobicContact CG2-CG1 3.92Å; T275-I279 PolarHBondContact O-N 3.35Å; V276-I279 WeakPolarHBondContact O-CB 3.47Å; V276-I279 PolarHBondContact O-N 3.12Å; E277-I279 VanDerWaalsContact C-N 3.33Å; E277-I279 PolarHBondContact O-N 2.84Å; I279-L283 HydrophobicContact CG2-CD1 3.89Å; I279-L283 WeakPolarHBondContact O-CB 3.23Å; I279-L283 VanDerWaalsContact O-CG 3.28Å; I279-L283 WeakPolarHBondContact O-CG 3.2Å; I279-L283 PolarHBondContact O-N 3.16Å; I279-V294 HydrophobicContact CD1-CG1 4.36Å; I279-V294 HydrophobicContact CG2-CG1 4.01Å; I279-L296 HydrophobicContact CD1-CD1 4.07Å; I279-L296 HydrophobicContact CD1-CD2 4.4Å; I279-A309 HydrophobicContact CD1-CB 4.38Å; I279-I335 HydrophobicContact CG1-CD1 4.32Å
280L84.5Confident81.5Confident31 Ų3153.2 Ų53.216%0.16232%0.32CS..Hα-helixtrans-64.2-44.6176.8-69.5170.4000111.5V276 E277 A282 L283 A284 L289 P291 V294V276-L280 HydrophobicContact CG1-CD1 4.08Å; V276-L280 HydrophobicContact CG1-CG 4.33Å; V276-L280 WeakPolarHBondContact O-CG 3.32Å; V276-L280 PolarHBondContact O-N 3.09Å; E277-L280 PolarHBondContact O-N 3Å; L280-A282 PolarHBondContact O-N 3.16Å; L280-L283 CarbonylContact O-C 3.58Å; L280-L283 PolarHBondContact O-N 2.95Å; L280-A284 WeakPolarHBondContact O-CB 3.32Å; L280-A284 PolarHBondContact O-N 2.88Å; L280-L289 HydrophobicContact CD2-CB 3.64Å; L280-P291 HydrophobicContact CD1-CB 4.03Å; L280-V294 HydrophobicContact CD2-CG2 3.82Å
281S84.1Confident81Confident89 Ų8957.3 Ų57.362%0.62235%0.347SS*.Hα-helixtrans-61-44179.3-174.60000112.3E277 L283E277-S281 VanDerWaalsContact O-CB 3.24Å; E277-S281 WeakPolarHBondContact O-CB 3.32Å; E277-S281 PolarHBondContact O-N 2.96Å; S281-L283 VanDerWaalsContact C-N 3.27Å; S281-L283 PolarHBondContact O-N 3.23Å
282A82.1Confident80.7Confident24 Ų2461.3 Ų61.320%0.19837%0.374CS..Hα-helixtrans-69.6-21.3177.600000114.2A278 L280 L333 I335A278-A282 WeakPolarHBondContact O-CB 3.45Å; A278-A282 PolarHBondContact O-N 2.85Å; A278-A282 VanDerWaalsContact O-N 3.08Å; L280-A282 PolarHBondContact O-N 3.16Å; A282-L333 HydrophobicContact CB-CD1 4.42Å; A282-I335 HydrophobicContact CB-CD1 3.38Å; A282-I335 HydrophobicContact CB-CG1 3.61Å
283L82.3Confident80.9Confident1 Ų160.9 Ų60.91%0.00537%0.369CS..Hα-helixtrans-104.4-16.8-178.5-65.6178.5000113.9L267 I279 L280 S281 F286 A287 L289 L311 L326 L333L267-L283 HydrophobicContact CD1-CD1 4.2Å; I279-L283 HydrophobicContact CG2-CD1 3.89Å; I279-L283 WeakPolarHBondContact O-CB 3.23Å; I279-L283 VanDerWaalsContact O-CG 3.28Å; I279-L283 WeakPolarHBondContact O-CG 3.2Å; I279-L283 PolarHBondContact O-N 3.16Å; L280-L283 CarbonylContact O-C 3.58Å; L280-L283 PolarHBondContact O-N 2.95Å; S281-L283 VanDerWaalsContact C-N 3.27Å; S281-L283 PolarHBondContact O-N 3.23Å; L283-F286 PolarHBondContact O-N 3.28Å; L283-A287 PolarHBondContact O-N 3.47Å; L283-L289 HydrophobicContact CB-CD1 3.64Å; L283-L289 HydrophobicContact CD1-CD1 3.78Å; L283-L289 HydrophobicContact CG-CD1 4.37Å; L283-L311 HydrophobicContact CD1-CD1 3.4Å; L283-L326 HydrophobicContact CD2-CD1 3.64Å; L283-L326 HydrophobicContact CD2-CD2 3.89Å; L283-L326 HydrophobicContact CD2-CG 4.4Å; L283-L333 HydrophobicContact CD2-CD2 3.65Å
284A79.3Confident81.2Confident61 Ų6154.3 Ų54.350%0.50434%0.339SS..THydrogen-bonded Turntrans-49-39.9176.400000115.6L280 F286L280-A284 WeakPolarHBondContact O-CB 3.32Å; L280-A284 PolarHBondContact O-N 2.88Å; A284-F286 PolarHBondContact O-N 3.18Å
285P76.6Confident81.4Confident97 Ų9760.7 Ų60.763%0.6336%0.363SS*.THydrogen-bonded Turntrans-73.8-7.9176.529.1-35.4000114.2
286F77.9Confident81.4Confident69 Ų6958.7 Ų58.730%0.30335%0.35SS..THydrogen-bonded Turntrans-116.3-26.2-177.1-51.4-58.7000113.5L283 A284 L322 I325 L326 L329 L333L283-F286 PolarHBondContact O-N 3.28Å; A284-F286 PolarHBondContact O-N 3.18Å; F286-L322 HydrophobicContact CB-CD1 3.65Å; F286-I325 HydrophobicContact CB-CG2 4.25Å; F286-I325 HydrophobicContact CD1-CG2 3.63Å; F286-I325 HydrophobicContact CE1-CG2 4.28Å; F286-I325 HydrophobicContact CG-CG2 4.07Å; F286-L326 HydrophobicContact CD2-CD2 3.7Å; F286-L326 HydrophobicContact CE2-CD2 4.17Å; F286-L326 HydrophobicContact CG-CD2 4.21Å; F286-L329 HydrophobicContact CD2-CD1 4.37Å; F286-L329 HydrophobicContact CE1-CD1 4.09Å; F286-L329 HydrophobicContact CE1-CD2 3.87Å; F286-L329 HydrophobicContact CE2-CD1 3.66Å; F286-L329 HydrophobicContact CZ-CD1 3.49Å; F286-L329 VanDerWaalsContact CZ-CD1 3.49Å; F286-L329 HydrophobicContact CZ-CD2 3.85Å; F286-L329 HydrophobicContact CZ-CG 4.31Å; F286-L333 HydrophobicContact CE2-CD1 4.21Å
287A77.1Confident81.6Confident21 Ų2159.3 Ų59.317%0.17435%0.351CS..  trans-153.3142.1173.100000111.9L283 L289 L322L283-A287 PolarHBondContact O-N 3.47Å; A287-L289 HydrophobicContact CB-CD1 4.49Å; A287-L289 HydrophobicContact CB-CD2 3.8Å; A287-L289 HydrophobicContact CB-CG 3.89Å; A287-L289 PolarHBondContact O-N 2.86Å; A287-L322 HydrophobicContact CB-CD1 4.05Å; A287-L322 HydrophobicContact CB-CD2 4.06Å
288T75.6Confident81.6Confident144 Ų14457.8 Ų57.888%0.88334%0.342SS*.  trans-76.987.4171.651.20000110.2
289L76.9Confident81.6Confident27 Ų2758.3 Ų58.314%0.14134%0.341CS..  trans-99.3135.9-175.3-58.5178.5000112.6L280 L283 A287 L311 L313L280-L289 HydrophobicContact CD2-CB 3.64Å; L283-L289 HydrophobicContact CB-CD1 3.64Å; L283-L289 HydrophobicContact CD1-CD1 3.78Å; L283-L289 HydrophobicContact CG-CD1 4.37Å; A287-L289 HydrophobicContact CB-CD1 4.49Å; A287-L289 HydrophobicContact CB-CD2 3.8Å; A287-L289 HydrophobicContact CB-CG 3.89Å; A287-L289 PolarHBondContact O-N 2.86Å; L289-L311 HydrophobicContact CD1-CD1 3.72Å; L289-L311 HydrophobicContact CD1-CG 4.48Å; L289-L313 HydrophobicContact CD2-CD2 3.61Å
290S75.6Confident81.4Confident61 Ų6166.6 Ų66.643%0.42738%0.377SS..  trans-93.1152.9169.1-56.20000111S292 N293S290-S292 VanDerWaalsContact CB-OG 3.3Å; S290-S292 WeakPolarHBondContact CB-OG 3.44Å; S290-S292 PolarHBondContact O-N 3.01Å; S290-S292 VanDerWaalsContact O-N 3.15Å; S290-N293 VanDerWaalsContact O-CB 3.27Å; S290-N293 WeakPolarHBondContact O-CB 3.41Å; S290-N293 PolarHBondContact O-N 3.39Å
291P73.3Confident81.3Confident92 Ų9272.8 Ų72.860%0.59741%0.405SS*.G310 helixtrans-60.6-24.8178.723.3-33.8000113.8L280 N293 V294L280-P291 HydrophobicContact CD1-CB 4.03Å; P291-N293 PolarHBondContact O-N 2.79Å; P291-V294 PolarHBondContact O-N 3.36Å
292S76.1Confident81.2Confident87 Ų8772.5 Ų72.561%0.60840%0.4SS*.G310 helixtrans-55.6-27.9169.8480000114.1S290S290-S292 VanDerWaalsContact CB-OG 3.3Å; S290-S292 WeakPolarHBondContact CB-OG 3.44Å; S290-S292 PolarHBondContact O-N 3.01Å; S290-S292 VanDerWaalsContact O-N 3.15Å
293N82.7Confident80.9Confident41 Ų4178.1 Ų78.122%0.21942%0.421CS..G310 helixtrans-85.7-17.1-170.9-6011.2000111.6S290 P291 L311 Q312S290-N293 VanDerWaalsContact O-CB 3.27Å; S290-N293 WeakPolarHBondContact O-CB 3.41Å; S290-N293 PolarHBondContact O-N 3.39Å; P291-N293 PolarHBondContact O-N 2.79Å; N293-L311 CarbonylContact O-C 3.53Å; N293-L311 WeakPolarHBondContact O-CA 3.36Å; N293-Q312 VanDerWaalsContact CB-O 3.3Å; N293-Q312 WeakPolarHBondContact CB-O 3.3Å; N293-Q312 PolarHBondContact O-N 2.97Å
294V87.4Confident80.8Confident10 Ų1081.2 Ų81.26%0.06144%0.438CS..EExtended strand (participates in β ladder)trans-110104.8-173.3-177.10000110.9V276 I279 L280 P291 L296 L311V276-V294 HydrophobicContact CG1-CB 4.03Å; V276-V294 HydrophobicContact CG1-CG1 4.07Å; I279-V294 HydrophobicContact CD1-CG1 4.36Å; I279-V294 HydrophobicContact CG2-CG1 4.01Å; L280-V294 HydrophobicContact CD2-CG2 3.82Å; P291-V294 PolarHBondContact O-N 3.36Å; V294-L296 PolarHBondContact O-N 3.01Å; V294-L311 HydrophobicContact CG2-CD1 4.46Å
295R86.9Confident81.2Confident135 Ų13579 Ų7951%0.50942%0.418SS..EExtended strand (participates in β ladder)trans-96.485.5175.7-57.9-178.6-168.2-118.33.5110.2I297 A309 F310R295-I297 PolarHBondContact O-N 3.18Å; R295-A309 WeakPolarHBondContact O-CA 3.3Å; R295-F310 HydrophobicContact CB-CB 4.33Å; R295-F310 PolarHBondContact N-O 3.2Å; R295-F310 PolarHBondContact O-N 3.43Å
296L88.5Confident81.4Confident25 Ų2581.7 Ų81.713%0.13142%0.415CS..EExtended strand (participates in β ladder)trans-71.8118.2175.1178.857.6000110.9L270 V276 I279 V294 K298 N305 A309L270-L296 HydrophobicContact CD1-CD1 3.83Å; V276-L296 HydrophobicContact CG2-CB 3.88Å; V276-L296 HydrophobicContact CG2-CD2 3.76Å; I279-L296 HydrophobicContact CD1-CD1 4.07Å; I279-L296 HydrophobicContact CD1-CD2 4.4Å; V294-L296 PolarHBondContact O-N 3.01Å; L296-K298 PolarHBondContact O-N 3.49Å; L296-N305 HydrophobicContact CD1-CB 4.22Å; L296-N305 WeakPolarHBondContact CD2-OD1 3.47Å; L296-A309 HydrophobicContact CB-CB 4.37Å; L296-A309 HydrophobicContact CD1-CB 3.98Å
297I88.7Confident81.5Confident56 Ų5679.4 Ų79.429%0.28741%0.411SS..EExtended strand (participates in β ladder)trans-86.3115-178.3-56.8-51.6000109.9R295 R306 F308 F310R295-I297 PolarHBondContact O-N 3.18Å; I297-R306 HydrophobicContact CG2-CB 4.13Å; I297-R306 WeakPolarHBondContact O-CB 3.21Å; I297-R306 PolarHBondContact O-N 2.86Å; I297-F308 HydrophobicContact CB-CD2 4.18Å; I297-F308 HydrophobicContact CB-CE2 3.86Å; I297-F308 HydrophobicContact CB-CZ 4.27Å; I297-F308 HydrophobicContact CG1-CD2 4Å; I297-F308 HydrophobicContact CG1-CE2 3.67Å; I297-F308 HydrophobicContact CG1-CZ 4.48Å; I297-F308 HydrophobicContact CG2-CE2 4.05Å; I297-F308 HydrophobicContact CG2-CZ 4.03Å; I297-F308 PolarHBondContact N-O 2.97Å; I297-F310 HydrophobicContact CD1-CD2 4.18Å; I297-F310 HydrophobicContact CD1-CE2 4.31Å; I297-F310 HydrophobicContact CG1-CD2 3.98Å; I297-F310 HydrophobicContact CG1-CE2 3.92Å
298K86.6Confident82Confident117 Ų11781 Ų8151%0.50941%0.414SS..EExtended strand (participates in β ladder)trans-100.1147.9174.2-66.4179.6172.2-167.40110.7L296 H303 L304 N305L296-K298 PolarHBondContact O-N 3.49Å; K298-H303 WeakPolarHBondContact CD-O 3.47Å; K298-L304 CarbonylContact C-O 3.45Å; K298-L304 VanDerWaalsContact CA-O 3.32Å; K298-L304 WeakPolarHBondContact CA-O 3.37Å; K298-N305 WeakPolarHBondContact CE-OD1 3.28Å
299D84.5Confident82.7Confident37 Ų3774.1 Ų74.120%0.19837%0.372CS..  trans-72.4144.3170.9168.856.3000111H301 T302 H303 L304D299-H301 PolarHBondContact O-N 2.8Å; D299-H301 IonicContact OD1-ND1 3.85Å; D299-H301 PolarHBondContact OD2-N 2.95Å; D299-H301 VanDerWaalsContact OD2-N 3.16Å; D299-T302 WeakPolarHBondContact CB-OG1 3.27Å; D299-T302 WeakPolarHBondContact OD2-CB 3.46Å; D299-T302 PolarHBondContact OD2-N 3.12Å; D299-T302 PolarHBondContact OD2-OG1 3.13Å; D299-H303 VanDerWaalsContact O-CA 3.27Å; D299-H303 WeakPolarHBondContact O-CA 3.34Å; D299-H303 PolarHBondContact O-N 2.93Å; D299-L304 PolarHBondContact N-O 3.14Å
300K83.3Confident83.3Confident173 Ų17376 Ų7675%0.75238%0.379SS*.THydrogen-bonded Turntrans-71.6-28.9-174.4-173.1-178.3176.4-172.20113.1
301H81.3Confident84Confident161 Ų16173.1 Ų73.175%0.74536%0.359SS*.THydrogen-bonded Turntrans-97.5-33.9-172-53.9100.5000112.4D299D299-H301 PolarHBondContact O-N 2.8Å; D299-H301 IonicContact OD1-ND1 3.85Å; D299-H301 PolarHBondContact OD2-N 2.95Å; D299-H301 VanDerWaalsContact OD2-N 3.16Å
302T82.3Confident84.8Confident83 Ų8371.8 Ų71.851%0.50935%0.345SS..THydrogen-bonded Turntrans-100.6-15.3-179.358.30000113.9D299 L304D299-T302 WeakPolarHBondContact CB-OG1 3.27Å; D299-T302 WeakPolarHBondContact OD2-CB 3.46Å; D299-T302 PolarHBondContact OD2-N 3.12Å; D299-T302 PolarHBondContact OD2-OG1 3.13Å; T302-L304 PolarHBondContact O-N 2.87Å
303H76.1Confident85.3Confident142 Ų14268.4 Ų68.466%0.65732%0.32SS*.  trans55.13.4-168.9-69.7-79.6000115.8K298 D299K298-H303 WeakPolarHBondContact CD-O 3.47Å; D299-H303 VanDerWaalsContact O-CA 3.27Å; D299-H303 WeakPolarHBondContact O-CA 3.34Å; D299-H303 PolarHBondContact O-N 2.93Å
304L80.9Confident85.3Confident67 Ų6770.4 Ų70.435%0.35134%0.336SS..SBendtrans-75.4159.1172.9-62.4177.2000110.7P272 K298 D299 T302P272-L304 HydrophobicContact CB-CB 4.45Å; P272-L304 HydrophobicContact CB-CD1 4.49Å; K298-L304 CarbonylContact C-O 3.45Å; K298-L304 VanDerWaalsContact CA-O 3.32Å; K298-L304 WeakPolarHBondContact CA-O 3.37Å; D299-L304 PolarHBondContact N-O 3.14Å; T302-L304 PolarHBondContact O-N 2.87Å
305N86.9Confident85.1Confident15 Ų1571 Ų718%0.0834%0.341CS..EExtended strand (participates in β ladder)trans-68.8135.9178.9-55.9-33000111.1G271 P272 T274 L296 K298 G307G271-N305 WeakPolarHBondContact O-CB 3.32Å; G271-N305 PolarHBondContact O-ND2 2.86Å; P272-N305 PolarHBondContact O-N 3.42Å; P272-N305 PolarHBondContact O-ND2 2.99Å; T274-N305 PolarHBondContact N-ND2 3.15Å; T274-N305 VanDerWaalsContact N-ND2 3.16Å; T274-N305 PolarHBondContact O-ND2 2.9Å; L296-N305 HydrophobicContact CD1-CB 4.22Å; L296-N305 WeakPolarHBondContact CD2-OD1 3.47Å; K298-N305 WeakPolarHBondContact CE-OD1 3.28Å; N305-G307 PolarHBondContact O-N 3.35Å
306R80.2Confident85Confident153 Ų15365.6 Ų65.658%0.57732%0.321SS*.EExtended strand (participates in β ladder)trans-75.416178.2-156.4178.5166.881.62.8113.2I297 F308I297-R306 HydrophobicContact CG2-CB 4.13Å; I297-R306 WeakPolarHBondContact O-CB 3.21Å; I297-R306 PolarHBondContact O-N 2.86Å; R306-F308 VanDerWaalsContact C-N 3.3Å; R306-F308 HydrophobicContact CB-CD1 4.32Å; R306-F308 HydrophobicContact CB-CE1 3.96Å; R306-F308 HydrophobicContact CG-CD1 4.41Å; R306-F308 HydrophobicContact CG-CE1 3.71Å; R306-F308 HydrophobicContact CG-CZ 4.37Å; R306-F308 WeakPolarHBondContact O-CD1 3.39Å; R306-F308 PolarHBondContact O-N 2.92Å
307G80.6Confident84.9Confident20 Ų2067.2 Ų67.221%0.20633%0.332CS..EExtended strand (participates in β ladder)trans76.74.4-178.300000115.7R268 N269 L270 N305R268-G307 CarbonylContact C-O 3.45Å; N269-G307 PolarHBondContact N-O 3.14Å; L270-G307 PolarHBondContact N-O 2.92Å; N305-G307 PolarHBondContact O-N 3.35Å
308F88.1Confident84.8Confident54 Ų5467.7 Ų67.724%0.23733%0.333CS..EExtended strand (participates in β ladder)trans-146.3155.3176.964-88.3000114.4I266 L267 R268 I297 R306 F310I266-F308 HydrophobicContact CD1-CB 4.44Å; I266-F308 HydrophobicContact CD1-CD2 4.22Å; I266-F308 HydrophobicContact CG1-CB 4.45Å; L267-F308 CarbonylContact O-C 3.59Å; L267-F308 WeakPolarHBondContact O-CA 3.42Å; L267-F308 WeakPolarHBondContact O-CB 3.43Å; R268-F308 HydrophobicContact CG-CB 4.44Å; I297-F308 HydrophobicContact CB-CD2 4.18Å; I297-F308 HydrophobicContact CB-CE2 3.86Å; I297-F308 HydrophobicContact CB-CZ 4.27Å; I297-F308 HydrophobicContact CG1-CD2 4Å; I297-F308 HydrophobicContact CG1-CE2 3.67Å; I297-F308 HydrophobicContact CG1-CZ 4.48Å; I297-F308 HydrophobicContact CG2-CE2 4.05Å; I297-F308 HydrophobicContact CG2-CZ 4.03Å; I297-F308 PolarHBondContact N-O 2.97Å; R306-F308 VanDerWaalsContact C-N 3.3Å; R306-F308 HydrophobicContact CB-CD1 4.32Å; R306-F308 HydrophobicContact CB-CE1 3.96Å; R306-F308 HydrophobicContact CG-CD1 4.41Å; R306-F308 HydrophobicContact CG-CE1 3.71Å; R306-F308 HydrophobicContact CG-CZ 4.37Å; R306-F308 WeakPolarHBondContact O-CD1 3.39Å; R306-F308 PolarHBondContact O-N 2.92Å; F308-F310 HydrophobicContact CD2-CE2 4.1Å; F308-F310 HydrophobicContact CD2-CZ 4.32Å; F308-F310 AromaticContact CE2-CE2 3.89Å; F308-F310 HydrophobicContact CE2-CE2 3.89Å; F308-F310 HydrophobicContact CE2-CZ 4.17Å
309A89.4Confident84.8Confident0 Ų062.1 Ų62.10%031%0.309CS..EExtended strand (participates in β ladder)trans-138.4150.9174.600000110.3L267 L270 I279 R295 L296L267-A309 HydrophobicContact CB-CB 4.47Å; L267-A309 PolarHBondContact N-O 2.91Å; L267-A309 PolarHBondContact O-N 3.21Å; L270-A309 HydrophobicContact CD1-CB 3.59Å; I279-A309 HydrophobicContact CD1-CB 4.38Å; R295-A309 WeakPolarHBondContact O-CA 3.3Å; L296-A309 HydrophobicContact CB-CB 4.37Å; L296-A309 HydrophobicContact CD1-CB 3.98Å
310F90.8Very high84.9Confident66 Ų6662 Ų6229%0.28931%0.311SS..EExtended strand (participates in β ladder)trans-99139.9169-61.2-80.9000110T264 L265 I266 R295 I297 F308 A345T264-F310 HydrophobicContact CG2-CB 4Å; T264-F310 HydrophobicContact CG2-CD1 4.25Å; L265-F310 WeakPolarHBondContact O-CA 3.41Å; I266-F310 HydrophobicContact CB-CD1 4.18Å; I266-F310 HydrophobicContact CB-CE1 4.22Å; I266-F310 HydrophobicContact CD1-CD1 4.44Å; I266-F310 HydrophobicContact CD1-CE1 3.76Å; I266-F310 HydrophobicContact CD1-CZ 4.1Å; I266-F310 HydrophobicContact CG1-CD1 4.2Å; I266-F310 HydrophobicContact CG1-CE1 4.02Å; R295-F310 HydrophobicContact CB-CB 4.33Å; R295-F310 PolarHBondContact N-O 3.2Å; R295-F310 PolarHBondContact O-N 3.43Å; I297-F310 HydrophobicContact CD1-CD2 4.18Å; I297-F310 HydrophobicContact CD1-CE2 4.31Å; I297-F310 HydrophobicContact CG1-CD2 3.98Å; I297-F310 HydrophobicContact CG1-CE2 3.92Å; F308-F310 HydrophobicContact CD2-CE2 4.1Å; F308-F310 HydrophobicContact CD2-CZ 4.32Å; F308-F310 AromaticContact CE2-CE2 3.89Å; F308-F310 HydrophobicContact CE2-CE2 3.89Å; F308-F310 HydrophobicContact CE2-CZ 4.17Å; F310-A345 HydrophobicContact CD1-CB 3.85Å; F310-A345 HydrophobicContact CE1-CB 4.06Å
311L89.9Confident85.1Confident1 Ų159.2 Ų59.21%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-124.5106.6-178.2-177.5149.2000108T264 L265 L267 L283 L289 N293 V294 L313 L322T264-L311 CarbonylContact C-O 3.59Å; T264-L311 VanDerWaalsContact CA-O 3.29Å; T264-L311 WeakPolarHBondContact CA-O 3.27Å; L265-L311 HydrophobicContact CB-CB 4.44Å; L265-L311 HydrophobicContact CB-CD2 4.46Å; L265-L311 HydrophobicContact CD1-CD2 4.37Å; L265-L311 PolarHBondContact N-O 3.25Å; L265-L311 PolarHBondContact O-N 3.08Å; L267-L311 HydrophobicContact CD1-CD1 4.17Å; L283-L311 HydrophobicContact CD1-CD1 3.4Å; L289-L311 HydrophobicContact CD1-CD1 3.72Å; L289-L311 HydrophobicContact CD1-CG 4.48Å; N293-L311 CarbonylContact O-C 3.53Å; N293-L311 WeakPolarHBondContact O-CA 3.36Å; V294-L311 HydrophobicContact CG2-CD1 4.46Å; L311-L313 HydrophobicContact CD2-CD1 3.6Å; L311-L313 HydrophobicContact CD2-CD2 4.24Å; L311-L313 HydrophobicContact CD2-CG 3.69Å; L311-L322 HydrophobicContact CD2-CD2 3.91Å
312Q89.7Confident85.3Confident65 Ų6551.8 Ų51.830%0.30427%0.266SS..EExtended strand (participates in β ladder)trans-97.6121.8-175.2-174.1174.210.100109.9N293N293-Q312 VanDerWaalsContact CB-O 3.3Å; N293-Q312 WeakPolarHBondContact CB-O 3.3Å; N293-Q312 PolarHBondContact O-N 2.97Å
313L86.3Confident85.5Confident16 Ų1648.5 Ų48.58%0.08425%0.246CC..  trans-105.2169.2-178.5-74.8158.6000111.8D263 L265 L289 L311 E318 A319 L322D263-L313 PolarHBondContact O-N 3.37Å; L265-L313 HydrophobicContact CD1-CD1 4.44Å; L289-L313 HydrophobicContact CD2-CD2 3.61Å; L311-L313 HydrophobicContact CD2-CD1 3.6Å; L311-L313 HydrophobicContact CD2-CD2 4.24Å; L311-L313 HydrophobicContact CD2-CG 3.69Å; L313-E318 HydrophobicContact CB-CB 4.2Å; L313-E318 HydrophobicContact CD1-CB 4.32Å; L313-E318 HydrophobicContact CD2-CB 4.33Å; L313-A319 VanDerWaalsContact CD1-CA 3.42Å; L313-A319 HydrophobicContact CD1-CB 3.86Å; L313-L322 HydrophobicContact CD1-CB 4.45Å; L313-L322 HydrophobicContact CD1-CD2 4.06Å
314S83Confident86Confident82 Ų8247 Ų4757%0.57324%0.239SC*.SBendtrans-80.6-29.1-177.191.80000111.9E318 T364S314-E318 WeakPolarHBondContact CA-OE2 3.46Å; S314-E318 WeakPolarHBondContact CB-OE2 3.49Å; S314-E318 PolarHBondContact N-OE2 3.18Å; S314-E318 VanDerWaalsContact OG-CD 3.23Å; S314-E318 PolarHBondContact OG-OE1 3.23Å; S314-E318 PolarHBondContact OG-OE2 3.15Å; S314-T364 PolarHBondContact O-OG1 3.31Å
315T83.4Confident86.2Confident24 Ų2446.6 Ų46.615%0.14724%0.237CC..  trans-132.4152.2174.469.20000113.6V317 E318 A319T315-V317 PolarHBondContact O-N 3.17Å; T315-E318 PolarHBondContact N-OE2 3.47Å; T315-E318 VanDerWaalsContact N-OE2 3.08Å; T315-E318 WeakPolarHBondContact O-CB 3.35Å; T315-E318 PolarHBondContact O-N 3.29Å; T315-E318 VanDerWaalsContact OG1-CG 3.3Å; T315-E318 WeakPolarHBondContact OG1-CG 3.29Å; T315-E318 PolarHBondContact OG1-N 2.88Å; T315-E318 VanDerWaalsContact OG1-N 3.09Å; T315-E318 PolarHBondContact OG1-OE1 3.09Å; T315-A319 PolarHBondContact O-N 3.16Å; T315-A319 VanDerWaalsContact O-N 3.12Å
316I84.8Confident86.1Confident21 Ų2146.3 Ų46.311%0.10824%0.235CC..Hα-helixtrans-65.9-24.6172.1-73.9160.8000111.4A261 D263 A319 S320 T364 T368A261-I316 HydrophobicContact CB-CG2 3.83Å; D263-I316 HydrophobicContact CB-CG1 3.92Å; I316-A319 PolarHBondContact O-N 3.46Å; I316-S320 WeakPolarHBondContact O-CB 3.3Å; I316-S320 PolarHBondContact O-N 2.93Å; I316-S320 PolarHBondContact O-OG 2.9Å; I316-T364 HydrophobicContact CD1-CG2 4.45Å; I316-T368 HydrophobicContact CD1-CG2 4.02Å; I316-T368 WeakPolarHBondContact CD1-OG1 3.45Å
317V86.1Confident86.2Confident58 Ų5844.6 Ų44.635%0.35223%0.233SC..Hα-helixtrans-69.7-47.4173.1167.80000110.8T315 A319 S320 Q321T315-V317 PolarHBondContact O-N 3.17Å; V317-A319 VanDerWaalsContact C-N 3.27Å; V317-A319 PolarHBondContact O-N 3.15Å; V317-S320 PolarHBondContact O-N 3.32Å; V317-S320 PolarHBondContact O-OG 2.85Å; V317-Q321 WeakPolarHBondContact O-CB 3.38Å; V317-Q321 PolarHBondContact O-N 2.83Å
318E86.4Confident86.2Confident67 Ų6746.9 Ų46.931%0.31325%0.25SC..Hα-helixtrans-54.3-43.7170.6-75.7147.6-139.900111.7L313 S314 T315 Q321 L322L313-E318 HydrophobicContact CB-CB 4.2Å; L313-E318 HydrophobicContact CD1-CB 4.32Å; L313-E318 HydrophobicContact CD2-CB 4.33Å; S314-E318 WeakPolarHBondContact CA-OE2 3.46Å; S314-E318 WeakPolarHBondContact CB-OE2 3.49Å; S314-E318 PolarHBondContact N-OE2 3.18Å; S314-E318 VanDerWaalsContact OG-CD 3.23Å; S314-E318 PolarHBondContact OG-OE1 3.23Å; S314-E318 PolarHBondContact OG-OE2 3.15Å; T315-E318 PolarHBondContact N-OE2 3.47Å; T315-E318 VanDerWaalsContact N-OE2 3.08Å; T315-E318 WeakPolarHBondContact O-CB 3.35Å; T315-E318 PolarHBondContact O-N 3.29Å; T315-E318 VanDerWaalsContact OG1-CG 3.3Å; T315-E318 WeakPolarHBondContact OG1-CG 3.29Å; T315-E318 PolarHBondContact OG1-N 2.88Å; T315-E318 VanDerWaalsContact OG1-N 3.09Å; T315-E318 PolarHBondContact OG1-OE1 3.09Å; E318-Q321 PolarHBondContact O-N 3.35Å; E318-L322 VanDerWaalsContact O-CB 3.31Å; E318-L322 WeakPolarHBondContact O-CB 3.23Å; E318-L322 PolarHBondContact O-N 3.47Å
319A86.1Confident85.7Confident0 Ų046.6 Ų46.60%025%0.251CS..Hα-helixtrans-62.4-45.817800000112.2N262 L265 L313 T315 I316 V317 L323 F344N262-A319 WeakPolarHBondContact O-CB 3.49Å; L265-A319 HydrophobicContact CD2-CB 4.19Å; L265-A319 HydrophobicContact CG-CB 4.31Å; L313-A319 VanDerWaalsContact CD1-CA 3.42Å; L313-A319 HydrophobicContact CD1-CB 3.86Å; T315-A319 PolarHBondContact O-N 3.16Å; T315-A319 VanDerWaalsContact O-N 3.12Å; I316-A319 PolarHBondContact O-N 3.46Å; V317-A319 VanDerWaalsContact C-N 3.27Å; V317-A319 PolarHBondContact O-N 3.15Å; A319-L323 VanDerWaalsContact O-CB 3.25Å; A319-L323 WeakPolarHBondContact O-CB 3.43Å; A319-L323 PolarHBondContact O-N 3.41Å; A319-F344 HydrophobicContact CB-CE1 4.03Å
320S86.9Confident84.1Confident34 Ų3455.5 Ų55.524%0.23829%0.292CS..Hα-helixtrans-66-37.917670.30000113I316 V317 Q324I316-S320 WeakPolarHBondContact O-CB 3.3Å; I316-S320 PolarHBondContact O-N 2.93Å; I316-S320 PolarHBondContact O-OG 2.9Å; V317-S320 PolarHBondContact O-N 3.32Å; V317-S320 PolarHBondContact O-OG 2.85Å; S320-Q324 VanDerWaalsContact O-CB 3.24Å; S320-Q324 WeakPolarHBondContact O-CB 3.21Å; S320-Q324 PolarHBondContact O-N 3.39Å
321Q87.6Confident83Confident115 Ų11557.7 Ų57.754%0.53731%0.313SS..Hα-helixtrans-69-46.4178.8-174.2178.714.400111.2V317 E318 Q324 I325V317-Q321 WeakPolarHBondContact O-CB 3.38Å; V317-Q321 PolarHBondContact O-N 2.83Å; E318-Q321 PolarHBondContact O-N 3.35Å; Q321-Q324 PolarHBondContact O-N 3.33Å; Q321-I325 HydrophobicContact CG-CD1 3.92Å; Q321-I325 WeakPolarHBondContact O-CB 3.09Å; Q321-I325 VanDerWaalsContact O-CG1 3.25Å; Q321-I325 WeakPolarHBondContact O-CG1 3.21Å; Q321-I325 PolarHBondContact O-N 2.83Å
322L86Confident82.1Confident5 Ų561.3 Ų61.33%0.02634%0.337CS..Hα-helixtrans-64.6-41.9177.3-176.360.7000111L265 F286 A287 L311 L313 E318 I325 L326L265-L322 HydrophobicContact CD1-CB 4.36Å; L265-L322 HydrophobicContact CD1-CD2 4.27Å; L265-L322 HydrophobicContact CD1-CG 4.36Å; F286-L322 HydrophobicContact CB-CD1 3.65Å; A287-L322 HydrophobicContact CB-CD1 4.05Å; A287-L322 HydrophobicContact CB-CD2 4.06Å; L311-L322 HydrophobicContact CD2-CD2 3.91Å; L313-L322 HydrophobicContact CD1-CB 4.45Å; L313-L322 HydrophobicContact CD1-CD2 4.06Å; E318-L322 VanDerWaalsContact O-CB 3.31Å; E318-L322 WeakPolarHBondContact O-CB 3.23Å; E318-L322 PolarHBondContact O-N 3.47Å; L322-I325 PolarHBondContact O-N 2.87Å; L322-L326 HydrophobicContact CD1-CD1 3.9Å; L322-L326 HydrophobicContact CD1-CD2 4.48Å; L322-L326 HydrophobicContact CD1-CG 3.97Å; L322-L326 HydrophobicContact CG-CD1 3.86Å; L322-L326 HydrophobicContact CG-CG 4.31Å; L322-L326 WeakPolarHBondContact O-CB 3.15Å; L322-L326 WeakPolarHBondContact O-CG 3.38Å; L322-L326 PolarHBondContact O-N 2.88Å
323L87.3Confident81.3Confident14 Ų1459.1 Ų59.17%0.07333%0.327CS..Hα-helixtrans-58.8-49.3173.8-176.368000111.4L265 A319 I325 L326 Q327 V342 F344L265-L323 HydrophobicContact CD1-CB 4.28Å; L265-L323 HydrophobicContact CD2-CB 4.18Å; L265-L323 HydrophobicContact CD2-CD1 4.45Å; A319-L323 VanDerWaalsContact O-CB 3.25Å; A319-L323 WeakPolarHBondContact O-CB 3.43Å; A319-L323 PolarHBondContact O-N 3.41Å; L323-I325 PolarHBondContact O-N 2.85Å; L323-L326 PolarHBondContact O-N 3.21Å; L323-Q327 HydrophobicContact CD1-CG 4.35Å; L323-Q327 WeakPolarHBondContact O-CB 3.18Å; L323-Q327 VanDerWaalsContact O-CG 3.31Å; L323-Q327 WeakPolarHBondContact O-CG 3.42Å; L323-Q327 PolarHBondContact O-N 3.23Å; L323-V342 HydrophobicContact CD1-CB 3.88Å; L323-V342 HydrophobicContact CD1-CG1 3.55Å; L323-V342 WeakPolarHBondContact CD1-O 3.18Å; L323-F344 HydrophobicContact CD2-CD2 3.59Å; L323-F344 HydrophobicContact CD2-CE1 4.47Å; L323-F344 HydrophobicContact CD2-CE2 3.32Å; L323-F344 HydrophobicContact CD2-CG 4.29Å; L323-F344 HydrophobicContact CD2-CZ 3.81Å
324Q86.8Confident80.9Confident111 Ų11161.9 Ų61.952%0.51935%0.348SS..Hα-helixtrans-62.9-39.6-179.8-174.763.360.800112.5S320 Q321 A328S320-Q324 VanDerWaalsContact O-CB 3.24Å; S320-Q324 WeakPolarHBondContact O-CB 3.21Å; S320-Q324 PolarHBondContact O-N 3.39Å; Q321-Q324 PolarHBondContact O-N 3.33Å; Q324-A328 VanDerWaalsContact O-CB 3.25Å; Q324-A328 WeakPolarHBondContact O-CB 3.47Å; Q324-A328 PolarHBondContact O-N 2.96Å; Q324-A328 VanDerWaalsContact O-N 3.12Å
325I85.1Confident80.7Confident58 Ų5858.5 Ų58.530%0.29732%0.323SS..Hα-helixtrans-63.6-53.8174.2-71.7166.5000109.8F286 Q321 L322 L323 Q327 A328 L329F286-I325 HydrophobicContact CB-CG2 4.25Å; F286-I325 HydrophobicContact CD1-CG2 3.63Å; F286-I325 HydrophobicContact CE1-CG2 4.28Å; F286-I325 HydrophobicContact CG-CG2 4.07Å; Q321-I325 HydrophobicContact CG-CD1 3.92Å; Q321-I325 WeakPolarHBondContact O-CB 3.09Å; Q321-I325 VanDerWaalsContact O-CG1 3.25Å; Q321-I325 WeakPolarHBondContact O-CG1 3.21Å; Q321-I325 PolarHBondContact O-N 2.83Å; L322-I325 PolarHBondContact O-N 2.87Å; L323-I325 PolarHBondContact O-N 2.85Å; I325-Q327 VanDerWaalsContact C-N 3.27Å; I325-Q327 PolarHBondContact O-N 3.5Å; I325-A328 PolarHBondContact O-N 3.04Å; I325-L329 WeakPolarHBondContact O-CG 3.3Å; I325-L329 PolarHBondContact O-N 2.91Å; I325-L329 VanDerWaalsContact O-N 3.15Å
326L82.8Confident80.1Confident8 Ų862.1 Ų62.14%0.04234%0.342CS..Hα-helixtrans-65.2-28.5-175.6-66.4177.9000113.4L283 F286 L322 L323 L329 L333 V342L283-L326 HydrophobicContact CD2-CD1 3.64Å; L283-L326 HydrophobicContact CD2-CD2 3.89Å; L283-L326 HydrophobicContact CD2-CG 4.4Å; F286-L326 HydrophobicContact CD2-CD2 3.7Å; F286-L326 HydrophobicContact CE2-CD2 4.17Å; F286-L326 HydrophobicContact CG-CD2 4.21Å; L322-L326 HydrophobicContact CD1-CD1 3.9Å; L322-L326 HydrophobicContact CD1-CD2 4.48Å; L322-L326 HydrophobicContact CD1-CG 3.97Å; L322-L326 HydrophobicContact CG-CD1 3.86Å; L322-L326 HydrophobicContact CG-CG 4.31Å; L322-L326 WeakPolarHBondContact O-CB 3.15Å; L322-L326 WeakPolarHBondContact O-CG 3.38Å; L322-L326 PolarHBondContact O-N 2.88Å; L323-L326 PolarHBondContact O-N 3.21Å; L326-L329 HydrophobicContact CD2-CD1 3.79Å; L326-L333 HydrophobicContact CD2-CB 4.46Å; L326-L333 HydrophobicContact CD2-CD1 4.35Å; L326-L333 HydrophobicContact CD2-CD2 4.04Å; L326-V342 HydrophobicContact CB-CG2 4.24Å; L326-V342 HydrophobicContact CD1-CG1 4.33Å; L326-V342 HydrophobicContact CD1-CG2 4.02Å
327Q83.9Confident79.4Confident118 Ų11864.8 Ų64.855%0.55137%0.374SS*.Hα-helixtrans-78.1-23.7171.7-71.1179.9-4.800113.4L323 I325 V342L323-Q327 HydrophobicContact CD1-CG 4.35Å; L323-Q327 WeakPolarHBondContact O-CB 3.18Å; L323-Q327 VanDerWaalsContact O-CG 3.31Å; L323-Q327 WeakPolarHBondContact O-CG 3.42Å; L323-Q327 PolarHBondContact O-N 3.23Å; I325-Q327 VanDerWaalsContact C-N 3.27Å; I325-Q327 PolarHBondContact O-N 3.5Å; Q327-V342 PolarHBondContact NE2-O 3.25Å
328A80.6Confident78.9Confident67 Ų6766 Ų6655%0.55438%0.375SS*.Hα-helixtrans-86.1-12.517700000113.9Q324 I325 Q330Q324-A328 VanDerWaalsContact O-CB 3.25Å; Q324-A328 WeakPolarHBondContact O-CB 3.47Å; Q324-A328 PolarHBondContact O-N 2.96Å; Q324-A328 VanDerWaalsContact O-N 3.12Å; I325-A328 PolarHBondContact O-N 3.04Å; A328-Q330 PolarHBondContact O-N 3.27Å
329L76.3Confident78.7Confident48 Ų4865 Ų6525%0.25138%0.378SS..  trans-65.9125.5177.1-68.3176000111.8F286 I325 L326 P331 P332 L333F286-L329 HydrophobicContact CD2-CD1 4.37Å; F286-L329 HydrophobicContact CE1-CD1 4.09Å; F286-L329 HydrophobicContact CE1-CD2 3.87Å; F286-L329 HydrophobicContact CE2-CD1 3.66Å; F286-L329 HydrophobicContact CZ-CD1 3.49Å; F286-L329 VanDerWaalsContact CZ-CD1 3.49Å; F286-L329 HydrophobicContact CZ-CD2 3.85Å; F286-L329 HydrophobicContact CZ-CG 4.31Å; I325-L329 WeakPolarHBondContact O-CG 3.3Å; I325-L329 PolarHBondContact O-N 2.91Å; I325-L329 VanDerWaalsContact O-N 3.15Å; L326-L329 HydrophobicContact CD2-CD1 3.79Å; L329-P331 CarbonylContact C-O 3.37Å; L329-P331 CarbonylContact O-C 3.42Å; L329-P332 WeakPolarHBondContact O-CA 3.47Å; L329-L333 HydrophobicContact CD1-CD1 4.5Å
330Q55.7Low78.7Confident187 Ų18765.7 Ų65.787%0.87438%0.382SS*.SBendtrans-121.9116.3167.1-63.8-174.510.300108.3A328A328-Q330 PolarHBondContact O-N 3.27Å
331P67.8Low78.6Confident112 Ų11267.8 Ų67.873%0.72739%0.393SS*.SBendcis-66.6157.4-1.930.8-36.8000113.3L329L329-P331 CarbonylContact C-O 3.37Å; L329-P331 CarbonylContact O-C 3.42Å
332P71.3Confident78.6Confident78 Ų7863 Ų6351%0.50637%0.371SS..PPolyproline II helixtrans-63.1149.7177.227.7-35.9000111.4L329 S334 A339L329-P332 WeakPolarHBondContact O-CA 3.47Å; P332-S334 PolarHBondContact O-N 2.87Å; P332-S334 VanDerWaalsContact O-N 3.11Å; P332-A339 HydrophobicContact CG-CB 4.46Å
333L73.8Confident78.7Confident19 Ų1964.9 Ų64.910%0.09938%0.38CS..PPolyproline II helixtrans-53.5117.4-176.3-173.177.8000111.5A282 L283 F286 L326 L329 I340A282-L333 HydrophobicContact CB-CD1 4.42Å; L283-L333 HydrophobicContact CD2-CD2 3.65Å; F286-L333 HydrophobicContact CE2-CD1 4.21Å; L326-L333 HydrophobicContact CD2-CB 4.46Å; L326-L333 HydrophobicContact CD2-CD1 4.35Å; L326-L333 HydrophobicContact CD2-CD2 4.04Å; L329-L333 HydrophobicContact CD1-CD1 4.5Å; L333-I340 HydrophobicContact CD2-CD1 4.33Å; L333-I340 PolarHBondContact O-N 2.93Å
334S77.4Confident78.7Confident74 Ų7465.1 Ų65.152%0.51738%0.381SS..EExtended strand (participates in β ladder)trans-117131.517665.60000112P332 K338P332-S334 PolarHBondContact O-N 2.87Å; P332-S334 VanDerWaalsContact O-N 3.11Å; S334-K338 CarbonylContact C-O 3.58Å; S334-K338 WeakPolarHBondContact CA-O 3.45Å
335I79.6Confident78.5Confident11 Ų1160.5 Ų60.56%0.05636%0.362CS..EExtended strand (participates in β ladder)trans-121.4137.4171.1-52.7-176.9000107.7T274 A278 I279 A282 G337 K338 I340T274-I335 HydrophobicContact CG2-CG2 3.65Å; A278-I335 HydrophobicContact CB-CG2 4.11Å; I279-I335 HydrophobicContact CG1-CD1 4.32Å; A282-I335 HydrophobicContact CB-CD1 3.38Å; A282-I335 HydrophobicContact CB-CG1 3.61Å; I335-G337 PolarHBondContact O-N 3.2Å; I335-G337 VanDerWaalsContact O-N 3.12Å; I335-K338 PolarHBondContact N-O 2.96Å; I335-K338 PolarHBondContact O-N 2.98Å; I335-I340 HydrophobicContact CB-CD1 3.96Å; I335-I340 HydrophobicContact CD1-CD1 3.4Å; I335-I340 HydrophobicContact CG1-CD1 3.49Å; I335-I340 VanDerWaalsContact CG1-CD1 3.49Å
336D70.3Confident78Confident99 Ų9964.4 Ų64.453%0.52938%0.376SS..THydrogen-bonded Turntrans50.435.1-175-50.6-31.1000113.6T274 K338T274-D336 WeakPolarHBondContact CA-OD2 3.49Å; T274-D336 WeakPolarHBondContact CB-OD2 3.43Å; T274-D336 WeakPolarHBondContact CG2-OD2 3.45Å; T274-D336 PolarHBondContact OG1-OD2 3.23Å; D336-K338 VanDerWaalsContact C-N 3.27Å; D336-K338 PolarHBondContact O-N 2.54Å
337G68.9Low76.6Confident77 Ų7766.2 Ų66.279%0.79440%0.397SS*.THydrogen-bonded Turntrans74.35.7-177.600000115.5I335I335-G337 PolarHBondContact O-N 3.2Å; I335-G337 VanDerWaalsContact O-N 3.12Å
338K77.1Confident74.5Confident83 Ų8365.2 Ų65.236%0.36140%0.403SS..EExtended strand (participates in β ladder)trans-106.6126.9176.6-61.3-168.6179.7-168.40111.5S334 I335 D336 I340S334-K338 CarbonylContact C-O 3.58Å; S334-K338 WeakPolarHBondContact CA-O 3.45Å; I335-K338 PolarHBondContact N-O 2.96Å; I335-K338 PolarHBondContact O-N 2.98Å; D336-K338 VanDerWaalsContact C-N 3.27Å; D336-K338 PolarHBondContact O-N 2.54Å; K338-I340 PolarHBondContact O-N 3.36Å
339A81.9Confident72.7Confident47 Ų4771 Ų7139%0.38842%0.416SS..EExtended strand (participates in β ladder)trans-67.4124.4171.400000110.6N269 P332N269-A339 PolarHBondContact ND2-O 2.67Å; P332-A339 HydrophobicContact CG-CB 4.46Å
340I86.6Confident70.9Confident14 Ų1477.1 Ų77.17%0.07244%0.436CS..PPolyproline II helixtrans-86141.7-179.7-68177.6000109.8L267 R268 L270 L333 I335 K338 V342L267-I340 HydrophobicContact CB-CG2 4.2Å; L267-I340 HydrophobicContact CD2-CG2 4.14Å; R268-I340 WeakPolarHBondContact O-CA 3.31Å; R268-I340 WeakPolarHBondContact O-CG2 3.14Å; L270-I340 HydrophobicContact CD2-CD1 3.52Å; L270-I340 HydrophobicContact CD2-CG1 4.15Å; L333-I340 HydrophobicContact CD2-CD1 4.33Å; L333-I340 PolarHBondContact O-N 2.93Å; I335-I340 HydrophobicContact CB-CD1 3.96Å; I335-I340 HydrophobicContact CD1-CD1 3.4Å; I335-I340 HydrophobicContact CG1-CD1 3.49Å; I335-I340 VanDerWaalsContact CG1-CD1 3.49Å; K338-I340 PolarHBondContact O-N 3.36Å; I340-V342 HydrophobicContact CG2-CG2 3.98Å
341V84.5Confident69.8Low78 Ų7875 Ų7547%0.47343%0.431SS..EExtended strand (participates in β ladder)trans-99.1126.1167.2179.30000108.4R268R268-V341 HydrophobicContact CB-CB 4.33Å; R268-V341 PolarHBondContact N-O 2.91Å; R268-V341 PolarHBondContact O-N 3.03Å
342V87.3Confident68.2Low14 Ų1473.7 Ų73.79%0.08542%0.42CS..EExtended strand (participates in β ladder)trans-112.3127.9178.1-164.80000108.8L265 L267 L323 L326 Q327 I340L265-V342 HydrophobicContact CB-CG1 4.43Å; L265-V342 HydrophobicContact CD1-CG1 4.08Å; L267-V342 HydrophobicContact CD2-CG1 4.04Å; L267-V342 HydrophobicContact CD2-CG2 3.91Å; L323-V342 HydrophobicContact CD1-CB 3.88Å; L323-V342 HydrophobicContact CD1-CG1 3.55Å; L323-V342 WeakPolarHBondContact CD1-O 3.18Å; L326-V342 HydrophobicContact CB-CG2 4.24Å; L326-V342 HydrophobicContact CD1-CG1 4.33Å; L326-V342 HydrophobicContact CD1-CG2 4.02Å; Q327-V342 PolarHBondContact NE2-O 3.25Å; I340-V342 HydrophobicContact CG2-CG2 3.98Å
343E88Confident66.3Low46 Ų4679.7 Ų79.722%0.21544%0.439CS..EExtended strand (participates in β ladder)trans-142.7160.8-176.4-167.9179.8117.300108.1L265 I266 R268L265-E343 WeakPolarHBondContact CA-O 3.27Å; I266-E343 HydrophobicContact CG2-CB 3.97Å; I266-E343 PolarHBondContact N-O 3.39Å; I266-E343 PolarHBondContact O-N 3.35Å; R268-E343 IonicContact CZ-OE1 2.75Å; R268-E343 IonicContact CZ-OE2 3.4Å; R268-E343 VanDerWaalsContact CZ-OE2 3.28Å; R268-E343 VanDerWaalsContact NH1-CD 3.34Å; R268-E343 IonicContact NH1-OE1 3.99Å; R268-E343 PolarHBondContact NH1-OE1 2.88Å; R268-E343 IonicContact NH1-OE2 3.36Å; R268-E343 PolarHBondContact NH1-OE2 3.31Å; R268-E343 IonicContact NH2-OE1 2.67Å; R268-E343 PolarHBondContact NH2-OE1 3.1Å; R268-E343 IonicContact NH2-OE2 2.67Å; R268-E343 PolarHBondContact NH2-OE2 3.06Å
344F86.7Confident64.5Low18 Ų1883.6 Ų83.68%0.07946%0.463CS..EExtended strand (participates in β ladder)trans-67.5146.3167.5-72-78.8000109.7D259 A261 N262 L265 A319 L323 K346D259-F344 HydrophobicContact CB-CD2 4.45Å; D259-F344 WeakPolarHBondContact OD2-CB 3.08Å; D259-F344 WeakPolarHBondContact OD2-CD2 3.46Å; D259-F344 PolarHBondContact OD2-N 3.43Å; A261-F344 HydrophobicContact CB-CZ 4.32Å; N262-F344 HydrophobicContact CB-CD1 4.29Å; N262-F344 WeakPolarHBondContact O-CD1 3.43Å; N262-F344 WeakPolarHBondContact O-CE1 3.45Å; L265-F344 HydrophobicContact CD2-CD1 3.49Å; L265-F344 VanDerWaalsContact CD2-CD1 3.49Å; L265-F344 HydrophobicContact CD2-CE1 3.78Å; L265-F344 HydrophobicContact CD2-CG 4.13Å; A319-F344 HydrophobicContact CB-CE1 4.03Å; L323-F344 HydrophobicContact CD2-CD2 3.59Å; L323-F344 HydrophobicContact CD2-CE1 4.47Å; L323-F344 HydrophobicContact CD2-CE2 3.32Å; L323-F344 HydrophobicContact CD2-CG 4.29Å; L323-F344 HydrophobicContact CD2-CZ 3.81Å; F344-K346 VanDerWaalsContact C-N 3.33Å; F344-K346 PolarHBondContact O-N 2.97Å
345A82.8Confident62.5Low15 Ų1586.2 Ų86.212%0.12448%0.476CS..  trans-75.589.7173.500000109T264 I266 F310 G347T264-A345 HydrophobicContact CG2-CB 3.73Å; T264-A345 VanDerWaalsContact O-CB 3.23Å; T264-A345 WeakPolarHBondContact O-CB 3.34Å; T264-A345 PolarHBondContact O-N 3.23Å; I266-A345 HydrophobicContact CB-CB 4.22Å; F310-A345 HydrophobicContact CD1-CB 3.85Å; F310-A345 HydrophobicContact CE1-CB 4.06Å; A345-G347 WeakPolarHBondContact O-CA 3.27Å; A345-G347 PolarHBondContact O-N 2.88Å
346K74.3Confident60.2Low139 Ų13994.8 Ų94.860%0.60452%0.516SS*.  trans-42.9106.4179.7-171.9162-169.1150.20111.4F344 S348F344-K346 VanDerWaalsContact C-N 3.33Å; F344-K346 PolarHBondContact O-N 2.97Å; K346-S348 PolarHBondContact O-N 2.79Å; K346-S348 VanDerWaalsContact O-N 3.15Å
347G53.4Low58.5Low46 Ų4694 Ų9447%0.47453%0.53SS..  trans-55.2116.1-159.700000113.9A345 K349A345-G347 WeakPolarHBondContact O-CA 3.27Å; A345-G347 PolarHBondContact O-N 2.88Å; G347-K349 PolarHBondContact O-N 3.37Å
348S41.4Very low57.1Low98 Ų9895 Ų9569%0.68553%0.525SS*.  trans-58127.5155.6176.10000107.5K346 R350K346-S348 PolarHBondContact O-N 2.79Å; K346-S348 VanDerWaalsContact O-N 3.15Å; S348-R350 WeakPolarHBondContact O-CG 3.25Å; S348-R350 PolarHBondContact O-N 2.83Å
349K42.3Very low55.6Low189 Ų189102.3 Ų102.382%0.82255%0.551SS**  trans-73.476173.5-171.4-161.1171.5-157.90108.5G347 D351G347-K349 PolarHBondContact O-N 3.37Å; K349-D351 PolarHBondContact O-N 2.85Å
350R37.5Very low54.1Low175 Ų175105.4 Ų105.466%0.6657%0.565SS**  trans-73.6109.4-179.4-55.8176.388.4177.96.4108.6S348 V352S348-R350 WeakPolarHBondContact O-CG 3.25Å; S348-R350 PolarHBondContact O-N 2.83Å; R350-V352 HydrophobicContact CB-CG2 3.43Å; R350-V352 VanDerWaalsContact CB-CG2 3.43Å; R350-V352 HydrophobicContact CG-CG2 4.49Å; R350-V352 PolarHBondContact O-N 3.33Å
351D33.6Very low52Low144 Ų144107.7 Ų107.777%0.7758%0.582SS**  trans-67.587.4152.5-99.5-65.2000107K349 F353K349-D351 PolarHBondContact O-N 2.85Å; D351-F353 PolarHBondContact O-N 3.2Å
352V32.9Very low50.1Low84 Ų84107.9 Ų107.951%0.50959%0.592SS.*  trans-81.4105.6179.3-173.30000107.9R350 V354R350-V352 HydrophobicContact CB-CG2 3.43Å; R350-V352 VanDerWaalsContact CB-CG2 3.43Å; R350-V352 HydrophobicContact CG-CG2 4.49Å; R350-V352 PolarHBondContact O-N 3.33Å; V352-V354 VanDerWaalsContact C-N 3.28Å; V352-V354 HydrophobicContact CB-CG2 4.24Å; V352-V354 HydrophobicContact CG1-CG2 3.85Å; V352-V354 PolarHBondContact O-N 2.8Å
353F32.2Very low48Very low204 Ų204109.8 Ų109.890%0.89561%0.609SS**  trans-58.5100.2148.6-83-97.5000107.1D351 T355D351-F353 PolarHBondContact O-N 3.2Å; F353-T355 PolarHBondContact O-N 3.38Å; F353-T355 VanDerWaalsContact O-N 3.09Å
354V36.5Very low46.9Very low100 Ų100108.4 Ų108.461%0.60660%0.603SS**  trans-73.9101.8-178.7177.80000108V352V352-V354 VanDerWaalsContact C-N 3.28Å; V352-V354 HydrophobicContact CB-CG2 4.24Å; V352-V354 HydrophobicContact CG1-CG2 3.85Å; V352-V354 PolarHBondContact O-N 2.8Å
355T34.7Very low45.7Very low129 Ų129112 Ų11279%0.79163%0.626SS**  trans-59.6134.6157.836.20000108.8F353 G357F353-T355 PolarHBondContact O-N 3.38Å; F353-T355 VanDerWaalsContact O-N 3.09Å; T355-G357 PolarHBondContact O-N 2.99Å
356E30.6Very low43.9Very low192 Ų192113.5 Ų113.590%0.89764%0.639SS**THydrogen-bonded Turntrans-58.1127.8-172.8-72.7178.610100111.7
357G36.1Very low42.8Very low81 Ų81108.4 Ų108.484%0.83562%0.621SS**THydrogen-bonded Turntrans165.3-43.6175.400000115T355T355-G357 PolarHBondContact O-N 2.99Å
358S38.6Very low43.7Very low98 Ų98108.4 Ų108.469%0.68561%0.612SS**  trans-117.8109.6-175.9-168.60000112.8
359R46Very low44.2Very low238 Ų238106.7 Ų106.790%0.89860%0.604SS**  trans-92.1115.9169.7-67.8-178.4177.3-178.7-0.3108.6S361R359-S361 PolarHBondContact O-N 2.7Å
360V49.7Very low45.3Very low112 Ų112102.4 Ų102.468%0.67959%0.589SS**  trans-56.9122.1173.2-179.60000108.8T364 V365V360-T364 HydrophobicContact CG1-CG2 4.38Å; V360-V365 HydrophobicContact CG1-CG2 4.24Å
361S42.5Very low46.3Very low61 Ų6194.6 Ų94.643%0.42756%0.562SS.*  trans-67.9143.6-176.1-177.40000111.2R359 A363 T364 V365R359-S361 PolarHBondContact O-N 2.7Å; S361-A363 PolarHBondContact O-N 2.73Å; S361-A363 WeakPolarHBondContact OG-CB 3.43Å; S361-A363 PolarHBondContact OG-N 2.7Å; S361-T364 WeakPolarHBondContact O-CB 3.09Å; S361-T364 PolarHBondContact O-N 2.83Å; S361-V365 PolarHBondContact O-N 3.03Å
362A44.5Very low47.6Very low83 Ų8390.6 Ų90.669%0.68655%0.549SS*.Hα-helixtrans-57.5-28.4168.700000111.6V365 A366A362-V365 PolarHBondContact O-N 2.88Å; A362-A366 WeakPolarHBondContact O-CB 3.42Å; A362-A366 PolarHBondContact O-N 2.95Å
363A44.4Very low48.7Very low53 Ų5389.1 Ų89.144%0.43855%0.545SS..Hα-helixtrans-63-42.817100000111.9S361 V365 A366 S367S361-A363 PolarHBondContact O-N 2.73Å; S361-A363 WeakPolarHBondContact OG-CB 3.43Å; S361-A363 PolarHBondContact OG-N 2.7Å; A363-V365 VanDerWaalsContact C-N 3.34Å; A363-V365 PolarHBondContact O-N 3.34Å; A363-A366 PolarHBondContact O-N 2.71Å; A363-S367 VanDerWaalsContact O-CB 3.22Å; A363-S367 WeakPolarHBondContact O-CB 3.46Å; A363-S367 PolarHBondContact O-N 2.54Å; A363-S367 PolarHBondContact O-OG 3.09Å
364T63.5Low50Low17 Ų1785.5 Ų85.510%0.10453%0.531CS..Hα-helixtrans-61.7-43177.2-46.50000111.1S314 I316 V360 S361 T368S314-T364 PolarHBondContact O-OG1 3.31Å; I316-T364 HydrophobicContact CD1-CG2 4.45Å; V360-T364 HydrophobicContact CG1-CG2 4.38Å; S361-T364 WeakPolarHBondContact O-CB 3.09Å; S361-T364 PolarHBondContact O-N 2.83Å; T364-T368 PolarHBondContact O-N 2.96Å; T364-T368 PolarHBondContact O-OG1 3.06Å
365V62.8Low50.8Low93 Ų9388.3 Ų88.356%0.56453%0.531SS*.Hα-helixtrans-64.8-46.6176.7-178.40000111.4V360 S361 A362 A363 T368 A369V360-V365 HydrophobicContact CG1-CG2 4.24Å; S361-V365 PolarHBondContact O-N 3.03Å; A362-V365 PolarHBondContact O-N 2.88Å; A363-V365 VanDerWaalsContact C-N 3.34Å; A363-V365 PolarHBondContact O-N 3.34Å; V365-T368 PolarHBondContact O-N 3.21Å; V365-A369 PolarHBondContact O-N 3.45Å; V365-A369 VanDerWaalsContact O-N 3.13Å
366A44.1Very low51.5Low48 Ų4885.2 Ų85.240%0.39752%0.518SS..Hα-helixtrans-62.9-45.8177.500000112.2A362 A363 T368 A369 I370A362-A366 WeakPolarHBondContact O-CB 3.42Å; A362-A366 PolarHBondContact O-N 2.95Å; A363-A366 PolarHBondContact O-N 2.71Å; A366-T368 VanDerWaalsContact C-N 3.29Å; A366-T368 PolarHBondContact O-N 3.43Å; A366-A369 PolarHBondContact O-N 2.8Å; A366-A369 VanDerWaalsContact O-N 3.14Å; A366-I370 VanDerWaalsContact O-CG1 3.3Å; A366-I370 WeakPolarHBondContact O-CG1 3.42Å; A366-I370 PolarHBondContact O-N 3.45Å
367S51.7Low52.3Low32 Ų3281.9 Ų81.922%0.22451%0.505CS..Hα-helixtrans-60.3-37.2176.6-70.20000112.6A363 I370 A371A363-S367 VanDerWaalsContact O-CB 3.22Å; A363-S367 WeakPolarHBondContact O-CB 3.46Å; A363-S367 PolarHBondContact O-N 2.54Å; A363-S367 PolarHBondContact O-OG 3.09Å; S367-I370 PolarHBondContact O-N 3.15Å; S367-A371 VanDerWaalsContact O-CB 3.3Å; S367-A371 WeakPolarHBondContact O-CB 3.49Å; S367-A371 PolarHBondContact O-N 2.79Å
368T71.5Confident53Low46 Ų4681.2 Ų81.228%0.28249%0.488SS..Hα-helixtrans-64.8-43.1174.6-50.30000111.3I316 T364 V365 A366 A372I316-T368 HydrophobicContact CD1-CG2 4.02Å; I316-T368 WeakPolarHBondContact CD1-OG1 3.45Å; T364-T368 PolarHBondContact O-N 2.96Å; T364-T368 PolarHBondContact O-OG1 3.06Å; V365-T368 PolarHBondContact O-N 3.21Å; A366-T368 VanDerWaalsContact C-N 3.29Å; A366-T368 PolarHBondContact O-N 3.43Å; T368-A372 WeakPolarHBondContact O-CB 3.4Å; T368-A372 PolarHBondContact O-N 3.16Å
369A52.3Low53.3Low62 Ų6284.4 Ų84.451%0.51249%0.492SS..Hα-helixtrans-67.3-40.3177.500000112.6V365 A366 A373V365-A369 PolarHBondContact O-N 3.45Å; V365-A369 VanDerWaalsContact O-N 3.13Å; A366-A369 PolarHBondContact O-N 2.8Å; A366-A369 VanDerWaalsContact O-N 3.14Å; A369-A373 WeakPolarHBondContact O-CB 3.42Å; A369-A373 PolarHBondContact O-N 3.44Å
370I65.6Low53Low99 Ų9980.1 Ų80.151%0.50849%0.487SS..Hα-helixtrans-65.5-46.4176.8-67.8163.4000110.7A366 S367 A373 Q374A366-I370 VanDerWaalsContact O-CG1 3.3Å; A366-I370 WeakPolarHBondContact O-CG1 3.42Å; A366-I370 PolarHBondContact O-N 3.45Å; S367-I370 PolarHBondContact O-N 3.15Å; I370-A373 PolarHBondContact O-N 3.24Å; I370-Q374 WeakPolarHBondContact O-CG 3.33Å; I370-Q374 PolarHBondContact O-N 2.99Å
371A58.9Low52.7Low11 Ų1180 Ų809%0.09149%0.487CS..Hα-helixtrans-59.6-48.7175.900000111.1S367 A373 Q374 W375S367-A371 VanDerWaalsContact O-CB 3.3Å; S367-A371 WeakPolarHBondContact O-CB 3.49Å; S367-A371 PolarHBondContact O-N 2.79Å; A371-A373 VanDerWaalsContact C-N 3.28Å; A371-A373 PolarHBondContact O-N 2.88Å; A371-Q374 PolarHBondContact O-N 3.21Å; A371-Q374 VanDerWaalsContact O-N 3.12Å; A371-W375 PolarHBondContact O-N 2.72Å
372A59.4Low52.5Low60 Ų6085.6 Ų85.650%0.49651%0.506SS..Hα-helixtrans-57.8-39177.400000112.8T368 A376T368-A372 WeakPolarHBondContact O-CB 3.4Å; T368-A372 PolarHBondContact O-N 3.16Å; A372-A376 WeakPolarHBondContact O-CB 3.19Å; A372-A376 PolarHBondContact O-N 2.87Å
373A57.7Low52.1Low52 Ų5289.6 Ų89.643%0.4352%0.516SS..Hα-helixtrans-66.3-41174.900000112.7A369 I370 A371 A376 I377A369-A373 WeakPolarHBondContact O-CB 3.42Å; A369-A373 PolarHBondContact O-N 3.44Å; I370-A373 PolarHBondContact O-N 3.24Å; A371-A373 VanDerWaalsContact C-N 3.28Å; A371-A373 PolarHBondContact O-N 2.88Å; A373-A376 PolarHBondContact O-N 3.37Å; A373-I377 WeakPolarHBondContact O-CG1 3.21Å; A373-I377 PolarHBondContact O-N 3.41Å
374Q59Low51.4Low128 Ų12891 Ų9160%0.59854%0.535SS*.Hα-helixtrans-65.9-42.7177-72.4176.1-2400112.2I370 A371 A376 I377 S378I370-Q374 WeakPolarHBondContact O-CG 3.33Å; I370-Q374 PolarHBondContact O-N 2.99Å; A371-Q374 PolarHBondContact O-N 3.21Å; A371-Q374 VanDerWaalsContact O-N 3.12Å; Q374-A376 VanDerWaalsContact C-N 3.33Å; Q374-A376 PolarHBondContact O-N 3.46Å; Q374-I377 PolarHBondContact O-N 3.11Å; Q374-S378 PolarHBondContact O-N 2.75Å
375W53.7Low49.8Very low159 Ų15995.3 Ų95.360%0.60257%0.566SS**Hα-helixtrans-63.5-36.7174.7-71.7113.5000112.6A371 I377 S378 Q379A371-W375 PolarHBondContact O-N 2.72Å; W375-I377 VanDerWaalsContact C-N 3.35Å; W375-I377 PolarHBondContact O-N 2.73Å; W375-S378 PolarHBondContact O-N 2.67Å; W375-Q379 PolarHBondContact O-N 3.07Å
376A49.5Very low48.3Very low64 Ų6498.3 Ų98.353%0.52958%0.579SS.*Hα-helixtrans-64.9-35.4175.600000113A372 A373 Q374A372-A376 WeakPolarHBondContact O-CB 3.19Å; A372-A376 PolarHBondContact O-N 2.87Å; A373-A376 PolarHBondContact O-N 3.37Å; Q374-A376 VanDerWaalsContact C-N 3.33Å; Q374-A376 PolarHBondContact O-N 3.46Å
377I47.7Very low47.8Very low122 Ų122104.5 Ų104.563%0.62660%0.6SS**Hα-helixtrans-66.7-42.3176-67.2162.5000110.8A373 Q374 W375 Q379 N380A373-I377 WeakPolarHBondContact O-CG1 3.21Å; A373-I377 PolarHBondContact O-N 3.41Å; Q374-I377 PolarHBondContact O-N 3.11Å; W375-I377 VanDerWaalsContact C-N 3.35Å; W375-I377 PolarHBondContact O-N 2.73Å; I377-Q379 PolarHBondContact O-N 2.91Å; I377-N380 PolarHBondContact O-N 3.08Å; I377-N380 VanDerWaalsContact O-N 3.1Å
378S50Low46.9Very low68 Ų68110.7 Ų110.748%0.47663%0.63SS.*Hα-helixtrans-67.3-19.4-178.5-168.40000114.5Q374 W375 N380 T381Q374-S378 PolarHBondContact O-N 2.75Å; W375-S378 PolarHBondContact O-N 2.67Å; S378-N380 VanDerWaalsContact C-N 3.29Å; S378-T381 PolarHBondContact O-OG1 3.36Å; S378-T381 VanDerWaalsContact O-OG1 3.04Å
379Q43.8Very low44.8Very low164 Ų164113.7 Ų113.777%0.76666%0.66SS**Hα-helixtrans-68.1-29.5172.9-68.9-83.7-31.200111.9W375 I377 T381W375-Q379 PolarHBondContact O-N 3.07Å; I377-Q379 PolarHBondContact O-N 2.91Å; Q379-T381 VanDerWaalsContact C-N 3.28Å; Q379-T381 PolarHBondContact O-N 2.77Å
380N40.6Very low43.9Very low148 Ų148115.5 Ų115.579%0.79168%0.675SS**THydrogen-bonded Turntrans-82.8-2.1-171.6-150.946.9000113.8I377 S378I377-N380 PolarHBondContact O-N 3.08Å; I377-N380 VanDerWaalsContact O-N 3.1Å; S378-N380 VanDerWaalsContact C-N 3.29Å
381T43.3Very low42.2Very low110 Ų110117.3 Ų117.368%0.67569%0.691SS**THydrogen-bonded Turntrans-105.88.4-174.743.90000114.8S378 Q379S378-T381 PolarHBondContact O-OG1 3.36Å; S378-T381 VanDerWaalsContact O-OG1 3.04Å; Q379-T381 VanDerWaalsContact C-N 3.28Å; Q379-T381 PolarHBondContact O-N 2.77Å
382Q39.1Very low40.8Very low179 Ų179125.6 Ų125.684%0.83672%0.721SS**SBendtrans-113.24.5-178.7-77.3-165.8-11.500115.8
383N36.6Very low39.4Very low166 Ų166131.8 Ų131.889%0.88874%0.739SS**SBendtrans-145.386.1-179.3-156.521.9000112.9
384G28.8Very low38.1Very low82 Ų82136.2 Ų136.285%0.84575%0.751SS**  trans160.3105.3176.600000112.7
385S30.1Very low36.7Very low108 Ų108133.9 Ų133.976%0.75576%0.761SS**  trans-114.5118.2179.555.90000111.4
386N30.9Very low35.4Very low157 Ų157130.3 Ų130.384%0.8477%0.766SS**  trans57.5143159.6-63.210.4000117
387E34.1Very low34.6Very low177 Ų177132.4 Ų132.483%0.82778%0.783SS**  cis-135.5174.717.4-66.7176.9133.700112
388D32.4Very low33.7Very low162 Ų162131.9 Ų131.987%0.86679%0.785SS**  trans47.693.5162.2-73.5-4.4000121.5
389A27Very low32.6Very low109 Ų109135 Ų13590%0.90180%0.801SS**  trans-165.684.4135.200000112.4
390A33.4Very low31.6Very low101 Ų101136.7 Ų136.784%0.83580%0.802SS**  trans-97.6119.6166.600000110.6
391V31.1Very low31Very low137 Ų137135.1 Ų135.183%0.8380%0.803SS**  trans-174.7138.4152.3131.90000111.4
392Y28.8Very low30.1Very low185 Ų185137.2 Ų137.273%0.72581%0.805SS**  trans61.677.7168.4-96.3-107.1000119.9Q394Y392-Q394 HydrophobicContact CD1-CG 4.29Å; Y392-Q394 HydrophobicContact CE1-CG 4.21Å
393Q29.6Very low29.4Very low189 Ų189137 Ų13788%0.88380%0.804SS**  trans-94.6110.3148.4-177.879.413.200109
394Q30.8Very low28.9Very low146 Ų146132.9 Ų132.968%0.68280%0.801SS**  trans-136.4133.8162.2-69.6-175.5-13.500108Y392Y392-Q394 HydrophobicContact CD1-CG 4.29Å; Y392-Q394 HydrophobicContact CE1-CG 4.21Å
395G30.4Very low29Very low78 Ų78138.1 Ų138.180%0.80480%0.803SS**  cis107.346.412.700000111.8
396A26.3Very low28.8Very low85 Ų85139.3 Ų139.370%0.70281%0.811SS**  trans-131.777.5-172.400000111.7V398A396-V398 HydrophobicContact CB-CG2 4.25Å; A396-V398 PolarHBondContact O-N 3.32Å
397A32Very low28.5Very low107 Ų107142.1 Ų142.188%0.88481%0.812SS**  trans-73.7112152.700000107.2
398V27.8Very low28.3Very low111 Ų111139.3 Ų139.367%0.67381%0.811SS**  trans-115.898.4178.3-179.60000109.1A396 Y400A396-V398 HydrophobicContact CB-CG2 4.25Å; A396-V398 PolarHBondContact O-N 3.32Å; V398-Y400 HydrophobicContact CG1-CD2 4.41Å
399T27.3Very low28Very low133 Ų133134.9 Ų134.982%0.81681%0.805SS**  trans-59.5132.3157.346.70000109.5
400Y23.3Very low28.1Very low200 Ų200134.5 Ų134.578%0.78480%0.801SS**  trans-116.9126.2168.8-140.2-88.3000109.5V398V398-Y400 HydrophobicContact CG1-CD2 4.41Å
401S27.1Very low27.9Very low116 Ų116137.5 Ų137.581%0.81180%0.803SS**  trans-154.6102.7179.2-70.80000110.3
402Q26.3Very low27.7Very low153 Ų153133.9 Ų133.972%0.71579%0.794SS**  trans-159.3145.6164.9-112.3-170.9-5400106.5
403E24.2Very low27.8Very low175 Ų175131.5 Ų131.582%0.81880%0.798SS**  cis-129.5155.18.1-59-170.2114.400112.2
404G25.7Very low27.6Very low79 Ų79126.5 Ų126.581%0.81479%0.789SS**  trans-164.5113172.600000110.7
405Q29.9Very low27.2Very low193 Ų193126.4 Ų126.490%0.90279%0.792SS**  trans-82.5135.9-176.5-64.8172.1-18.100111.6
406S25.8Very low26.9Very low132 Ų132132.6 Ų132.692%0.92379%0.791SS**  trans-165171.7156.1-87.70000111.5
407Y25.9Very low26.8Very low217 Ų217134.4 Ų134.485%0.85179%0.788SS**  trans-126.6153.9-151.9-161.4-96.3000112.8
408S28.9Very low26.4Very low117 Ų117136.6 Ų136.682%0.81878%0.78SS**  trans60.1148.7173530000118.2
409G26.2Very low26.2Very low70 Ų70136.5 Ų136.572%0.72278%0.78SS**  cis161.5146-9.300000112.5
410A29.6Very low26.1Very low100 Ų100137 Ų13783%0.82678%0.778SS**  trans60.3147.9176.300000116.7
411D28.9Very low26.2Very low164 Ų164131.5 Ų131.588%0.87777%0.768SS**  cis-147.4-176.210-127.8-40000112.1
412G26.7Very low26.3Very low62 Ų62137.1 Ų137.164%0.63977%0.772SS**  trans-65.9178.8172.100000114.3
413V30.3Very low26.4Very low135 Ų135138 Ų13882%0.81878%0.78SS**  cis-154.6131.529.1176.70000107.8
414A25.3Very low26.4Very low83 Ų83133.8 Ų133.869%0.68677%0.774SS**  46145.9100.200000117
415L22.4Very low27.2Very low144 Ų144135.1 Ų135.175%0.75477%0.769SS**  cis-166.9136.61.8-166.579.3000111.9
416R24.3Very low27Very low208 Ų208133.2 Ų133.279%0.78576%0.764SS**  trans61174.2156-82174.4-171.1-152.71.2117.2
417I25.7Very low27Very low124 Ų124133.5 Ų133.564%0.63676%0.76SS**  cis-142.9142.44.9-130.5146.8000107.1
418Q23.5Very low27Very low153 Ų153126.2 Ų126.272%0.71575%0.751SS**  38.3147.4102.3-63-176.7-43.400116.4
419T23.9Very low26.9Very low109 Ų109126.1 Ų126.167%0.66976%0.757SS**  cis-165.1167.3-9.217.70000107.6
420D23.8Very low26.8Very low143 Ų143126.5 Ų126.577%0.76576%0.761SS**  trans64.3167.6162.4-77.4-47.3000118.4
421S26.8Very low26.8Very low84 Ų84126.4 Ų126.459%0.58776%0.76SS**  cis-178.1129.5-45.3-97.70000107.7
422R27.3Very low26.7Very low234 Ų234122.9 Ų122.988%0.88375%0.754SS**  trans48.4119.6155.8-57175.1178.6176-0.8118.5
423I28.4Very low27Very low173 Ų173126.8 Ų126.889%0.88776%0.76SS**  -173.5149.9115.2-97.4152.4000109.9
424A25.3Very low26.9Very low85 Ų85127.8 Ų127.870%0.70276%0.76SS**  trans-135.6174.1170.500000106.7
425P41.7Very low27Very low108 Ų108127.3 Ų127.370%0.70176%0.764SS**  cis-150.1-158.318.139.5-15000115.9
426L25.7Very low27.3Very low152 Ų152125.2 Ų125.280%0.79677%0.767SS**  trans83.6130.9144.3-82.4173.6000123.1
427V26.3Very low27.5Very low138 Ų138125.6 Ų125.684%0.83677%0.77SS**  trans63.9137.1155.8-173.70000118.2
428G25.7Very low27.7Very low64 Ų64125.8 Ų125.866%0.6678%0.777SS**  cis154.3157.2-10.500000114.9
429A26.8Very low27.9Very low116 Ų116122 Ų12296%0.95978%0.779SS**  trans64.1158.7169.500000119.6
430G25.2Very low28.1Very low78 Ų78119.7 Ų119.780%0.80478%0.777SS**  trans135.839.415300000123.2
431A28.1Very low28.4Very low98 Ų98119.6 Ų119.681%0.8178%0.782SS**  trans5.3136160.400000124.4
432A28.3Very low29.8Very low90 Ų90121 Ų12174%0.74479%0.788SS**  trans69.7166.4147.900000118.4
433L31.6Very low30Very low144 Ų144114.9 Ų114.975%0.75478%0.777SS**  cis-156.4146.234.5-70.3157.3000115.2
434N28.4Very low30.2Very low156 Ų156113.7 Ų113.783%0.83477%0.772SS**  trans60.4142.3136.7-55.8-10000126.5
435G28.5Very low30.4Very low73 Ų73117 Ų11775%0.75377%0.771SS**  trans109.8119.3156.500000115.6
436A28.6Very low29.9Very low100 Ų100118.2 Ų118.283%0.82677%0.771SS**  cis74.4133.733.800000114.5
437Y28.8Very low30.2Very low215 Ų215117.8 Ų117.884%0.84377%0.768SS**  cis-144.2-172.76.142.1-110.4000109.7
438T28.6Very low30.5Very low129 Ų129116.5 Ų116.579%0.79177%0.765SS**  cis-137.3-16215.66.60000109.8
439G28.9Very low31Very low73 Ų73117.2 Ų117.275%0.75377%0.765SS**  cis104.3127.9700000113.8
440G27.8Very low31.4Very low61 Ų61118.2 Ų118.263%0.62975%0.75SS**  cis-164.5159.50.500000112.9
441T30.8Very low31.9Very low140 Ų140121.3 Ų121.386%0.85974%0.744SS**  79.5159.291580000116.8
442P55.9Low32.1Very low113 Ų113126.3 Ų126.373%0.73474%0.743SS**  cis-114.8-149.5-23.327.6-4.5000109.2
443V31.1Very low32.2Very low106 Ų106128.3 Ų128.364%0.64274%0.74SS**  cis-145.1-1761.6-123.70000106.4F445V443-F445 HydrophobicContact CG1-CD2 3.7Å; V443-F445 HydrophobicContact CG1-CE2 3.81Å
444L31.4Very low32.1Very low149 Ų149127.8 Ų127.878%0.7874%0.738SS**  cis-123.715714.4-75.7170000109.3
445F30.6Very low32Very low154 Ų154127.4 Ų127.468%0.67573%0.732SS**  59.1114.268.6-69.2-74.5000115.3V443V443-F445 HydrophobicContact CG1-CD2 3.7Å; V443-F445 HydrophobicContact CG1-CE2 3.81Å
446N30.8Very low32Very low134 Ų134132 Ų13272%0.71774%0.736SS**  cis-143.6171.824.6-70.2-76.1000110.2
447I32.1Very low32Very low142 Ų142137 Ų13773%0.72874%0.74SS**  cis-166.9143.6-5.5-112.1168.4000104.7
448S32.8Very low32.8Very low111 Ų111132.1 Ų132.178%0.77674%0.735SS**  cis89.6113.227.2-169.20000114.6
449A36.8Very low32.5Very low79 Ų79131.1 Ų131.165%0.65373%0.732SS**  cis-143.4-156.40.100000108
450E34Very low32.5Very low138 Ų138132.6 Ų132.665%0.64573%0.73SS**  cis-133.1-18017.3-88.1-7076.800109.4
451Q35.7Very low32.8Very low143 Ų143134.3 Ų134.367%0.66873%0.733SS**  cis67.5158.540.2-91.874.5-115.600115
452Y33.5Very low32.8Very low202 Ų202134.2 Ų134.279%0.79273%0.732SS**  cis-117.3-14011.3-146.5-97.4000114.1
453L30.3Very low31.5Very low132 Ų132132.8 Ų132.869%0.69173%0.729SS**  trans-149152-156.4-165.377.8000113.6
454L29.1Very low31.4Very low134 Ų134133.9 Ų133.970%0.70274%0.736SS**  122.2121.9125.5-154.663.5000122.1
455M27Very low31.3Very low147 Ų147134.1 Ų134.172%0.72474%0.736SS**  trans61.7133.6147.5-68-85.3-168.300126
456M27.3Very low31Very low170 Ų170131.2 Ų131.284%0.83774%0.736SS**  trans80.7150.1137.4-76.3-178.2168.600124.2
457F29.7Very low31.2Very low204 Ų204129 Ų12990%0.89573%0.73SS**  trans-73.7177.6174.4-66.8-95000112.5
458P45.7Very low31.1Very low114 Ų114130.2 Ų130.274%0.7473%0.733SS**  cis-143.3-176.59.846.3-28.1000118
459C21.9Very low30.8Very low108 Ų108129.1 Ų129.173%0.7373%0.73SS**  trans66.3130.7140.8-140.70000123.8
460S28.6Very low30.4Very low103 Ų103132 Ų13272%0.7274%0.739SS**  trans70.5158138.4-83.10000121.7
461S33Very low30.1Very low97 Ų97134.4 Ų134.468%0.67875%0.748SS**  cis-176.4-171.1-21.354.20000111.3
462V31.9Very low29.7Very low139 Ų139136.2 Ų136.284%0.84276%0.761SS**  trans76.8134.5165.8-176.80000116
463A28.1Very low29.4Very low82 Ų82129.8 Ų129.868%0.67876%0.756SS**  cis-135.5-179-6.400000109.3
464V29.2Very low30.1Very low130 Ų130129.6 Ų129.679%0.78876%0.763SS**  cis-149.913944178.50000111.3
465I28.3Very low30Very low153 Ų153127.6 Ų127.679%0.78577%0.766SS**  trans-28.6153.9158.219.5174.3000116.6
466S26.2Very low30Very low94 Ų94125.8 Ų125.866%0.65777%0.774SS**  cis-165.2168.80-149.90000111.8
467S33.8Very low30Very low87 Ų87121.2 Ų121.261%0.60877%0.77SS**  trans51.6143.2135.5-63.90000122.6
468E29.3Very low29.9Very low168 Ų168120.1 Ų120.179%0.78577%0.768SS**  cis-173.4165.2-12.9-125.4163.7116.200112.1
469A28.1Very low29Very low87 Ų87121.7 Ų121.772%0.71977%0.769SS**  trans66.5151.2143.200000121
470V28.2Very low29.2Very low139 Ų139121.1 Ų121.184%0.84277%0.767SS**  cis-155.6159.1-14.5122.50000109.9
471K28Very low29Very low190 Ų190123.1 Ų123.183%0.82677%0.769SS**  trans-77.9150.3172-77.6178.3173.1175.60112.7
472L27.6Very low29Very low180 Ų180125.5 Ų125.594%0.94277%0.772SS**  178159.7120.2-92.2158.5000110.5
473G25.4Very low29.4Very low67 Ų67124.5 Ų124.569%0.69177%0.769SS**  trans-117.3-152.1173.300000111.1
474P45.6Very low29.4Very low129 Ų129124.7 Ų124.784%0.83877%0.77SS**  cis-139.5-168.4-242.8-24.1000115.2
475A26.5Very low29.5Very low92 Ų92126.3 Ų126.376%0.7677%0.773SS**  trans80.2126.4148.900000123.8
476A27.8Very low29.6Very low109 Ų109123.3 Ų123.390%0.90177%0.765SS**  trans63.8148.513800000124.1
477G28Very low29.7Very low73 Ų73124.9 Ų124.975%0.75377%0.771SS**  trans104.2107.4172.800000113.4
478Q27.5Very low29.5Very low182 Ų182125.7 Ų125.785%0.8578%0.777SS**  73.9110.668-79.3-163.9-23.300117.6
479L25.1Very low29.5Very low146 Ų146122.3 Ų122.376%0.76478%0.777SS**  trans60.5108137.7-68.6165.3000123.3
480S26.8Very low29.4Very low96 Ų96123.2 Ų123.267%0.67177%0.774SS**  88154.311977.70000123.4
481L25Very low29.6Very low146 Ų146125.3 Ų125.376%0.76478%0.775SS**  trans73.7125.6165.1-57.9160.3000116.7
482I33Very low29.6Very low146 Ų146120.9 Ų120.975%0.74977%0.768SS**  66.8119.552-58.1177.8000110.8
483P40.5Very low29.6Very low119 Ų119117.9 Ų117.977%0.77376%0.762SS**  -126.8170.953.516.68.7000115
484A27.9Very low29.7Very low85 Ų85118.8 Ų118.870%0.70276%0.763SS**  cis91.2157.827.800000115.7
485I31.7Very low28.8Very low165 Ų165117.7 Ų117.785%0.84676%0.758SS**  trans113.6128.7-172.2-68.7163.9000111.9
486S28.7Very low28.9Very low90 Ų90118.7 Ų118.763%0.62976%0.76SS**  cis-165.6141.9-11.4-102.20000114.7
487T28.3Very low28.9Very low127 Ų127121.4 Ų121.478%0.77975%0.754SS**  trans45.3147.8137.463.30000123.3
488S30.3Very low29Very low103 Ų103122.8 Ų122.872%0.7275%0.747SS**  cis174.6159.4-9.653.20000109.2
489A29.8Very low29Very low97 Ų97122 Ų12280%0.80274%0.744SS**  cis-140.2-82.8-11.600000111.2
490T25.5Very low29.3Very low106 Ų106121.3 Ų121.365%0.6574%0.739SS**  cis-156.3120.1-7.6-60.90000110.9
491Q32.2Very low29.4Very low183 Ų183123.4 Ų123.486%0.85575%0.748SS**  trans52.9138.5161.5-63.4-174.523.500121.1
492S28.9Very low29.5Very low97 Ų97119.9 Ų119.968%0.67875%0.747SS**  cis-167.7161.8-10.850.90000114.3
493S27.3Very low29.8Very low117 Ų117122.6 Ų122.682%0.81875%0.753SS**  trans83.6136161.875.60000120.2
494A27.3Very low29.3Very low87 Ų87123 Ų12372%0.71976%0.756SS**  cis-162143.2-19.100000113.8
495S27.8Very low29.3Very low106 Ų106127.3 Ų127.374%0.74176%0.762SS**  trans44.6136.5153.553.50000122.5
496S26.6Very low30.2Very low113 Ų113125 Ų12579%0.7976%0.757SS**  cis79.8142.724.8-54.20000116.3
497Q29.3Very low30.1Very low165 Ų165125.4 Ų125.477%0.77177%0.766SS**  cis-175.8166.1-17.3-165-169.9-17.100110.9
498V29.3Very low30.2Very low102 Ų102123.7 Ų123.762%0.61877%0.765SS**  trans63.8133.2155.5-88.20000125.5
499E27.5Very low30.8Very low166 Ų166124.8 Ų124.878%0.77677%0.769SS**  trans52.9162.1133.7-71.5-176.5110.900122.6
500I32.3Very low31.6Very low131 Ų131127.6 Ų127.667%0.67277%0.771SS**  cis-154.6160.34.7-133.7168.2000112.6
501V29Very low32.6Very low140 Ų140129.3 Ų129.385%0.84877%0.772SS**  trans45.7132160.11750000121.6
502G26.1Very low33.7Very low73 Ų73122.3 Ų122.375%0.75374%0.742SS**  trans179.5134.2154.500000114.7
503K39.6Very low35.2Very low202 Ų202118.5 Ų118.588%0.87872%0.716SS**  trans-126.8122.5173-171.7-172.7-172.7-174.60109.9
504P29.3Very low37Very low128 Ų128113.9 Ų113.983%0.83168%0.683SS**  trans-125.7157.5160.636.9-25.4000113.8
505Q28.2Very low38.5Very low176 Ų176109.9 Ų109.982%0.82265%0.649SS**  trans-143.4152.4168.7176-165.2-16.900105.3
506P52Low39.9Very low115 Ų115107.2 Ų107.275%0.74764%0.638SS**  cis-114.9162.1-35.136.7-23.8000111.2
507A25.1Very low41.3Very low99 Ų99104.4 Ų104.482%0.81862%0.616SS**  trans-156.1125.5161.300000111.5
508A30.8Very low41.9Very low91 Ų91106 Ų10675%0.75262%0.624SS**  trans-87.3154.1149.100000108
509P43.8Very low43Very low126 Ų126106.6 Ų106.682%0.81862%0.619SS**  -128.1149.7111.636.2-31.6000113.1Q511P509-Q511 PolarHBondContact O-N 3.4Å
510N45.2Very low44.3Very low156 Ų156103.4 Ų103.483%0.83460%0.604SS**  trans-48.6116.9-176.1-54.6-20000114.7
511Q47.4Very low45.6Very low142 Ų142100.6 Ų100.666%0.66459%0.591SS**  -165.2132.7128-105.2161.522.100109.3P509P509-Q511 PolarHBondContact O-N 3.4Å
512P55.9Low46.9Very low37 Ų37103.6 Ų103.624%0.2459%0.592CS.*  trans-69.5146.8172.328.2-32000110.4I514P512-I514 VanDerWaalsContact C-N 3.3Å; P512-I514 HydrophobicContact CB-CG1 4.36Å; P512-I514 HydrophobicContact CG-CD1 3.93Å; P512-I514 HydrophobicContact CG-CG1 3.99Å; P512-I514 PolarHBondContact O-N 2.07Å
513A59.5Low48.2Very low16 Ų16106.1 Ų106.113%0.13259%0.585CS.*  trans-80.278.3-179.400000110.4P515 L521 Y524 F545A513-P515 WeakPolarHBondContact O-CD 3.43Å; A513-L521 HydrophobicContact CB-CD1 3.73Å; A513-L521 HydrophobicContact CB-CG 4.35Å; A513-Y524 HydrophobicContact CB-CE1 4.23Å; A513-Y524 WeakPolarHBondContact O-CE1 3.24Å; A513-F545 PolarHBondContact N-O 2.81Å
514I64.6Low49.9Very low21 Ų2196.7 Ų96.711%0.10854%0.543CS..  trans-76.4117.8-175-61.3151.1000110.2P512 T517 T546 N559 N561P512-I514 VanDerWaalsContact C-N 3.3Å; P512-I514 HydrophobicContact CB-CG1 4.36Å; P512-I514 HydrophobicContact CG-CD1 3.93Å; P512-I514 HydrophobicContact CG-CG1 3.99Å; P512-I514 PolarHBondContact O-N 2.07Å; I514-T517 HydrophobicContact CB-CG2 4.01Å; I514-T517 HydrophobicContact CG2-CG2 3.71Å; I514-T517 PolarHBondContact O-N 3.3Å; I514-T517 PolarHBondContact O-OG1 2.1Å; I514-T546 WeakPolarHBondContact CA-O 3.33Å; I514-N559 WeakPolarHBondContact CG2-ND2 3.45Å; I514-N561 WeakPolarHBondContact CD1-ND2 3.07Å; I514-N561 HydrophobicContact CG2-CB 4.44Å
515P59.3Low51.9Low3 Ų394.3 Ų94.32%0.01953%0.528CS..THydrogen-bonded Turntrans-59.3139.2171.8-19.531.3000111.2A513 Y524 L548 N559 M566 Y575A513-P515 WeakPolarHBondContact O-CD 3.43Å; P515-Y524 HydrophobicContact CG-CE1 4.37Å; P515-Y524 HydrophobicContact CG-CE2 4.33Å; P515-L548 HydrophobicContact CG-CD1 4.21Å; P515-N559 PolarHBondContact O-ND2 3.49Å; P515-M566 HydrophobicContact CB-CE 4.01Å; P515-M566 HydrophobicContact CB-SD 4.22Å; P515-Y575 HydrophobicContact CG-CD2 3.66Å; P515-Y575 HydrophobicContact CG-CE2 4.46Å; P515-Y575 HydrophobicContact CG-CG 4.15Å
516G58.3Low54Low49 Ų4990.7 Ų90.751%0.50552%0.517SS..THydrogen-bonded Turntrans79.821.7-174.300000114.8E520G516-E520 WeakPolarHBondContact CA-OE2 3.35Å; G516-E520 PolarHBondContact N-OE2 3.18Å
517T54.7Low55.1Low54 Ų5486.2 Ų86.233%0.33149%0.489SS..SBendtrans-132174170.9690000111I514 H519 E520I514-T517 HydrophobicContact CB-CG2 4.01Å; I514-T517 HydrophobicContact CG2-CG2 3.71Å; I514-T517 PolarHBondContact O-N 3.3Å; I514-T517 PolarHBondContact O-OG1 2.1Å; T517-H519 PolarHBondContact O-N 3.37Å; T517-E520 WeakPolarHBondContact O-CB 3.26Å; T517-E520 PolarHBondContact O-N 3.17Å
518E41.4Very low57.4Low200 Ų20085.7 Ų85.794%0.93547%0.472SS*.THydrogen-bonded Turntrans-60.5-13.2-179.2-59-172.5158.400114.2
519H53.2Low59.4Low113 Ų11384.2 Ų84.252%0.52345%0.454SS..THydrogen-bonded Turntrans-103.123.1176.3-72.4-85000114T517 L521T517-H519 PolarHBondContact O-N 3.37Å; H519-L521 PolarHBondContact O-N 3.25Å
520E54.8Low60.9Low99 Ų9983 Ų8346%0.46345%0.448SS..  trans-66.4121.5175.5-177.9173.6139.700112.7G516 T517G516-E520 WeakPolarHBondContact CA-OE2 3.35Å; G516-E520 PolarHBondContact N-OE2 3.18Å; T517-E520 WeakPolarHBondContact O-CB 3.26Å; T517-E520 PolarHBondContact O-N 3.17Å
521L59Low62.4Low73 Ų7379.9 Ų79.938%0.38244%0.435SS..  trans-76.1136.3167.8-71.9156.4000110.1A513 H519 Q523 Y524A513-L521 HydrophobicContact CB-CD1 3.73Å; A513-L521 HydrophobicContact CB-CG 4.35Å; H519-L521 PolarHBondContact O-N 3.25Å; L521-Q523 PolarHBondContact O-N 3.09Å; L521-Y524 HydrophobicContact CB-CD1 4.2Å; L521-Y524 HydrophobicContact CB-CD2 4.38Å; L521-Y524 HydrophobicContact CB-CE1 3.84Å; L521-Y524 HydrophobicContact CB-CE2 4.05Å; L521-Y524 HydrophobicContact CB-CG 4.44Å; L521-Y524 HydrophobicContact CD1-CD1 3.97Å; L521-Y524 HydrophobicContact CD1-CE1 3.87Å; L521-Y524 HydrophobicContact CG-CE1 4.35Å; L521-Y524 PolarHBondContact N-OH 3.12Å; L521-Y524 VanDerWaalsContact N-OH 3.08Å; L521-Y524 WeakPolarHBondContact O-CE2 3.39Å
522K57Low64.1Low202 Ų20274 Ų7488%0.87841%0.407SS*.SBendtrans-71.2-7.7175.3-64.2-178.8179.6177.90114.2
523Q53.6Low65.4Low127 Ų12778.8 Ų78.859%0.59343%0.426SS*.SBendtrans-162.8124.7-178.6-169.5173.86.100107.7L521 Q573L521-Q523 PolarHBondContact O-N 3.09Å; Q523-Q573 HydrophobicContact CG-CB 4.04Å
524Y74.4Confident66.5Low4 Ų483.8 Ų83.82%0.01644%0.442CS..  trans-104.3154.7179.1-66.2-95.7000110.4A513 P515 L521 T546 Q573 Y575A513-Y524 HydrophobicContact CB-CE1 4.23Å; A513-Y524 WeakPolarHBondContact O-CE1 3.24Å; P515-Y524 HydrophobicContact CG-CE1 4.37Å; P515-Y524 HydrophobicContact CG-CE2 4.33Å; L521-Y524 HydrophobicContact CB-CD1 4.2Å; L521-Y524 HydrophobicContact CB-CD2 4.38Å; L521-Y524 HydrophobicContact CB-CE1 3.84Å; L521-Y524 HydrophobicContact CB-CE2 4.05Å; L521-Y524 HydrophobicContact CB-CG 4.44Å; L521-Y524 HydrophobicContact CD1-CD1 3.97Å; L521-Y524 HydrophobicContact CD1-CE1 3.87Å; L521-Y524 HydrophobicContact CG-CE1 4.35Å; L521-Y524 PolarHBondContact N-OH 3.12Å; L521-Y524 VanDerWaalsContact N-OH 3.08Å; L521-Y524 WeakPolarHBondContact O-CE2 3.39Å; Y524-T546 HydrophobicContact CD1-CG2 3.98Å; Y524-T546 HydrophobicContact CE1-CG2 4.26Å; Y524-Q573 PolarHBondContact N-O 2.62Å; Y524-Y575 HydrophobicContact CD1-CE2 4.24Å; Y524-Y575 HydrophobicContact CD2-CD2 4.21Å; Y524-Y575 HydrophobicContact CD2-CE2 4.45Å; Y524-Y575 HydrophobicContact CE2-CD2 4.38Å; Y524-Y575 HydrophobicContact CG-CD2 4.34Å; Y524-Y575 HydrophobicContact CG-CE2 4.13Å
525P71.7Confident67.2Low77 Ų7784.9 Ų84.950%0.545%0.448SS..PPolyproline II helixtrans-61.1156.6166.129.2-35.3000110.7P527 F545 W568P525-P527 WeakPolarHBondContact O-CD 3.26Å; P525-F545 HydrophobicContact CG-CD1 4.32Å; P525-F545 HydrophobicContact CG-CE1 3.69Å; P525-F545 HydrophobicContact CG-CZ 4.36Å; P525-W568 WeakPolarHBondContact O-CH2 3.34Å
526V72.5Confident67.9Low100 Ų10093 Ų9361%0.60649%0.486SS*.PPolyproline II helixtrans-60124.5174.8179.50000108.9D528V526-D528 PolarHBondContact O-N 3.12Å
527P75.9Confident68.6Low22 Ų2296 Ų9614%0.14350%0.499CS..PPolyproline II helixtrans-72.3122-172-14.427.5000111.2P525 Y532 W568 Y575P525-P527 WeakPolarHBondContact O-CD 3.26Å; P527-Y532 WeakPolarHBondContact CB-OH 3.42Å; P527-W568 VanDerWaalsContact CD-CZ2 3.43Å; P527-W568 HydrophobicContact CG-CD2 3.53Å; P527-W568 HydrophobicContact CG-CE3 3.47Å; P527-W568 VanDerWaalsContact CG-CE3 3.47Å; P527-W568 HydrophobicContact CG-CG 4.07Å; P527-W568 HydrophobicContact CG-CH2 4.09Å; P527-W568 HydrophobicContact CG-CZ2 4.18Å; P527-W568 HydrophobicContact CG-CZ3 3.75Å; P527-Y575 HydrophobicContact CG-CE1 4.28Å; P527-Y575 VanDerWaalsContact CG-OH 3.25Å; P527-Y575 WeakPolarHBondContact CG-OH 3.41Å
528D73.2Confident69.3Low87 Ų8795.7 Ų95.747%0.46550%0.499SS..  trans-97.6102.5178.5-172.9-16000110.4V526 S530 T531V526-D528 PolarHBondContact O-N 3.12Å; D528-S530 VanDerWaalsContact CG-OG 3.22Å; D528-S530 PolarHBondContact O-N 3.23Å; D528-S530 VanDerWaalsContact OD1-CB 3.28Å; D528-S530 WeakPolarHBondContact OD1-CB 3.48Å; D528-S530 PolarHBondContact OD1-N 2.94Å; D528-S530 PolarHBondContact OD1-OG 3.24Å; D528-S530 PolarHBondContact OD2-OG 3.32Å; D528-T531 HydrophobicContact CB-CG2 4.07Å; D528-T531 PolarHBondContact O-N 3.47Å; D528-T531 PolarHBondContact O-OG1 2.86Å
529V72.8Confident71Confident61 Ų6187.8 Ų87.837%0.3747%0.471SS..G310 helixtrans-59.4-18.4-179.4-169.80000112.7T531 Y532 Y550V529-T531 VanDerWaalsContact C-N 3.27Å; V529-T531 PolarHBondContact O-N 3.12Å; V529-Y532 HydrophobicContact CB-CD2 4.27Å; V529-Y532 HydrophobicContact CB-CE2 4.07Å; V529-Y532 HydrophobicContact CG1-CD2 3.94Å; V529-Y532 HydrophobicContact CG1-CE2 4.06Å; V529-Y532 HydrophobicContact CG2-CE2 3.96Å; V529-Y550 HydrophobicContact CG1-CD1 3.88Å; V529-Y550 HydrophobicContact CG1-CE1 3.63Å; V529-Y550 HydrophobicContact CG2-CE1 4.4Å
530S75.3Confident72.4Confident101 Ų10185.4 Ų85.471%0.70646%0.459SS*.G310 helixtrans-75.7-12.6174.275.30000114.3D528D528-S530 VanDerWaalsContact CG-OG 3.22Å; D528-S530 PolarHBondContact O-N 3.23Å; D528-S530 VanDerWaalsContact OD1-CB 3.28Å; D528-S530 WeakPolarHBondContact OD1-CB 3.48Å; D528-S530 PolarHBondContact OD1-N 2.94Å; D528-S530 PolarHBondContact OD1-OG 3.24Å; D528-S530 PolarHBondContact OD2-OG 3.32Å
531T75.1Confident73.8Confident90 Ų9084.6 Ų84.655%0.55245%0.453SS*.G310 helixtrans-93.7-8.3178.366.40000113.7D528 V529D528-T531 HydrophobicContact CB-CG2 4.07Å; D528-T531 PolarHBondContact O-N 3.47Å; D528-T531 PolarHBondContact O-OG1 2.86Å; V529-T531 VanDerWaalsContact C-N 3.27Å; V529-T531 PolarHBondContact O-N 3.12Å
532Y84.4Confident75.1Confident18 Ų1884.3 Ų84.37%0.07145%0.447CS..PPolyproline II helixtrans-77.3144-176.7-56.2-17.9000113P527 V529 D543 Y550 Y557P527-Y532 WeakPolarHBondContact CB-OH 3.42Å; V529-Y532 HydrophobicContact CB-CD2 4.27Å; V529-Y532 HydrophobicContact CB-CE2 4.07Å; V529-Y532 HydrophobicContact CG1-CD2 3.94Å; V529-Y532 HydrophobicContact CG1-CE2 4.06Å; V529-Y532 HydrophobicContact CG2-CE2 3.96Å; Y532-D543 HydrophobicContact CD1-CB 3.68Å; Y532-D543 HydrophobicContact CE1-CB 3.66Å; Y532-D543 HydrophobicContact CG-CB 4.42Å; Y532-Y550 HydrophobicContact CD2-CD1 4.19Å; Y532-Y550 HydrophobicContact CD2-CG 4.2Å; Y532-Y550 HydrophobicContact CE2-CD1 4.19Å; Y532-Y550 AromaticContact CE2-CG 3.91Å; Y532-Y550 HydrophobicContact CE2-CG 3.91Å; Y532-Y557 HydrophobicContact CE2-CE1 4Å; Y532-Y557 WeakPolarHBondContact OH-CE1 3.03Å; Y532-Y557 PolarHBondContact OH-OH 3.13Å
533Q82Confident76.3Confident138 Ų13875.2 Ų75.265%0.64541%0.408SS*.EExtended strand (participates in β ladder)trans-94.1116.6179.5-172.2147.286.200109.7D535 Y542Q533-D535 PolarHBondContact O-N 2.93Å; Q533-Y542 PolarHBondContact N-O 2.83Å; Q533-Y542 PolarHBondContact O-N 2.95Å
534Y83.4Confident77.2Confident121 Ų12172.5 Ų72.548%0.47540%0.401SS..EExtended strand (participates in β ladder)trans-67.2126.4175.3-177.7-110.3000110.7E536 G539 Y541Y534-E536 HydrophobicContact CE1-CB 4.14Å; Y534-E536 HydrophobicContact CE1-CG 4.48Å; Y534-G539 WeakPolarHBondContact CE2-O 3.32Å; Y534-Y541 HydrophobicContact CD2-CD1 4.47Å; Y534-Y541 AromaticContact CD2-CD2 3.75Å; Y534-Y541 HydrophobicContact CD2-CD2 3.75Å; Y534-Y541 HydrophobicContact CD2-CE1 4.24Å; Y534-Y541 AromaticContact CD2-CE2 3.45Å; Y534-Y541 HydrophobicContact CD2-CE2 3.45Å; Y534-Y541 VanDerWaalsContact CD2-CE2 3.45Å; Y534-Y541 HydrophobicContact CD2-CG 4.25Å; Y534-Y541 AromaticContact CD2-CZ 3.74Å; Y534-Y541 HydrophobicContact CE2-CD2 4.38Å; Y534-Y541 AromaticContact CE2-CE2 3.98Å; Y534-Y541 HydrophobicContact CE2-CE2 3.98Å; Y534-Y541 HydrophobicContact CG-CE2 4.42Å
535D79.5Confident77.1Confident43 Ų4377.5 Ų77.523%0.2342%0.423CS..  trans-102.1108.8172.516729.8000109.7Q533 S537 S538 G539 F540Q533-D535 PolarHBondContact O-N 2.93Å; D535-S537 VanDerWaalsContact CG-OG 3.27Å; D535-S537 PolarHBondContact O-N 3.24Å; D535-S537 WeakPolarHBondContact OD1-CB 3.41Å; D535-S537 PolarHBondContact OD1-N 3.35Å; D535-S537 PolarHBondContact OD1-OG 3.14Å; D535-S537 PolarHBondContact OD2-OG 2.72Å; D535-S537 VanDerWaalsContact OD2-OG 3.11Å; D535-S538 PolarHBondContact O-N 3.36Å; D535-S538 WeakPolarHBondContact OD2-CB 3.36Å; D535-S538 PolarHBondContact OD2-N 2.85Å; D535-S538 PolarHBondContact OD2-OG 2.82Å; D535-G539 WeakPolarHBondContact O-CA 3.36Å; D535-G539 PolarHBondContact O-N 3.4Å; D535-F540 PolarHBondContact N-O 3.41Å
536E73.1Confident77.1Confident175 Ų17574 Ų7482%0.81840%0.4SS*.THydrogen-bonded Turntrans-66-16.9179.9-167.4170.8-159.100113Y534Y534-E536 HydrophobicContact CE1-CB 4.14Å; Y534-E536 HydrophobicContact CE1-CG 4.48Å
537S73.2Confident77.4Confident110 Ų11069.4 Ų69.477%0.76937%0.373SS*.THydrogen-bonded Turntrans-84.1-29.8178.976.40000114.1D535D535-S537 VanDerWaalsContact CG-OG 3.27Å; D535-S537 PolarHBondContact O-N 3.24Å; D535-S537 WeakPolarHBondContact OD1-CB 3.41Å; D535-S537 PolarHBondContact OD1-N 3.35Å; D535-S537 PolarHBondContact OD1-OG 3.14Å; D535-S537 PolarHBondContact OD2-OG 2.72Å; D535-S537 VanDerWaalsContact OD2-OG 3.11Å
538S69.3Low77.8Confident48 Ų4868.4 Ų68.434%0.33637%0.367SS..THydrogen-bonded Turntrans-105.2-20.417666.90000113.9D535 F540D535-S538 PolarHBondContact O-N 3.36Å; D535-S538 WeakPolarHBondContact OD2-CB 3.36Å; D535-S538 PolarHBondContact OD2-N 2.85Å; D535-S538 PolarHBondContact OD2-OG 2.82Å; S538-F540 VanDerWaalsContact C-N 3.28Å; S538-F540 VanDerWaalsContact O-CD2 3.32Å; S538-F540 WeakPolarHBondContact O-CD2 3.2Å; S538-F540 WeakPolarHBondContact O-CE2 3.33Å
539G78.1Confident78.4Confident34 Ų3467.3 Ų67.335%0.35136%0.357SS..SBendtrans80.44.8-177.600000114.5Y534 D535Y534-G539 WeakPolarHBondContact CE2-O 3.32Å; D535-G539 WeakPolarHBondContact O-CA 3.36Å; D535-G539 PolarHBondContact O-N 3.4Å
540F82.4Confident79Confident63 Ų6365.8 Ų65.828%0.27634%0.344SS..SBendtrans-107.4168.3-179.2-57.9-66.4000112.1D535 S538 Y549 D551D535-F540 PolarHBondContact N-O 3.41Å; S538-F540 VanDerWaalsContact C-N 3.28Å; S538-F540 VanDerWaalsContact O-CD2 3.32Å; S538-F540 WeakPolarHBondContact O-CD2 3.2Å; S538-F540 WeakPolarHBondContact O-CE2 3.33Å; F540-Y549 HydrophobicContact CB-CD1 4.19Å; F540-D551 HydrophobicContact CD1-CB 3.77Å; F540-D551 HydrophobicContact CE1-CB 3.83Å
541Y84.8Confident79.5Confident83 Ų8362 Ų6233%0.32532%0.316SS..EExtended strand (participates in β ladder)trans-100.9108.4177.8-78.1-104.6000109.8Y534 Y549 Y550 P552Y534-Y541 HydrophobicContact CD2-CD1 4.47Å; Y534-Y541 AromaticContact CD2-CD2 3.75Å; Y534-Y541 HydrophobicContact CD2-CD2 3.75Å; Y534-Y541 HydrophobicContact CD2-CE1 4.24Å; Y534-Y541 AromaticContact CD2-CE2 3.45Å; Y534-Y541 HydrophobicContact CD2-CE2 3.45Å; Y534-Y541 VanDerWaalsContact CD2-CE2 3.45Å; Y534-Y541 HydrophobicContact CD2-CG 4.25Å; Y534-Y541 AromaticContact CD2-CZ 3.74Å; Y534-Y541 HydrophobicContact CE2-CD2 4.38Å; Y534-Y541 AromaticContact CE2-CE2 3.98Å; Y534-Y541 HydrophobicContact CE2-CE2 3.98Å; Y534-Y541 HydrophobicContact CG-CE2 4.42Å; Y541-Y549 CarbonylContact O-C 3.58Å; Y541-Y550 PolarHBondContact N-O 3.19Å; Y541-Y550 PolarHBondContact O-N 2.93Å; Y541-P552 HydrophobicContact CD2-CG 3.38Å; Y541-P552 HydrophobicContact CE2-CG 3.43Å; Y541-P552 VanDerWaalsContact CE2-CG 3.43Å; Y541-P552 HydrophobicContact CG-CG 4.44Å
542Y84.3Confident79.5Confident67 Ų6760.7 Ų60.726%0.26331%0.309SS..EExtended strand (participates in β ladder)trans-80.3131.4179.5178.5-108.3000111.5Q533 P544 Y549Q533-Y542 PolarHBondContact N-O 2.83Å; Q533-Y542 PolarHBondContact O-N 2.95Å; Y542-P544 HydrophobicContact CD1-CG 4.23Å; Y542-P544 HydrophobicContact CE1-CB 4.25Å; Y542-P544 HydrophobicContact CE1-CG 4.23Å; Y542-P544 WeakPolarHBondContact O-CD 3.21Å; Y542-Y549 HydrophobicContact CD2-CD1 4.2Å; Y542-Y549 HydrophobicContact CD2-CD2 4.03Å; Y542-Y549 AromaticContact CD2-CE1 3.84Å; Y542-Y549 HydrophobicContact CD2-CE1 3.84Å; Y542-Y549 AromaticContact CD2-CE2 3.63Å; Y542-Y549 HydrophobicContact CD2-CE2 3.63Å; Y542-Y549 HydrophobicContact CD2-CG 4.29Å; Y542-Y549 AromaticContact CD2-CZ 3.54Å; Y542-Y549 AromaticContact CE2-CE2 3.94Å; Y542-Y549 HydrophobicContact CE2-CE2 3.94Å; Y542-Y549 HydrophobicContact CG-CE1 4.33Å
543D84.1Confident79.1Confident10 Ų1066.8 Ų66.85%0.05334%0.343CS..  trans-95.4111.3170.2177.410.2000110.7Y532 F545 T546 G547 L548Y532-D543 HydrophobicContact CD1-CB 3.68Å; Y532-D543 HydrophobicContact CE1-CB 3.66Å; Y532-D543 HydrophobicContact CG-CB 4.42Å; D543-F545 PolarHBondContact O-N 3.25Å; D543-F545 WeakPolarHBondContact OD1-CB 2.85Å; D543-F545 PolarHBondContact OD1-N 3.46Å; D543-T546 WeakPolarHBondContact OD2-CB 3.37Å; D543-T546 VanDerWaalsContact OD2-CG2 3.27Å; D543-T546 WeakPolarHBondContact OD2-CG2 3.49Å; D543-T546 PolarHBondContact OD2-N 3.04Å; D543-T546 PolarHBondContact OD2-OG1 2.77Å; D543-G547 VanDerWaalsContact O-CA 3.31Å; D543-G547 WeakPolarHBondContact O-CA 3.43Å; D543-G547 PolarHBondContact O-N 3.42Å; D543-L548 PolarHBondContact N-O 2.81Å
544P72Confident78.9Confident71 Ų7163 Ų6346%0.46133%0.332SS..THydrogen-bonded Turntrans-65.7-16.7177-2033.6000114.8Y542Y542-P544 HydrophobicContact CD1-CG 4.23Å; Y542-P544 HydrophobicContact CE1-CB 4.25Å; Y542-P544 HydrophobicContact CE1-CG 4.23Å; Y542-P544 WeakPolarHBondContact O-CD 3.21Å
545F71.3Confident78.7Confident109 Ų10963.3 Ų63.348%0.47834%0.338SS..THydrogen-bonded Turntrans-85.2-46.1-178.5-174.3-106000112.1A513 P525 D543A513-F545 PolarHBondContact N-O 2.81Å; P525-F545 HydrophobicContact CG-CD1 4.32Å; P525-F545 HydrophobicContact CG-CE1 3.69Å; P525-F545 HydrophobicContact CG-CZ 4.36Å; D543-F545 PolarHBondContact O-N 3.25Å; D543-F545 WeakPolarHBondContact OD1-CB 2.85Å; D543-F545 PolarHBondContact OD1-N 3.46Å
546T73Confident79Confident2 Ų266 Ų661%0.01235%0.345CS..THydrogen-bonded Turntrans-99.2-12.7179.564.70000114.5I514 Y524 D543 L548 Y575I514-T546 WeakPolarHBondContact CA-O 3.33Å; Y524-T546 HydrophobicContact CD1-CG2 3.98Å; Y524-T546 HydrophobicContact CE1-CG2 4.26Å; D543-T546 WeakPolarHBondContact OD2-CB 3.37Å; D543-T546 VanDerWaalsContact OD2-CG2 3.27Å; D543-T546 WeakPolarHBondContact OD2-CG2 3.49Å; D543-T546 PolarHBondContact OD2-N 3.04Å; D543-T546 PolarHBondContact OD2-OG1 2.77Å; T546-L548 PolarHBondContact O-N 3.47Å; T546-L548 WeakPolarHBondContact OG1-CG 3.46Å; T546-Y575 HydrophobicContact CG2-CE2 3.83Å
547G78.6Confident79.6Confident4 Ų458.3 Ų58.34%0.04131%0.309CS..  trans71.716.3-17800000114.1D543D543-G547 VanDerWaalsContact O-CA 3.31Å; D543-G547 WeakPolarHBondContact O-CA 3.43Å; D543-G547 PolarHBondContact O-N 3.42Å
548L84.1Confident80.2Confident1 Ų156 Ų561%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-94.7151-179.2-60.6174.5000111.4P515 D543 T546 Y557 N559 M566 Y575P515-L548 HydrophobicContact CG-CD1 4.21Å; D543-L548 PolarHBondContact N-O 2.81Å; T546-L548 PolarHBondContact O-N 3.47Å; T546-L548 WeakPolarHBondContact OG1-CG 3.46Å; L548-Y557 HydrophobicContact CB-CD1 4.34Å; L548-Y557 HydrophobicContact CD1-CD1 4.33Å; L548-Y557 HydrophobicContact CD1-CG 4.42Å; L548-N559 HydrophobicContact CD2-CB 3.57Å; L548-M566 HydrophobicContact CD2-SD 4.42Å; L548-Y575 HydrophobicContact CD1-CD1 3.61Å; L548-Y575 HydrophobicContact CD1-CD2 3.84Å; L548-Y575 HydrophobicContact CD1-CE1 3.54Å; L548-Y575 HydrophobicContact CD1-CE2 3.76Å; L548-Y575 HydrophobicContact CD1-CG 3.74Å
549Y85.8Confident80.9Confident65 Ų6553.7 Ų53.726%0.25527%0.268SS..EExtended strand (participates in β ladder)trans-104.6107.2173.5-69.5-101.2000109.3F540 Y541 Y542 Y558 A560F540-Y549 HydrophobicContact CB-CD1 4.19Å; Y541-Y549 CarbonylContact O-C 3.58Å; Y542-Y549 HydrophobicContact CD2-CD1 4.2Å; Y542-Y549 HydrophobicContact CD2-CD2 4.03Å; Y542-Y549 AromaticContact CD2-CE1 3.84Å; Y542-Y549 HydrophobicContact CD2-CE1 3.84Å; Y542-Y549 AromaticContact CD2-CE2 3.63Å; Y542-Y549 HydrophobicContact CD2-CE2 3.63Å; Y542-Y549 HydrophobicContact CD2-CG 4.29Å; Y542-Y549 AromaticContact CD2-CZ 3.54Å; Y542-Y549 AromaticContact CE2-CE2 3.94Å; Y542-Y549 HydrophobicContact CE2-CE2 3.94Å; Y542-Y549 HydrophobicContact CG-CE1 4.33Å; Y549-Y558 PolarHBondContact N-O 3.04Å; Y549-Y558 PolarHBondContact O-N 2.61Å; Y549-A560 HydrophobicContact CD2-CB 4.04Å; Y549-A560 HydrophobicContact CE2-CB 3.75Å
550Y86.1Confident80.9Confident28 Ų2854.1 Ų54.111%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-79.5128.8176.3177.6-106.9000111.4V529 Y532 Y541 P552 Y557V529-Y550 HydrophobicContact CG1-CD1 3.88Å; V529-Y550 HydrophobicContact CG1-CE1 3.63Å; V529-Y550 HydrophobicContact CG2-CE1 4.4Å; Y532-Y550 HydrophobicContact CD2-CD1 4.19Å; Y532-Y550 HydrophobicContact CD2-CG 4.2Å; Y532-Y550 HydrophobicContact CE2-CD1 4.19Å; Y532-Y550 AromaticContact CE2-CG 3.91Å; Y532-Y550 HydrophobicContact CE2-CG 3.91Å; Y541-Y550 PolarHBondContact N-O 3.19Å; Y541-Y550 PolarHBondContact O-N 2.93Å; Y550-P552 HydrophobicContact CD1-CG 4.28Å; Y550-P552 HydrophobicContact CE1-CB 4.18Å; Y550-P552 HydrophobicContact CE1-CG 4.18Å; Y550-Y557 AromaticContact CD2-CD1 3.9Å; Y550-Y557 HydrophobicContact CD2-CD1 3.9Å; Y550-Y557 HydrophobicContact CD2-CD2 4.31Å; Y550-Y557 AromaticContact CD2-CE1 3.51Å; Y550-Y557 HydrophobicContact CD2-CE1 3.51Å; Y550-Y557 AromaticContact CD2-CE2 3.96Å; Y550-Y557 HydrophobicContact CD2-CE2 3.96Å; Y550-Y557 HydrophobicContact CD2-CG 4.27Å; Y550-Y557 AromaticContact CD2-CZ 3.55Å; Y550-Y557 HydrophobicContact CE2-CE1 4.36Å; Y550-Y557 HydrophobicContact CE2-CE2 4.2Å; Y550-Y557 AromaticContact CE2-CZ 3.96Å; Y550-Y557 HydrophobicContact CG-CD1 4.43Å; Y550-Y557 HydrophobicContact CG-CE1 4.08Å
551D84.2Confident80.4Confident21 Ų2156 Ų5611%0.11228%0.281CS..  trans-95.8112.9169176.413000110.7F540 N553 S554 Q555 Y556F540-D551 HydrophobicContact CD1-CB 3.77Å; F540-D551 HydrophobicContact CE1-CB 3.83Å; D551-N553 PolarHBondContact O-N 3.21Å; D551-N553 VanDerWaalsContact OD1-CB 3.29Å; D551-N553 WeakPolarHBondContact OD1-CB 3.34Å; D551-N553 PolarHBondContact OD1-N 2.89Å; D551-S554 WeakPolarHBondContact OD2-CB 3.32Å; D551-S554 PolarHBondContact OD2-N 2.75Å; D551-S554 PolarHBondContact OD2-OG 3.31Å; D551-Q555 WeakPolarHBondContact O-CA 3.36Å; D551-Q555 PolarHBondContact O-N 3.09Å; D551-Y556 PolarHBondContact N-O 3.41Å
552P75.3Confident79.8Confident63 Ų6354.2 Ų54.241%0.40928%0.279SS..THydrogen-bonded Turntrans-65.1-22175.9-17.530.1000114.4Y541 Y550Y541-P552 HydrophobicContact CD2-CG 3.38Å; Y541-P552 HydrophobicContact CE2-CG 3.43Å; Y541-P552 VanDerWaalsContact CE2-CG 3.43Å; Y541-P552 HydrophobicContact CG-CG 4.44Å; Y550-P552 HydrophobicContact CD1-CG 4.28Å; Y550-P552 HydrophobicContact CE1-CB 4.18Å; Y550-P552 HydrophobicContact CE1-CG 4.18Å
553N76.5Confident79.5Confident146 Ų14658 Ų5878%0.78130%0.299SS*.THydrogen-bonded Turntrans-84-42.3-175.9-171.178000111.5D551D551-N553 PolarHBondContact O-N 3.21Å; D551-N553 VanDerWaalsContact OD1-CB 3.29Å; D551-N553 WeakPolarHBondContact OD1-CB 3.34Å; D551-N553 PolarHBondContact OD1-N 2.89Å
554S78.6Confident79.4Confident59 Ų5962.3 Ų62.341%0.41332%0.319SS..THydrogen-bonded Turntrans-97.9-13.3177.5-42.60000114.1D551 Y556D551-S554 WeakPolarHBondContact OD2-CB 3.32Å; D551-S554 PolarHBondContact OD2-N 2.75Å; D551-S554 PolarHBondContact OD2-OG 3.31Å; S554-Y556 WeakPolarHBondContact O-CD2 3.45Å; S554-Y556 WeakPolarHBondContact O-CE2 3.37Å; S554-Y556 PolarHBondContact O-N 2.95Å
555Q79.4Confident79.9Confident128 Ų12864.5 Ų64.560%0.59832%0.319SS*.  trans61.719.3-177.2-54.6-179.735.600115.4D551D551-Q555 WeakPolarHBondContact O-CA 3.36Å; D551-Q555 PolarHBondContact O-N 3.09Å
556Y84.9Confident80.6Confident99 Ų9960 Ų6039%0.38830%0.299SS..  trans-97.6154.8173.1-68.3-80.4000111.5D551 S554 A578D551-Y556 PolarHBondContact N-O 3.41Å; S554-Y556 WeakPolarHBondContact O-CD2 3.45Å; S554-Y556 WeakPolarHBondContact O-CE2 3.37Å; S554-Y556 PolarHBondContact O-N 2.95Å; Y556-A578 HydrophobicContact CD1-CB 4.18Å; Y556-A578 HydrophobicContact CE1-CB 3.89Å
557Y85.9Confident81.2Confident14 Ų1464.5 Ų64.56%0.05532%0.317CS..EExtended strand (participates in β ladder)trans-101.9108.2173.4-63.3-92.7000108.6Y532 L548 Y550 M566 W568 Y575Y532-Y557 HydrophobicContact CE2-CE1 4Å; Y532-Y557 WeakPolarHBondContact OH-CE1 3.03Å; Y532-Y557 PolarHBondContact OH-OH 3.13Å; L548-Y557 HydrophobicContact CB-CD1 4.34Å; L548-Y557 HydrophobicContact CD1-CD1 4.33Å; L548-Y557 HydrophobicContact CD1-CG 4.42Å; Y550-Y557 AromaticContact CD2-CD1 3.9Å; Y550-Y557 HydrophobicContact CD2-CD1 3.9Å; Y550-Y557 HydrophobicContact CD2-CD2 4.31Å; Y550-Y557 AromaticContact CD2-CE1 3.51Å; Y550-Y557 HydrophobicContact CD2-CE1 3.51Å; Y550-Y557 AromaticContact CD2-CE2 3.96Å; Y550-Y557 HydrophobicContact CD2-CE2 3.96Å; Y550-Y557 HydrophobicContact CD2-CG 4.27Å; Y550-Y557 AromaticContact CD2-CZ 3.55Å; Y550-Y557 HydrophobicContact CE2-CE1 4.36Å; Y550-Y557 HydrophobicContact CE2-CE2 4.2Å; Y550-Y557 AromaticContact CE2-CZ 3.96Å; Y550-Y557 HydrophobicContact CG-CD1 4.43Å; Y550-Y557 HydrophobicContact CG-CE1 4.08Å; Y557-M566 PolarHBondContact N-O 2.97Å; Y557-M566 WeakPolarHBondContact O-CB 3.34Å; Y557-M566 PolarHBondContact O-N 3.27Å; Y557-W568 HydrophobicContact CE2-CB 3.84Å; Y557-Y575 HydrophobicContact CD1-CD1 4.46Å; Y557-Y575 AromaticContact CD1-CE1 3.71Å; Y557-Y575 HydrophobicContact CD1-CE1 3.71Å; Y557-Y575 AromaticContact CD2-CD1 3.95Å; Y557-Y575 HydrophobicContact CD2-CD1 3.95Å; Y557-Y575 AromaticContact CD2-CE1 3.75Å; Y557-Y575 HydrophobicContact CD2-CE1 3.75Å; Y557-Y575 AromaticContact CE1-CE1 3.91Å; Y557-Y575 HydrophobicContact CE1-CE1 3.91Å; Y557-Y575 HydrophobicContact CE2-CD1 4.48Å; Y557-Y575 AromaticContact CE2-CE1 3.96Å; Y557-Y575 HydrophobicContact CE2-CE1 3.96Å; Y557-Y575 AromaticContact CG-CD1 3.95Å; Y557-Y575 HydrophobicContact CG-CD1 3.95Å; Y557-Y575 AromaticContact CG-CE1 3.63Å; Y557-Y575 HydrophobicContact CG-CE1 3.63Å
558Y85.6Confident81.5Confident61 Ų6166.9 Ų66.924%0.23932%0.324CS..EExtended strand (participates in β ladder)trans-82.8123.5175.3179.4-104.5000110.5Y549 A560 Y565Y549-Y558 PolarHBondContact N-O 3.04Å; Y549-Y558 PolarHBondContact O-N 2.61Å; Y558-A560 HydrophobicContact CE1-CB 4.33Å; Y558-Y565 HydrophobicContact CD2-CD1 4.06Å; Y558-Y565 HydrophobicContact CD2-CD2 4.16Å; Y558-Y565 AromaticContact CD2-CE1 3.84Å; Y558-Y565 HydrophobicContact CD2-CE1 3.84Å; Y558-Y565 AromaticContact CD2-CE2 3.93Å; Y558-Y565 HydrophobicContact CD2-CE2 3.93Å; Y558-Y565 HydrophobicContact CD2-CG 4.22Å; Y558-Y565 AromaticContact CD2-CZ 3.77Å; Y558-Y565 HydrophobicContact CE2-CE2 4.26Å; Y558-Y565 HydrophobicContact CG-CE1 4.25Å
559N84.9Confident81.3Confident0 Ų067.9 Ų67.90%033%0.33CS..EExtended strand (participates in β ladder)trans-92109.5174.2-176-23.5000109.5I514 P515 L548 N561 T562 Q563 Q564 M566I514-N559 WeakPolarHBondContact CG2-ND2 3.45Å; P515-N559 PolarHBondContact O-ND2 3.49Å; L548-N559 HydrophobicContact CD2-CB 3.57Å; N559-N561 PolarHBondContact O-N 3.16Å; N559-N561 WeakPolarHBondContact OD1-CB 3.39Å; N559-N561 PolarHBondContact OD1-N 2.73Å; N559-N561 PolarHBondContact OD1-ND2 3.06Å; N559-T562 WeakPolarHBondContact CB-OG1 3.29Å; N559-T562 VanDerWaalsContact CG-OG1 3.26Å; N559-T562 PolarHBondContact ND2-OG1 2.95Å; N559-T562 PolarHBondContact O-N 2.87Å; N559-T562 PolarHBondContact OD1-N 3.32Å; N559-Q563 VanDerWaalsContact O-CA 3.28Å; N559-Q563 WeakPolarHBondContact O-CA 3.33Å; N559-Q563 PolarHBondContact O-N 2.97Å; N559-Q564 PolarHBondContact N-O 2.93Å; N559-M566 HydrophobicContact CB-SD 4.1Å
560A77.4Confident80.9Confident43 Ų4367.3 Ų67.336%0.35534%0.344SS..THydrogen-bonded Turntrans-63.5-21.6-177.800000114Y549 Y558Y549-A560 HydrophobicContact CD2-CB 4.04Å; Y549-A560 HydrophobicContact CE2-CB 3.75Å; Y558-A560 HydrophobicContact CE1-CB 4.33Å
561N72.4Confident80.2Confident101 Ų10174.2 Ų74.254%0.5438%0.377SS..THydrogen-bonded Turntrans-87.3-38-176.8-53.4-77.9000112.1I514 N559I514-N561 WeakPolarHBondContact CD1-ND2 3.07Å; I514-N561 HydrophobicContact CG2-CB 4.44Å; N559-N561 PolarHBondContact O-N 3.16Å; N559-N561 WeakPolarHBondContact OD1-CB 3.39Å; N559-N561 PolarHBondContact OD1-N 2.73Å; N559-N561 PolarHBondContact OD1-ND2 3.06Å
562T71.8Confident79.6Confident46 Ų4678.8 Ų78.828%0.28240%0.396SS..THydrogen-bonded Turntrans-95.9-9.2177.163.90000113.4N559 Q564N559-T562 WeakPolarHBondContact CB-OG1 3.29Å; N559-T562 VanDerWaalsContact CG-OG1 3.26Å; N559-T562 PolarHBondContact ND2-OG1 2.95Å; N559-T562 PolarHBondContact O-N 2.87Å; N559-T562 PolarHBondContact OD1-N 3.32Å; T562-Q564 PolarHBondContact O-N 3.38Å
563Q78.1Confident79.8Confident148 Ų14878.8 Ų78.869%0.69239%0.39SS*.THydrogen-bonded Turntrans56.724.5-174.7-54.8-175.29.900114.1N559N559-Q563 VanDerWaalsContact O-CA 3.28Å; N559-Q563 WeakPolarHBondContact O-CA 3.33Å; N559-Q563 PolarHBondContact O-N 2.97Å
564Q81.3Confident80Confident100 Ų10073.1 Ų73.147%0.46736%0.361SS..EExtended strand (participates in β ladder)trans-106.2140.1-179.8-69.5177.317.600111.5N559 T562N559-Q564 PolarHBondContact N-O 2.93Å; T562-Q564 PolarHBondContact O-N 3.38Å
565Y84Confident80.1Confident117 Ų11770.8 Ų70.846%0.45934%0.343SS..EExtended strand (participates in β ladder)trans-76.8132.6163.4-68.4-85.9000109Y558 A578Y558-Y565 HydrophobicContact CD2-CD1 4.06Å; Y558-Y565 HydrophobicContact CD2-CD2 4.16Å; Y558-Y565 AromaticContact CD2-CE1 3.84Å; Y558-Y565 HydrophobicContact CD2-CE1 3.84Å; Y558-Y565 AromaticContact CD2-CE2 3.93Å; Y558-Y565 HydrophobicContact CD2-CE2 3.93Å; Y558-Y565 HydrophobicContact CD2-CG 4.22Å; Y558-Y565 AromaticContact CD2-CZ 3.77Å; Y558-Y565 HydrophobicContact CE2-CE2 4.26Å; Y558-Y565 HydrophobicContact CG-CE1 4.25Å; Y565-A578 WeakPolarHBondContact O-CB 3.22Å; Y565-A578 PolarHBondContact O-N 3.23Å
566M85.1Confident80.3Confident13 Ų1366.4 Ų66.46%0.06433%0.326CS..EExtended strand (participates in β ladder)trans-124.3154.8179.2-47.5-174.179.100109P515 L548 Y557 N559 Y575 T576P515-M566 HydrophobicContact CB-CE 4.01Å; P515-M566 HydrophobicContact CB-SD 4.22Å; L548-M566 HydrophobicContact CD2-SD 4.42Å; Y557-M566 PolarHBondContact N-O 2.97Å; Y557-M566 WeakPolarHBondContact O-CB 3.34Å; Y557-M566 PolarHBondContact O-N 3.27Å; N559-M566 HydrophobicContact CB-SD 4.1Å; M566-Y575 WeakPolarHBondContact CE-O 3.34Å; M566-T576 CarbonylContact C-O 3.48Å; M566-T576 VanDerWaalsContact CA-O 3.23Å; M566-T576 WeakPolarHBondContact CA-O 3.24Å
567Y85.8Confident80.1Confident98 Ų9865 Ų6538%0.38433%0.329SS..EExtended strand (participates in β ladder)trans-120.8152.6170.566.4-86.3000110.2D569 Y575 T576 A578Y567-D569 HydrophobicContact CE2-CB 4.41Å; Y567-D569 PolarHBondContact O-N 3.29Å; Y567-Y575 WeakPolarHBondContact O-CA 3.45Å; Y567-T576 VanDerWaalsContact CD1-O 3.28Å; Y567-T576 WeakPolarHBondContact CD1-O 3.33Å; Y567-T576 HydrophobicContact CE1-CG2 3.84Å; Y567-T576 PolarHBondContact N-O 3.45Å; Y567-T576 PolarHBondContact O-N 3.03Å; Y567-T576 WeakPolarHBondContact OH-CG2 3.27Å; Y567-A578 HydrophobicContact CD1-CB 4.4Å
568W83.6Confident79.5Confident53 Ų5365.9 Ų65.920%0.20134%0.339CS..EExtended strand (participates in β ladder)trans-76.4118.1175.1176.3-108.2000110.6P525 P527 Y557 Q573 Y575P525-W568 WeakPolarHBondContact O-CH2 3.34Å; P527-W568 VanDerWaalsContact CD-CZ2 3.43Å; P527-W568 HydrophobicContact CG-CD2 3.53Å; P527-W568 HydrophobicContact CG-CE3 3.47Å; P527-W568 VanDerWaalsContact CG-CE3 3.47Å; P527-W568 HydrophobicContact CG-CG 4.07Å; P527-W568 HydrophobicContact CG-CH2 4.09Å; P527-W568 HydrophobicContact CG-CZ2 4.18Å; P527-W568 HydrophobicContact CG-CZ3 3.75Å; Y557-W568 HydrophobicContact CE2-CB 3.84Å; W568-Q573 HydrophobicContact CH2-CB 3.83Å; W568-Q573 WeakPolarHBondContact CH2-O 3.45Å; W568-Q573 VanDerWaalsContact CZ2-CA 3.43Å; W568-Q573 HydrophobicContact CZ2-CB 3.89Å; W568-Q573 HydrophobicContact CZ2-CG 4.09Å; W568-Q573 VanDerWaalsContact CZ3-C 3.46Å; W568-Y575 HydrophobicContact CE3-CD1 4.05Å; W568-Y575 HydrophobicContact CE3-CD2 4.23Å; W568-Y575 AromaticContact CE3-CE1 3.82Å; W568-Y575 HydrophobicContact CE3-CE1 3.82Å; W568-Y575 HydrophobicContact CE3-CE2 4.01Å; W568-Y575 HydrophobicContact CE3-CG 4.26Å; W568-Y575 AromaticContact CE3-CZ 3.83Å; W568-Y575 HydrophobicContact CZ3-CD2 4.21Å; W568-Y575 AromaticContact CZ3-CE2 3.89Å; W568-Y575 HydrophobicContact CZ3-CE2 3.89Å
569D80.8Confident78.3Confident22 Ų2267.9 Ų67.912%0.11837%0.368CS..EExtended strand (participates in β ladder)trans-90.2107.4168.8-174.2-24.4000109.4Y567 E571 K572 Q573 T574Y567-D569 HydrophobicContact CE2-CB 4.41Å; Y567-D569 PolarHBondContact O-N 3.29Å; D569-E571 VanDerWaalsContact C-N 3.29Å; D569-E571 PolarHBondContact O-N 3.1Å; D569-E571 WeakPolarHBondContact OD1-CA 3.49Å; D569-E571 WeakPolarHBondContact OD1-CB 3.48Å; D569-E571 PolarHBondContact OD1-N 3.08Å; D569-K572 HydrophobicContact CB-CB 4.31Å; D569-K572 PolarHBondContact O-N 3.49Å; D569-K572 PolarHBondContact OD1-N 3.31Å; D569-K572 IonicContact OD1-NZ 2.62Å; D569-K572 WeakPolarHBondContact OD2-CD 3.27Å; D569-K572 WeakPolarHBondContact OD2-CE 3.49Å; D569-K572 IonicContact OD2-NZ 2.72Å; D569-K572 PolarHBondContact OD2-NZ 3.27Å; D569-Q573 WeakPolarHBondContact O-CA 3.28Å; D569-Q573 PolarHBondContact O-N 3.29Å; D569-T574 PolarHBondContact N-O 3.1Å; D569-T574 PolarHBondContact O-N 3.31Å
570G76.9Confident76.5Confident54 Ų5473 Ų7356%0.55740%0.403SS*.THydrogen-bonded Turntrans-68.5-19.7178.900000115.1
571E72.8Confident74.9Confident173 Ų17380.4 Ų80.481%0.80843%0.431SS*.THydrogen-bonded Turntrans-80.6-28.1175.1-59.5-173.4156.900112.1D569D569-E571 VanDerWaalsContact C-N 3.29Å; D569-E571 PolarHBondContact O-N 3.1Å; D569-E571 WeakPolarHBondContact OD1-CA 3.49Å; D569-E571 WeakPolarHBondContact OD1-CB 3.48Å; D569-E571 PolarHBondContact OD1-N 3.08Å
572K70.9Confident73.1Confident117 Ų11780.8 Ų80.851%0.50944%0.441SS..THydrogen-bonded Turntrans-109.5-5.4-175.4-58.5173.3-167.552.50113.1D569 T574D569-K572 HydrophobicContact CB-CB 4.31Å; D569-K572 PolarHBondContact O-N 3.49Å; D569-K572 PolarHBondContact OD1-N 3.31Å; D569-K572 IonicContact OD1-NZ 2.62Å; D569-K572 WeakPolarHBondContact OD2-CD 3.27Å; D569-K572 WeakPolarHBondContact OD2-CE 3.49Å; D569-K572 IonicContact OD2-NZ 2.72Å; D569-K572 PolarHBondContact OD2-NZ 3.27Å; K572-T574 PolarHBondContact O-N 2.86Å; K572-T574 PolarHBondContact O-OG1 3.25Å
573Q78.2Confident71.4Confident62 Ų6286.5 Ų86.529%0.2947%0.47SS..THydrogen-bonded Turntrans45.746.3-174.9-64.9-174.6-33.500112.3Q523 Y524 W568 D569Q523-Q573 HydrophobicContact CG-CB 4.04Å; Y524-Q573 PolarHBondContact N-O 2.62Å; W568-Q573 HydrophobicContact CH2-CB 3.83Å; W568-Q573 WeakPolarHBondContact CH2-O 3.45Å; W568-Q573 VanDerWaalsContact CZ2-CA 3.43Å; W568-Q573 HydrophobicContact CZ2-CB 3.89Å; W568-Q573 HydrophobicContact CZ2-CG 4.09Å; W568-Q573 VanDerWaalsContact CZ3-C 3.46Å; D569-Q573 WeakPolarHBondContact O-CA 3.28Å; D569-Q573 PolarHBondContact O-N 3.29Å
574T82Confident69.1Low28 Ų2884 Ų8417%0.17248%0.475CS..EExtended strand (participates in β ladder)trans-147.7145.7-169.7-65.70000110.1D569 K572D569-T574 PolarHBondContact N-O 3.1Å; D569-T574 PolarHBondContact O-N 3.31Å; K572-T574 PolarHBondContact O-N 2.86Å; K572-T574 PolarHBondContact O-OG1 3.25Å
575Y80.5Confident66.7Low9 Ų988.7 Ų88.74%0.03550%0.497CS..EExtended strand (participates in β ladder)trans-79.3121.4174.4-62.5-84000110.4P515 Y524 P527 T546 L548 Y557 M566 Y567 W568P515-Y575 HydrophobicContact CG-CD2 3.66Å; P515-Y575 HydrophobicContact CG-CE2 4.46Å; P515-Y575 HydrophobicContact CG-CG 4.15Å; Y524-Y575 HydrophobicContact CD1-CE2 4.24Å; Y524-Y575 HydrophobicContact CD2-CD2 4.21Å; Y524-Y575 HydrophobicContact CD2-CE2 4.45Å; Y524-Y575 HydrophobicContact CE2-CD2 4.38Å; Y524-Y575 HydrophobicContact CG-CD2 4.34Å; Y524-Y575 HydrophobicContact CG-CE2 4.13Å; P527-Y575 HydrophobicContact CG-CE1 4.28Å; P527-Y575 VanDerWaalsContact CG-OH 3.25Å; P527-Y575 WeakPolarHBondContact CG-OH 3.41Å; T546-Y575 HydrophobicContact CG2-CE2 3.83Å; L548-Y575 HydrophobicContact CD1-CD1 3.61Å; L548-Y575 HydrophobicContact CD1-CD2 3.84Å; L548-Y575 HydrophobicContact CD1-CE1 3.54Å; L548-Y575 HydrophobicContact CD1-CE2 3.76Å; L548-Y575 HydrophobicContact CD1-CG 3.74Å; Y557-Y575 HydrophobicContact CD1-CD1 4.46Å; Y557-Y575 AromaticContact CD1-CE1 3.71Å; Y557-Y575 HydrophobicContact CD1-CE1 3.71Å; Y557-Y575 AromaticContact CD2-CD1 3.95Å; Y557-Y575 HydrophobicContact CD2-CD1 3.95Å; Y557-Y575 AromaticContact CD2-CE1 3.75Å; Y557-Y575 HydrophobicContact CD2-CE1 3.75Å; Y557-Y575 AromaticContact CE1-CE1 3.91Å; Y557-Y575 HydrophobicContact CE1-CE1 3.91Å; Y557-Y575 HydrophobicContact CE2-CD1 4.48Å; Y557-Y575 AromaticContact CE2-CE1 3.96Å; Y557-Y575 HydrophobicContact CE2-CE1 3.96Å; Y557-Y575 AromaticContact CG-CD1 3.95Å; Y557-Y575 HydrophobicContact CG-CD1 3.95Å; Y557-Y575 AromaticContact CG-CE1 3.63Å; Y557-Y575 HydrophobicContact CG-CE1 3.63Å; M566-Y575 WeakPolarHBondContact CE-O 3.34Å; Y567-Y575 WeakPolarHBondContact O-CA 3.45Å; W568-Y575 HydrophobicContact CE3-CD1 4.05Å; W568-Y575 HydrophobicContact CE3-CD2 4.23Å; W568-Y575 AromaticContact CE3-CE1 3.82Å; W568-Y575 HydrophobicContact CE3-CE1 3.82Å; W568-Y575 HydrophobicContact CE3-CE2 4.01Å; W568-Y575 HydrophobicContact CE3-CG 4.26Å; W568-Y575 AromaticContact CE3-CZ 3.83Å; W568-Y575 HydrophobicContact CZ3-CD2 4.21Å; W568-Y575 AromaticContact CZ3-CE2 3.89Å; W568-Y575 HydrophobicContact CZ3-CE2 3.89Å
576T82.6Confident64.2Low37 Ų3787 Ų8723%0.22752%0.515CS..EExtended strand (participates in β ladder)trans-106.5132.2-179.6-56.60000109.7M566 Y567 A578M566-T576 CarbonylContact C-O 3.48Å; M566-T576 VanDerWaalsContact CA-O 3.23Å; M566-T576 WeakPolarHBondContact CA-O 3.24Å; Y567-T576 VanDerWaalsContact CD1-O 3.28Å; Y567-T576 WeakPolarHBondContact CD1-O 3.33Å; Y567-T576 HydrophobicContact CE1-CG2 3.84Å; Y567-T576 PolarHBondContact N-O 3.45Å; Y567-T576 PolarHBondContact O-N 3.03Å; Y567-T576 WeakPolarHBondContact OH-CG2 3.27Å; T576-A578 PolarHBondContact O-N 2.91Å
577P80.7Confident61.5Low69 Ų6991.3 Ų91.345%0.44855%0.553SS.*EExtended strand (participates in β ladder)trans-65135.3178.826.6-34.4000111.6
578A73.4Confident58.8Low32 Ų3292.4 Ų92.426%0.26458%0.575SS.*PPolyproline II helixtrans-81.4128.6172.300000109.7Y556 Y565 Y567 T576 S580Y556-A578 HydrophobicContact CD1-CB 4.18Å; Y556-A578 HydrophobicContact CE1-CB 3.89Å; Y565-A578 WeakPolarHBondContact O-CB 3.22Å; Y565-A578 PolarHBondContact O-N 3.23Å; Y567-A578 HydrophobicContact CD1-CB 4.4Å; T576-A578 PolarHBondContact O-N 2.91Å; A578-S580 PolarHBondContact O-N 2.82Å
579A61.9Low56.3Low103 Ų10396.2 Ų96.285%0.85160%0.604SS**PPolyproline II helixtrans-63.5123.1175.300000110.3Q581A579-Q581 PolarHBondContact O-N 3.39Å
580S46.2Very low53.9Low107 Ų107103.1 Ų103.175%0.74863%0.633SS**PPolyproline II helixtrans-68.7126.8-176.744.10000111.8A578 S582A578-S580 PolarHBondContact O-N 2.82Å; S580-S582 PolarHBondContact O-N 3.11Å; S580-S582 VanDerWaalsContact O-N 3.07Å
581Q44.2Very low51.5Low199 Ų199107 Ų10793%0.9364%0.641SS**  trans-78.686.6169.1-68.8-172.92.700109.4A579A579-Q581 PolarHBondContact O-N 3.39Å
582S35.2Very low49.3Very low109 Ų109102.1 Ų102.176%0.76264%0.637SS**  trans-77.5131.6168.449.60000110.5S580S580-S582 PolarHBondContact O-N 3.11Å; S580-S582 VanDerWaalsContact O-N 3.07Å
583N34.3Very low47.2Very low166 Ų166101.5 Ų101.589%0.88865%0.653SS**  trans-12295.5174-173.633.3000108.6
584A30Very low44.7Very low97 Ų97104.3 Ų104.380%0.80268%0.68SS**  trans-156.2141.4179.100000111
585E32.4Very low42.2Very low198 Ų198108 Ų10893%0.92571%0.707SS**  trans-102.5140.4179-63.9177.2100.100112
586G30.8Very low39.6Very low81 Ų81112 Ų11284%0.83574%0.736SS**  trans81.7110.2145.700000120.7
587A27.5Very low36.9Very low104 Ų104117.6 Ų117.686%0.8677%0.765SS**  trans-174.2159.5136.100000110.8
588S28.8Very low34.4Very low120 Ų120118.3 Ų118.384%0.83977%0.772SS**  trans-143.2130.1-173.2-48.60000114.9
589V31.4Very low32.2Very low134 Ų134123.1 Ų123.181%0.81280%0.798SS**  trans-155.6118.7157.5-161.70000104.7
590K30.3Very low30.6Very low166 Ų166122.4 Ų122.472%0.72279%0.792SS**  56.8142.674.1-70.5-173.6145.7-72.80113.9
591D26.3Very low29.8Very low136 Ų136122.8 Ų122.873%0.72779%0.794SS**  cis-155.3161.9-18.6-79.8-40.3000105.1
592G27.8Very low29.1Very low70 Ų70122.1 Ų122.172%0.72279%0.788SS**  cis167.2-166.6-0.100000111.1
593A26.3Very low29Very low104 Ų104124.5 Ų124.586%0.8679%0.788SS**  trans74.9117.4165.400000122.3
594S26.4Very low29.2Very low122 Ų122126.6 Ų126.685%0.85379%0.789SS**  trans4.1143.4148.5-55.20000123.6
595S28.5Very low29.3Very low106 Ų106132.1 Ų132.174%0.74180%0.795SS**  -177.4150.488.7-163.50000115.1
596S27.2Very low29.3Very low93 Ų93131.6 Ų131.665%0.6579%0.792SS**  trans24.8116.7149.858.50000120.5
597D24.3Very low29.6Very low154 Ų154137.3 Ų137.382%0.82479%0.794SS**  86.9132.691.1-159.542.5000111.8
598S29.3Very low30.2Very low84 Ų84137.8 Ų137.859%0.58779%0.788SS**  cis-157.6157.433.353.80000116.6
599T27.4Very low31.1Very low133 Ų133140.2 Ų140.282%0.81678%0.784SS**  trans49.4135.315155.40000124.2
600A27.4Very low32.1Very low88 Ų88138.5 Ų138.573%0.72778%0.778SS**  trans121.289134.500000120.1
601S29.5Very low33.4Very low114 Ų114138.4 Ų138.480%0.79778%0.777SS**  72.4115.2124.7-56.10000123.6
602K30.1Very low35.2Very low186 Ų186135.8 Ų135.881%0.80977%0.767SS**  trans70.8149.5139.2-98.2-168.5160.8-146.40118.1
603E33.4Very low36.8Very low159 Ų159135.7 Ų135.774%0.74376%0.759SS**  cis-130.2177.45.7-66.2-155.1117.500113.9
604K37.2Very low39.2Very low210 Ų210137.6 Ų137.691%0.91375%0.75SS**  trans-93.3149.9-177.9-61.4174.1179.1175.40112.6
605K32.8Very low41.6Very low213 Ų213138.6 Ų138.693%0.92674%0.741SS**  trans-143148149.9-159.7165.3-175.91750110.4
606E32.9Very low44Very low186 Ų186138.1 Ų138.187%0.86973%0.729SS**PPolyproline II helixtrans-85.3153-158.2-60.1179.1102.100115.8
607K36.4Very low46.4Very low201 Ų201136.5 Ų136.587%0.87472%0.721SS**PPolyproline II helixtrans-99.9120164.1-88.6-175.3173.6178.10110.6
608P41.6Very low49.5Very low115 Ų115135.9 Ų135.975%0.74771%0.711SS**PPolyproline II helixtrans-80123.7171.229.6-31.9000113.1
609K46.3Very low52Low170 Ų170137 Ų13774%0.73971%0.711SS**  trans60.669.3138.6-54.6175.7-175177.40118.5K611K609-K611 PolarHBondContact O-N 3.39Å
610S53.8Low54.5Low98 Ų98136.3 Ų136.369%0.68570%0.7SS**THydrogen-bonded Turntrans-62.4-19.5162.354.40000114.6T612 A613S610-T612 VanDerWaalsContact C-N 3.29Å; S610-T612 PolarHBondContact O-N 2.91Å; S610-A613 PolarHBondContact O-N 3.38Å
611K57Low57.4Low165 Ų165136.8 Ų136.872%0.71769%0.687SS**Hα-helixtrans-58.3-36.3-178.2-66.8-175.9176.4-178.50113.1K609 A613 Q614 Q615K609-K611 PolarHBondContact O-N 3.39Å; K611-A613 PolarHBondContact O-N 2.87Å; K611-Q614 PolarHBondContact O-N 3.42Å; K611-Q615 PolarHBondContact O-N 2.86Å; K611-Q615 VanDerWaalsContact O-N 3.08Å
612T64.4Low60Low81 Ų81139.8 Ų139.850%0.49768%0.681SS.*Hα-helixtrans-63.2-42.1-176.6-50.70000112.5S610 Q615 I616S610-T612 VanDerWaalsContact C-N 3.29Å; S610-T612 PolarHBondContact O-N 2.91Å; T612-Q615 PolarHBondContact O-N 3.48Å; T612-I616 HydrophobicContact CG2-CD1 4.09Å; T612-I616 WeakPolarHBondContact O-CG1 3.42Å; T612-I616 PolarHBondContact O-N 3.37Å
613A61.6Low62Low68 Ų68139.4 Ų139.456%0.56267%0.674SS**Hα-helixtrans-66-40.9-179.500000112.5S610 K611 Q615 I616 A617S610-A613 PolarHBondContact O-N 3.38Å; K611-A613 PolarHBondContact O-N 2.87Å; A613-Q615 VanDerWaalsContact C-N 3.31Å; A613-Q615 PolarHBondContact O-N 3.08Å; A613-I616 PolarHBondContact O-N 3.38Å; A613-A617 PolarHBondContact O-N 3.04Å
614Q75.1Confident64.5Low144 Ų144134.1 Ų134.167%0.67366%0.657SS**Hα-helixtrans-67.7-31.8175.2-72.3-176.3-25.800112.5K611 K618K611-Q614 PolarHBondContact O-N 3.42Å; Q614-K618 PolarHBondContact O-N 3.47Å
615Q77.4Confident66.7Low142 Ų142130.4 Ų130.466%0.66464%0.641SS**Hα-helixtrans-71.2-42.3175.9-168161.9-11.800111.7K611 T612 A613 A617 K618 D619K611-Q615 PolarHBondContact O-N 2.86Å; K611-Q615 VanDerWaalsContact O-N 3.08Å; T612-Q615 PolarHBondContact O-N 3.48Å; A613-Q615 VanDerWaalsContact C-N 3.31Å; A613-Q615 PolarHBondContact O-N 3.08Å; Q615-A617 PolarHBondContact O-N 3.45Å; Q615-K618 PolarHBondContact O-N 3.41Å; Q615-D619 WeakPolarHBondContact O-CB 3.47Å; Q615-D619 PolarHBondContact O-N 2.93Å
616I78.2Confident69.2Low97 Ų97123.5 Ų123.550%0.49762%0.62SS.*Hα-helixtrans-58.6-46.2171.6-67.6164000110.8T612 A613 K618 D619 M620T612-I616 HydrophobicContact CG2-CD1 4.09Å; T612-I616 WeakPolarHBondContact O-CG1 3.42Å; T612-I616 PolarHBondContact O-N 3.37Å; A613-I616 PolarHBondContact O-N 3.38Å; I616-K618 PolarHBondContact O-N 3.36Å; I616-D619 PolarHBondContact O-N 3.46Å; I616-M620 HydrophobicContact CG2-CG 4.42Å; I616-M620 HydrophobicContact CG2-SD 4.09Å; I616-M620 WeakPolarHBondContact O-CG 3.28Å; I616-M620 PolarHBondContact O-N 2.93Å
617A78.5Confident71.7Confident58 Ų58118.9 Ų118.948%0.47960%0.601SS.*Hα-helixtrans-60.4-44.7178.300000112.6A613 Q615 D619 E621A613-A617 PolarHBondContact O-N 3.04Å; Q615-A617 PolarHBondContact O-N 3.45Å; A617-D619 VanDerWaalsContact C-N 3.33Å; A617-D619 PolarHBondContact O-N 3.19Å; A617-E621 PolarHBondContact O-N 2.71Å
618K89.3Confident73.9Confident141 Ų141113.5 Ų113.561%0.61358%0.582SS**Hα-helixtrans-64.4-34.7175-97.8179.6174.5173.60113.1Q614 Q615 I616 E621 R622Q614-K618 PolarHBondContact O-N 3.47Å; Q615-K618 PolarHBondContact O-N 3.41Å; I616-K618 PolarHBondContact O-N 3.36Å; K618-E621 PolarHBondContact O-N 2.86Å; K618-R622 VanDerWaalsContact O-CG 3.3Å; K618-R622 WeakPolarHBondContact O-CG 3.47Å; K618-R622 PolarHBondContact O-N 3.33Å
619D82.6Confident75.8Confident108 Ų108116.5 Ų116.558%0.57858%0.578SS**Hα-helixtrans-75.2-39.2179.8-157.651.9000111.8Q615 I616 A617 E621 R622 W623Q615-D619 WeakPolarHBondContact O-CB 3.47Å; Q615-D619 PolarHBondContact O-N 2.93Å; I616-D619 PolarHBondContact O-N 3.46Å; A617-D619 VanDerWaalsContact C-N 3.33Å; A617-D619 PolarHBondContact O-N 3.19Å; D619-E621 VanDerWaalsContact C-N 3.3Å; D619-E621 PolarHBondContact O-N 2.9Å; D619-R622 PolarHBondContact O-N 3.05Å; D619-W623 WeakPolarHBondContact O-CB 3.45Å; D619-W623 PolarHBondContact O-N 3.01Å
620M79.9Confident77.1Confident118 Ų118114.5 Ų114.558%0.58157%0.571SS**Hα-helixtrans-58.9-40.3168.7-70.7-179.570.700112.2I616 W623 A624I616-M620 HydrophobicContact CG2-CG 4.42Å; I616-M620 HydrophobicContact CG2-SD 4.09Å; I616-M620 WeakPolarHBondContact O-CG 3.28Å; I616-M620 PolarHBondContact O-N 2.93Å; M620-W623 PolarHBondContact O-N 3.46Å; M620-A624 WeakPolarHBondContact O-CB 3.5Å; M620-A624 PolarHBondContact O-N 3.42Å
621E88.1Confident78.5Confident98 Ų98115.3 Ų115.346%0.45856%0.563SS.*Hα-helixtrans-64.8-43.2175.5-162.9-157.815300112A617 K618 D619 A624 K625A617-E621 PolarHBondContact O-N 2.71Å; K618-E621 PolarHBondContact O-N 2.86Å; D619-E621 VanDerWaalsContact C-N 3.3Å; D619-E621 PolarHBondContact O-N 2.9Å; E621-A624 PolarHBondContact O-N 3Å; E621-K625 HydrophobicContact CG-CD 4.47Å; E621-K625 WeakPolarHBondContact O-CB 3.48Å; E621-K625 WeakPolarHBondContact O-CG 3.31Å; E621-K625 PolarHBondContact O-N 3.23Å; E621-K625 WeakPolarHBondContact OE1-CE 3.43Å; E621-K625 IonicContact OE1-NZ 3.63Å; E621-K625 PolarHBondContact OE1-NZ 3.45Å
622R82.9Confident78.9Confident177 Ų177113.4 Ų113.467%0.66856%0.556SS**Hα-helixtrans-64.4-41.9175.1-75.4174.1177.4-80.71.2111.9K618 D619 K625 S626K618-R622 VanDerWaalsContact O-CG 3.3Å; K618-R622 WeakPolarHBondContact O-CG 3.47Å; K618-R622 PolarHBondContact O-N 3.33Å; D619-R622 PolarHBondContact O-N 3.05Å; R622-K625 PolarHBondContact O-N 2.9Å; R622-S626 WeakPolarHBondContact O-CB 3.3Å; R622-S626 PolarHBondContact O-N 2.81Å
623W71.9Confident78.8Confident179 Ų179114.1 Ų114.168%0.67856%0.557SS**Hα-helixtrans-63.4-46.4176.4-177.557000111.6D619 M620 K625 S626 L627D619-W623 WeakPolarHBondContact O-CB 3.45Å; D619-W623 PolarHBondContact O-N 3.01Å; M620-W623 PolarHBondContact O-N 3.46Å; W623-K625 PolarHBondContact O-N 2.93Å; W623-S626 PolarHBondContact O-N 3Å; W623-L627 WeakPolarHBondContact O-CB 3.44Å; W623-L627 PolarHBondContact O-N 3.4Å
624A85.9Confident78.4Confident47 Ų47117.2 Ų117.239%0.38856%0.562SS.*Hα-helixtrans-61.5-41.9175.900000112.6M620 E621 L627 N628M620-A624 WeakPolarHBondContact O-CB 3.5Å; M620-A624 PolarHBondContact O-N 3.42Å; E621-A624 PolarHBondContact O-N 3Å; A624-L627 PolarHBondContact O-N 3.32Å; A624-N628 PolarHBondContact O-N 3.09Å
625K84.1Confident77.5Confident132 Ų132118.2 Ų118.257%0.57456%0.559SS**Hα-helixtrans-64.5-40.4174.4-77.3173.1171.3174.70112.2E621 R622 W623 R629E621-K625 HydrophobicContact CG-CD 4.47Å; E621-K625 WeakPolarHBondContact O-CB 3.48Å; E621-K625 WeakPolarHBondContact O-CG 3.31Å; E621-K625 PolarHBondContact O-N 3.23Å; E621-K625 WeakPolarHBondContact OE1-CE 3.43Å; E621-K625 IonicContact OE1-NZ 3.63Å; E621-K625 PolarHBondContact OE1-NZ 3.45Å; R622-K625 PolarHBondContact O-N 2.9Å; W623-K625 PolarHBondContact O-N 2.93Å; K625-R629 WeakPolarHBondContact O-CB 3.42Å; K625-R629 PolarHBondContact O-N 3.06Å
626S86.2Confident76.1Confident68 Ų68115.2 Ų115.248%0.47655%0.554SS.*Hα-helixtrans-64.2-44.5174.7-165.60000112R622 W623 N628 R629 Q630R622-S626 WeakPolarHBondContact O-CB 3.3Å; R622-S626 PolarHBondContact O-N 2.81Å; W623-S626 PolarHBondContact O-N 3Å; S626-N628 PolarHBondContact O-N 3.23Å; S626-R629 PolarHBondContact O-N 3.43Å; S626-Q630 WeakPolarHBondContact O-CB 3.44Å; S626-Q630 PolarHBondContact O-N 3.5Å
627L84.6Confident74.6Confident90 Ų90116.7 Ų116.747%0.47157%0.567SS.*Hα-helixtrans-60.7-44.9177.4-168.682.2000111.9W623 A624 Q630 K631W623-L627 WeakPolarHBondContact O-CB 3.44Å; W623-L627 PolarHBondContact O-N 3.4Å; A624-L627 PolarHBondContact O-N 3.32Å; L627-Q630 PolarHBondContact O-N 3.28Å; L627-K631 VanDerWaalsContact O-CB 3.3Å; L627-K631 WeakPolarHBondContact O-CB 3.4Å; L627-K631 PolarHBondContact O-N 3.48Å
628N83.5Confident72.8Confident88 Ų88118.6 Ų118.647%0.47158%0.577SS.*Hα-helixtrans-67-42.9176.9-83.7-8.7000111.9A624 S626 Q630 K631 E632A624-N628 PolarHBondContact O-N 3.09Å; S626-N628 PolarHBondContact O-N 3.23Å; N628-Q630 VanDerWaalsContact C-N 3.31Å; N628-Q630 PolarHBondContact O-N 3.45Å; N628-K631 CarbonylContact O-C 3.6Å; N628-K631 WeakPolarHBondContact O-CB 3.39Å; N628-K631 PolarHBondContact O-N 3.09Å; N628-K631 VanDerWaalsContact O-N 3.11Å; N628-E632 WeakPolarHBondContact O-CB 3.36Å; N628-E632 WeakPolarHBondContact O-CG 3.34Å; N628-E632 PolarHBondContact O-N 3.2Å
629R81.3Confident70.1Confident177 Ų177115.9 Ų115.967%0.66858%0.575SS**Hα-helixtrans-59.1-40.9173.4-179.2175.8174-121.73.7112K625 S626 E632 N633K625-R629 WeakPolarHBondContact O-CB 3.42Å; K625-R629 PolarHBondContact O-N 3.06Å; S626-R629 PolarHBondContact O-N 3.43Å; R629-E632 PolarHBondContact O-N 3Å; R629-N633 WeakPolarHBondContact O-CB 3.47Å; R629-N633 PolarHBondContact O-N 2.82Å; R629-N633 PolarHBondContact O-OD1 2.86Å
630Q73.8Confident67.7Low129 Ų129116.3 Ų116.360%0.60359%0.587SS**Hα-helixtrans-65.9-40.1174.8-169.9175.86.700111.8S626 L627 N628 E632 N633 M634S626-Q630 WeakPolarHBondContact O-CB 3.44Å; S626-Q630 PolarHBondContact O-N 3.5Å; L627-Q630 PolarHBondContact O-N 3.28Å; N628-Q630 VanDerWaalsContact C-N 3.31Å; N628-Q630 PolarHBondContact O-N 3.45Å; Q630-E632 VanDerWaalsContact C-N 3.33Å; Q630-N633 PolarHBondContact O-N 3.27Å; Q630-M634 VanDerWaalsContact O-CG 3.27Å; Q630-M634 WeakPolarHBondContact O-CG 3.29Å; Q630-M634 PolarHBondContact O-N 2.92Å
631K81.4Confident65.7Low115 Ų115117 Ų11750%0.560%0.601SS.*Hα-helixtrans-66.6-32.3176-172.1176.8-177.9178.20112.7L627 N628 R635L627-K631 VanDerWaalsContact O-CB 3.3Å; L627-K631 WeakPolarHBondContact O-CB 3.4Å; L627-K631 PolarHBondContact O-N 3.48Å; N628-K631 CarbonylContact O-C 3.6Å; N628-K631 WeakPolarHBondContact O-CB 3.39Å; N628-K631 PolarHBondContact O-N 3.09Å; N628-K631 VanDerWaalsContact O-N 3.11Å; K631-R635 VanDerWaalsContact O-CG 3.31Å; K631-R635 WeakPolarHBondContact O-CG 3.45Å; K631-R635 PolarHBondContact O-N 2.9Å
632E66.5Low62.9Low124 Ų124117.1 Ų117.158%0.57962%0.618SS**Hα-helixtrans-75.6-42.9173.9-74.8174171.800111.8N628 R629 Q630 M634 R635 S636N628-E632 WeakPolarHBondContact O-CB 3.36Å; N628-E632 WeakPolarHBondContact O-CG 3.34Å; N628-E632 PolarHBondContact O-N 3.2Å; R629-E632 PolarHBondContact O-N 3Å; Q630-E632 VanDerWaalsContact C-N 3.33Å; E632-M634 PolarHBondContact O-N 3.23Å; E632-R635 CarbonylContact O-C 3.55Å; E632-R635 WeakPolarHBondContact O-CA 3.17Å; E632-R635 WeakPolarHBondContact O-CB 3.47Å; E632-R635 PolarHBondContact O-N 3.39Å; E632-S636 PolarHBondContact O-N 3Å; E632-S636 PolarHBondContact O-OG 2.77Å
633N62.7Low60.5Low96 Ų96116 Ų11651%0.51363%0.631SS.*Hα-helixtrans-58.3-33.2170.7-85.847.2000113R629 Q630 S636 V637R629-N633 WeakPolarHBondContact O-CB 3.47Å; R629-N633 PolarHBondContact O-N 2.82Å; R629-N633 PolarHBondContact O-OD1 2.86Å; Q630-N633 PolarHBondContact O-N 3.27Å; N633-S636 PolarHBondContact O-OG 2.79Å; N633-V637 WeakPolarHBondContact O-CG2 3.37Å
634M52.8Low58.6Low134 Ų134110.6 Ų110.666%0.6663%0.63SS**Hα-helixtrans-74.7-25.6173.3-67.6-68.5-69.400112.7Q630 E632 S638Q630-M634 VanDerWaalsContact O-CG 3.27Å; Q630-M634 WeakPolarHBondContact O-CG 3.29Å; Q630-M634 PolarHBondContact O-N 2.92Å; E632-M634 PolarHBondContact O-N 3.23Å; M634-S638 PolarHBondContact O-OG 2.85Å
635R56.3Low55.9Low165 Ų165114.3 Ų114.362%0.62365%0.653SS**Hα-helixtrans-82-41.3177.5-79170.2161.3-168-10.4112.5K631 E632 V637 S638K631-R635 VanDerWaalsContact O-CG 3.31Å; K631-R635 WeakPolarHBondContact O-CG 3.45Å; K631-R635 PolarHBondContact O-N 2.9Å; E632-R635 CarbonylContact O-C 3.55Å; E632-R635 WeakPolarHBondContact O-CA 3.17Å; E632-R635 WeakPolarHBondContact O-CB 3.47Å; E632-R635 PolarHBondContact O-N 3.39Å; R635-V637 VanDerWaalsContact C-N 3.29Å; R635-V637 PolarHBondContact O-N 3.4Å; R635-S638 WeakPolarHBondContact O-CB 2.98Å; R635-S638 PolarHBondContact O-N 3.48Å
636S47.2Very low53.4Low79 Ų79112.8 Ų112.855%0.55266%0.659SS**Hα-helixtrans-65.2-30.9179.357.50000113.2E632 N633 S638E632-S636 PolarHBondContact O-N 3Å; E632-S636 PolarHBondContact O-OG 2.77Å; N633-S636 PolarHBondContact O-OG 2.79Å; S636-S638 PolarHBondContact O-N 2.82Å
637V46.5Very low50.6Low127 Ų127121.2 Ų121.277%0.7768%0.681SS**THydrogen-bonded Turntrans-70-12.9171.9174.90000112.7N633 R635N633-V637 WeakPolarHBondContact O-CG2 3.37Å; R635-V637 VanDerWaalsContact C-N 3.29Å; R635-V637 PolarHBondContact O-N 3.4Å
638S40.2Very low47.9Very low98 Ų98120.4 Ų120.469%0.68569%0.693SS**THydrogen-bonded Turntrans-97.211.2-175.1-570000114.6M634 R635 S636M634-S638 PolarHBondContact O-OG 2.85Å; R635-S638 WeakPolarHBondContact O-CB 2.98Å; R635-S638 PolarHBondContact O-N 3.48Å; S636-S638 PolarHBondContact O-N 2.82Å
639S34.3Very low46Very low84 Ų84122.9 Ų122.959%0.58772%0.715SS**  trans-146.771-171.562.40000116
640S31.7Very low43.4Very low118 Ų118118.2 Ų118.283%0.82572%0.722SS**  trans-166.5148.3143.6-83.60000111.4
641P37.3Very low41.2Very low133 Ų133120.8 Ų120.886%0.86473%0.733SS**  trans-86.3169.9-175.336.1-36.8000113.5
642A30Very low38.6Very low99 Ų99119.6 Ų119.682%0.81874%0.739SS**  trans-120.4136.3-177.500000113.4
643V32.8Very low36.9Very low155 Ų155124.8 Ų124.894%0.93975%0.754SS**  trans-141.4150.8158-1750000105.6
644G31.1Very low35.3Very low64 Ų64129 Ų12966%0.6677%0.767SS**  trans-148.6-178.2-170.200000116.1
645S30.4Very low34.3Very low126 Ų126128.5 Ų128.588%0.88177%0.768SS**  trans68.2132.8178.7-72.50000115.7
646S30Very low33.2Very low99 Ų99127.2 Ų127.269%0.69277%0.773SS**  cis-168.7173.711.455.80000112.7
647R28.4Very low32.3Very low246 Ų246131.8 Ų131.893%0.92878%0.779SS**  trans73.6152.7168.6-57.5179.3175.1-169.9-3.1117.3
648G28.5Very low32Very low72 Ų72134 Ų13474%0.74277%0.774SS**  trans-140.8-155169.100000108.8
649P42.8Very low31.8Very low141 Ų141136 Ų13692%0.91677%0.773SS**  cis-125.3170.7-1.541.2-27.6000114.1
650G26.1Very low32.4Very low79 Ų79137.6 Ų137.681%0.81478%0.783SS**  trans151.8141.2160.400000118.7
651H28.7Very low32.6Very low182 Ų182136.8 Ų136.884%0.84378%0.784SS**  trans-1.3137.9161.6-91-78.4000124.4
652S27Very low32.6Very low90 Ų90136 Ų13663%0.62978%0.782SS**  trans67.2118.1130.5-65.30000123.8
653R30.6Very low32.8Very low234 Ų234135.4 Ų135.488%0.88378%0.777SS**  75.6132.6128.3-70.4-172.4177.3-169.10.1122.7
654F27.7Very low32.9Very low183 Ų183135.5 Ų135.580%0.80377%0.772SS**  trans71.8108.1141.2-117.9-112.6000121.6
655D32.2Very low33.1Very low125 Ų125137.6 Ų137.667%0.66878%0.783SS**  trans60.1153.5131.7-92.7-48.1000126
656D33.1Very low33.1Very low137 Ų137134.6 Ų134.673%0.73377%0.772SS**  trans80.3123.1145.8-105.1-35.6000124.6
657Y29.6Very low33.2Very low175 Ų175140.8 Ų140.869%0.68678%0.782SS**  81.5128.2127.6-137.3-130.6000123.2
658R39.1Very low33.6Very low174 Ų174133 Ų13366%0.65777%0.77SS**  trans100.489.4135.2-149.3159.9-150.1154.113.4123
659E36.3Very low33.7Very low141 Ų141135.3 Ų135.366%0.65977%0.769SS**  57.599.8110.3-158.1172-143.100121.4
660S47.6Very low33.3Very low116 Ų116136.4 Ų136.481%0.81177%0.767SS**  47.4102.5122.5-50.40000122.9
661A36.1Very low33.9Very low101 Ų101141.6 Ų141.684%0.83577%0.77SS**  trans-179160.2144.600000109.1
662S37Very low34.1Very low117 Ų117142 Ų14282%0.81877%0.769SS**  cis-172.5167.7-24.263.40000106.9
663A34.4Very low34.5Very low87 Ų87147.8 Ų147.872%0.71978%0.783SS**  cis-152.1145.7-6.200000110.9
664D34.9Very low34.4Very low157 Ų157140.1 Ų140.184%0.8478%0.777SS**  trans24.8112.9130.6-167.318.2000120.8
665A35.6Very low34.4Very low107 Ų107135.9 Ų135.988%0.88478%0.775SS**  trans-174.6130.5146.800000109.8
666G30.5Very low34.2Very low63 Ų63137.6 Ų137.665%0.64978%0.783SS**  cis-179.1170.1-10.200000112.4
667Y32.2Very low34Very low230 Ų230135.3 Ų135.390%0.90278%0.778SS**  trans64.796.8169.2-99.1-93.7000120.3
668A35.5Very low33.8Very low82 Ų82134.5 Ų134.568%0.67878%0.781SS**  trans-88.7-174.7142.600000110.6
669V31.4Very low33.3Very low120 Ų120135.7 Ų135.773%0.72779%0.785SS**  trans78.4105.9168.3-171.20000117
670L33.4Very low33.2Very low164 Ų164135.9 Ų135.986%0.85980%0.796SS**  -155.9111.5114.6-111.7172.4000111.5
671E39.6Very low32.8Very low188 Ų188134.6 Ų134.688%0.87979%0.785SS**  trans-83.5116.2170.5-64.5-173.1129.800110.6
672K33.1Very low32.5Very low191 Ų191135.8 Ų135.883%0.8379%0.787SS**  trans-156.878.3162.8-141.4167.9-175.2177.70117
673K35Very low32Very low212 Ų212138.9 Ų138.992%0.92279%0.786SS**  trans27.3104.5132.1-171.4-179.6-173.3177.20117.5
674G27.8Very low32Very low73 Ų73141.8 Ų141.875%0.75379%0.788SS**  trans-179.280.5169.800000119.3
675A28.8Very low31.6Very low93 Ų93140.9 Ų140.977%0.76978%0.784SS**  trans61.5138.7148.400000122.7
676L26.7Very low31.2Very low161 Ų161143.2 Ų143.284%0.84378%0.776SS**  trans64.8145.1166.3-44.9-177.9000117
677S28.7Very low31.2Very low89 Ų89147.1 Ų147.162%0.62278%0.781SS**  cis-168.9150.4-25.3-99.60000107.5
678E26.4Very low31.1Very low158 Ų158146.7 Ų146.774%0.73878%0.778SS**  cis-144.3-146.5-7.6-157.241.157.500110.9
679R29.1Very low30.8Very low199 Ų199151 Ų15175%0.75178%0.784SS**  trans-127.4120.2-159.4-163.7-169.3-146.798.32.1114.1P681R679-P681 HydrophobicContact CG-CG 4.46Å
680V33.1Very low30.5Very low145 Ų145151.2 Ų151.288%0.87979%0.791SS**  trans-93.3127.3157.4176.80000109
681P40.3Very low30.3Very low90 Ų90149.6 Ų149.658%0.58479%0.787SS**  trans-135.3147150.435-20.6000113.8R679R679-P681 HydrophobicContact CG-CG 4.46Å
682S29.5Very low29.8Very low125 Ų125148.5 Ų148.587%0.87478%0.782SS**  trans-10.1125.6160.6-46.20000118
683F26.5Very low29.7Very low182 Ų182146.9 Ų146.980%0.79878%0.778SS**  trans-96.5128.1169.1-161-96.5000110.9
684L33.1Very low29.4Very low148 Ų148144.7 Ų144.778%0.77577%0.771SS**  trans-137.5135.8172.3-179.667.4000108.9
685D27.6Very low29.4Very low139 Ų139146.4 Ų146.474%0.74377%0.771SS**  trans46.585.1169.5-86.7-63.5000119.5
686Q27Very low30Very low156 Ų156147.5 Ų147.573%0.72977%0.77SS**  trans-164.6138.3136.5-112.4168.139.500107.7
687I30.1Very low31.5Very low145 Ų145145 Ų14574%0.74476%0.764SS**  cis-150.8153.942.9-104.3147.4000111.3
688R30.1Very low31.5Very low221 Ų221148 Ų14883%0.83477%0.768SS**  trans-82.6154165.7-82.1175.9165.3173.5-6.7110.7
689Q29.9Very low31.8Very low173 Ų173148.1 Ų148.181%0.80877%0.768SS**  trans68.2103.7163.6-62.3159.3-17.600117.2
690S25.4Very low31.9Very low124 Ų124144.1 Ų144.187%0.86777%0.771SS**  -159.6128.3118.90.40000108.8
691T29.5Very low31.7Very low129 Ų129140.3 Ų140.379%0.79176%0.761SS**  trans-129.4150.2177.3-47.50000107.9
692E29Very low31.3Very low166 Ų166144.3 Ų144.378%0.77678%0.776SS**  trans71155.3179.2-35.9-169.6145.700113.9
693Q30.1Very low31.5Very low157 Ų157144.7 Ų144.773%0.73477%0.773SS**  cis-142.4157.121-78-177.5-5.400114.6
694H29.1Very low32.8Very low166 Ų166141.5 Ų141.577%0.76977%0.77SS**  trans62103.6147.9-84.7-109.2000123.6
695S28.4Very low32.6Very low109 Ų109138.3 Ų138.376%0.76277%0.766SS**  55153.9118.9-56.10000125.1
696P41.1Very low32.8Very low116 Ų116142.3 Ų142.375%0.75377%0.772SS**  trans-121-156.4-171.647.1-33.4000112.9
697P57.7Low33.1Very low108 Ų108140.1 Ų140.170%0.70177%0.774SS**  cis-124-173.3-37.332.2-13.5000112.4
698Q29.5Very low33.1Very low153 Ų153137.6 Ų137.672%0.71578%0.775SS**  164.1148.3122.9-90.7-166.58.600115.4
699Q32.3Very low33.3Very low160 Ų160135.5 Ų135.575%0.74877%0.774SS**  trans42.9146.4139.3-60.7-1782600121.2
700S31.6Very low33.5Very low114 Ų114132.8 Ų132.880%0.79778%0.775SS**  cis-172.1170.2-6.253.20000109.4
701G27.2Very low34.2Very low65 Ų65134.7 Ų134.767%0.6778%0.775SS**  trans149.898.4155.500000121
702L33.2Very low34.6Very low174 Ų174133.3 Ų133.391%0.91177%0.771SS**  trans67.7169.7141.1-54.1179.9000121.5
703V32.7Very low35.4Very low133 Ų133134.8 Ų134.881%0.80678%0.778SS**  trans-158.6172.8-162-101.70000108.4
704P53.4Low35.7Very low115 Ų115133.5 Ų133.575%0.74778%0.776SS**  cis-136.4-166.7-2436.9-17.4000113.6
705A29.9Very low36.5Very low82 Ų82132.2 Ų132.268%0.67877%0.77SS**  trans82.3117.6146.400000121.7
706Y32.1Very low37.3Very low222 Ų222129.8 Ų129.887%0.87176%0.762SS**  169.6109.1125.5-108.6-100.1000105.7
707S32.7Very low37.3Very low110 Ų110127.8 Ų127.877%0.76976%0.756SS**  69.987.974.1-64.10000114.1
708A30.1Very low36.5Very low93 Ų93126.2 Ų126.277%0.76974%0.741SS**  trans-158.7143.3149.100000109.1
709E35.5Very low37.3Very low176 Ų176124.2 Ų124.282%0.82273%0.73SS**  trans-70.5148177.155.9-95.151.400113.8
710S33.9Very low38Very low116 Ų116123.2 Ų123.281%0.81173%0.73SS**  trans-159.6108.4149.5-79.60000109
711D38.8Very low38.7Very low165 Ų165124.1 Ų124.188%0.88272%0.722SS**  trans-82.1110174.2-173.622.7000108.5
712S38.8Very low39.8Very low100 Ų100126.2 Ų126.270%0.69971%0.712SS**  trans-154.3121.5179.663.80000111.5D714S712-D714 PolarHBondContact O-N 2.85Å
713E45.3Very low40.7Very low196 Ų196121.7 Ų121.792%0.91669%0.687SS**  trans-80.7103.5-167.4-54.5171.7137.900112.6
714D36Very low41.7Very low130 Ų130117.5 Ų117.570%0.69567%0.67SS**  trans-139.574.7165.5-163.9163.1000112.7S712 G716S712-D714 PolarHBondContact O-N 2.85Å; D714-G716 PolarHBondContact O-N 3.32Å; D714-G716 WeakPolarHBondContact OD2-CA 3.47Å; D714-G716 PolarHBondContact OD2-N 3.02Å
715E45.9Very low42.2Very low140 Ų140120.8 Ų120.865%0.65467%0.667SS**  trans-83.627166.8-103.8-71.6139.500112.3K719E715-K719 PolarHBondContact O-NZ 3.48Å; E715-K719 IonicContact OE2-NZ 2.75Å; E715-K719 PolarHBondContact OE2-NZ 3.03Å
716G45.7Very low44.3Very low57 Ų57118.1 Ų118.159%0.58864%0.642SS**SBendtrans-86.9-44.1-178.200000114.5D714D714-G716 PolarHBondContact O-N 3.32Å; D714-G716 WeakPolarHBondContact OD2-CA 3.47Å; D714-G716 PolarHBondContact OD2-N 3.02Å
717A40.5Very low46.7Very low75 Ų75108 Ų10862%0.6260%0.603SS**SBendtrans-90-33.3-163.800000116.4K719A717-K719 PolarHBondContact O-N 3.49Å
718D41.3Very low49.2Very low75 Ų75104.3 Ų104.340%0.40157%0.574SS.*THydrogen-bonded Turntrans-84.624.5-165.3-167.219000114.8K722D718-K722 VanDerWaalsContact CG-NZ 3.27Å; D718-K722 WeakPolarHBondContact O-CD 3.25Å; D718-K722 WeakPolarHBondContact OD1-CE 3.43Å; D718-K722 IonicContact OD1-NZ 2.59Å; D718-K722 WeakPolarHBondContact OD2-CE 3.34Å; D718-K722 IonicContact OD2-NZ 2.72Å; D718-K722 PolarHBondContact OD2-NZ 3.01Å
719K46.5Very low51.6Low111 Ų111105 Ų10548%0.48356%0.557SS.*THydrogen-bonded Turntrans-93.9-45.2176.1-72.7177.6-179.463.40112.2E715 A717 E721 K722 E723E715-K719 PolarHBondContact O-NZ 3.48Å; E715-K719 IonicContact OE2-NZ 2.75Å; E715-K719 PolarHBondContact OE2-NZ 3.03Å; A717-K719 PolarHBondContact O-N 3.49Å; K719-E721 PolarHBondContact O-N 3.47Å; K719-K722 PolarHBondContact O-N 2.95Å; K719-E723 PolarHBondContact O-N 3.45Å; K719-E723 VanDerWaalsContact O-N 3.14Å
720D45.8Very low53.9Low138 Ų138103.1 Ų103.174%0.73856%0.558SS**Hα-helixtrans-65.1-37.3-178.5-82.1-59.3000113K722 E723 G724D720-K722 VanDerWaalsContact C-N 3.29Å; D720-K722 PolarHBondContact O-N 3.2Å; D720-E723 PolarHBondContact O-N 3.07Å; D720-G724 PolarHBondContact O-N 2.91Å
721E46.7Very low56.2Low134 Ų134103.6 Ų103.663%0.62655%0.545SS*.Hα-helixtrans-66.9-27.7177-70.2-139.7165.300113.7K719 R725K719-E721 PolarHBondContact O-N 3.47Å; E721-R725 IonicContact OE2-NH2 3.78Å
722K51.1Low58.5Low108 Ų10897.9 Ų97.947%0.4751%0.514SS..Hα-helixtrans-83.3-33.2178.4-72175-170.6154.50112.1D718 K719 D720D718-K722 VanDerWaalsContact CG-NZ 3.27Å; D718-K722 WeakPolarHBondContact O-CD 3.25Å; D718-K722 WeakPolarHBondContact OD1-CE 3.43Å; D718-K722 IonicContact OD1-NZ 2.59Å; D718-K722 WeakPolarHBondContact OD2-CE 3.34Å; D718-K722 IonicContact OD2-NZ 2.72Å; D718-K722 PolarHBondContact OD2-NZ 3.01Å; K719-K722 PolarHBondContact O-N 2.95Å; D720-K722 VanDerWaalsContact C-N 3.29Å; D720-K722 PolarHBondContact O-N 3.2Å
723E52.8Low60.9Low80 Ų8093.7 Ų93.737%0.37449%0.486SS..Hα-helixtrans-77.6-38.2173.6-65.6-157.4179.300112.6K719 D720 R725 L726K719-E723 PolarHBondContact O-N 3.45Å; K719-E723 VanDerWaalsContact O-N 3.14Å; D720-E723 PolarHBondContact O-N 3.07Å; E723-R725 PolarHBondContact O-N 3.35Å; E723-L726 WeakPolarHBondContact O-CB 3.36Å; E723-L726 PolarHBondContact O-N 3.02Å
724G53.2Low63Low44 Ų4484.4 Ų84.445%0.45444%0.443SS..Hα-helixtrans-60.2-27.3174.600000113.9D720 L726D720-G724 PolarHBondContact O-N 2.91Å; G724-L726 PolarHBondContact O-N 3.48Å
725R63.1Low65.3Low184 Ų18482.4 Ų82.469%0.69443%0.431SS*.THydrogen-bonded Turntrans-77.60.8175.7-150.1176.3-56.5-125.4-0.4113.9E721 E723E721-R725 IonicContact OE2-NH2 3.78Å; E723-R725 PolarHBondContact O-N 3.35Å
726L74.7Confident67.2Low27 Ų2776.9 Ų76.914%0.14141%0.406CS..THydrogen-bonded Turntrans-116.6-7.8-167.1-151.547.1000113.6E723 G724 L735 L736 R764E723-L726 WeakPolarHBondContact O-CB 3.36Å; E723-L726 PolarHBondContact O-N 3.02Å; G724-L726 PolarHBondContact O-N 3.48Å; L726-L735 HydrophobicContact CD1-CB 4.41Å; L726-L735 WeakPolarHBondContact O-CB 3.39Å; L726-L735 PolarHBondContact O-N 3.22Å; L726-L736 HydrophobicContact CD1-CG 3.9Å; L726-L736 HydrophobicContact CD2-CD1 3.44Å; L726-L736 VanDerWaalsContact CD2-CD1 3.44Å; L726-L736 HydrophobicContact CD2-CD2 4.38Å; L726-L736 HydrophobicContact CD2-CG 3.62Å; L726-L736 HydrophobicContact CG-CB 4.46Å; L726-L736 HydrophobicContact CG-CD1 3.86Å; L726-L736 HydrophobicContact CG-CG 3.66Å; L726-R764 VanDerWaalsContact CD1-NH1 3.33Å
727T81.4Confident69.1Low9 Ų974.9 Ų74.96%0.05538%0.383CS..EExtended strand (participates in β ladder)trans-123.8116.1171.243.50000110W729 A733 L747T727-W729 VanDerWaalsContact O-CD1 3.28Å; T727-W729 PolarHBondContact O-N 2.78Å; T727-W729 VanDerWaalsContact O-N 3.14Å; T727-W729 PolarHBondContact OG1-NE1 3.45Å; T727-A733 CarbonylContact C-O 3.53Å; T727-L747 HydrophobicContact CG2-CD1 4.45Å
728D85.4Confident71.2Confident32 Ų3282.6 Ų82.617%0.17140%0.396CS..EExtended strand (participates in β ladder)trans-80.194.6173.2-175.2-26.1000108.5V730 K731 L732 A733 L735D728-V730 PolarHBondContact O-N 2.97Å; D728-V730 PolarHBondContact OD1-N 3.29Å; D728-K731 HydrophobicContact CB-CB 4.37Å; D728-K731 PolarHBondContact O-N 2.71Å; D728-K731 PolarHBondContact OD1-N 2.95Å; D728-K731 VanDerWaalsContact OD2-CD 3.3Å; D728-K731 WeakPolarHBondContact OD2-CD 3.44Å; D728-K731 WeakPolarHBondContact OD2-CG 3.4Å; D728-K731 IonicContact OD2-NZ 3.92Å; D728-K731 PolarHBondContact OD2-NZ 2.82Å; D728-L732 CarbonylContact O-C 3.56Å; D728-L732 VanDerWaalsContact O-CA 3.26Å; D728-L732 WeakPolarHBondContact O-CA 3.38Å; D728-L732 PolarHBondContact O-N 2.85Å; D728-A733 HydrophobicContact CB-CB 4.39Å; D728-A733 PolarHBondContact N-O 3.45Å; D728-A733 PolarHBondContact O-N 2.57Å; D728-L735 HydrophobicContact CB-CD2 4.26Å; D728-L735 HydrophobicContact CB-CG 4.47Å
729W80.9Confident73.3Confident108 Ų10885.1 Ų85.141%0.40940%0.4SS..THydrogen-bonded Turntrans-67.6-19.2-179.9-63.397.9000113.8T727 K744 L747 I748T727-W729 VanDerWaalsContact O-CD1 3.28Å; T727-W729 PolarHBondContact O-N 2.78Å; T727-W729 VanDerWaalsContact O-N 3.14Å; T727-W729 PolarHBondContact OG1-NE1 3.45Å; W729-K744 HydrophobicContact CE3-CD 4.31Å; W729-K744 HydrophobicContact CE3-CG 4.1Å; W729-K744 HydrophobicContact CZ3-CD 4.2Å; W729-K744 VanDerWaalsContact CZ3-CE 3.46Å; W729-K744 HydrophobicContact CZ3-CG 3.78Å; W729-L747 HydrophobicContact CE3-CD2 4.06Å; W729-L747 HydrophobicContact CZ3-CD2 4.11Å; W729-I748 HydrophobicContact CH2-CD1 4.35Å; W729-I748 HydrophobicContact CH2-CG1 3.97Å; W729-I748 HydrophobicContact CZ3-CD1 4.23Å; W729-I748 HydrophobicContact CZ3-CG1 4.04Å
730V84.5Confident75.3Confident137 Ų13786.8 Ų86.883%0.8341%0.409SS*.THydrogen-bonded Turntrans-80.8-42.3178.2-178.30000110.3D728D728-V730 PolarHBondContact O-N 2.97Å; D728-V730 PolarHBondContact OD1-N 3.29Å
731K82.7Confident77.3Confident125 Ų12582 Ų8254%0.54338%0.382SS..THydrogen-bonded Turntrans-87-4.1174.1-59.2-174-163.167.20113.4D728 A733 Q740D728-K731 HydrophobicContact CB-CB 4.37Å; D728-K731 PolarHBondContact O-N 2.71Å; D728-K731 PolarHBondContact OD1-N 2.95Å; D728-K731 VanDerWaalsContact OD2-CD 3.3Å; D728-K731 WeakPolarHBondContact OD2-CD 3.44Å; D728-K731 WeakPolarHBondContact OD2-CG 3.4Å; D728-K731 IonicContact OD2-NZ 3.92Å; D728-K731 PolarHBondContact OD2-NZ 2.82Å; K731-A733 VanDerWaalsContact C-N 3.3Å; K731-A733 HydrophobicContact CB-CB 4.24Å; K731-A733 PolarHBondContact O-N 2.99Å; K731-Q740 WeakPolarHBondContact O-CG 3.03Å; K731-Q740 PolarHBondContact O-NE2 3.29Å
732L87.1Confident79.1Confident45 Ų4581.1 Ų81.124%0.23639%0.388CS..THydrogen-bonded Turntrans52.244.5-170.9-60.5174.9000112.6D728 F741 K744D728-L732 CarbonylContact O-C 3.56Å; D728-L732 VanDerWaalsContact O-CA 3.26Å; D728-L732 WeakPolarHBondContact O-CA 3.38Å; D728-L732 PolarHBondContact O-N 2.85Å; L732-F741 VanDerWaalsContact CB-O 3.32Å; L732-F741 WeakPolarHBondContact CB-O 3.45Å; L732-F741 PolarHBondContact O-N 3.32Å; L732-K744 HydrophobicContact CD2-CB 4.16Å
733A87.3Confident81Confident13 Ų1377.4 Ų77.411%0.10738%0.376CS..EExtended strand (participates in β ladder)trans-121.2138.4-172.400000113.6T727 D728 K731 R739 Q740T727-A733 CarbonylContact C-O 3.53Å; D728-A733 HydrophobicContact CB-CB 4.39Å; D728-A733 PolarHBondContact N-O 3.45Å; D728-A733 PolarHBondContact O-N 2.57Å; K731-A733 VanDerWaalsContact C-N 3.3Å; K731-A733 HydrophobicContact CB-CB 4.24Å; K731-A733 PolarHBondContact O-N 2.99Å; A733-R739 CarbonylContact C-O 3.53Å; A733-R739 VanDerWaalsContact CA-O 3.26Å; A733-R739 WeakPolarHBondContact CA-O 3.36Å; A733-Q740 HydrophobicContact CB-CB 4.29Å
734C90.4Very high82.7Confident1 Ų179.3 Ų79.31%0.00738%0.383CS..EExtended strand (participates in β ladder)trans-88.5116.6171.4179.70000109.6C737 R738 R739 F741 L747 H757C734-C737 HydrophobicContact CB-CB 4.22Å; C734-C737 PolarHBondContact O-N 3.19Å; C734-R738 WeakPolarHBondContact O-CA 3.3Å; C734-R738 PolarHBondContact O-N 2.66Å; C734-R739 PolarHBondContact N-O 3.11Å; C734-R739 PolarHBondContact O-N 2.58Å; C734-F741 HydrophobicContact CB-CE2 4.22Å; C734-L747 HydrophobicContact CB-CD1 3.85Å; C734-H757 PolarHBondContact SG-CE1 3.47Å; C734-H757 PolarHBondContact SG-ND1 3.42Å
735L84.9Confident84.4Confident87 Ų8783 Ų8346%0.45539%0.389SS..THydrogen-bonded Turntrans-77.8-29.9-175.5-56.9178.9000112.2L726 D728 C737 R738L726-L735 HydrophobicContact CD1-CB 4.41Å; L726-L735 WeakPolarHBondContact O-CB 3.39Å; L726-L735 PolarHBondContact O-N 3.22Å; D728-L735 HydrophobicContact CB-CD2 4.26Å; D728-L735 HydrophobicContact CB-CG 4.47Å; L735-C737 VanDerWaalsContact C-N 3.29Å; L735-C737 PolarHBondContact O-N 2.86Å; L735-R738 PolarHBondContact O-N 2.89Å
736L85.5Confident85.6Confident24 Ų2475 Ų7513%0.12636%0.361CS..THydrogen-bonded Turntrans-57.5-39.8168.9-95.2169.4000112.9L726 N760 L761 R764L726-L736 HydrophobicContact CD1-CG 3.9Å; L726-L736 HydrophobicContact CD2-CD1 3.44Å; L726-L736 VanDerWaalsContact CD2-CD1 3.44Å; L726-L736 HydrophobicContact CD2-CD2 4.38Å; L726-L736 HydrophobicContact CD2-CG 3.62Å; L726-L736 HydrophobicContact CG-CB 4.46Å; L726-L736 HydrophobicContact CG-CD1 3.86Å; L726-L736 HydrophobicContact CG-CG 3.66Å; L736-N760 HydrophobicContact CD2-CB 3.94Å; L736-N760 WeakPolarHBondContact CD2-O 3.37Å; L736-N760 PolarHBondContact O-ND2 3.44Å; L736-L761 HydrophobicContact CD1-CB 3.8Å; L736-L761 HydrophobicContact CD1-CD1 4.03Å; L736-L761 HydrophobicContact CD1-CG 3.92Å; L736-R764 HydrophobicContact CD2-CB 4.4Å
737C84.4Confident86.4Confident15 Ų1573.7 Ų73.710%0.10136%0.355CS..THydrogen-bonded Turntrans-100.4-7.8-175.1-67.80000113.5C734 L735 R739 H750 H757C734-C737 HydrophobicContact CB-CB 4.22Å; C734-C737 PolarHBondContact O-N 3.19Å; L735-C737 VanDerWaalsContact C-N 3.29Å; L735-C737 PolarHBondContact O-N 2.86Å; C737-R739 HydrophobicContact CB-CB 4.35Å; C737-R739 HydrophobicContact CB-CG 4.33Å; C737-R739 WeakPolarHBondContact O-CG 3.48Å; C737-R739 PolarHBondContact O-N 2.86Å; C737-H750 VanDerWaalsContact CB-NE2 3.35Å; C737-H750 WeakPolarHBondContact CB-NE2 3.38Å; C737-H750 PolarHBondContact SG-NE2 3.3Å; C737-H757 WeakPolarHBondContact SG-CA 3.19Å
738R85.6Confident86.7Confident238 Ų23875.8 Ų75.890%0.89837%0.365SS*.THydrogen-bonded Turntrans4941.8-171.2-59.2-178.1178.4177.2-0.3112.8C734 L735C734-R738 WeakPolarHBondContact O-CA 3.3Å; C734-R738 PolarHBondContact O-N 2.66Å; L735-R738 PolarHBondContact O-N 2.89Å
739R84.8Confident86.9Confident128 Ų12880.9 Ų80.948%0.48338%0.382SS..EExtended strand (participates in β ladder)trans-121.9132.7-177.1-74.8172.6-169.9-146.9-1.4111.4A733 C734 C737 F741 L756A733-R739 CarbonylContact C-O 3.53Å; A733-R739 VanDerWaalsContact CA-O 3.26Å; A733-R739 WeakPolarHBondContact CA-O 3.36Å; C734-R739 PolarHBondContact N-O 3.11Å; C734-R739 PolarHBondContact O-N 2.58Å; C737-R739 HydrophobicContact CB-CB 4.35Å; C737-R739 HydrophobicContact CB-CG 4.33Å; C737-R739 WeakPolarHBondContact O-CG 3.48Å; C737-R739 PolarHBondContact O-N 2.86Å; R739-F741 HydrophobicContact CB-CE2 3.57Å; R739-F741 HydrophobicContact CB-CZ 3.74Å; R739-F741 WeakPolarHBondContact O-CD2 3.15Å; R739-F741 VanDerWaalsContact O-CE2 3.31Å; R739-F741 WeakPolarHBondContact O-CE2 3.43Å; R739-L756 VanDerWaalsContact NH2-CD2 3.32Å
740Q88.3Confident87.3Confident145 Ų14576.4 Ų76.468%0.67837%0.365SS*.EExtended strand (participates in β ladder)trans-95.2145.4172.3-175.4167.740.600110.7K731 A733K731-Q740 WeakPolarHBondContact O-CG 3.03Å; K731-Q740 PolarHBondContact O-NE2 3.29Å; A733-Q740 HydrophobicContact CB-CB 4.29Å
741F88.9Confident87.5Confident37 Ų3772.6 Ų72.616%0.16234%0.338CS..  trans-125.4144.7-176.1-66.9-87.7000112.1L732 C734 R739 S743 A746 L747 H750L732-F741 VanDerWaalsContact CB-O 3.32Å; L732-F741 WeakPolarHBondContact CB-O 3.45Å; L732-F741 PolarHBondContact O-N 3.32Å; C734-F741 HydrophobicContact CB-CE2 4.22Å; R739-F741 HydrophobicContact CB-CE2 3.57Å; R739-F741 HydrophobicContact CB-CZ 3.74Å; R739-F741 WeakPolarHBondContact O-CD2 3.15Å; R739-F741 VanDerWaalsContact O-CE2 3.31Å; R739-F741 WeakPolarHBondContact O-CE2 3.43Å; F741-S743 VanDerWaalsContact C-N 3.26Å; F741-S743 PolarHBondContact O-N 3.39Å; F741-A746 HydrophobicContact CB-CB 4.12Å; F741-A746 HydrophobicContact CD1-CB 4.28Å; F741-L747 HydrophobicContact CB-CB 4.14Å; F741-L747 HydrophobicContact CD2-CB 4.34Å; F741-L747 HydrophobicContact CD2-CD1 3.67Å; F741-L747 HydrophobicContact CE2-CD1 4.15Å; F741-L747 HydrophobicContact CG-CB 4.35Å; F741-L747 HydrophobicContact CG-CD1 4.49Å; F741-H750 HydrophobicContact CD1-CB 4.31Å; F741-H750 HydrophobicContact CE1-CB 3.64Å; F741-H750 AromaticContact CE1-CG 3.75Å; F741-H750 HydrophobicContact CE2-CB 4.12Å; F741-H750 AromaticContact CE2-CD2 3.27Å; F741-H750 WeakPolarHBondContact CE2-CD2 3.34Å; F741-H750 AromaticContact CE2-CG 3.74Å; F741-H750 AromaticContact CE2-NE2 3.85Å; F741-H750 HydrophobicContact CZ-CB 3.55Å; F741-H750 AromaticContact CZ-CD2 3.16Å; F741-H750 WeakPolarHBondContact CZ-CD2 3.35Å; F741-H750 AromaticContact CZ-CE1 3.94Å; F741-H750 AromaticContact CZ-CG 3.16Å; F741-H750 AromaticContact CZ-ND1 3.67Å; F741-H750 AromaticContact CZ-NE2 3.65Å
742P85.3Confident87.6Confident116 Ų11673.2 Ų73.275%0.75334%0.343SS*.SBendtrans-80.61.3-174.433.7-37.9000114.5
743S89.6Confident87.4Confident31 Ų3177.4 Ų77.422%0.21737%0.365CS..SBendtrans-160.3160.9173.583.30000112.1F741 E745 A746 L747F741-S743 VanDerWaalsContact C-N 3.26Å; F741-S743 PolarHBondContact O-N 3.39Å; S743-E745 VanDerWaalsContact C-N 3.35Å; S743-E745 WeakPolarHBondContact CB-OE2 3.46Å; S743-E745 PolarHBondContact O-N 3.39Å; S743-E745 PolarHBondContact OG-OE2 2.86Å; S743-A746 WeakPolarHBondContact O-CB 3.32Å; S743-A746 PolarHBondContact O-N 2.84Å; S743-A746 WeakPolarHBondContact OG-CB 3.36Å; S743-A746 PolarHBondContact OG-N 2.93Å; S743-A746 VanDerWaalsContact OG-N 3.15Å; S743-L747 PolarHBondContact O-N 2.62Å; S743-L747 VanDerWaalsContact O-N 3.09Å
744K88.5Confident87.5Confident120 Ų12078.2 Ų78.252%0.52237%0.37SS..Hα-helixtrans-63.3-38.4178.4-168.7175.4177.9176.30112W729 L732 A746 L747 I748W729-K744 HydrophobicContact CE3-CD 4.31Å; W729-K744 HydrophobicContact CE3-CG 4.1Å; W729-K744 HydrophobicContact CZ3-CD 4.2Å; W729-K744 VanDerWaalsContact CZ3-CE 3.46Å; W729-K744 HydrophobicContact CZ3-CG 3.78Å; L732-K744 HydrophobicContact CD2-CB 4.16Å; K744-A746 VanDerWaalsContact C-N 3.31Å; K744-A746 PolarHBondContact O-N 3.22Å; K744-L747 PolarHBondContact O-N 2.58Å; K744-I748 HydrophobicContact CG-CD1 3.98Å; K744-I748 VanDerWaalsContact O-CG1 3.28Å; K744-I748 WeakPolarHBondContact O-CG1 3.16Å; K744-I748 PolarHBondContact O-N 3.42Å
745E88.4Confident87.4Confident122 Ų12283.5 Ų83.557%0.5740%0.395SS*.Hα-helixtrans-74.1-21.2176.8-33.280.9171.900112.4S743 R749S743-E745 VanDerWaalsContact C-N 3.35Å; S743-E745 WeakPolarHBondContact CB-OE2 3.46Å; S743-E745 PolarHBondContact O-N 3.39Å; S743-E745 PolarHBondContact OG-OE2 2.86Å; E745-R749 WeakPolarHBondContact O-CB 3.38Å; E745-R749 VanDerWaalsContact O-CG 3.27Å; E745-R749 WeakPolarHBondContact O-CG 3.31Å; E745-R749 PolarHBondContact O-N 3.45Å; E745-R749 VanDerWaalsContact O-N 3.16Å; E745-R749 PolarHBondContact O-NE 3.24Å
746A88.6Confident87.4Confident15 Ų1582.2 Ų82.212%0.12439%0.388CS..Hα-helixtrans-74.3-42.1170.400000111.5F741 S743 K744 H750F741-A746 HydrophobicContact CB-CB 4.12Å; F741-A746 HydrophobicContact CD1-CB 4.28Å; S743-A746 WeakPolarHBondContact O-CB 3.32Å; S743-A746 PolarHBondContact O-N 2.84Å; S743-A746 WeakPolarHBondContact OG-CB 3.36Å; S743-A746 PolarHBondContact OG-N 2.93Å; S743-A746 VanDerWaalsContact OG-N 3.15Å; K744-A746 VanDerWaalsContact C-N 3.31Å; K744-A746 PolarHBondContact O-N 3.22Å; A746-H750 WeakPolarHBondContact O-CB 3.27Å; A746-H750 PolarHBondContact O-N 3.23Å
747L91.1Very high87.4Confident0 Ų081.4 Ų81.40%038%0.384CS..Hα-helixtrans-61.7-48.1172.8178.564.1000111.7T727 W729 C734 F741 S743 K744 R749 H750 Q751T727-L747 HydrophobicContact CG2-CD1 4.45Å; W729-L747 HydrophobicContact CE3-CD2 4.06Å; W729-L747 HydrophobicContact CZ3-CD2 4.11Å; C734-L747 HydrophobicContact CB-CD1 3.85Å; F741-L747 HydrophobicContact CB-CB 4.14Å; F741-L747 HydrophobicContact CD2-CB 4.34Å; F741-L747 HydrophobicContact CD2-CD1 3.67Å; F741-L747 HydrophobicContact CE2-CD1 4.15Å; F741-L747 HydrophobicContact CG-CB 4.35Å; F741-L747 HydrophobicContact CG-CD1 4.49Å; S743-L747 PolarHBondContact O-N 2.62Å; S743-L747 VanDerWaalsContact O-N 3.09Å; K744-L747 PolarHBondContact O-N 2.58Å; L747-R749 PolarHBondContact O-N 3.48Å; L747-H750 WeakPolarHBondContact O-CB 3.34Å; L747-H750 PolarHBondContact O-N 3.25Å; L747-H750 VanDerWaalsContact O-N 3.16Å; L747-Q751 PolarHBondContact O-N 3.08Å
748I88.9Confident87.6Confident53 Ų5385.9 Ų85.927%0.27240%0.401SS..Hα-helixtrans-62-45.2179.5-69165.3000111.3W729 K744 H750 Q751 Q752W729-I748 HydrophobicContact CH2-CD1 4.35Å; W729-I748 HydrophobicContact CH2-CG1 3.97Å; W729-I748 HydrophobicContact CZ3-CD1 4.23Å; W729-I748 HydrophobicContact CZ3-CG1 4.04Å; K744-I748 HydrophobicContact CG-CD1 3.98Å; K744-I748 VanDerWaalsContact O-CG1 3.28Å; K744-I748 WeakPolarHBondContact O-CG1 3.16Å; K744-I748 PolarHBondContact O-N 3.42Å; I748-H750 VanDerWaalsContact C-N 3.3Å; I748-H750 PolarHBondContact O-N 3.43Å; I748-Q751 PolarHBondContact O-N 3.25Å; I748-Q752 HydrophobicContact CG2-CG 4.45Å; I748-Q752 WeakPolarHBondContact O-CB 3.47Å; I748-Q752 WeakPolarHBondContact O-CG 3.48Å; I748-Q752 PolarHBondContact O-N 2.78Å
749R88.9Confident87.6Confident138 Ų13879.7 Ų79.752%0.52138%0.382SS..Hα-helixtrans-64.2-33.3175.2-76.3178.4-64.1141.3-1112.7E745 L747 Q752 L753E745-R749 WeakPolarHBondContact O-CB 3.38Å; E745-R749 VanDerWaalsContact O-CG 3.27Å; E745-R749 WeakPolarHBondContact O-CG 3.31Å; E745-R749 PolarHBondContact O-N 3.45Å; E745-R749 VanDerWaalsContact O-N 3.16Å; E745-R749 PolarHBondContact O-NE 3.24Å; L747-R749 PolarHBondContact O-N 3.48Å; R749-Q752 PolarHBondContact O-N 2.82Å; R749-L753 HydrophobicContact CB-CD1 4.38Å; R749-L753 HydrophobicContact CG-CD1 4.48Å; R749-L753 VanDerWaalsContact O-CB 3.24Å; R749-L753 WeakPolarHBondContact O-CB 3.23Å; R749-L753 PolarHBondContact O-N 3.49Å
750H90.4Very high87.7Confident15 Ų1575.6 Ų75.67%0.06937%0.37CS..Hα-helixtrans-66.3-43.9173.5169.662.8000111.9C737 F741 A746 L747 I748 Q752 S754C737-H750 VanDerWaalsContact CB-NE2 3.35Å; C737-H750 WeakPolarHBondContact CB-NE2 3.38Å; C737-H750 PolarHBondContact SG-NE2 3.3Å; F741-H750 HydrophobicContact CD1-CB 4.31Å; F741-H750 HydrophobicContact CE1-CB 3.64Å; F741-H750 AromaticContact CE1-CG 3.75Å; F741-H750 HydrophobicContact CE2-CB 4.12Å; F741-H750 AromaticContact CE2-CD2 3.27Å; F741-H750 WeakPolarHBondContact CE2-CD2 3.34Å; F741-H750 AromaticContact CE2-CG 3.74Å; F741-H750 AromaticContact CE2-NE2 3.85Å; F741-H750 HydrophobicContact CZ-CB 3.55Å; F741-H750 AromaticContact CZ-CD2 3.16Å; F741-H750 WeakPolarHBondContact CZ-CD2 3.35Å; F741-H750 AromaticContact CZ-CE1 3.94Å; F741-H750 AromaticContact CZ-CG 3.16Å; F741-H750 AromaticContact CZ-ND1 3.67Å; F741-H750 AromaticContact CZ-NE2 3.65Å; A746-H750 WeakPolarHBondContact O-CB 3.27Å; A746-H750 PolarHBondContact O-N 3.23Å; L747-H750 WeakPolarHBondContact O-CB 3.34Å; L747-H750 PolarHBondContact O-N 3.25Å; L747-H750 VanDerWaalsContact O-N 3.16Å; I748-H750 VanDerWaalsContact C-N 3.3Å; I748-H750 PolarHBondContact O-N 3.43Å; H750-Q752 VanDerWaalsContact C-N 3.31Å; H750-Q752 PolarHBondContact O-N 2.83Å; H750-S754 PolarHBondContact CE1-OG 2.89Å; H750-S754 WeakPolarHBondContact ND1-CB 3.43Å; H750-S754 PolarHBondContact ND1-OG 3.08Å; H750-S754 WeakPolarHBondContact O-CB 3.28Å; H750-S754 PolarHBondContact O-N 2.85Å; H750-S754 VanDerWaalsContact O-N 3.12Å
751Q88.6Confident87.6Confident56 Ų5670.3 Ų70.326%0.26235%0.346SS..Hα-helixtrans-60.4-39.9174.8-178.2166.316.500112L747 I748 H757L747-Q751 PolarHBondContact O-N 3.08Å; I748-Q751 PolarHBondContact O-N 3.25Å; Q751-H757 PolarHBondContact O-CD2 2.77Å; Q751-H757 VanDerWaalsContact O-CD2 3.31Å
752Q85Confident87.4Confident139 Ų13974 Ų7465%0.6536%0.364SS*.Hα-helixtrans-83.1-29.3-176.8-70.1174.1-1400115.3I748 R749 H750I748-Q752 HydrophobicContact CG2-CG 4.45Å; I748-Q752 WeakPolarHBondContact O-CB 3.47Å; I748-Q752 WeakPolarHBondContact O-CG 3.48Å; I748-Q752 PolarHBondContact O-N 2.78Å; R749-Q752 PolarHBondContact O-N 2.82Å; H750-Q752 VanDerWaalsContact C-N 3.31Å; H750-Q752 PolarHBondContact O-N 2.83Å
753L81.2Confident87.4Confident133 Ų13373.7 Ų73.770%0.69635%0.353SS*.Hα-helixtrans-126.21.9-165.8-54.8173.6000114.7R749R749-L753 HydrophobicContact CB-CD1 4.38Å; R749-L753 HydrophobicContact CG-CD1 4.48Å; R749-L753 VanDerWaalsContact O-CB 3.24Å; R749-L753 WeakPolarHBondContact O-CB 3.23Å; R749-L753 PolarHBondContact O-N 3.49Å
754S90.8Very high86.9Confident30 Ų3077.7 Ų77.721%0.2136%0.363CS..  trans-98.5111.7-178.3-160.60000111.6H750 L756 H757 K758H750-S754 PolarHBondContact CE1-OG 2.89Å; H750-S754 WeakPolarHBondContact ND1-CB 3.43Å; H750-S754 PolarHBondContact ND1-OG 3.08Å; H750-S754 WeakPolarHBondContact O-CB 3.28Å; H750-S754 PolarHBondContact O-N 2.85Å; H750-S754 VanDerWaalsContact O-N 3.12Å; S754-L756 PolarHBondContact O-N 2.72Å; S754-H757 WeakPolarHBondContact O-CA 3.33Å; S754-H757 VanDerWaalsContact O-CB 3.31Å; S754-H757 WeakPolarHBondContact O-CB 3.34Å; S754-H757 PolarHBondContact O-N 3.37Å; S754-K758 PolarHBondContact O-N 3.18Å; S754-K758 VanDerWaalsContact O-N 3.09Å
755E87.3Confident86.6Confident111 Ų11178 Ų7852%0.51936%0.364SS..Hα-helixtrans-56.6-32.1175.8-67.8-59.1135.900112.6H757 K758 Q759E755-H757 VanDerWaalsContact C-N 3.33Å; E755-H757 PolarHBondContact O-N 3.21Å; E755-K758 PolarHBondContact O-N 2.94Å; E755-K758 IonicContact OE1-NZ 3.39Å; E755-K758 IonicContact OE2-NZ 3.72Å; E755-K758 PolarHBondContact OE2-NZ 3.27Å; E755-Q759 WeakPolarHBondContact O-CB 3.42Å; E755-Q759 VanDerWaalsContact O-CG 3.25Å; E755-Q759 WeakPolarHBondContact O-CG 3.47Å; E755-Q759 PolarHBondContact O-N 2.96Å
756L85.3Confident86.1Confident61 Ų6176.3 Ų76.332%0.31937%0.371SS..Hα-helixtrans-63.9-36.8172.7-17767.3000112.6R739 S754 N760R739-L756 VanDerWaalsContact NH2-CD2 3.32Å; S754-L756 PolarHBondContact O-N 2.72Å; L756-N760 WeakPolarHBondContact O-CB 3.34Å; L756-N760 VanDerWaalsContact O-CG 3.26Å; L756-N760 PolarHBondContact O-N 2.84Å; L756-N760 PolarHBondContact O-OD1 3.37Å
757H85.6Confident85.2Confident7 Ų782.9 Ų82.93%0.03240%0.399CS..Hα-helixtrans-66.3-48.4175.3-17880.1000110.6C734 C737 Q751 S754 E755 N760 L761C734-H757 PolarHBondContact SG-CE1 3.47Å; C734-H757 PolarHBondContact SG-ND1 3.42Å; C737-H757 WeakPolarHBondContact SG-CA 3.19Å; Q751-H757 PolarHBondContact O-CD2 2.77Å; Q751-H757 VanDerWaalsContact O-CD2 3.31Å; S754-H757 WeakPolarHBondContact O-CA 3.33Å; S754-H757 VanDerWaalsContact O-CB 3.31Å; S754-H757 WeakPolarHBondContact O-CB 3.34Å; S754-H757 PolarHBondContact O-N 3.37Å; E755-H757 VanDerWaalsContact C-N 3.33Å; E755-H757 PolarHBondContact O-N 3.21Å; H757-N760 PolarHBondContact O-N 3.31Å; H757-L761 VanDerWaalsContact O-CB 3.27Å; H757-L761 WeakPolarHBondContact O-CB 3.36Å; H757-L761 PolarHBondContact O-N 3.35Å
758K88Confident83.7Confident109 Ų10991.7 Ų91.747%0.47445%0.445SS..Hα-helixtrans-58.2-48.1176.7-175-178.2166.8-160.10111.9S754 E755 L761 E762S754-K758 PolarHBondContact O-N 3.18Å; S754-K758 VanDerWaalsContact O-N 3.09Å; E755-K758 PolarHBondContact O-N 2.94Å; E755-K758 IonicContact OE1-NZ 3.39Å; E755-K758 IonicContact OE2-NZ 3.72Å; E755-K758 PolarHBondContact OE2-NZ 3.27Å; K758-L761 WeakPolarHBondContact O-CB 3Å; K758-L761 PolarHBondContact O-N 3.44Å; K758-E762 WeakPolarHBondContact O-CB 3.46Å; K758-E762 PolarHBondContact O-N 2.98Å
759Q85.4Confident83.4Confident107 Ų10793.6 Ų93.650%0.545%0.454SS..Hα-helixtrans-61.8-44.8177.3-74.7174-3.200112.7E755 L761 E762 Q763E755-Q759 WeakPolarHBondContact O-CB 3.42Å; E755-Q759 VanDerWaalsContact O-CG 3.25Å; E755-Q759 WeakPolarHBondContact O-CG 3.47Å; E755-Q759 PolarHBondContact O-N 2.96Å; Q759-L761 VanDerWaalsContact C-N 3.27Å; Q759-L761 PolarHBondContact O-N 3.23Å; Q759-E762 PolarHBondContact O-N 3.17Å; Q759-Q763 WeakPolarHBondContact O-CB 3.28Å; Q759-Q763 VanDerWaalsContact O-CG 3.31Å; Q759-Q763 WeakPolarHBondContact O-CG 3.44Å; Q759-Q763 PolarHBondContact O-N 2.83Å
760N86.8Confident83.1Confident42 Ų4291.3 Ų91.323%0.22545%0.451CS..Hα-helixtrans-66.1-32.2176.7-71.414.9000111.8L736 L756 H757 R764L736-N760 HydrophobicContact CD2-CB 3.94Å; L736-N760 WeakPolarHBondContact CD2-O 3.37Å; L736-N760 PolarHBondContact O-ND2 3.44Å; L756-N760 WeakPolarHBondContact O-CB 3.34Å; L756-N760 VanDerWaalsContact O-CG 3.26Å; L756-N760 PolarHBondContact O-N 2.84Å; L756-N760 PolarHBondContact O-OD1 3.37Å; H757-N760 PolarHBondContact O-N 3.31Å; N760-R764 WeakPolarHBondContact O-CB 3.42Å; N760-R764 PolarHBondContact O-N 3.33Å
761L86.9Confident82.7Confident34 Ų3495.5 Ų95.518%0.17847%0.472CS..Hα-helixtrans-70.9-43.7176-161.4161.1000110.8L736 H757 K758 Q759 R764 K765L736-L761 HydrophobicContact CD1-CB 3.8Å; L736-L761 HydrophobicContact CD1-CD1 4.03Å; L736-L761 HydrophobicContact CD1-CG 3.92Å; H757-L761 VanDerWaalsContact O-CB 3.27Å; H757-L761 WeakPolarHBondContact O-CB 3.36Å; H757-L761 PolarHBondContact O-N 3.35Å; K758-L761 WeakPolarHBondContact O-CB 3Å; K758-L761 PolarHBondContact O-N 3.44Å; Q759-L761 VanDerWaalsContact C-N 3.27Å; Q759-L761 PolarHBondContact O-N 3.23Å; L761-R764 PolarHBondContact O-N 3.45Å; L761-K765 HydrophobicContact CD2-CD 3.7Å; L761-K765 HydrophobicContact CD2-CG 4.21Å; L761-K765 WeakPolarHBondContact O-CG 3.43Å; L761-K765 PolarHBondContact O-N 2.76Å
762E85.4Confident82.4Confident114 Ų11497.8 Ų97.853%0.53348%0.484SS..Hα-helixtrans-58.5-49.9172.6-148.984.5-105.900111.2K758 Q759 R764 K765 A766K758-E762 WeakPolarHBondContact O-CB 3.46Å; K758-E762 PolarHBondContact O-N 2.98Å; Q759-E762 PolarHBondContact O-N 3.17Å; E762-R764 VanDerWaalsContact C-N 3.29Å; E762-R764 PolarHBondContact O-N 3.39Å; E762-K765 WeakPolarHBondContact O-CB 3.44Å; E762-K765 PolarHBondContact O-N 2.77Å; E762-K765 VanDerWaalsContact O-N 3.14Å; E762-A766 PolarHBondContact O-N 2.99Å
763Q84.1Confident82.2Confident110 Ų11095.3 Ų95.351%0.51447%0.474SS..Hα-helixtrans-60.7-37.1177.2-74.7176.51100112.4Q759 A766 Q767Q759-Q763 WeakPolarHBondContact O-CB 3.28Å; Q759-Q763 VanDerWaalsContact O-CG 3.31Å; Q759-Q763 WeakPolarHBondContact O-CG 3.44Å; Q759-Q763 PolarHBondContact O-N 2.83Å; Q763-A766 PolarHBondContact O-N 3.05Å; Q763-Q767 VanDerWaalsContact O-CG 3.27Å; Q763-Q767 WeakPolarHBondContact O-CG 3.41Å; Q763-Q767 PolarHBondContact O-N 3.07Å; Q763-Q767 PolarHBondContact O-NE2 2.79Å
764R79.4Confident82.3Confident116 Ų11692.7 Ų92.744%0.43846%0.459SS..Hα-helixtrans-73.3-32.6176.4-166.3176.4-174.5-140.6-1.7112.4L726 L736 N760 L761 E762 A766 Q767L726-R764 VanDerWaalsContact CD1-NH1 3.33Å; L736-R764 HydrophobicContact CD2-CB 4.4Å; N760-R764 WeakPolarHBondContact O-CB 3.42Å; N760-R764 PolarHBondContact O-N 3.33Å; L761-R764 PolarHBondContact O-N 3.45Å; E762-R764 VanDerWaalsContact C-N 3.29Å; E762-R764 PolarHBondContact O-N 3.39Å; R764-A766 VanDerWaalsContact C-N 3.26Å; R764-Q767 PolarHBondContact O-N 3.1Å
765K81.8Confident81.6Confident126 Ų12697.2 Ų97.255%0.54848%0.477SS..Hα-helixtrans-68.6-23.6170.4-78.4177.8173.6169.30113L761 E762L761-K765 HydrophobicContact CD2-CD 3.7Å; L761-K765 HydrophobicContact CD2-CG 4.21Å; L761-K765 WeakPolarHBondContact O-CG 3.43Å; L761-K765 PolarHBondContact O-N 2.76Å; E762-K765 WeakPolarHBondContact O-CB 3.44Å; E762-K765 PolarHBondContact O-N 2.77Å; E762-K765 VanDerWaalsContact O-N 3.14Å
766A78.9Confident81.2Confident86 Ų8696.2 Ų96.271%0.71147%0.473SS*.THydrogen-bonded Turntrans-91.56.8172.900000114E762 Q763 R764E762-A766 PolarHBondContact O-N 2.99Å; Q763-A766 PolarHBondContact O-N 3.05Å; R764-A766 VanDerWaalsContact C-N 3.26Å
767Q70.6Confident80.9Confident153 Ų15399.1 Ų99.172%0.71549%0.486SS*.  trans-121.39.9176.2-71.7170.726.200112.2Q763 R764Q763-Q767 VanDerWaalsContact O-CG 3.27Å; Q763-Q767 WeakPolarHBondContact O-CG 3.41Å; Q763-Q767 PolarHBondContact O-N 3.07Å; Q763-Q767 PolarHBondContact O-NE2 2.79Å; R764-Q767 PolarHBondContact O-N 3.1Å
768L57.9Low80.5Confident185 Ų185107.5 Ų107.597%0.96953%0.528SS*.  trans-120.40174-72.1170.8000108.2

Retrieved 768 of 768 residues in 488.3 ms (Link to these results)