A0A087YSF7_POEFO Loading...

DEAD (Asp-Glu-Ala-Asp) box polypeptide 28

AlphaFold DB , UniProt , Accession A0A087YSF7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 561 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.7Very low32.2Very low242 Ų242153.4 Ų153.4100%1.19286%0.857SS**  0132.70-80172.6163.500106.9
2Q30.8Very low32.3Very low194 Ų194147.8 Ų147.891%0.90785%0.845SS**  trans-139.1129.2170.8-85.7-177.2-1700108.1
3T29.2Very low32.2Very low150 Ų150142.5 Ų142.592%0.9283%0.83SS**  trans-91.3129.617931.40000110.3
4L33.8Very low32Very low163 Ų163143.5 Ų143.585%0.85383%0.829SS**  trans-122.5126.6175.7-90.6156.5000109.8
5K30.7Very low32.1Very low213 Ų213146.4 Ų146.493%0.92683%0.828SS**  trans-74.1131.9178-80.5179.3173.5179.10111.2A7K5-A7 PolarHBondContact O-N 3.42Å
6V37.3Very low32Very low137 Ų137143.4 Ų143.483%0.8382%0.819SS**  trans-91.192.6176.8-178.10000109.4
7A31.8Very low32.1Very low89 Ų89145 Ų14574%0.73682%0.824SS**  trans-148.364.116900000109.6K5K5-A7 PolarHBondContact O-N 3.42Å
8Q33.3Very low31.7Very low186 Ų186140.6 Ų140.687%0.86982%0.815SS**SBendtrans-161.85.3170.7-114.8169.919.200116.6
9V33.4Very low31.6Very low124 Ų124140.1 Ų140.175%0.75282%0.821SS**SBendtrans-96.6-15.6-175-176.90000113.7S11V9-S11 PolarHBondContact O-N 3.33Å
10A30.6Very low31.4Very low94 Ų94136.7 Ų136.778%0.77782%0.817SS**THydrogen-bonded Turntrans-82.2-5.9-175.300000115.8
11S31Very low31.2Very low95 Ų95142.1 Ų142.166%0.66482%0.823SS**THydrogen-bonded Turntrans-92.4-12.5-175.5-166.70000114.4V9V9-S11 PolarHBondContact O-N 3.33Å
12A32.8Very low31.1Very low86 Ų86138.5 Ų138.571%0.71181%0.808SS**SBendtrans-93-16.1-172.900000115
13A30.6Very low30.9Very low79 Ų79139.3 Ų139.365%0.65381%0.808SS**SBendtrans-88.5-10.5-175.600000114.4
14L30.5Very low30.7Very low157 Ų157143.1 Ų143.182%0.82281%0.806SS**SBendtrans-101.23.6-175.7-101.3136.1000114.6
15K32.4Very low30.3Very low187 Ų187140.2 Ų140.281%0.81380%0.799SS**SBendtrans-109.57-179.1-78-175.5176.9179.60115.2
16S31.6Very low30.1Very low98 Ų98138.5 Ų138.569%0.68579%0.794SS**SBendtrans-109.513.8-178.770.30000115.3
17L32.4Very low29.6Very low171 Ų171138.7 Ų138.790%0.89579%0.79SS**  trans-127.684.9173.7-79.6157.8000109.1
18G26.1Very low29.3Very low65 Ų65142.5 Ų142.567%0.6780%0.797SS**  trans-165124175.300000111.8
19S30Very low28.9Very low132 Ų132140 Ų14092%0.92380%0.795SS**  trans76124.6-175.282.50000114.4
20G26.3Very low28.6Very low71 Ų71138.2 Ų138.273%0.73279%0.793SS**  cis138.8101.811.900000107.1
21R27.6Very low28.3Very low251 Ų251138.8 Ų138.895%0.94779%0.791SS**  trans-146.2123161.1-84.4-165.9-176.7-177.40110.6
22L29.9Very low28Very low167 Ų167142 Ų14287%0.87480%0.8SS**  trans-51.1134.1160.8-71.4119.6000110.4
23F26.9Very low27.6Very low210 Ų210141.9 Ų141.992%0.92180%0.795SS**  trans-158.5127.3134.2-110-78.9000109.9
24R26.4Very low27.6Very low231 Ų231147 Ų14787%0.87281%0.805SS**  trans-50.1122.6171.4-81.6173.1168.7174.9-5.4110.8
25S25.3Very low27.4Very low102 Ų102147.6 Ų147.671%0.71380%0.803SS**  59.3108.296.3810000114.8
26E26.6Very low27.1Very low176 Ų176148.3 Ų148.382%0.82281%0.806SS**  trans-159.1122.9137.8-109.8172.1-160.200110.1
27L25.5Very low26.8Very low141 Ų141148.4 Ų148.474%0.73881%0.807SS**  trans62.6105142.8-64155.5000118.9
28L25.8Very low26.6Very low169 Ų169144 Ų14489%0.88580%0.796SS**  -174.4115101.1-96.1153.9000110.8
29T25.1Very low26.6Very low133 Ų133147.7 Ų147.782%0.81681%0.805SS**  trans-73.8132.1163.838.40000111.1
30A26.2Very low26.7Very low88 Ų88150.5 Ų150.573%0.72780%0.804SS**  trans175.391.8139.700000107.3
31S24.6Very low26.8Very low105 Ų105154 Ų15473%0.73481%0.811SS**  60.8115.590.571.60000114
32L25.8Very low26.9Very low162 Ų162153.5 Ų153.585%0.84881%0.809SS**  trans162.990136.1-84160.3000106.7
33S25Very low26.8Very low85 Ų85155.3 Ų155.359%0.59481%0.81SS**  61.9101.795.968.80000113.7
34H29Very low26.9Very low187 Ų187151.3 Ų151.387%0.86681%0.807SS**  -169.8132.1108.6-106.7-75.5000112
35H26.4Very low27.1Very low168 Ų168149.2 Ų149.278%0.77880%0.804SS**  trans-59.9142.7168.3-83.6-75.7000112.8
36F27Very low27.5Very low203 Ų203150.7 Ų150.789%0.8981%0.809SS**  -169.296121.5-106.5-79.6000106.7
37S24.6Very low27.9Very low99 Ų99151.2 Ų151.269%0.69281%0.811SS**  44.192.593-159.30000112.1
38A27.9Very low28.5Very low80 Ų80150.4 Ų150.466%0.66182%0.815SS**  92.3113.186.400000111.7
39T27.6Very low28.9Very low142 Ų142149.7 Ų149.787%0.87181%0.812SS**  trans-166.8125.8131.715.80000110.4
40Q30.7Very low29.8Very low191 Ų191148.9 Ų148.989%0.89381%0.809SS**  trans-57.4136.2163.1-71.8167.9-27.100109.8
41T28.4Very low30.6Very low144 Ų144153 Ų15388%0.88381%0.813SS**  trans-153.6148.1133.77.20000111.9
42R29.7Very low31.4Very low241 Ų241155.7 Ų155.791%0.90982%0.819SS**  trans-65.1152-164.9-72.6163.9167.8171.5-4.5113.6C44R42-C44 PolarHBondContact O-N 3.1Å
43F28.1Very low32.2Very low205 Ų205154.1 Ų154.190%0.89982%0.816SS**  trans-37.4126156.7-88.8-98000112.6
44C29.1Very low33.2Very low126 Ų126156.2 Ų156.285%0.85183%0.825SS**  trans-123.9122148.8-128.70000107.7R42R42-C44 PolarHBondContact O-N 3.1Å
45K31.9Very low34Very low187 Ų187152.6 Ų152.681%0.81382%0.816SS**  trans-68.1135.1177.4-70.5174.2173.3-179.10109.7
46T32.4Very low35.1Very low133 Ų133151.2 Ų151.282%0.81681%0.813SS**  trans-135.9107.7152.246.30000107.4
47E35.8Very low36.1Very low186 Ų186152.2 Ų152.287%0.86981%0.811SS**  trans-69.9137.7166.2-70.4179.9164.100109.4
48P37.4Very low37.7Very low125 Ų125151.1 Ų151.181%0.81280%0.8SS**  trans-99.9132.3157.68.411.5000111.3
49N35.2Very low39.7Very low153 Ų153150.3 Ų150.382%0.81879%0.788SS**  trans-22.5144173.5-129.30.6000119.1E51N49-E51 PolarHBondContact O-N 2.92Å
50P42.9Very low41.2Very low116 Ų116154.3 Ų154.375%0.75379%0.787SS**SBendtrans-96.760-175.339.8-32.3000112.7
51E44.2Very low42.7Very low176 Ų176152.6 Ų152.682%0.82277%0.773SS**  trans-142.270.7169-73.4-160.5167.700111.2N49N49-E51 PolarHBondContact O-N 2.92Å
52D41Very low44.2Very low161 Ų161148.8 Ų148.886%0.86175%0.747SS**  trans-159.474.5153.6-103.8-23.2000108.7V54D52-V54 PolarHBondContact O-N 3.31Å; D52-V54 VanDerWaalsContact O-N 3.1Å
53T41.2Very low45.7Very low129 Ų129141.8 Ų141.879%0.79173%0.727SS**  trans-72.7105168.448.20000108.6V55T53-V55 WeakPolarHBondContact O-CG2 3.48Å; T53-V55 PolarHBondContact O-N 3.13Å
54V46.5Very low47.4Very low128 Ų128138.7 Ų138.778%0.77671%0.714SS**  trans-57.4103.5167.5179.70000108.7D52 I56D52-V54 PolarHBondContact O-N 3.31Å; D52-V54 VanDerWaalsContact O-N 3.1Å; V54-I56 HydrophobicContact CG1-CG1 4.09Å; V54-I56 PolarHBondContact O-N 3.42Å; V54-I56 VanDerWaalsContact O-N 3.13Å
55V46Very low48.7Very low111 Ų111141 Ų14167%0.67370%0.704SS**  trans-79.894.5177.3-177.40000108.9T53 R57T53-V55 WeakPolarHBondContact O-CG2 3.48Å; T53-V55 PolarHBondContact O-N 3.13Å; V55-R57 PolarHBondContact O-N 3.25Å
56I49.6Very low50.2Low140 Ų140135.9 Ų135.972%0.71869%0.689SS**  trans-75.9109.5171.5-56.9177.3000108.6V54 V58V54-I56 HydrophobicContact CG1-CG1 4.09Å; V54-I56 PolarHBondContact O-N 3.42Å; V54-I56 VanDerWaalsContact O-N 3.13Å; I56-V58 PolarHBondContact O-N 3.41Å
57R47.5Very low51.6Low224 Ų224135.3 Ų135.385%0.84568%0.677SS**  trans-78.1109174.5-64.3-174.8-171.3-169.33.6109.5V55 P59V55-R57 PolarHBondContact O-N 3.25Å; R57-P59 WeakPolarHBondContact O-CD 3.43Å
58V59.8Low52.7Low76 Ų76131.1 Ų131.146%0.46166%0.66SS.*  trans-84.9122.8175.3-176.60000109.7I56 L62 L63I56-V58 PolarHBondContact O-N 3.41Å; V58-L62 HydrophobicContact CG1-CB 3.75Å; V58-L62 HydrophobicContact CG1-CD1 4.33Å; V58-L63 HydrophobicContact CG1-CD2 4.44Å; V58-L63 HydrophobicContact CG1-CG 4.17Å
59P68.3Low53.6Low63 Ų63129 Ų12941%0.40965%0.645SS.*  trans-54137.8174.1-2834.1000113R57 Y61 L62 L63R57-P59 WeakPolarHBondContact O-CD 3.43Å; P59-Y61 HydrophobicContact CB-CD1 3.51Å; P59-Y61 HydrophobicContact CB-CE1 3.33Å; P59-Y61 HydrophobicContact CG-CE1 4Å; P59-Y61 PolarHBondContact O-N 3.46Å; P59-L62 HydrophobicContact CG-CD1 4.44Å; P59-L62 WeakPolarHBondContact O-CB 3.48Å; P59-L62 PolarHBondContact O-N 3.36Å; P59-L63 PolarHBondContact O-N 3.04Å
60R58.9Low54.4Low225 Ų225128.7 Ų128.785%0.84964%0.636SS**Hα-helixtrans-54.1-30.6-175.9-79.4-177.3177.1169.2-0.7114.3L62 L63 K64R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 2.94Å; R60-L63 PolarHBondContact O-N 3.31Å; R60-K64 PolarHBondContact O-N 2.91Å
61Y63.4Low54.8Low155 Ų155130.1 Ų130.161%0.60863%0.633SS**Hα-helixtrans-68.5-31.2178.879.1-90.3000112.6P59 R65P59-Y61 HydrophobicContact CB-CD1 3.51Å; P59-Y61 HydrophobicContact CB-CE1 3.33Å; P59-Y61 HydrophobicContact CG-CE1 4Å; P59-Y61 PolarHBondContact O-N 3.46Å; Y61-R65 PolarHBondContact O-N 3.14Å
62L58.6Low55.1Low65 Ų65124.8 Ų124.834%0.3462%0.619SS.*Hα-helixtrans-72.8-36.4175-77.8168.4000111.5V58 P59 R60 R65 V66V58-L62 HydrophobicContact CG1-CB 3.75Å; V58-L62 HydrophobicContact CG1-CD1 4.33Å; P59-L62 HydrophobicContact CG-CD1 4.44Å; P59-L62 WeakPolarHBondContact O-CB 3.48Å; P59-L62 PolarHBondContact O-N 3.36Å; R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 2.94Å; L62-R65 WeakPolarHBondContact O-CB 3.43Å; L62-R65 PolarHBondContact O-N 3.48Å; L62-V66 WeakPolarHBondContact O-CG2 3.46Å; L62-V66 PolarHBondContact O-N 3.05Å
63L62.6Low55.4Low93 Ų93127.1 Ų127.149%0.48762%0.616SS.*Hα-helixtrans-63-44.8172.6-69.5169000111.4V58 P59 R60 R65 V66 E67V58-L63 HydrophobicContact CG1-CD2 4.44Å; V58-L63 HydrophobicContact CG1-CG 4.17Å; P59-L63 PolarHBondContact O-N 3.04Å; R60-L63 PolarHBondContact O-N 3.31Å; L63-R65 PolarHBondContact O-N 3.03Å; L63-V66 PolarHBondContact O-N 3.31Å; L63-V66 VanDerWaalsContact O-N 3.14Å; L63-E67 PolarHBondContact O-N 3.16Å
64K62.6Low55.3Low141 Ų141124.1 Ų124.161%0.61361%0.611SS**Hα-helixtrans-57.7-37.9172.2-112.3-179.6177.7-179.30112.2R60 E67 N68R60-K64 PolarHBondContact O-N 2.91Å; K64-E67 PolarHBondContact O-N 2.99Å; K64-N68 VanDerWaalsContact O-CB 3.31Å; K64-N68 WeakPolarHBondContact O-CB 3.35Å; K64-N68 PolarHBondContact O-N 3.19Å; K64-N68 PolarHBondContact O-ND2 3.41Å; K64-N68 PolarHBondContact O-OD1 2.92Å
65R57.5Low55.1Low174 Ų174125.6 Ų125.666%0.65761%0.607SS**Hα-helixtrans-68.8-37.4178.2-153.3173.4177.4169.1-1.3111.8Y61 L62 L63 V69Y61-R65 PolarHBondContact O-N 3.14Å; L62-R65 WeakPolarHBondContact O-CB 3.43Å; L62-R65 PolarHBondContact O-N 3.48Å; L63-R65 PolarHBondContact O-N 3.03Å; R65-V69 WeakPolarHBondContact O-CG2 3.48Å; R65-V69 PolarHBondContact O-N 3.18Å
66V62.2Low54.5Low80 Ų80125.9 Ų125.949%0.48561%0.611SS.*Hα-helixtrans-70.1-39.7174.2174.60000111.6L62 L63 V69 K70L62-V66 WeakPolarHBondContact O-CG2 3.46Å; L62-V66 PolarHBondContact O-N 3.05Å; L63-V66 PolarHBondContact O-N 3.31Å; L63-V66 VanDerWaalsContact O-N 3.14Å; V66-V69 PolarHBondContact O-N 2.89Å; V66-K70 WeakPolarHBondContact O-CG 3.21Å; V66-K70 PolarHBondContact O-N 3.04Å
67E61.6Low53.9Low120 Ų120128.9 Ų128.956%0.56162%0.618SS**Hα-helixtrans-64.2-41.9173.3-81.5175.3158.200112L63 K64 V69 K70 Q71L63-E67 PolarHBondContact O-N 3.16Å; K64-E67 PolarHBondContact O-N 2.99Å; E67-V69 VanDerWaalsContact C-N 3.31Å; E67-V69 PolarHBondContact O-N 2.88Å; E67-K70 PolarHBondContact O-N 3.46Å; E67-K70 VanDerWaalsContact O-N 3.16Å; E67-Q71 WeakPolarHBondContact O-CG 3.48Å; E67-Q71 PolarHBondContact O-N 2.82Å
68N60.3Low53.4Low98 Ų98125.2 Ų125.252%0.52461%0.614SS.*Hα-helixtrans-63.4-36.2174.4-70.3-11.7000112K64 A72K64-N68 VanDerWaalsContact O-CB 3.31Å; K64-N68 WeakPolarHBondContact O-CB 3.35Å; K64-N68 PolarHBondContact O-N 3.19Å; K64-N68 PolarHBondContact O-ND2 3.41Å; K64-N68 PolarHBondContact O-OD1 2.92Å; N68-A72 WeakPolarHBondContact O-CB 3.31Å; N68-A72 PolarHBondContact O-N 3.49Å
69V55.1Low52.1Low80 Ų80126 Ų12649%0.48562%0.623SS.*Hα-helixtrans-70.3-34.7173.91710000111.7R65 V66 E67 A72 R73R65-V69 WeakPolarHBondContact O-CG2 3.48Å; R65-V69 PolarHBondContact O-N 3.18Å; V66-V69 PolarHBondContact O-N 2.89Å; E67-V69 VanDerWaalsContact C-N 3.31Å; E67-V69 PolarHBondContact O-N 2.88Å; V69-A72 PolarHBondContact O-N 3.36Å; V69-R73 WeakPolarHBondContact O-CG 3.46Å; V69-R73 PolarHBondContact O-N 3.34Å
70K51.9Low50.5Low147 Ų147129.4 Ų129.464%0.63964%0.643SS**Hα-helixtrans-69.3-40172.9-76.7-178177.5-1780112.2V66 E67 A72 R73 G74V66-K70 WeakPolarHBondContact O-CG 3.21Å; V66-K70 PolarHBondContact O-N 3.04Å; E67-K70 PolarHBondContact O-N 3.46Å; E67-K70 VanDerWaalsContact O-N 3.16Å; K70-A72 VanDerWaalsContact C-N 3.35Å; K70-R73 WeakPolarHBondContact O-CB 3.5Å; K70-R73 PolarHBondContact O-N 3.13Å; K70-G74 PolarHBondContact O-N 3.39Å
71Q51.4Low49.6Very low146 Ų146123.6 Ų123.668%0.68263%0.632SS**Hα-helixtrans-67.4-34173.4-74.1-174-7.300112.1E67 R73 G74E67-Q71 WeakPolarHBondContact O-CG 3.48Å; E67-Q71 PolarHBondContact O-N 2.82Å; Q71-R73 VanDerWaalsContact C-N 3.27Å; Q71-R73 PolarHBondContact O-N 3.41Å; Q71-G74 PolarHBondContact O-N 3.19Å; Q71-G74 VanDerWaalsContact O-N 3.13Å
72A51.4Low48.5Very low65 Ų65125.5 Ų125.554%0.53764%0.643SS.*Hα-helixtrans-66.5-26.317200000113.3N68 V69 K70 G74N68-A72 WeakPolarHBondContact O-CB 3.31Å; N68-A72 PolarHBondContact O-N 3.49Å; V69-A72 PolarHBondContact O-N 3.36Å; K70-A72 VanDerWaalsContact C-N 3.35Å; A72-G74 VanDerWaalsContact C-N 3.31Å
73R46.4Very low48.1Very low210 Ų210127.7 Ų127.779%0.79267%0.671SS**THydrogen-bonded Turntrans-78-11.7172.6-75.4179.5174.4-174.2-0.9113.9V69 K70 Q71V69-R73 WeakPolarHBondContact O-CG 3.46Å; V69-R73 PolarHBondContact O-N 3.34Å; K70-R73 WeakPolarHBondContact O-CB 3.5Å; K70-R73 PolarHBondContact O-N 3.13Å; Q71-R73 VanDerWaalsContact C-N 3.27Å; Q71-R73 PolarHBondContact O-N 3.41Å
74G39.7Very low48.1Very low66 Ų66125 Ų12568%0.6867%0.665SS**THydrogen-bonded Turntrans-95.51.4178.500000115.1K70 Q71 A72K70-G74 PolarHBondContact O-N 3.39Å; Q71-G74 PolarHBondContact O-N 3.19Å; Q71-G74 VanDerWaalsContact O-N 3.13Å; A72-G74 VanDerWaalsContact C-N 3.31Å
75K41.3Very low49Very low159 Ų159123.1 Ų123.169%0.69166%0.657SS**SBendtrans-66.4144.5162.9-71.1-176.4178.5-177.60108K77K75-K77 PolarHBondContact O-N 3.24Å
76P33.8Very low50.5Low117 Ų117117.6 Ų117.676%0.7664%0.64SS**  trans-49.7124.9175.422.2-31.8000106.7I78P76-I78 VanDerWaalsContact C-N 3.26Å; P76-I78 PolarHBondContact O-N 3.13Å
77K36.8Very low51.9Low203 Ų203114.1 Ų114.188%0.88362%0.619SS**  trans-50.8103.9170.4-93.3178.1173.91750105K75 S79K75-K77 PolarHBondContact O-N 3.24Å; K77-S79 VanDerWaalsContact C-N 3.3Å; K77-S79 PolarHBondContact O-N 3.23Å
78I38.5Very low53.4Low147 Ų147108.4 Ų108.475%0.75459%0.592SS**  trans-51.7114.7154.3-61.8171.7000101.4P76 T80P76-I78 VanDerWaalsContact C-N 3.26Å; P76-I78 PolarHBondContact O-N 3.13Å; I78-T80 PolarHBondContact O-N 3.05Å
79S31.1Very low55.1Low93 Ų93107.6 Ų107.665%0.6559%0.585SS**  trans-55100.2175.555.40000105.2K77 V81K77-S79 VanDerWaalsContact C-N 3.3Å; K77-S79 PolarHBondContact O-N 3.23Å; S79-V81 PolarHBondContact O-N 3.2Å
80T34.9Very low56.9Low133 Ų133104.2 Ų104.282%0.81657%0.565SS**  trans-70.284.2168.339.10000104I78 K82I78-T80 PolarHBondContact O-N 3.05Å; T80-K82 PolarHBondContact O-N 2.65Å
81V39.9Very low58.8Low103 Ų103103.9 Ų103.962%0.62456%0.56SS**  trans-46.8121.8165.3-176.90000104.3S79 A83S79-V81 PolarHBondContact O-N 3.2Å; V81-A83 PolarHBondContact O-N 3.21Å
82K41.5Very low60.6Low196 Ų196101 Ų10185%0.85255%0.549SS*.  trans-40.3131.5167.5-81.6-179.8174.3178.70107.3T80 G84T80-K82 PolarHBondContact O-N 2.65Å; K82-G84 VanDerWaalsContact C-N 3.27Å; K82-G84 PolarHBondContact O-N 3.17Å
83A48.7Very low62.4Low111 Ų111102.4 Ų102.492%0.91755%0.553SS**  trans-51.993.1-176.300000110V81V81-A83 PolarHBondContact O-N 3.21Å
84G62.9Low64.5Low35 Ų3596.8 Ų96.836%0.36155%0.546SS..PPolyproline II helixtrans-75.9163.7-177.900000109.3K82 L86K82-G84 VanDerWaalsContact C-N 3.27Å; K82-G84 PolarHBondContact O-N 3.17Å; G84-L86 PolarHBondContact O-N 3.01Å
85K81.3Confident66.9Low102 Ų10295.6 Ų95.644%0.44352%0.523SS..PPolyproline II helixtrans-50127.7170.8-161.1175.1-165.5-1750108.8A99 N130K85-A99 HydrophobicContact CB-CB 4.48Å; K85-A99 WeakPolarHBondContact O-CB 3.41Å; K85-A99 PolarHBondContact O-N 2.74Å; K85-N130 WeakPolarHBondContact CE-O 3.41Å; K85-N130 PolarHBondContact NZ-O 2.7Å; K85-N130 PolarHBondContact NZ-OD1 2.73Å
86L89.3Confident69.3Low58 Ų5890.4 Ų90.430%0.30450%0.503SS..EExtended strand (participates in β ladder)trans-74.2130.1176.7-69.1178.1000108.8G84 Q89 N96 Q97 N129G84-L86 PolarHBondContact O-N 3.01Å; L86-Q89 HydrophobicContact CD1-CB 4.37Å; L86-N96 HydrophobicContact CD2-CB 4.28Å; L86-Q97 CarbonylContact C-O 3.56Å; L86-N129 VanDerWaalsContact O-CB 3.23Å; L86-N129 WeakPolarHBondContact O-CB 3.32Å; L86-N129 PolarHBondContact O-ND2 3.35Å; L86-N129 VanDerWaalsContact O-ND2 3.1Å
87L91.9Very high72Confident7 Ų785.3 Ų85.34%0.03747%0.469CS..EExtended strand (participates in β ladder)trans-78.9-53168171.365.4000110.1Q97 A99 I128 N129 I131L87-Q97 PolarHBondContact N-O 3.24Å; L87-A99 HydrophobicContact CB-CB 4.25Å; L87-I128 HydrophobicContact CD1-CG2 4.06Å; L87-I128 CarbonylContact O-C 3.55Å; L87-I128 WeakPolarHBondContact O-CA 3.29Å; L87-N129 PolarHBondContact O-N 3.17Å; L87-I131 HydrophobicContact CD1-CG2 3.81Å
88I93.8Very high74.5Confident0 Ų077.2 Ų77.20%044%0.439CS..EExtended strand (participates in β ladder)trans-108.6125.1175-53.7-61.2000108.6N96 Q97 F126 T127 I128 A536 R537I88-N96 VanDerWaalsContact O-CA 3.28Å; I88-N96 WeakPolarHBondContact O-CA 3.38Å; I88-Q97 HydrophobicContact CB-CB 3.98Å; I88-Q97 HydrophobicContact CG1-CB 4.12Å; I88-Q97 PolarHBondContact N-O 3Å; I88-Q97 VanDerWaalsContact N-O 3.15Å; I88-Q97 PolarHBondContact O-N 2.63Å; I88-F126 HydrophobicContact CG2-CD2 4.46Å; I88-T127 WeakPolarHBondContact CA-O 3.41Å; I88-I128 HydrophobicContact CD1-CB 4.3Å; I88-I128 HydrophobicContact CD1-CG1 3.75Å; I88-I128 HydrophobicContact CD1-CG2 4.3Å; I88-A536 HydrophobicContact CD1-CB 4.14Å; I88-R537 HydrophobicContact CD1-CG 4.4Å; I88-R537 HydrophobicContact CG1-CG 3.89Å
89Q94.6Very high76.7Confident81 Ų8171.2 Ų71.238%0.37941%0.411SS..EExtended strand (participates in β ladder)trans-118.5128.1169.7177.5177.9-9.900108.2L86 N96 F126 T127L86-Q89 HydrophobicContact CD1-CB 4.37Å; Q89-N96 WeakPolarHBondContact CA-OD1 3.47Å; Q89-F126 CarbonylContact O-C 3.55Å; Q89-F126 VanDerWaalsContact O-CA 3.29Å; Q89-F126 WeakPolarHBondContact O-CA 3.28Å; Q89-T127 PolarHBondContact N-O 3.2Å; Q89-T127 PolarHBondContact O-N 3.46Å
90S94Very high79.1Confident9 Ų970.4 Ų70.46%0.06342%0.417CS..EExtended strand (participates in β ladder)trans-130.8168.218080.80000111.9N92 N96 C112S90-N92 PolarHBondContact O-N 3.2Å; S90-N92 PolarHBondContact OG-N 3.21Å; S90-N92 PolarHBondContact OG-O 3.39Å; S90-N96 PolarHBondContact N-OD1 3.47Å; S90-C112 WeakPolarHBondContact CB-SG 3.39Å
91R90.6Very high81.4Confident141 Ų14169 Ų6953%0.53240%0.4SS..SBendtrans-55.5-33.7173.3-170.7-177.8-178.5179.57.8112.5P93 D124 Y125R91-P93 WeakPolarHBondContact O-CD 3.29Å; R91-D124 VanDerWaalsContact CD-OD1 3.29Å; R91-D124 WeakPolarHBondContact CD-OD1 3.27Å; R91-D124 IonicContact CZ-OD1 2.66Å; R91-D124 IonicContact NE-OD1 3.25Å; R91-D124 IonicContact NH1-OD1 3.87Å; R91-D124 PolarHBondContact NH1-OD1 3.34Å; R91-Y125 HydrophobicContact CB-CD1 3.98Å; R91-Y125 HydrophobicContact CB-CE1 3.76Å; R91-Y125 HydrophobicContact CG-CD1 4.44Å; R91-Y125 HydrophobicContact CG-CE1 4Å; R91-Y125 PolarHBondContact N-O 2.91Å; R91-Y125 VanDerWaalsContact N-O 3.11Å
92N89.9Confident83.4Confident84 Ų8467.1 Ų67.145%0.44939%0.388SS..SBendtrans-97.4107.6174.9-173.6-6.9000110.4S90 S94 L95S90-N92 PolarHBondContact O-N 3.2Å; S90-N92 PolarHBondContact OG-N 3.21Å; S90-N92 PolarHBondContact OG-O 3.39Å; N92-S94 PolarHBondContact ND2-OG 2.98Å; N92-S94 PolarHBondContact O-N 3.41Å; N92-S94 PolarHBondContact OD1-N 3.36Å; N92-S94 PolarHBondContact OD1-OG 3.41Å; N92-L95 HydrophobicContact CB-CD1 4.22Å; N92-L95 HydrophobicContact CB-CG 4.35Å; N92-L95 PolarHBondContact O-N 2.95Å
93P89.4Confident85.2Confident96 Ų9658.2 Ų58.262%0.62335%0.351SS*.G310 helixtrans-59.5-21.6-174.8-25.635.9000114.8R91 L95 N96R91-P93 WeakPolarHBondContact O-CD 3.29Å; P93-L95 PolarHBondContact O-N 3.21Å; P93-N96 WeakPolarHBondContact O-CB 3.44Å; P93-N96 PolarHBondContact O-N 3.11Å
94S89.6Confident86.6Confident92 Ų9254.4 Ų54.464%0.64332%0.323SS*.G310 helixtrans-69.6-19.4177.568.70000113.9N92N92-S94 PolarHBondContact ND2-OG 2.98Å; N92-S94 PolarHBondContact O-N 3.41Å; N92-S94 PolarHBondContact OD1-N 3.36Å; N92-S94 PolarHBondContact OD1-OG 3.41Å
95L90.5Very high87.1Confident40 Ų4061 Ų6121%0.20934%0.341CS..G310 helixtrans-95.51.7178.9-57.2179000112.7N92 P93 V110 R537N92-L95 HydrophobicContact CB-CD1 4.22Å; N92-L95 HydrophobicContact CB-CG 4.35Å; N92-L95 PolarHBondContact O-N 2.95Å; P93-L95 PolarHBondContact O-N 3.21Å; L95-V110 HydrophobicContact CD2-CB 4.25Å; L95-V110 HydrophobicContact CD2-CG1 3.61Å; L95-R537 PolarHBondContact O-NH1 2.88Å; L95-R537 PolarHBondContact O-NH2 3.45Å
96N92.6Very high86.9Confident50 Ų5065.2 Ų65.227%0.26736%0.36SS..  trans-64.7148.9175.7-69-6.3000110.8L86 I88 Q89 S90 P93L86-N96 HydrophobicContact CD2-CB 4.28Å; I88-N96 VanDerWaalsContact O-CA 3.28Å; I88-N96 WeakPolarHBondContact O-CA 3.38Å; Q89-N96 WeakPolarHBondContact CA-OD1 3.47Å; S90-N96 PolarHBondContact N-OD1 3.47Å; P93-N96 WeakPolarHBondContact O-CB 3.44Å; P93-N96 PolarHBondContact O-N 3.11Å
97Q90.4Very high86.5Confident10 Ų1067.1 Ų67.15%0.04737%0.368CS..EExtended strand (participates in β ladder)trans-129128.4177.2179.1171.1-26.500110.3L86 L87 I88 F101 R537L86-Q97 CarbonylContact C-O 3.56Å; L87-Q97 PolarHBondContact N-O 3.24Å; I88-Q97 HydrophobicContact CB-CB 3.98Å; I88-Q97 HydrophobicContact CG1-CB 4.12Å; I88-Q97 PolarHBondContact N-O 3Å; I88-Q97 VanDerWaalsContact N-O 3.15Å; I88-Q97 PolarHBondContact O-N 2.63Å; Q97-F101 HydrophobicContact CG-CD1 3.97Å; Q97-F101 PolarHBondContact NE2-O 2.69Å; Q97-R537 PolarHBondContact NE2-O 2.89Å
98S89Confident85.8Confident34 Ų3475.1 Ų75.124%0.23841%0.405CS..EExtended strand (participates in β ladder)trans-68.7143.7171.3173.20000111G100 F101S98-G100 PolarHBondContact O-N 2.65Å; S98-G100 PolarHBondContact OG-N 2.73Å; S98-F101 PolarHBondContact O-N 3.41Å
99A85Confident85.2Confident21 Ų2176.2 Ų76.217%0.17441%0.412CS..THydrogen-bonded Turntrans-62.4-22.6176.200000113.8K85 L87 F101 I131 K539K85-A99 HydrophobicContact CB-CB 4.48Å; K85-A99 WeakPolarHBondContact O-CB 3.41Å; K85-A99 PolarHBondContact O-N 2.74Å; L87-A99 HydrophobicContact CB-CB 4.25Å; A99-F101 VanDerWaalsContact C-N 3.31Å; A99-I131 HydrophobicContact CB-CG2 3.89Å; A99-K539 PolarHBondContact O-NZ 3Å
100G81.6Confident84.9Confident75 Ų7576.6 Ų76.677%0.77342%0.42SS*.THydrogen-bonded Turntrans-78.8-10.5174.900000114.4S98S98-G100 PolarHBondContact O-N 2.65Å; S98-G100 PolarHBondContact OG-N 2.73Å
101F82.7Confident84.9Confident105 Ų10577.3 Ų77.346%0.46142%0.423SS..  trans-106131.4176.1-179.8-98.8000109.9Q97 S98 A99Q97-F101 HydrophobicContact CG-CD1 3.97Å; Q97-F101 PolarHBondContact NE2-O 2.69Å; S98-F101 PolarHBondContact O-N 3.41Å; A99-F101 VanDerWaalsContact C-N 3.31Å
102T82.5Confident85Confident62 Ų6271.2 Ų71.238%0.3840%0.401SS..  trans-122.7126.9173.6-530000107.3R538 K539T102-R538 VanDerWaalsContact CG2-O 3.3Å; T102-R538 WeakPolarHBondContact CG2-O 2.91Å; T102-K539 HydrophobicContact CG2-CD 4.48Å; T102-K539 HydrophobicContact CG2-CG 4.43Å
103A79.8Confident85.2Confident9 Ų967.2 Ų67.27%0.07438%0.38CS..  trans-62.9138.8-179.700000110.8P109 R537 R538A103-P109 HydrophobicContact CB-CB 4.35Å; A103-R537 PolarHBondContact N-O 2.88Å; A103-R538 HydrophobicContact CB-CG 4.12Å
104G77.6Confident85.4Confident31 Ų3170.2 Ų70.232%0.3238%0.383SS..  trans-63.9156.7-179.500000113F106 E107G104-F106 VanDerWaalsContact C-N 3.27Å; G104-F106 PolarHBondContact O-N 3.1Å; G104-E107 PolarHBondContact N-OE2 3.21Å; G104-E107 VanDerWaalsContact N-OE2 3.07Å; G104-E107 PolarHBondContact O-N 3.24Å
105K73.8Confident85.5Confident173 Ų17367.4 Ų67.475%0.75237%0.369SS*.THydrogen-bonded Turntrans-57.7-39.4179.5-174.1178.5179.2-178.90112.7
106F76.4Confident85.7Confident192 Ų19265.7 Ų65.784%0.84236%0.36SS*.THydrogen-bonded Turntrans-96.7-4.3-178.7-56.3-71.5000113.4G104G104-F106 VanDerWaalsContact C-N 3.27Å; G104-F106 PolarHBondContact O-N 3.1Å
107E80.6Confident85.9Confident98 Ų9868.8 Ų68.846%0.45837%0.371SS..  trans-83.1127.9177.4-168.9179.9-174.700108.7G104 P109 R538G104-E107 PolarHBondContact N-OE2 3.21Å; G104-E107 VanDerWaalsContact N-OE2 3.07Å; G104-E107 PolarHBondContact O-N 3.24Å; E107-P109 WeakPolarHBondContact O-CD 3.38Å; E107-R538 PolarHBondContact O-NH2 2.9Å
108Q77.2Confident86.1Confident174 Ų17474.7 Ų74.781%0.81340%0.398SS*.  trans-84.2107.6171.5-71.1-166.4-1.300108.8V110Q108-V110 PolarHBondContact O-N 2.83Å
109P82.3Confident86.2Confident24 Ų2478.5 Ų78.516%0.15642%0.416CS..  trans-64.6139.6179.426.9-33.4000110.2A103 E107 L111 T534A103-P109 HydrophobicContact CB-CB 4.35Å; E107-P109 WeakPolarHBondContact O-CD 3.38Å; P109-L111 HydrophobicContact CB-CD2 4.26Å; P109-L111 HydrophobicContact CG-CD2 3.93Å; P109-L111 PolarHBondContact O-N 3.31Å; P109-T534 HydrophobicContact CG-CG2 4.22Å
110V87.3Confident86.6Confident89 Ų8987.3 Ų87.354%0.53945%0.45SS..  trans-73.8111.8169.2-174.10000108L95 Q108L95-V110 HydrophobicContact CD2-CB 4.25Å; L95-V110 HydrophobicContact CD2-CG1 3.61Å; Q108-V110 PolarHBondContact O-N 2.83Å
111L93.3Very high87.1Confident24 Ų2484 Ų8413%0.12642%0.416CS..  trans-82.3141.3-174.8-58.4-177.4000112.1P109 S113 K114 Q530 E533P109-L111 HydrophobicContact CB-CD2 4.26Å; P109-L111 HydrophobicContact CG-CD2 3.93Å; P109-L111 PolarHBondContact O-N 3.31Å; L111-S113 PolarHBondContact O-N 3Å; L111-K114 HydrophobicContact CB-CB 4.32Å; L111-K114 WeakPolarHBondContact O-CB 3.11Å; L111-K114 PolarHBondContact O-N 3.3Å; L111-Q530 HydrophobicContact CD1-CB 3.73Å; L111-Q530 HydrophobicContact CD1-CG 3.73Å; L111-E533 VanDerWaalsContact CA-OE1 3.3Å; L111-E533 WeakPolarHBondContact CA-OE1 3.35Å; L111-E533 WeakPolarHBondContact CB-OE2 3.36Å; L111-E533 HydrophobicContact CD2-CB 4.31Å; L111-E533 HydrophobicContact CD2-CG 4.05Å
112C94.1Very high87.7Confident12 Ų1281.4 Ų81.48%0.08140%0.404CS..THydrogen-bonded Turntrans-61.9-36.6167.9-640000111.2S90 K114 W116 F126 E533 R537S90-C112 WeakPolarHBondContact CB-SG 3.39Å; C112-K114 PolarHBondContact O-N 3.37Å; C112-W116 PolarHBondContact O-NE1 3.14Å; C112-F126 HydrophobicContact CB-CB 3.78Å; C112-F126 HydrophobicContact CB-CD1 3.93Å; C112-F126 HydrophobicContact CB-CG 3.95Å; C112-E533 WeakPolarHBondContact CB-OE1 3.32Å; C112-E533 VanDerWaalsContact N-CD 3.34Å; C112-E533 PolarHBondContact N-OE1 2.91Å; C112-E533 PolarHBondContact N-OE2 2.63Å; C112-E533 VanDerWaalsContact N-OE2 3.17Å; C112-R537 PolarHBondContact SG-NH2 3.29Å
113S94.3Very high88.2Confident0 Ų080.2 Ų80.20%040%0.404CS..THydrogen-bonded Turntrans-78.64.5176.855.50000113.8L111 G115 W116 Q530 E533L111-S113 PolarHBondContact O-N 3Å; S113-G115 PolarHBondContact O-N 2.91Å; S113-G115 VanDerWaalsContact O-N 3.14Å; S113-W116 WeakPolarHBondContact O-CB 3.35Å; S113-W116 PolarHBondContact O-N 3.34Å; S113-W116 VanDerWaalsContact O-N 3.17Å; S113-Q530 PolarHBondContact O-NE2 2.92Å; S113-Q530 WeakPolarHBondContact OG-CG 3.41Å; S113-E533 WeakPolarHBondContact CB-OE2 3.17Å; S113-E533 PolarHBondContact N-OE2 3.34Å; S113-E533 PolarHBondContact OG-OE2 3.29Å
114K92.2Very high89Confident159 Ų15982 Ų8269%0.69141%0.412SS*.THydrogen-bonded Turntrans-66.2113.9175.3-171.9176.1-179.2177.20109.4L111 C112L111-K114 HydrophobicContact CB-CB 4.32Å; L111-K114 WeakPolarHBondContact O-CB 3.11Å; L111-K114 PolarHBondContact O-N 3.3Å; C112-K114 PolarHBondContact O-N 3.37Å
115G92.2Very high89.9Confident34 Ų3484.7 Ų84.735%0.35141%0.413SS..THydrogen-bonded Turntrans98.30.3-178.700000115S113 K117 H118S113-G115 PolarHBondContact O-N 2.91Å; S113-G115 VanDerWaalsContact O-N 3.14Å; G115-K117 PolarHBondContact O-N 2.75Å; G115-H118 PolarHBondContact O-N 2.88Å
116W96Very high91Very high3 Ų376.4 Ų76.41%0.01138%0.378CS..THydrogen-bonded Turntrans-65.8-5.4178.9-78.523.9000115.3C112 S113 S121 D124 F126 F389 K391 V520 V526 V529C112-W116 PolarHBondContact O-NE1 3.14Å; S113-W116 WeakPolarHBondContact O-CB 3.35Å; S113-W116 PolarHBondContact O-N 3.34Å; S113-W116 VanDerWaalsContact O-N 3.17Å; W116-S121 WeakPolarHBondContact CA-OG 3.28Å; W116-D124 HydrophobicContact CZ2-CB 4Å; W116-F126 AromaticContact CH2-CD1 3.62Å; W116-F126 HydrophobicContact CH2-CD1 3.62Å; W116-F126 AromaticContact CH2-CE1 3.84Å; W116-F126 HydrophobicContact CH2-CE1 3.84Å; W116-F126 AromaticContact CZ2-CD1 3.91Å; W116-F126 HydrophobicContact CZ2-CD1 3.91Å; W116-F126 HydrophobicContact CZ2-CE1 4.41Å; W116-F126 HydrophobicContact CZ3-CD1 4.37Å; W116-F126 HydrophobicContact CZ3-CE1 4.13Å; W116-F389 HydrophobicContact CH2-CB 4.14Å; W116-F389 HydrophobicContact CZ3-CB 4.17Å; W116-K391 HydrophobicContact CB-CD 4.27Å; W116-K391 HydrophobicContact CD2-CB 4.05Å; W116-K391 HydrophobicContact CD2-CD 4.38Å; W116-K391 HydrophobicContact CE3-CB 3.98Å; W116-K391 HydrophobicContact CE3-CD 4.19Å; W116-K391 HydrophobicContact CG-CD 4.45Å; W116-K391 HydrophobicContact CH2-CB 4.37Å; W116-K391 HydrophobicContact CZ2-CB 4.43Å; W116-K391 HydrophobicContact CZ3-CB 4.14Å; W116-K391 WeakPolarHBondContact O-CE 3.33Å; W116-K391 PolarHBondContact O-NZ 3.27Å; W116-K391 VanDerWaalsContact O-NZ 3.14Å; W116-V520 HydrophobicContact CE3-CB 4.31Å; W116-V520 HydrophobicContact CE3-CG1 4.16Å; W116-V520 HydrophobicContact CE3-CG2 4.5Å; W116-V520 HydrophobicContact CZ3-CB 4.18Å; W116-V520 HydrophobicContact CZ3-CG1 4.49Å; W116-V520 HydrophobicContact CZ3-CG2 4.02Å; W116-V526 HydrophobicContact CB-CG1 3.85Å; W116-V526 HydrophobicContact CB-CG2 3.89Å; W116-V526 WeakPolarHBondContact O-CG2 3.45Å; W116-V529 HydrophobicContact CE3-CG1 4.36Å; W116-V529 HydrophobicContact CZ3-CG1 4.21Å
117K94.9Very high92Very high116 Ų11667.8 Ų67.850%0.50434%0.34SS..THydrogen-bonded Turntrans-70.4-20.5168.1-65.8-171.4175.4-175.90112.3G115 P523 V526G115-K117 PolarHBondContact O-N 2.75Å; K117-P523 HydrophobicContact CB-CB 4.43Å; K117-P523 HydrophobicContact CG-CB 4.41Å; K117-V526 HydrophobicContact CG-CB 4.11Å; K117-V526 HydrophobicContact CG-CG1 4.06Å; K117-V526 HydrophobicContact CG-CG2 4.22Å
118H94.7Very high92.7Very high133 Ų13363.5 Ų63.562%0.61632%0.32SS*.SBendtrans-95.6141.4179.3-61.3-69000112.3G115 K120 S121G115-H118 PolarHBondContact O-N 2.88Å; H118-K120 PolarHBondContact O-N 3.19Å; H118-S121 WeakPolarHBondContact O-CB 3.48Å; H118-S121 PolarHBondContact O-N 3.32Å; H118-S121 PolarHBondContact O-OG 3.23Å
119N91.1Very high93.5Very high114 Ų11456.4 Ų56.461%0.6129%0.288SS*.G310 helixtrans-60.9-18.8178.3-69-3.7000114.3S121 F122N119-S121 PolarHBondContact O-N 3.27Å; N119-F122 HydrophobicContact CB-CD2 3.95Å; N119-F122 HydrophobicContact CB-CE2 3.45Å; N119-F122 VanDerWaalsContact CB-CE2 3.45Å; N119-F122 HydrophobicContact CB-CZ 4.28Å; N119-F122 VanDerWaalsContact CG-CE2 3.5Å; N119-F122 WeakPolarHBondContact O-CD2 3.49Å; N119-F122 WeakPolarHBondContact O-CG 3.15Å; N119-F122 PolarHBondContact O-N 2.92Å
120K93.6Very high93.7Very high207 Ų20757.7 Ų57.790%0.929%0.294SS*.G310 helixtrans-65.2-17.6175.4-66.4-176.5179.5179.60113.3H118 F122H118-K120 PolarHBondContact O-N 3.19Å; K120-F122 VanDerWaalsContact C-N 3.34Å
121S93.3Very high93.5Very high6 Ų656 Ų564%0.04228%0.281CS..G310 helixtrans-84.3-1.1178.963.80000114.1W116 H118 N119 G123 D124 K391W116-S121 WeakPolarHBondContact CA-OG 3.28Å; H118-S121 WeakPolarHBondContact O-CB 3.48Å; H118-S121 PolarHBondContact O-N 3.32Å; H118-S121 PolarHBondContact O-OG 3.23Å; N119-S121 PolarHBondContact O-N 3.27Å; S121-G123 PolarHBondContact O-N 3Å; S121-D124 WeakPolarHBondContact CA-OD2 3.19Å; S121-D124 WeakPolarHBondContact O-CB 3.33Å; S121-D124 PolarHBondContact O-N 3.19Å; S121-K391 WeakPolarHBondContact O-CB 3.33Å; S121-K391 WeakPolarHBondContact O-CG 3.28Å
122F94.8Very high92.9Very high50 Ų5059.5 Ų59.522%0.21930%0.296CS..THydrogen-bonded Turntrans-58.6130.1175.5-67.9-53000110.7N119 K120 K391 V392 K393N119-F122 HydrophobicContact CB-CD2 3.95Å; N119-F122 HydrophobicContact CB-CE2 3.45Å; N119-F122 VanDerWaalsContact CB-CE2 3.45Å; N119-F122 HydrophobicContact CB-CZ 4.28Å; N119-F122 VanDerWaalsContact CG-CE2 3.5Å; N119-F122 WeakPolarHBondContact O-CD2 3.49Å; N119-F122 WeakPolarHBondContact O-CG 3.15Å; N119-F122 PolarHBondContact O-N 2.92Å; K120-F122 VanDerWaalsContact C-N 3.34Å; F122-K391 HydrophobicContact CD1-CG 3.96Å; F122-K391 HydrophobicContact CE1-CG 4.5Å; F122-V392 VanDerWaalsContact CD1-C 3.48Å; F122-V392 VanDerWaalsContact CE1-O 3.32Å; F122-V392 WeakPolarHBondContact CE1-O 3.47Å; F122-K393 HydrophobicContact CB-CG 4.11Å; F122-K393 HydrophobicContact CD1-CB 4.46Å; F122-K393 HydrophobicContact CD1-CG 3.63Å; F122-K393 HydrophobicContact CD2-CD 3.99Å; F122-K393 HydrophobicContact CD2-CG 3.44Å; F122-K393 VanDerWaalsContact CD2-CG 3.44Å; F122-K393 HydrophobicContact CE1-CB 4.43Å; F122-K393 HydrophobicContact CE1-CG 3.82Å; F122-K393 HydrophobicContact CE2-CD 4.31Å; F122-K393 HydrophobicContact CE2-CG 3.64Å; F122-K393 HydrophobicContact CG-CD 4.32Å; F122-K393 HydrophobicContact CG-CG 3.47Å; F122-K393 VanDerWaalsContact CG-CG 3.47Å; F122-K393 HydrophobicContact CZ-CG 3.84Å
123G92.8Very high91.8Very high37 Ų3767 Ų6738%0.38133%0.329SS..THydrogen-bonded Turntrans88.7-6.1-171.900000114.5S121 K391S121-G123 PolarHBondContact O-N 3Å; G123-K391 PolarHBondContact N-O 3.13Å
124D96.1Very high90.9Very high46 Ų4671.1 Ų71.125%0.24635%0.354CS..  trans-73.1146.3170.1-69.4-16.2000110.9R91 W116 S121 K391R91-D124 VanDerWaalsContact CD-OD1 3.29Å; R91-D124 WeakPolarHBondContact CD-OD1 3.27Å; R91-D124 IonicContact CZ-OD1 2.66Å; R91-D124 IonicContact NE-OD1 3.25Å; R91-D124 IonicContact NH1-OD1 3.87Å; R91-D124 PolarHBondContact NH1-OD1 3.34Å; W116-D124 HydrophobicContact CZ2-CB 4Å; S121-D124 WeakPolarHBondContact CA-OD2 3.19Å; S121-D124 WeakPolarHBondContact O-CB 3.33Å; S121-D124 PolarHBondContact O-N 3.19Å; D124-K391 WeakPolarHBondContact O-CB 3.36Å; D124-K391 PolarHBondContact O-N 3.22Å
125Y96.9Very high90.1Very high87 Ų8764 Ų6434%0.34133%0.325SS..EExtended strand (participates in β ladder)trans-148.5158.9179.469-86000111.9R91 F389R91-Y125 HydrophobicContact CB-CD1 3.98Å; R91-Y125 HydrophobicContact CB-CE1 3.76Å; R91-Y125 HydrophobicContact CG-CD1 4.44Å; R91-Y125 HydrophobicContact CG-CE1 4Å; R91-Y125 PolarHBondContact N-O 2.91Å; R91-Y125 VanDerWaalsContact N-O 3.11Å; Y125-F389 WeakPolarHBondContact CA-O 3.29Å; Y125-F389 VanDerWaalsContact CB-O 3.27Å; Y125-F389 WeakPolarHBondContact CB-O 3.31Å
126F97.5Very high89.1Confident0 Ų063.9 Ų63.90%032%0.318CS..EExtended strand (participates in β ladder)trans-142.4153.9160.872-85.5000110.6I88 Q89 C112 W116 I128 F389 V529 E533I88-F126 HydrophobicContact CG2-CD2 4.46Å; Q89-F126 CarbonylContact O-C 3.55Å; Q89-F126 VanDerWaalsContact O-CA 3.29Å; Q89-F126 WeakPolarHBondContact O-CA 3.28Å; C112-F126 HydrophobicContact CB-CB 3.78Å; C112-F126 HydrophobicContact CB-CD1 3.93Å; C112-F126 HydrophobicContact CB-CG 3.95Å; W116-F126 AromaticContact CH2-CD1 3.62Å; W116-F126 HydrophobicContact CH2-CD1 3.62Å; W116-F126 AromaticContact CH2-CE1 3.84Å; W116-F126 HydrophobicContact CH2-CE1 3.84Å; W116-F126 AromaticContact CZ2-CD1 3.91Å; W116-F126 HydrophobicContact CZ2-CD1 3.91Å; W116-F126 HydrophobicContact CZ2-CE1 4.41Å; W116-F126 HydrophobicContact CZ3-CD1 4.37Å; W116-F126 HydrophobicContact CZ3-CE1 4.13Å; F126-I128 HydrophobicContact CD2-CG1 4.37Å; F126-I128 HydrophobicContact CE2-CD1 4.38Å; F126-I128 HydrophobicContact CE2-CG1 4.08Å; F126-F389 HydrophobicContact CD1-CB 4.06Å; F126-F389 HydrophobicContact CD2-CD2 4.12Å; F126-F389 HydrophobicContact CE1-CB 3.6Å; F126-F389 HydrophobicContact CE1-CD2 4.07Å; F126-F389 AromaticContact CE1-CG 3.93Å; F126-F389 HydrophobicContact CE1-CG 3.93Å; F126-F389 HydrophobicContact CE2-CB 4.42Å; F126-F389 AromaticContact CE2-CD2 3.39Å; F126-F389 HydrophobicContact CE2-CD2 3.39Å; F126-F389 AromaticContact CE2-CE2 3.92Å; F126-F389 HydrophobicContact CE2-CE2 3.92Å; F126-F389 HydrophobicContact CE2-CG 4.1Å; F126-F389 HydrophobicContact CZ-CB 3.81Å; F126-F389 HydrophobicContact CZ-CD1 4.39Å; F126-F389 AromaticContact CZ-CD2 3.36Å; F126-F389 HydrophobicContact CZ-CD2 3.36Å; F126-F389 HydrophobicContact CZ-CE2 4.03Å; F126-F389 AromaticContact CZ-CG 3.59Å; F126-F389 HydrophobicContact CZ-CG 3.59Å; F126-F389 PolarHBondContact N-O 3.22Å; F126-F389 PolarHBondContact O-N 2.99Å; F126-V529 HydrophobicContact CE1-CG1 3.59Å; F126-V529 HydrophobicContact CZ-CG1 3.75Å; F126-E533 HydrophobicContact CD2-CG 4.45Å; F126-E533 HydrophobicContact CE2-CB 4.11Å; F126-E533 HydrophobicContact CE2-CG 3.95Å; F126-E533 HydrophobicContact CZ-CB 3.92Å; F126-E533 HydrophobicContact CZ-CG 4.1Å
127T97Very high87.9Confident10 Ų1064 Ų646%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-124129.7178.8-58.90000108.9I88 Q89 N129 K386 Q387 T388I88-T127 WeakPolarHBondContact CA-O 3.41Å; Q89-T127 PolarHBondContact N-O 3.2Å; Q89-T127 PolarHBondContact O-N 3.46Å; T127-N129 WeakPolarHBondContact CG2-OD1 3.4Å; T127-K386 HydrophobicContact CG2-CD 4.27Å; T127-K386 HydrophobicContact CG2-CG 3.66Å; T127-Q387 CarbonylContact C-O 3.46Å; T127-Q387 VanDerWaalsContact CA-O 3.32Å; T127-Q387 WeakPolarHBondContact CA-O 3.43Å; T127-T388 WeakPolarHBondContact CG2-OG1 3.46Å; T127-T388 WeakPolarHBondContact OG1-CG2 3.43Å; T127-T388 PolarHBondContact OG1-OG1 3.35Å
128I95.9Very high86.8Confident8 Ų862 Ų624%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-88107.4163.5-49.2171000106.1L87 I88 F126 L381 K386 Q387 F389 I532 A536L87-I128 HydrophobicContact CD1-CG2 4.06Å; L87-I128 CarbonylContact O-C 3.55Å; L87-I128 WeakPolarHBondContact O-CA 3.29Å; I88-I128 HydrophobicContact CD1-CB 4.3Å; I88-I128 HydrophobicContact CD1-CG1 3.75Å; I88-I128 HydrophobicContact CD1-CG2 4.3Å; F126-I128 HydrophobicContact CD2-CG1 4.37Å; F126-I128 HydrophobicContact CE2-CD1 4.38Å; F126-I128 HydrophobicContact CE2-CG1 4.08Å; I128-L381 HydrophobicContact CD1-CD1 3.96Å; I128-K386 WeakPolarHBondContact O-CA 3.24Å; I128-Q387 HydrophobicContact CB-CB 4.28Å; I128-Q387 HydrophobicContact CD1-CB 4.48Å; I128-Q387 PolarHBondContact N-O 3.15Å; I128-Q387 PolarHBondContact O-N 3.04Å; I128-F389 HydrophobicContact CD1-CE2 3.83Å; I128-F389 HydrophobicContact CG1-CE2 4.36Å; I128-I532 HydrophobicContact CD1-CG2 4.21Å; I128-A536 HydrophobicContact CD1-CB 3.65Å; I128-A536 HydrophobicContact CG1-CB 4.15Å; I128-A536 HydrophobicContact CG2-CB 4.21Å
129N92.8Very high85Confident26 Ų2657.1 Ų57.114%0.13930%0.296CS..  trans-77.7151.9-179.8-68.5-43.7000110.9L86 L87 T127 I131L86-N129 VanDerWaalsContact O-CB 3.23Å; L86-N129 WeakPolarHBondContact O-CB 3.32Å; L86-N129 PolarHBondContact O-ND2 3.35Å; L86-N129 VanDerWaalsContact O-ND2 3.1Å; L87-N129 PolarHBondContact O-N 3.17Å; T127-N129 WeakPolarHBondContact CG2-OD1 3.4Å; N129-I131 PolarHBondContact O-N 3.12Å
130N87.6Confident83.1Confident50 Ų5055 Ų5527%0.26729%0.294SS..  trans-63.313017261.6-9.5000110.2K85 P383 H384K85-N130 WeakPolarHBondContact CE-O 3.41Å; K85-N130 PolarHBondContact NZ-O 2.7Å; K85-N130 PolarHBondContact NZ-OD1 2.73Å; N130-P383 CarbonylContact C-O 3.52Å; N130-P383 WeakPolarHBondContact CA-O 3.29Å; N130-H384 VanDerWaalsContact CB-O 3.28Å; N130-H384 WeakPolarHBondContact CB-O 3.36Å
131I82.6Confident80.7Confident55 Ų5549.8 Ų49.828%0.28228%0.284SS..  trans-104.3-17.417656168.1000112.3L87 A99 N129 P383L87-I131 HydrophobicContact CD1-CG2 3.81Å; A99-I131 HydrophobicContact CB-CG2 3.89Å; N129-I131 PolarHBondContact O-N 3.12Å; I131-P383 HydrophobicContact CD1-CB 4.01Å; I131-P383 HydrophobicContact CG1-CB 3.7Å; I131-P383 PolarHBondContact N-O 3.07Å
132K79.8Confident78.2Confident97 Ų9757.6 Ų57.642%0.42232%0.319SS..  trans-116.4148173.7-64.5-172179.6-173.50109.7P136 P383 H384K132-P136 HydrophobicContact CD-CG 4.34Å; K132-P383 HydrophobicContact CD-CB 4.28Å; K132-P383 HydrophobicContact CD-CG 3.93Å; K132-P383 HydrophobicContact CG-CB 4.26Å; K132-P383 HydrophobicContact CG-CG 4.39Å; K132-P383 PolarHBondContact N-O 3.31Å; K132-P383 VanDerWaalsContact N-O 3.15Å; K132-H384 HydrophobicContact CB-CB 4.41Å; K132-H384 VanDerWaalsContact O-CA 3.29Å; K132-H384 WeakPolarHBondContact O-CA 3.27Å
133E72.3Confident75.4Confident169 Ų16960.4 Ų60.479%0.7935%0.345SS*.SBendtrans-85.4-41173-67.3176.6178.700110.4
134V74.7Confident72.8Confident86 Ų8662.3 Ų62.352%0.52137%0.365SS..SBendtrans-100.3144-179.5-173.10000111.1I138V134-I138 HydrophobicContact CG1-CB 3.96Å; V134-I138 HydrophobicContact CG1-CD1 3.76Å; V134-I138 HydrophobicContact CG1-CG1 4.35Å; V134-I138 HydrophobicContact CG1-CG2 4.25Å
135A76.2Confident69.9Low9 Ų967.3 Ų67.37%0.07439%0.391CS..  trans-63.5135.917600000111.9F137 I138A135-F137 HydrophobicContact CB-CD1 4.11Å; A135-F137 HydrophobicContact CB-CD2 4.13Å; A135-F137 HydrophobicContact CB-CE1 3.53Å; A135-F137 HydrophobicContact CB-CE2 3.48Å; A135-F137 VanDerWaalsContact CB-CE2 3.48Å; A135-F137 HydrophobicContact CB-CG 4.39Å; A135-F137 HydrophobicContact CB-CZ 3.16Å; A135-F137 PolarHBondContact O-N 2.96Å; A135-I138 PolarHBondContact O-N 3.29Å; A135-I138 VanDerWaalsContact O-N 3.16Å
136P70.4Confident67.1Low32 Ų3270.7 Ų70.721%0.20841%0.414CS..THydrogen-bonded Turntrans-60.5-19.7-174-26.533.9000116.9K132 M377 P383K132-P136 HydrophobicContact CD-CG 4.34Å; P136-M377 HydrophobicContact CB-CG 3.7Å; P136-M377 HydrophobicContact CB-SD 4.36Å; P136-M377 HydrophobicContact CG-CE 4.16Å; P136-M377 HydrophobicContact CG-CG 4.19Å; P136-M377 HydrophobicContact CG-SD 4.46Å; P136-P383 HydrophobicContact CG-CG 3.46Å; P136-P383 VanDerWaalsContact CG-CG 3.46Å
137F70Confident64.3Low7 Ų779.1 Ų79.13%0.03145%0.453CS..THydrogen-bonded Turntrans-81.8-15.6-178.848.3-109000113.4A135 A139 T176 V177 E197 A508A135-F137 HydrophobicContact CB-CD1 4.11Å; A135-F137 HydrophobicContact CB-CD2 4.13Å; A135-F137 HydrophobicContact CB-CE1 3.53Å; A135-F137 HydrophobicContact CB-CE2 3.48Å; A135-F137 VanDerWaalsContact CB-CE2 3.48Å; A135-F137 HydrophobicContact CB-CG 4.39Å; A135-F137 HydrophobicContact CB-CZ 3.16Å; A135-F137 PolarHBondContact O-N 2.96Å; F137-A139 PolarHBondContact O-N 3.39Å; F137-T176 WeakPolarHBondContact O-CB 3.41Å; F137-V177 PolarHBondContact O-N 3.29Å; F137-E197 HydrophobicContact CD1-CG 4.03Å; F137-A508 HydrophobicContact CD2-CB 4.36Å; F137-A508 HydrophobicContact CE2-CB 3.57Å; F137-A508 HydrophobicContact CZ-CB 4.32Å
138I72.3Confident61.5Low73 Ų7388.6 Ų88.637%0.37450%0.497SS..SBendtrans-74.5123.5170.8-62175.2000106.4V134 A135 A140V134-I138 HydrophobicContact CG1-CB 3.96Å; V134-I138 HydrophobicContact CG1-CD1 3.76Å; V134-I138 HydrophobicContact CG1-CG1 4.35Å; V134-I138 HydrophobicContact CG1-CG2 4.25Å; A135-I138 PolarHBondContact O-N 3.29Å; A135-I138 VanDerWaalsContact O-N 3.16Å; I138-A140 PolarHBondContact O-N 2.95Å
139A57.8Low59.5Low31 Ų3197.4 Ų97.426%0.25654%0.535SS..  trans-62.1100.3178.800000108.9F137 S141F137-A139 PolarHBondContact O-N 3.39Å; A139-S141 PolarHBondContact O-N 2.88Å
140A51Low58Low70 Ų70100.6 Ų100.658%0.57956%0.559SS**  trans-72.8116.5177.400000109.3I138 Q142I138-A140 PolarHBondContact O-N 2.95Å; A140-Q142 PolarHBondContact O-N 3.25Å
141S42.9Very low57.1Low97 Ų97100.5 Ų100.568%0.67856%0.561SS**SBendtrans-66.520.9157.433.20000112.9A139A139-S141 PolarHBondContact O-N 2.88Å
142Q41.5Very low56.9Low170 Ų170100.1 Ų100.179%0.79456%0.562SS**  trans-140.474-175.1-63.3-168.45.700111A140A140-Q142 PolarHBondContact O-N 3.25Å
143S35.2Very low57.2Low108 Ų10897.6 Ų97.676%0.75556%0.555SS**  trans-113.3111.1148.5-51.30000105.1D145S143-D145 VanDerWaalsContact C-N 3.25Å; S143-D145 PolarHBondContact O-N 3.49Å
144G38Very low58Low78 Ų7889.9 Ų89.980%0.80452%0.519SS*.SBendtrans-65.990.1172.800000109
145D35.2Very low58.6Low150 Ų15091.7 Ų91.780%0.80252%0.522SS*.SBendtrans165.2125.3140-83-27.3000108.8S143S143-D145 VanDerWaalsContact C-N 3.25Å; S143-D145 PolarHBondContact O-N 3.49Å
146I37.9Very low59.1Low158 Ų15895.9 Ų95.981%0.8154%0.543SS*.SBendtrans88.8104.8169.8-47.4171.5000116.7
147E39.5Very low59.9Low177 Ų17795.2 Ų95.283%0.82754%0.538SS*.  trans68.3120.3160.1-71.1-179.1173.400120.6K149E147-K149 PolarHBondContact O-N 3.42Å
148Q38.4Very low60.7Low210 Ų210102.4 Ų102.498%0.98157%0.571SS**  trans-60.671.9169.1-67.7173.1-25.400111.9
149K54.1Low61.6Low192 Ų19299.6 Ų99.684%0.83556%0.557SS**PPolyproline II helixtrans-91.3118.5163.8-149.3166.4-172.8170.40107.6E147E147-K149 PolarHBondContact O-N 3.42Å
150S60.6Low63.1Low94 Ų9498.9 Ų98.966%0.65755%0.55SS*.PPolyproline II helixtrans-46.4139.1172.249.40000109.6
151P68.6Low65.1Low47 Ų47102.4 Ų102.431%0.30555%0.554SS.*PPolyproline II helixtrans-55.2138-177.924.6-33.7000109.3T153P151-T153 PolarHBondContact O-N 3.48Å
152P78.9Confident67.5Low47 Ų47101.1 Ų101.131%0.30554%0.538SS..PPolyproline II helixtrans-61.1135.2-178.126.9-34.3000109.1P175 L180P152-P175 WeakPolarHBondContact O-CD 3.16Å; P152-L180 HydrophobicContact CB-CD1 4.25Å; P152-L180 HydrophobicContact CB-CD2 3.94Å; P152-L180 HydrophobicContact CG-CD1 3.62Å; P152-L180 HydrophobicContact CG-CD2 4.2Å
153T86.6Confident70.1Confident45 Ų4593 Ų9328%0.27650%0.5SS..  trans-108.2166178.962.60000110.4P151 Q155 N156P151-T153 PolarHBondContact O-N 3.48Å; T153-Q155 PolarHBondContact O-N 3.11Å; T153-N156 PolarHBondContact N-OD1 2.83Å; T153-N156 WeakPolarHBondContact O-CB 3.29Å; T153-N156 PolarHBondContact O-N 3.15Å; T153-N156 VanDerWaalsContact O-N 3.12Å; T153-N156 PolarHBondContact OG1-OD1 2.83Å
154F88.6Confident72.8Confident6 Ų688.4 Ų88.43%0.02647%0.467CS..G310 helixtrans-62.7-27.9173.4-74.4-78000112.9N156 L157 I159 V164 L167 I172 P175 L208F154-N156 PolarHBondContact O-N 3.38Å; F154-L157 HydrophobicContact CD1-CD1 4.04Å; F154-L157 WeakPolarHBondContact O-CB 3.29Å; F154-L157 PolarHBondContact O-N 3.01Å; F154-I159 HydrophobicContact CB-CD1 4.15Å; F154-I159 HydrophobicContact CD1-CD1 4.26Å; F154-V164 HydrophobicContact CB-CG2 4.36Å; F154-L167 HydrophobicContact CB-CD1 4.18Å; F154-L167 HydrophobicContact CD1-CD1 3.57Å; F154-L167 HydrophobicContact CD2-CD1 3.84Å; F154-L167 HydrophobicContact CE1-CD1 3.81Å; F154-L167 HydrophobicContact CE2-CD1 4.06Å; F154-L167 HydrophobicContact CG-CD1 3.58Å; F154-L167 HydrophobicContact CZ-CD1 4.05Å; F154-I172 HydrophobicContact CE2-CG2 3.79Å; F154-I172 HydrophobicContact CZ-CG2 3.91Å; F154-P175 HydrophobicContact CD1-CB 4.17Å; F154-P175 HydrophobicContact CE1-CB 3.74Å; F154-P175 HydrophobicContact CE2-CB 4.3Å; F154-P175 VanDerWaalsContact CZ-CA 3.49Å; F154-P175 HydrophobicContact CZ-CB 3.82Å; F154-L208 HydrophobicContact CD1-CD1 3.99Å; F154-L208 HydrophobicContact CE1-CD1 3.66Å
155Q86.5Confident75.5Confident124 Ų12489.2 Ų89.258%0.57945%0.45SS*.G310 helixtrans-60.1-33.4174-64.5177.11.100111.9T153 L157 H158 V164T153-Q155 PolarHBondContact O-N 3.11Å; Q155-L157 PolarHBondContact O-N 2.8Å; Q155-H158 PolarHBondContact O-N 2.91Å; Q155-V164 HydrophobicContact CG-CG1 3.75Å; Q155-V164 HydrophobicContact CG-CG2 4.36Å
156N86.4Confident78.3Confident97 Ų9782.2 Ų82.252%0.51941%0.412SS..G310 helixtrans-71.6-6.9177.7-55.5124.2000113.8T153 F154T153-N156 PolarHBondContact N-OD1 2.83Å; T153-N156 WeakPolarHBondContact O-CB 3.29Å; T153-N156 PolarHBondContact O-N 3.15Å; T153-N156 VanDerWaalsContact O-N 3.12Å; T153-N156 PolarHBondContact OG1-OD1 2.83Å; F154-N156 PolarHBondContact O-N 3.38Å
157L88.3Confident81Confident18 Ų1874.7 Ų74.79%0.09437%0.374CS..G310 helixtrans-92.52.1178.6-63.6177.1000113.5F154 Q155 I159 P175 L180 I183 P184F154-L157 HydrophobicContact CD1-CD1 4.04Å; F154-L157 WeakPolarHBondContact O-CB 3.29Å; F154-L157 PolarHBondContact O-N 3.01Å; Q155-L157 PolarHBondContact O-N 2.8Å; L157-I159 HydrophobicContact CB-CG2 4.34Å; L157-I159 PolarHBondContact O-N 2.75Å; L157-P175 HydrophobicContact CD1-CB 4.26Å; L157-L180 HydrophobicContact CD1-CD2 4.5Å; L157-L180 HydrophobicContact CD2-CD2 3.99Å; L157-L180 HydrophobicContact CG-CD2 4.49Å; L157-I183 HydrophobicContact CB-CG2 4.43Å; L157-I183 HydrophobicContact CD1-CB 4.45Å; L157-I183 HydrophobicContact CD1-CD1 3.75Å; L157-I183 HydrophobicContact CD1-CG2 4.38Å; L157-P184 HydrophobicContact CD2-CG 4.1Å
158H87.2Confident83.4Confident159 Ų15971.3 Ų71.374%0.73636%0.358SS*.THydrogen-bonded Turntrans53.636-179.2-55.3-72.5000113.2Q155Q155-H158 PolarHBondContact O-N 2.91Å
159I89.9Confident86Confident14 Ų1469.2 Ų69.27%0.07234%0.341CS..  trans-85162.916862.5173.9000109.6F154 L157 L163 V164 L167 I183 L208F154-I159 HydrophobicContact CB-CD1 4.15Å; F154-I159 HydrophobicContact CD1-CD1 4.26Å; L157-I159 HydrophobicContact CB-CG2 4.34Å; L157-I159 PolarHBondContact O-N 2.75Å; I159-L163 HydrophobicContact CD1-CB 4.31Å; I159-V164 HydrophobicContact CD1-CG2 4.05Å; I159-V164 HydrophobicContact CG1-CG2 3.81Å; I159-L167 HydrophobicContact CD1-CD1 4.32Å; I159-I183 HydrophobicContact CG2-CG2 4.29Å; I159-L208 HydrophobicContact CD1-CD1 4.46Å; I159-L208 HydrophobicContact CD1-CD2 4.42Å
160C90.6Very high87.6Confident16 Ų1663.3 Ų63.311%0.10832%0.321CS..  trans-69.7150.2-175.763.20000111.3E162 L163 V164 H212C160-E162 VanDerWaalsContact C-N 3.3Å; C160-E162 WeakPolarHBondContact CB-OE2 3.46Å; C160-E162 PolarHBondContact O-N 3.32Å; C160-L163 WeakPolarHBondContact O-CB 3.48Å; C160-L163 PolarHBondContact O-N 2.83Å; C160-L163 VanDerWaalsContact O-N 3.09Å; C160-L163 VanDerWaalsContact SG-CD1 3.54Å; C160-L163 WeakPolarHBondContact SG-CG 3.32Å; C160-V164 PolarHBondContact O-N 3.02Å; C160-H212 PolarHBondContact N-ND1 2.85Å
161E92.5Very high89Confident143 Ų14367.1 Ų67.167%0.66833%0.328SS*.Hα-helixtrans-60.9-38.9-171.5-172.7166.9-159.700111.9L163 V164 E165E161-L163 PolarHBondContact O-N 2.9Å; E161-V164 WeakPolarHBondContact O-CA 3.23Å; E161-V164 WeakPolarHBondContact O-CB 3.34Å; E161-V164 PolarHBondContact O-N 2.73Å; E161-E165 HydrophobicContact CG-CG 4.49Å; E161-E165 WeakPolarHBondContact O-CG 3.38Å; E161-E165 PolarHBondContact O-N 2.77Å
162E94Very high89.9Confident71 Ų7167.7 Ų67.733%0.33233%0.328SS..Hα-helixtrans-62-30.2179.1-54.289.7156.100112.4C160 T166 P251 L252C160-E162 VanDerWaalsContact C-N 3.3Å; C160-E162 WeakPolarHBondContact CB-OE2 3.46Å; C160-E162 PolarHBondContact O-N 3.32Å; E162-T166 VanDerWaalsContact O-CB 3.31Å; E162-T166 WeakPolarHBondContact O-CB 3.48Å; E162-T166 PolarHBondContact O-N 3.15Å; E162-T166 VanDerWaalsContact O-N 3.1Å; E162-T166 PolarHBondContact O-OG1 3Å; E162-P251 HydrophobicContact CB-CB 4.28Å; E162-P251 HydrophobicContact CB-CG 4.47Å; E162-L252 HydrophobicContact CB-CD2 3.78Å; E162-L252 HydrophobicContact CG-CD2 3.97Å
163L94.4Very high90.1Very high0 Ų069.2 Ų69.20%034%0.337CS..Hα-helixtrans-73.8-39.2173.8-72176.5000111.4I159 C160 E161 T166 L167 L208 V211 H212 L248 L252I159-L163 HydrophobicContact CD1-CB 4.31Å; C160-L163 WeakPolarHBondContact O-CB 3.48Å; C160-L163 PolarHBondContact O-N 2.83Å; C160-L163 VanDerWaalsContact O-N 3.09Å; C160-L163 VanDerWaalsContact SG-CD1 3.54Å; C160-L163 WeakPolarHBondContact SG-CG 3.32Å; E161-L163 PolarHBondContact O-N 2.9Å; L163-T166 PolarHBondContact O-N 2.94Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.3Å; L163-L167 PolarHBondContact O-N 3.27Å; L163-L208 HydrophobicContact CB-CD2 4.44Å; L163-L208 HydrophobicContact CD1-CD2 4.42Å; L163-V211 HydrophobicContact CD1-CB 4.41Å; L163-V211 HydrophobicContact CD1-CG1 4.19Å; L163-V211 HydrophobicContact CD2-CB 4.5Å; L163-V211 HydrophobicContact CD2-CG1 3.8Å; L163-V211 HydrophobicContact CG-CG1 4.48Å; L163-H212 HydrophobicContact CD1-CB 3.98Å; L163-L248 HydrophobicContact CD2-CB 3.95Å; L163-L248 HydrophobicContact CD2-CD2 4.12Å; L163-L252 HydrophobicContact CD2-CD1 4.11Å; L163-L252 HydrophobicContact CG-CD1 4.19Å
164V93.6Very high90.2Very high11 Ų1171.6 Ų71.67%0.06735%0.345CS..Hα-helixtrans-62.4-50176.11800000110.1F154 Q155 I159 C160 E161 T166 L167 E168F154-V164 HydrophobicContact CB-CG2 4.36Å; Q155-V164 HydrophobicContact CG-CG1 3.75Å; Q155-V164 HydrophobicContact CG-CG2 4.36Å; I159-V164 HydrophobicContact CD1-CG2 4.05Å; I159-V164 HydrophobicContact CG1-CG2 3.81Å; C160-V164 PolarHBondContact O-N 3.02Å; E161-V164 WeakPolarHBondContact O-CA 3.23Å; E161-V164 WeakPolarHBondContact O-CB 3.34Å; E161-V164 PolarHBondContact O-N 2.73Å; V164-T166 PolarHBondContact O-N 2.91Å; V164-L167 WeakPolarHBondContact O-CB 3.28Å; V164-L167 PolarHBondContact O-N 2.78Å; V164-L167 VanDerWaalsContact O-N 3.08Å; V164-E168 WeakPolarHBondContact O-CG 3.14Å; V164-E168 PolarHBondContact O-N 2.96Å
165E93.8Very high90.3Very high94 Ų9471.4 Ų71.444%0.43934%0.344SS..Hα-helixtrans-59.1-35.7176.1-68.3-179.3171.100112.3E161 R169E161-E165 HydrophobicContact CG-CG 4.49Å; E161-E165 WeakPolarHBondContact O-CG 3.38Å; E161-E165 PolarHBondContact O-N 2.77Å; E165-R169 VanDerWaalsContact O-CG 3.3Å; E165-R169 WeakPolarHBondContact O-CG 3.39Å; E165-R169 PolarHBondContact O-N 3.33Å; E165-R169 PolarHBondContact O-NE 2.85Å
166T94.7Very high90.4Very high3 Ų366.1 Ų66.12%0.01832%0.32CS..Hα-helixtrans-67.6-41.9176.1-60.60000111.8E162 L163 V164 R169 V170 T247 L248E162-T166 VanDerWaalsContact O-CB 3.31Å; E162-T166 WeakPolarHBondContact O-CB 3.48Å; E162-T166 PolarHBondContact O-N 3.15Å; E162-T166 VanDerWaalsContact O-N 3.1Å; E162-T166 PolarHBondContact O-OG1 3Å; L163-T166 PolarHBondContact O-N 2.94Å; V164-T166 PolarHBondContact O-N 2.91Å; T166-R169 PolarHBondContact O-N 3.38Å; T166-R169 PolarHBondContact OG1-NH2 2.85Å; T166-V170 WeakPolarHBondContact O-CG2 3.32Å; T166-V170 PolarHBondContact O-N 3.03Å; T166-T247 HydrophobicContact CG2-CG2 3.89Å; T166-L248 HydrophobicContact CG2-CD2 4.22Å
167L92.9Very high90.5Very high1 Ų164.2 Ų64.21%0.00531%0.312CS..Hα-helixtrans-63.7-41.7175.8-70.8171.3000111.7F154 I159 L163 V164 R169 V170 E171 I172 L204 L208 L248F154-L167 HydrophobicContact CB-CD1 4.18Å; F154-L167 HydrophobicContact CD1-CD1 3.57Å; F154-L167 HydrophobicContact CD2-CD1 3.84Å; F154-L167 HydrophobicContact CE1-CD1 3.81Å; F154-L167 HydrophobicContact CE2-CD1 4.06Å; F154-L167 HydrophobicContact CG-CD1 3.58Å; F154-L167 HydrophobicContact CZ-CD1 4.05Å; I159-L167 HydrophobicContact CD1-CD1 4.32Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.3Å; L163-L167 PolarHBondContact O-N 3.27Å; V164-L167 WeakPolarHBondContact O-CB 3.28Å; V164-L167 PolarHBondContact O-N 2.78Å; V164-L167 VanDerWaalsContact O-N 3.08Å; L167-R169 PolarHBondContact O-N 2.79Å; L167-V170 CarbonylContact O-C 3.45Å; L167-V170 VanDerWaalsContact O-CG2 3.3Å; L167-V170 WeakPolarHBondContact O-CG2 3.24Å; L167-V170 PolarHBondContact O-N 3.2Å; L167-E171 PolarHBondContact O-N 2.85Å; L167-I172 HydrophobicContact CB-CB 4.46Å; L167-I172 HydrophobicContact CD2-CB 4.19Å; L167-I172 HydrophobicContact CD2-CD1 4.44Å; L167-I172 HydrophobicContact CD2-CG2 4.19Å; L167-I172 PolarHBondContact O-N 2.83Å; L167-L204 HydrophobicContact CD2-CD1 4.03Å; L167-L204 HydrophobicContact CD2-CD2 4.34Å; L167-L208 HydrophobicContact CD1-CD1 3.93Å; L167-L208 HydrophobicContact CD1-CD2 3.88Å; L167-L208 HydrophobicContact CD2-CD2 4.31Å; L167-L208 HydrophobicContact CG-CD2 4.3Å; L167-L248 HydrophobicContact CD2-CD2 4.32Å
168E91.1Very high90.7Very high105 Ų10563.7 Ų63.749%0.49131%0.309SS..Hα-helixtrans-61.5-42.7175.2-71.9177.4-179.200111.9V164 V170 E171V164-E168 WeakPolarHBondContact O-CG 3.14Å; V164-E168 PolarHBondContact O-N 2.96Å; E168-V170 VanDerWaalsContact C-N 3.27Å; E168-V170 PolarHBondContact O-N 3.17Å; E168-E171 PolarHBondContact O-N 3.23Å
169R91.9Very high91Very high167 Ų16756.3 Ų56.363%0.6328%0.275SS*.Hα-helixtrans-63.4-29176-76.1-178.1-67.5170.7-1.5114.1E165 T166 L167 E171E165-R169 VanDerWaalsContact O-CG 3.3Å; E165-R169 WeakPolarHBondContact O-CG 3.39Å; E165-R169 PolarHBondContact O-N 3.33Å; E165-R169 PolarHBondContact O-NE 2.85Å; T166-R169 PolarHBondContact O-N 3.38Å; T166-R169 PolarHBondContact OG1-NH2 2.85Å; L167-R169 PolarHBondContact O-N 2.79Å; R169-E171 VanDerWaalsContact C-N 3.3Å
170V89.5Confident91.1Very high67 Ų6758 Ų5841%0.40628%0.284SS..THydrogen-bonded Turntrans-94.915.7173.8-57.90000112.7T166 L167 E168 I172 T247T166-V170 WeakPolarHBondContact O-CG2 3.32Å; T166-V170 PolarHBondContact O-N 3.03Å; L167-V170 CarbonylContact O-C 3.45Å; L167-V170 VanDerWaalsContact O-CG2 3.3Å; L167-V170 WeakPolarHBondContact O-CG2 3.24Å; L167-V170 PolarHBondContact O-N 3.2Å; E168-V170 VanDerWaalsContact C-N 3.27Å; E168-V170 PolarHBondContact O-N 3.17Å; V170-I172 HydrophobicContact CG2-CB 4.28Å; V170-I172 HydrophobicContact CG2-CD1 3.83Å; V170-I172 HydrophobicContact CG2-CG1 3.91Å; V170-I172 PolarHBondContact O-N 3.39Å; V170-T247 HydrophobicContact CG1-CG2 3.99Å
171E89.1Confident91.2Very high174 Ų17460.9 Ų60.981%0.81330%0.296SS*.THydrogen-bonded Turntrans62.423.1175.7-53.2-177.3146.400114.3L167 E168 R169 T173L167-E171 PolarHBondContact O-N 2.85Å; E168-E171 PolarHBondContact O-N 3.23Å; R169-E171 VanDerWaalsContact C-N 3.3Å; E171-T173 PolarHBondContact O-N 2.99Å
172I88.3Confident91.4Very high60 Ų6054 Ų5431%0.30826%0.264SS..  trans-96.787174.7-59.2177000108.4F154 L167 V170 L204F154-I172 HydrophobicContact CE2-CG2 3.79Å; F154-I172 HydrophobicContact CZ-CG2 3.91Å; L167-I172 HydrophobicContact CB-CB 4.46Å; L167-I172 HydrophobicContact CD2-CB 4.19Å; L167-I172 HydrophobicContact CD2-CD1 4.44Å; L167-I172 HydrophobicContact CD2-CG2 4.19Å; L167-I172 PolarHBondContact O-N 2.83Å; V170-I172 HydrophobicContact CG2-CB 4.28Å; V170-I172 HydrophobicContact CG2-CD1 3.83Å; V170-I172 HydrophobicContact CG2-CG1 3.91Å; V170-I172 PolarHBondContact O-N 3.39Å; I172-L204 HydrophobicContact CD1-CD1 3.74Å; I172-L204 HydrophobicContact CG2-CD1 4.14Å
173T83Confident91.5Very high79 Ų7950.7 Ų50.749%0.48525%0.248SC..  trans-89.8-26.7-170.6500000114E171E171-T173 PolarHBondContact O-N 2.99Å
174H87.4Confident91.5Very high95 Ų9552.8 Ų52.844%0.4426%0.262SS..SBendtrans-128.7134.4-173.5-61.581.4000112
175P90.8Very high91.6Very high2 Ų254.6 Ų54.61%0.01327%0.269CS..  trans-70.9143.7174.830.2-35.6000111.9P152 F154 L157 Q179 L180P152-P175 WeakPolarHBondContact O-CD 3.16Å; F154-P175 HydrophobicContact CD1-CB 4.17Å; F154-P175 HydrophobicContact CE1-CB 3.74Å; F154-P175 HydrophobicContact CE2-CB 4.3Å; F154-P175 VanDerWaalsContact CZ-CA 3.49Å; F154-P175 HydrophobicContact CZ-CB 3.82Å; L157-P175 HydrophobicContact CD1-CB 4.26Å; P175-Q179 VanDerWaalsContact CA-OE1 3.22Å; P175-Q179 HydrophobicContact CB-CB 4.17Å; P175-L180 HydrophobicContact CB-CD2 3.9Å; P175-L180 HydrophobicContact CB-CG 4.03Å; P175-L180 HydrophobicContact CG-CD1 4.47Å; P175-L180 HydrophobicContact CG-CD2 3.46Å; P175-L180 VanDerWaalsContact CG-CD2 3.46Å; P175-L180 HydrophobicContact CG-CG 3.94Å
176T89.6Confident91.8Very high13 Ų1350.1 Ų50.18%0.0825%0.248CC..  trans-75.5163.317268.60000111.4F137 V178 Q179 L180 S200F137-T176 WeakPolarHBondContact O-CB 3.41Å; T176-V178 PolarHBondContact O-N 3.08Å; T176-V178 VanDerWaalsContact OG1-CG1 3.31Å; T176-V178 WeakPolarHBondContact OG1-CG1 3.3Å; T176-Q179 WeakPolarHBondContact O-CB 3.38Å; T176-Q179 PolarHBondContact O-N 3.24Å; T176-Q179 VanDerWaalsContact OG1-CD 3.25Å; T176-Q179 VanDerWaalsContact OG1-CG 3.25Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.33Å; T176-Q179 PolarHBondContact OG1-N 3.38Å; T176-L180 WeakPolarHBondContact O-CG 3.35Å; T176-L180 PolarHBondContact O-N 2.9Å; T176-S200 VanDerWaalsContact CB-O 3.29Å; T176-S200 WeakPolarHBondContact CB-O 3.41Å; T176-S200 WeakPolarHBondContact CG2-O 3.47Å; T176-S200 PolarHBondContact OG1-O 3.19Å
177V89Confident91.8Very high56 Ų5651.7 Ų51.734%0.33926%0.255SS..Hα-helixtrans-55.6-40.5179.1177.60000111.9F137 Q181F137-V177 PolarHBondContact O-N 3.29Å; V177-Q181 WeakPolarHBondContact O-CG 3.33Å; V177-Q181 PolarHBondContact O-N 3.24Å
178V90.8Very high91.8Very high7 Ų757.6 Ų57.64%0.04228%0.278CS..Hα-helixtrans-69.8-35.8178.365.50000111.9T176 Q181 T182 C194 A196 S200T176-V178 PolarHBondContact O-N 3.08Å; T176-V178 VanDerWaalsContact OG1-CG1 3.31Å; T176-V178 WeakPolarHBondContact OG1-CG1 3.3Å; V178-Q181 PolarHBondContact O-N 2.93Å; V178-T182 VanDerWaalsContact O-CB 3.22Å; V178-T182 WeakPolarHBondContact O-CB 3.47Å; V178-T182 PolarHBondContact O-N 3.14Å; V178-T182 PolarHBondContact O-OG1 2.58Å; V178-T182 VanDerWaalsContact O-OG1 3.06Å; V178-C194 WeakPolarHBondContact CG2-SG 3.34Å; V178-A196 HydrophobicContact CB-CB 4.15Å; V178-A196 HydrophobicContact CG2-CB 3.75Å; V178-S200 WeakPolarHBondContact CG1-O 3.5Å
179Q94Very high92Very high4 Ų452.6 Ų52.62%0.01925%0.254CS..Hα-helixtrans-64.3-45.9176.3-71.3164.63.700110.8P175 T176 Q181 T182 I183 G201 S205P175-Q179 VanDerWaalsContact CA-OE1 3.22Å; P175-Q179 HydrophobicContact CB-CB 4.17Å; T176-Q179 WeakPolarHBondContact O-CB 3.38Å; T176-Q179 PolarHBondContact O-N 3.24Å; T176-Q179 VanDerWaalsContact OG1-CD 3.25Å; T176-Q179 VanDerWaalsContact OG1-CG 3.25Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.33Å; T176-Q179 PolarHBondContact OG1-N 3.38Å; Q179-Q181 PolarHBondContact O-N 3.07Å; Q179-T182 PolarHBondContact O-N 3.48Å; Q179-I183 HydrophobicContact CB-CD1 3.86Å; Q179-I183 HydrophobicContact CG-CD1 4.42Å; Q179-I183 VanDerWaalsContact O-CB 3.31Å; Q179-I183 WeakPolarHBondContact O-CB 3.37Å; Q179-I183 VanDerWaalsContact O-CG1 3.23Å; Q179-I183 WeakPolarHBondContact O-CG1 3.44Å; Q179-I183 PolarHBondContact O-N 2.89Å; Q179-G201 PolarHBondContact NE2-O 3.13Å; Q179-S205 WeakPolarHBondContact CG-OG 3.49Å
180L92.9Very high92.2Very high49 Ų4946.8 Ų46.826%0.25723%0.234SC..Hα-helixtrans-58.1-35.7176.1-69.4173.7000113.1P152 L157 P175 T176 P184P152-L180 HydrophobicContact CB-CD1 4.25Å; P152-L180 HydrophobicContact CB-CD2 3.94Å; P152-L180 HydrophobicContact CG-CD1 3.62Å; P152-L180 HydrophobicContact CG-CD2 4.2Å; L157-L180 HydrophobicContact CD1-CD2 4.5Å; L157-L180 HydrophobicContact CD2-CD2 3.99Å; L157-L180 HydrophobicContact CG-CD2 4.49Å; P175-L180 HydrophobicContact CB-CD2 3.9Å; P175-L180 HydrophobicContact CB-CG 4.03Å; P175-L180 HydrophobicContact CG-CD1 4.47Å; P175-L180 HydrophobicContact CG-CD2 3.46Å; P175-L180 VanDerWaalsContact CG-CD2 3.46Å; P175-L180 HydrophobicContact CG-CG 3.94Å; T176-L180 WeakPolarHBondContact O-CG 3.35Å; T176-L180 PolarHBondContact O-N 2.9Å; L180-P184 VanDerWaalsContact O-CD 3.23Å; L180-P184 WeakPolarHBondContact O-CD 3.14Å; L180-P184 WeakPolarHBondContact O-CG 3.45Å
181Q92.7Very high92.5Very high77 Ų7744 Ų4436%0.3622%0.217SC..Hα-helixtrans-83.2-36.9-178.7-70.4179.4-14.500113.1V177 V178 Q179 K185 V373V177-Q181 WeakPolarHBondContact O-CG 3.33Å; V177-Q181 PolarHBondContact O-N 3.24Å; V178-Q181 PolarHBondContact O-N 2.93Å; Q179-Q181 PolarHBondContact O-N 3.07Å; Q181-K185 VanDerWaalsContact O-CD 3.29Å; Q181-K185 WeakPolarHBondContact O-CD 3.23Å; Q181-V373 HydrophobicContact CB-CG1 3.76Å
182T95.6Very high92.8Very high0 Ų035.7 Ų35.70%018%0.178CC..Hα-helixtrans-85.8-47.4-172.1-64.20000111.9V178 Q179 K185 V186 I192 C194V178-T182 VanDerWaalsContact O-CB 3.22Å; V178-T182 WeakPolarHBondContact O-CB 3.47Å; V178-T182 PolarHBondContact O-N 3.14Å; V178-T182 PolarHBondContact O-OG1 2.58Å; V178-T182 VanDerWaalsContact O-OG1 3.06Å; Q179-T182 PolarHBondContact O-N 3.48Å; T182-K185 PolarHBondContact O-N 3.11Å; T182-V186 HydrophobicContact CG2-CG2 3.8Å; T182-V186 WeakPolarHBondContact O-CG2 3.45Å; T182-V186 PolarHBondContact O-N 2.8Å; T182-I192 HydrophobicContact CG2-CG2 4.34Å; T182-C194 PolarHBondContact OG1-SG 3.23Å
183I96.3Very high93.1Very high0 Ų033 Ų330%017%0.165CC..Hα-helixtrans-54.7-49.9-171.9-66.5170.4000111.8L157 I159 Q179 K185 V186 M187 S205 L208 P209L157-I183 HydrophobicContact CB-CG2 4.43Å; L157-I183 HydrophobicContact CD1-CB 4.45Å; L157-I183 HydrophobicContact CD1-CD1 3.75Å; L157-I183 HydrophobicContact CD1-CG2 4.38Å; I159-I183 HydrophobicContact CG2-CG2 4.29Å; Q179-I183 HydrophobicContact CB-CD1 3.86Å; Q179-I183 HydrophobicContact CG-CD1 4.42Å; Q179-I183 VanDerWaalsContact O-CB 3.31Å; Q179-I183 WeakPolarHBondContact O-CB 3.37Å; Q179-I183 VanDerWaalsContact O-CG1 3.23Å; Q179-I183 WeakPolarHBondContact O-CG1 3.44Å; Q179-I183 PolarHBondContact O-N 2.89Å; I183-K185 VanDerWaalsContact C-N 3.25Å; I183-K185 PolarHBondContact O-N 2.93Å; I183-V186 PolarHBondContact O-N 3Å; I183-M187 HydrophobicContact CG2-CG 4.29Å; I183-M187 VanDerWaalsContact O-CG 3.27Å; I183-M187 WeakPolarHBondContact O-CG 3.37Å; I183-M187 PolarHBondContact O-N 3.46Å; I183-S205 WeakPolarHBondContact CG1-O 3.3Å; I183-L208 HydrophobicContact CD1-CB 4.39Å; I183-L208 HydrophobicContact CD1-CD1 3.95Å; I183-P209 HydrophobicContact CG1-CG 4.35Å; I183-P209 HydrophobicContact CG2-CB 4.26Å; I183-P209 HydrophobicContact CG2-CG 4.37Å
184P95.4Very high93.7Very high44 Ų4429.3 Ų29.329%0.28614%0.142SC..Hα-helixtrans-63.9-27.3180-23.735.6000114.3L157 L180 R188L157-P184 HydrophobicContact CD2-CG 4.1Å; L180-P184 VanDerWaalsContact O-CD 3.23Å; L180-P184 WeakPolarHBondContact O-CD 3.14Å; L180-P184 WeakPolarHBondContact O-CG 3.45Å; P184-R188 WeakPolarHBondContact O-CG 3.38Å; P184-R188 PolarHBondContact O-N 3.23Å; P184-R188 PolarHBondContact O-NE 3.4Å
185K95.9Very high93.9Very high50 Ų5024.8 Ų24.822%0.21712%0.121CC..Hα-helixtrans-77.6-39.6178.1-64.2172.1177170.80111Q181 T182 I183 R188 H190 I192 V371 V373Q181-K185 VanDerWaalsContact O-CD 3.29Å; Q181-K185 WeakPolarHBondContact O-CD 3.23Å; T182-K185 PolarHBondContact O-N 3.11Å; I183-K185 VanDerWaalsContact C-N 3.25Å; I183-K185 PolarHBondContact O-N 2.93Å; K185-R188 PolarHBondContact O-N 3.49Å; K185-H190 PolarHBondContact O-CD2 2.87Å; K185-H190 PolarHBondContact O-N 2.74Å; K185-I192 HydrophobicContact CB-CD1 3.61Å; K185-V371 HydrophobicContact CD-CG1 3.81Å; K185-V373 HydrophobicContact CD-CG2 3.71Å
186V96.5Very high93.9Very high0 Ų024.7 Ų24.70%012%0.12CC..Hα-helixtrans-62.1-46173.1-178.90000110.1T182 I183 R188 G189 I192 P209 Q345 L347T182-V186 HydrophobicContact CG2-CG2 3.8Å; T182-V186 WeakPolarHBondContact O-CG2 3.45Å; T182-V186 PolarHBondContact O-N 2.8Å; I183-V186 PolarHBondContact O-N 3Å; V186-R188 PolarHBondContact O-N 3.43Å; V186-G189 PolarHBondContact O-N 3.43Å; V186-I192 HydrophobicContact CG2-CG1 3.79Å; V186-P209 HydrophobicContact CB-CB 3.89Å; V186-P209 HydrophobicContact CB-CG 3.74Å; V186-P209 HydrophobicContact CG1-CB 3.68Å; V186-P209 HydrophobicContact CG1-CG 3.62Å; V186-P209 HydrophobicContact CG2-CG 4.24Å; V186-Q345 PolarHBondContact O-NE2 2.91Å; V186-Q345 PolarHBondContact O-OE1 3.09Å; V186-L347 HydrophobicContact CG1-CD1 3.79Å; V186-L347 HydrophobicContact CG1-CD2 4.13Å; V186-L347 HydrophobicContact CG2-CD1 4.22Å; V186-L347 HydrophobicContact CG2-CD2 3.89Å
187M94.4Very high93.7Very high35 Ų3525.1 Ų25.117%0.17212%0.121CC..Hα-helixtrans-56.8-33.6177.1-72.9-61.9-73.400113.2I183 G189 P209 H212 R213 R338I183-M187 HydrophobicContact CG2-CG 4.29Å; I183-M187 VanDerWaalsContact O-CG 3.27Å; I183-M187 WeakPolarHBondContact O-CG 3.37Å; I183-M187 PolarHBondContact O-N 3.46Å; M187-G189 VanDerWaalsContact C-N 3.26Å; M187-G189 PolarHBondContact O-N 3.14Å; M187-P209 HydrophobicContact CG-CB 3.86Å; M187-P209 HydrophobicContact SD-CB 3.66Å; M187-H212 WeakPolarHBondContact CE-CD2 3.19Å; M187-H212 WeakPolarHBondContact CE-NE2 3.49Å; M187-R213 HydrophobicContact SD-CG 4.08Å; M187-R338 PolarHBondContact O-NH2 3.5Å
188R94.3Very high93.4Very high126 Ų12623 Ų2348%0.47511%0.108SC..THydrogen-bonded Turntrans-77.2-3.1176.2-79.6-179.3-80.2133.9-18.3114.9P184 K185 V186 H190P184-R188 WeakPolarHBondContact O-CG 3.38Å; P184-R188 PolarHBondContact O-N 3.23Å; P184-R188 PolarHBondContact O-NE 3.4Å; K185-R188 PolarHBondContact O-N 3.49Å; V186-R188 PolarHBondContact O-N 3.43Å; R188-H190 PolarHBondContact NH1-NE2 3.02Å; R188-H190 VanDerWaalsContact NH1-NE2 3.18Å
189G94.9Very high92.7Very high0 Ų023 Ų230%011%0.11CC..THydrogen-bonded Turntrans87.67.117800000114.7V186 M187 P334 T337 Q345V186-G189 PolarHBondContact O-N 3.43Å; M187-G189 VanDerWaalsContact C-N 3.26Å; M187-G189 PolarHBondContact O-N 3.14Å; G189-P334 WeakPolarHBondContact O-CA 3.46Å; G189-T337 WeakPolarHBondContact CA-OG1 3.41Å; G189-T337 WeakPolarHBondContact O-CG2 3.31Å; G189-Q345 VanDerWaalsContact C-NE2 3.29Å
190H95.6Very high92.2Very high45 Ų4522.9 Ų22.921%0.20811%0.11CC..  trans-70.6138.4178.6-64.9-72.6000111.8K185 R188 I192 P334 Q345 V371K185-H190 PolarHBondContact O-CD2 2.87Å; K185-H190 PolarHBondContact O-N 2.74Å; R188-H190 PolarHBondContact NH1-NE2 3.02Å; R188-H190 VanDerWaalsContact NH1-NE2 3.18Å; H190-I192 HydrophobicContact CB-CD1 3.86Å; H190-I192 WeakPolarHBondContact O-CG1 3.4Å; H190-P334 WeakPolarHBondContact ND1-CG 3.42Å; H190-Q345 PolarHBondContact O-NE2 3.33Å; H190-V371 HydrophobicContact CB-CB 4.35Å; H190-V371 HydrophobicContact CB-CG2 3.84Å
191N96Very high91.9Very high7 Ų721.8 Ų21.84%0.03711%0.11CC..  trans-64.3136.1161.1-66.8-23.5000109A331 L346 I370 V371N191-A331 PolarHBondContact ND2-O 3.44Å; N191-L346 CarbonylContact C-O 3.53Å; N191-L346 VanDerWaalsContact CA-O 3.22Å; N191-L346 WeakPolarHBondContact CA-O 3.27Å; N191-L346 HydrophobicContact CB-CB 4.46Å; N191-L346 PolarHBondContact OD1-N 3.4Å; N191-I370 HydrophobicContact CB-CG1 4.31Å; N191-V371 PolarHBondContact O-N 3.32Å
192I95.8Very high91.9Very high1 Ų118.8 Ų18.81%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-121.1136.5-172.4-55.8-57.6000110.6T182 K185 V186 H190 C194 L346 L347 L348 V371 V373T182-I192 HydrophobicContact CG2-CG2 4.34Å; K185-I192 HydrophobicContact CB-CD1 3.61Å; V186-I192 HydrophobicContact CG2-CG1 3.79Å; H190-I192 HydrophobicContact CB-CD1 3.86Å; H190-I192 WeakPolarHBondContact O-CG1 3.4Å; I192-C194 HydrophobicContact CG2-CB 3.98Å; I192-L346 PolarHBondContact N-O 3.25Å; I192-L347 HydrophobicContact CB-CD2 3.81Å; I192-L347 HydrophobicContact CG1-CD2 3.66Å; I192-L348 PolarHBondContact O-N 3.21Å; I192-V371 WeakPolarHBondContact CA-O 3.31Å; I192-V371 HydrophobicContact CD1-CB 4.04Å; I192-V371 HydrophobicContact CD1-CG1 4.49Å; I192-V373 HydrophobicContact CG2-CG2 4.09Å
193L94.8Very high91.8Very high4 Ų420.8 Ų20.82%0.02111%0.108CC..EExtended strand (participates in β ladder)trans-110.5110.9154.3-171.6161.3000108.2A195 L348 F353 V357 I370 V371 T372 V373 I549L193-A195 HydrophobicContact CD2-CB 4.18Å; L193-L348 CarbonylContact C-O 3.53Å; L193-L348 WeakPolarHBondContact CA-O 3.26Å; L193-L348 HydrophobicContact CG-CB 4.38Å; L193-F353 HydrophobicContact CD1-CD1 4.5Å; L193-F353 HydrophobicContact CD1-CE1 4.44Å; L193-F353 HydrophobicContact CD2-CD1 3.9Å; L193-F353 HydrophobicContact CD2-CE1 3.48Å; L193-F353 VanDerWaalsContact CD2-CE1 3.48Å; L193-F353 HydrophobicContact CD2-CZ 4.07Å; L193-V357 HydrophobicContact CD1-CG1 4.26Å; L193-I370 HydrophobicContact CB-CG2 3.87Å; L193-V371 PolarHBondContact N-O 3.11Å; L193-T372 HydrophobicContact CD2-CG2 4.42Å; L193-T372 CarbonylContact O-C 3.49Å; L193-T372 WeakPolarHBondContact O-CA 3.39Å; L193-V373 PolarHBondContact O-N 3.18Å; L193-I549 HydrophobicContact CD1-CD1 3.64Å; L193-I549 HydrophobicContact CD1-CG1 3.66Å
194C94.5Very high91.7Very high0 Ų021.6 Ų21.60%011%0.112CC..EExtended strand (participates in β ladder)trans-107.1112.4178.8-171.90000110.1V178 T182 I192 L348 I349 G350 V373V178-C194 WeakPolarHBondContact CG2-SG 3.34Å; T182-C194 PolarHBondContact OG1-SG 3.23Å; I192-C194 HydrophobicContact CG2-CB 3.98Å; C194-L348 PolarHBondContact N-O 3.41Å; C194-I349 HydrophobicContact CB-CD1 3.62Å; C194-G350 PolarHBondContact O-N 3.34Å; C194-V373 CarbonylContact C-O 3.48Å; C194-V373 WeakPolarHBondContact CA-O 3.22Å
195A92.5Very high91.7Very high0 Ų019.5 Ų19.50%010%0.099CC..EExtended strand (participates in β ladder)trans-112109174.100000109.5L193 F353 V373 K374 S375 L378L193-A195 HydrophobicContact CD2-CB 4.18Å; A195-F353 HydrophobicContact CB-CD2 3.71Å; A195-F353 HydrophobicContact CB-CE1 4.47Å; A195-F353 HydrophobicContact CB-CE2 3.48Å; A195-F353 VanDerWaalsContact CB-CE2 3.48Å; A195-F353 HydrophobicContact CB-CG 4.28Å; A195-F353 HydrophobicContact CB-CZ 3.9Å; A195-V373 PolarHBondContact N-O 3.38Å; A195-K374 WeakPolarHBondContact O-CA 3.31Å; A195-S375 PolarHBondContact O-N 3.23Å; A195-L378 HydrophobicContact CB-CD1 4.16Å; A195-L378 HydrophobicContact CB-CD2 3.6Å
196A89.7Confident91.7Very high0 Ų017.1 Ų17.10%09%0.088CC..  trans-146.9146.6-179.100000110.8V178 K202 G350 A351V178-A196 HydrophobicContact CB-CB 4.15Å; V178-A196 HydrophobicContact CG2-CB 3.75Å; A196-K202 HydrophobicContact CB-CD 4.29Å; A196-K202 HydrophobicContact CB-CG 4.33Å; A196-K202 WeakPolarHBondContact O-CD 3.42Å; A196-K202 PolarHBondContact O-NZ 2.9Å; A196-G350 PolarHBondContact N-O 2.96Å; A196-G350 VanDerWaalsContact O-O 3.13Å; A196-A351 VanDerWaalsContact O-CA 3.29Å; A196-A351 WeakPolarHBondContact O-CA 3.32Å
197E85.9Confident91.8Very high23 Ų2317.2 Ų17.211%0.1079%0.088CC..  trans-55.3156.2-175.164.3-85.5-161.900113.4F137 S200 K202 S375F137-E197 HydrophobicContact CD1-CG 4.03Å; E197-S200 VanDerWaalsContact O-CB 3.29Å; E197-S200 WeakPolarHBondContact O-CB 3.33Å; E197-S200 PolarHBondContact O-N 3.07Å; E197-S200 PolarHBondContact O-OG 3.05Å; E197-K202 PolarHBondContact O-NZ 2.9Å; E197-K202 VanDerWaalsContact O-NZ 3.1Å; E197-S375 WeakPolarHBondContact OE2-CB 3.33Å; E197-S375 PolarHBondContact OE2-OG 3.21Å
198T82.3Confident91.9Very high11 Ų1115.5 Ų15.57%0.0678%0.08CC..THydrogen-bonded Turntrans-59.7138.6174.7-62.10000110.7S200 G503T198-S200 VanDerWaalsContact C-N 3.34Å; T198-G503 VanDerWaalsContact CG2-O 3.28Å; T198-G503 WeakPolarHBondContact CG2-O 2.96Å
199G77.5Confident92Very high8 Ų89.5 Ų9.58%0.0826%0.058CC..THydrogen-bonded Turntrans85.3-4.6-177.100000115.5G201G199-G201 PolarHBondContact O-N 3.03Å; G199-G201 VanDerWaalsContact O-N 3.13Å
200S82.9Confident92.1Very high1 Ų19.6 Ų9.61%0.0076%0.058CC..SBendtrans-722.3178.559.50000115.6T176 V178 E197 T198 K202T176-S200 VanDerWaalsContact CB-O 3.29Å; T176-S200 WeakPolarHBondContact CB-O 3.41Å; T176-S200 WeakPolarHBondContact CG2-O 3.47Å; T176-S200 PolarHBondContact OG1-O 3.19Å; V178-S200 WeakPolarHBondContact CG1-O 3.5Å; E197-S200 VanDerWaalsContact O-CB 3.29Å; E197-S200 WeakPolarHBondContact O-CB 3.33Å; E197-S200 PolarHBondContact O-N 3.07Å; E197-S200 PolarHBondContact O-OG 3.05Å; T198-S200 VanDerWaalsContact C-N 3.34Å; S200-K202 WeakPolarHBondContact OG-CG 3.15Å
201G86.8Confident92.1Very high25 Ų257.5 Ų7.526%0.2585%0.048SC..  trans81.326178.900000115Q179 G199 T203 L204 S205Q179-G201 PolarHBondContact NE2-O 3.13Å; G199-G201 PolarHBondContact O-N 3.03Å; G199-G201 VanDerWaalsContact O-N 3.13Å; G201-T203 VanDerWaalsContact C-N 3.26Å; G201-T203 PolarHBondContact O-N 2.81Å; G201-L204 PolarHBondContact O-N 3.05Å; G201-S205 PolarHBondContact O-N 2.99Å; G201-S205 PolarHBondContact O-OG 2.94Å
202K91.8Very high92.1Very high15 Ų158.8 Ų8.87%0.0655%0.054CC..Hα-helixtrans-50.9-38.6-178.6-65.4-166.8-71.6-86.70114.7A196 E197 S200 L204 S205 Y206 I349 G350A196-K202 HydrophobicContact CB-CD 4.29Å; A196-K202 HydrophobicContact CB-CG 4.33Å; A196-K202 WeakPolarHBondContact O-CD 3.42Å; A196-K202 PolarHBondContact O-NZ 2.9Å; E197-K202 PolarHBondContact O-NZ 2.9Å; E197-K202 VanDerWaalsContact O-NZ 3.1Å; S200-K202 WeakPolarHBondContact OG-CG 3.15Å; K202-L204 PolarHBondContact O-N 3.49Å; K202-S205 WeakPolarHBondContact O-CB 3.13Å; K202-S205 PolarHBondContact O-N 3.19Å; K202-Y206 VanDerWaalsContact O-CD1 3.28Å; K202-Y206 WeakPolarHBondContact O-CD1 3.42Å; K202-I349 HydrophobicContact CB-CG2 3.68Å; K202-I349 HydrophobicContact CD-CG2 3.77Å; K202-I349 HydrophobicContact CG-CG2 4.2Å; K202-G350 WeakPolarHBondContact CD-O 3.5Å
203T94Very high91.9Very high41 Ų419.6 Ų9.625%0.2526%0.057SC..Hα-helixtrans-58.1-45.2-178.4-51.80000112.4G201 S205 Y206 L207 V241 V244G201-T203 VanDerWaalsContact C-N 3.26Å; G201-T203 PolarHBondContact O-N 2.81Å; T203-S205 VanDerWaalsContact C-N 3.31Å; T203-S205 PolarHBondContact O-N 2.8Å; T203-Y206 VanDerWaalsContact CA-CE1 3.5Å; T203-Y206 HydrophobicContact CG2-CE1 4.49Å; T203-L207 HydrophobicContact CG2-CD1 3.68Å; T203-L207 HydrophobicContact CG2-CG 4.31Å; T203-L207 WeakPolarHBondContact O-CB 3.48Å; T203-L207 WeakPolarHBondContact O-CG 3.36Å; T203-L207 PolarHBondContact O-N 3.42Å; T203-V241 HydrophobicContact CG2-CG2 4.34Å; T203-V244 HydrophobicContact CG2-CG1 4.39Å
204L94.9Very high91.8Very high18 Ų189.4 Ų9.49%0.0946%0.056CC..Hα-helixtrans-72.3-26.2176.8-66.6178.4000112.6L167 I172 G201 K202 Y206 L208 V244 L248L167-L204 HydrophobicContact CD2-CD1 4.03Å; L167-L204 HydrophobicContact CD2-CD2 4.34Å; I172-L204 HydrophobicContact CD1-CD1 3.74Å; I172-L204 HydrophobicContact CG2-CD1 4.14Å; G201-L204 PolarHBondContact O-N 3.05Å; K202-L204 PolarHBondContact O-N 3.49Å; L204-Y206 PolarHBondContact O-N 2.87Å; L204-L208 HydrophobicContact CB-CD1 4.07Å; L204-L208 HydrophobicContact CB-CG 4.31Å; L204-L208 HydrophobicContact CD2-CG 4.41Å; L204-L208 WeakPolarHBondContact O-CB 2.86Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.3Å; L204-V244 HydrophobicContact CD2-CG1 3.87Å; L204-L248 HydrophobicContact CD2-CD1 3.9Å
205S95.1Very high91.6Very high0 Ų012.3 Ų12.30%07%0.07CC..Hα-helixtrans-60.2-29.6177.6-53.20000113.2Q179 I183 G201 K202 T203 P209Q179-S205 WeakPolarHBondContact CG-OG 3.49Å; I183-S205 WeakPolarHBondContact CG1-O 3.3Å; G201-S205 PolarHBondContact O-N 2.99Å; G201-S205 PolarHBondContact O-OG 2.94Å; K202-S205 WeakPolarHBondContact O-CB 3.13Å; K202-S205 PolarHBondContact O-N 3.19Å; T203-S205 VanDerWaalsContact C-N 3.31Å; T203-S205 PolarHBondContact O-N 2.8Å; S205-P209 WeakPolarHBondContact O-CG 3.21Å
206Y96.5Very high91.2Very high0 Ų014.8 Ų14.80%09%0.09CC..Hα-helixtrans-104.1-37.5174.869.1-102.5000113.1K202 T203 L204 L208 P209 V210 V230 V241 V305 D307 I349K202-Y206 VanDerWaalsContact O-CD1 3.28Å; K202-Y206 WeakPolarHBondContact O-CD1 3.42Å; T203-Y206 VanDerWaalsContact CA-CE1 3.5Å; T203-Y206 HydrophobicContact CG2-CE1 4.49Å; L204-Y206 PolarHBondContact O-N 2.87Å; Y206-L208 PolarHBondContact O-N 3.23Å; Y206-P209 WeakPolarHBondContact O-CD 3.41Å; Y206-P209 WeakPolarHBondContact O-CG 3.47Å; Y206-V210 WeakPolarHBondContact O-CB 3.5Å; Y206-V210 WeakPolarHBondContact O-CG2 3.4Å; Y206-V210 PolarHBondContact O-N 2.96Å; Y206-V210 VanDerWaalsContact O-N 3.17Å; Y206-V230 HydrophobicContact CE2-CG1 4.04Å; Y206-V230 HydrophobicContact CE2-CG2 4.1Å; Y206-V241 WeakPolarHBondContact OH-CG1 3.5Å; Y206-V305 HydrophobicContact CD1-CG1 4.08Å; Y206-V305 HydrophobicContact CD2-CB 4.36Å; Y206-V305 HydrophobicContact CD2-CG1 3.77Å; Y206-V305 HydrophobicContact CD2-CG2 3.95Å; Y206-V305 HydrophobicContact CE1-CG1 4.16Å; Y206-V305 HydrophobicContact CE2-CG1 3.91Å; Y206-V305 HydrophobicContact CE2-CG2 4.47Å; Y206-V305 HydrophobicContact CG-CG1 3.86Å; Y206-V305 HydrophobicContact CG-CG2 4.49Å; Y206-D307 HydrophobicContact CE1-CB 4.43Å; Y206-D307 WeakPolarHBondContact CE1-OD2 3.42Å; Y206-D307 PolarHBondContact OH-OD2 3.36Å; Y206-I349 HydrophobicContact CD1-CB 4.48Å; Y206-I349 HydrophobicContact CD1-CD1 4.32Å; Y206-I349 HydrophobicContact CD1-CG1 3.77Å; Y206-I349 HydrophobicContact CD1-CG2 4.3Å; Y206-I349 HydrophobicContact CE1-CG1 4.35Å; Y206-I349 HydrophobicContact CE1-CG2 4.45Å; Y206-I349 HydrophobicContact CG-CG1 4.43Å
207L97.6Very high90.4Very high1 Ų118.4 Ų18.41%0.00511%0.11CC..Hα-helixtrans-65.4-41.6-176.7-76.2-178.5000112.6T203 V210 V211 V244 L248T203-L207 HydrophobicContact CG2-CD1 3.68Å; T203-L207 HydrophobicContact CG2-CG 4.31Å; T203-L207 WeakPolarHBondContact O-CB 3.48Å; T203-L207 WeakPolarHBondContact O-CG 3.36Å; T203-L207 PolarHBondContact O-N 3.42Å; L207-V210 PolarHBondContact O-N 3.24Å; L207-V211 WeakPolarHBondContact O-CB 3.45Å; L207-V211 WeakPolarHBondContact O-CG2 3.16Å; L207-V211 PolarHBondContact O-N 2.83Å; L207-V244 HydrophobicContact CD1-CB 4.14Å; L207-V244 HydrophobicContact CD1-CG1 3.75Å; L207-L248 HydrophobicContact CB-CD1 3.81Å; L207-L248 HydrophobicContact CD1-CD1 4.25Å
208L97.1Very high89.7Confident0 Ų023.7 Ų23.70%013%0.129CC..Hα-helixtrans-58.8-54.8-178.8-68.6172.4000112.8F154 I159 L163 L167 I183 L204 Y206 V210 V211 H212 L248F154-L208 HydrophobicContact CD1-CD1 3.99Å; F154-L208 HydrophobicContact CE1-CD1 3.66Å; I159-L208 HydrophobicContact CD1-CD1 4.46Å; I159-L208 HydrophobicContact CD1-CD2 4.42Å; L163-L208 HydrophobicContact CB-CD2 4.44Å; L163-L208 HydrophobicContact CD1-CD2 4.42Å; L167-L208 HydrophobicContact CD1-CD1 3.93Å; L167-L208 HydrophobicContact CD1-CD2 3.88Å; L167-L208 HydrophobicContact CD2-CD2 4.31Å; L167-L208 HydrophobicContact CG-CD2 4.3Å; I183-L208 HydrophobicContact CD1-CB 4.39Å; I183-L208 HydrophobicContact CD1-CD1 3.95Å; L204-L208 HydrophobicContact CB-CD1 4.07Å; L204-L208 HydrophobicContact CB-CG 4.31Å; L204-L208 HydrophobicContact CD2-CG 4.41Å; L204-L208 WeakPolarHBondContact O-CB 2.86Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.3Å; Y206-L208 PolarHBondContact O-N 3.23Å; L208-V210 VanDerWaalsContact C-N 3.34Å; L208-V210 PolarHBondContact O-N 2.76Å; L208-V211 PolarHBondContact O-N 2.93Å; L208-H212 VanDerWaalsContact O-CB 3.3Å; L208-H212 WeakPolarHBondContact O-CB 3.41Å; L208-H212 PolarHBondContact O-N 3.37Å; L208-L248 HydrophobicContact CD2-CD1 4.16Å; L208-L248 HydrophobicContact CD2-CD2 3.98Å
209P96.6Very high88.3Confident0 Ų031.9 Ų31.90%017%0.166CC..Hα-helixtrans-68.3-31.3179.226.4-35.6000112.9I183 V186 M187 S205 Y206 R213I183-P209 HydrophobicContact CG1-CG 4.35Å; I183-P209 HydrophobicContact CG2-CB 4.26Å; I183-P209 HydrophobicContact CG2-CG 4.37Å; V186-P209 HydrophobicContact CB-CB 3.89Å; V186-P209 HydrophobicContact CB-CG 3.74Å; V186-P209 HydrophobicContact CG1-CB 3.68Å; V186-P209 HydrophobicContact CG1-CG 3.62Å; V186-P209 HydrophobicContact CG2-CG 4.24Å; M187-P209 HydrophobicContact CG-CB 3.86Å; M187-P209 HydrophobicContact SD-CB 3.66Å; S205-P209 WeakPolarHBondContact O-CG 3.21Å; Y206-P209 WeakPolarHBondContact O-CD 3.41Å; Y206-P209 WeakPolarHBondContact O-CG 3.47Å; P209-R213 WeakPolarHBondContact O-CB 3.27Å; P209-R213 WeakPolarHBondContact O-CG 3.3Å; P209-R213 PolarHBondContact O-N 3.2Å
210V96.5Very high87.1Confident2 Ų238.4 Ų38.41%0.01220%0.199CC..Hα-helixtrans-63-54.7174.2167.50000110.2Y206 L207 L208 H212 R213 L214 A228 F303 L347Y206-V210 WeakPolarHBondContact O-CB 3.5Å; Y206-V210 WeakPolarHBondContact O-CG2 3.4Å; Y206-V210 PolarHBondContact O-N 2.96Å; Y206-V210 VanDerWaalsContact O-N 3.17Å; L207-V210 PolarHBondContact O-N 3.24Å; L208-V210 VanDerWaalsContact C-N 3.34Å; L208-V210 PolarHBondContact O-N 2.76Å; V210-H212 VanDerWaalsContact C-N 3.34Å; V210-H212 PolarHBondContact O-N 3.03Å; V210-R213 PolarHBondContact O-N 2.72Å; V210-L214 HydrophobicContact CG1-CD1 4.08Å; V210-L214 HydrophobicContact CG1-CG 4.38Å; V210-L214 VanDerWaalsContact O-CG 3.32Å; V210-L214 WeakPolarHBondContact O-CG 3.12Å; V210-L214 PolarHBondContact O-N 3.48Å; V210-A228 HydrophobicContact CG1-CB 3.74Å; V210-F303 HydrophobicContact CB-CD2 4.49Å; V210-F303 HydrophobicContact CB-CG 4.49Å; V210-F303 HydrophobicContact CG1-CB 4.49Å; V210-F303 HydrophobicContact CG1-CD2 3.95Å; V210-F303 HydrophobicContact CG1-CE2 4.4Å; V210-F303 HydrophobicContact CG1-CG 4.19Å; V210-F303 HydrophobicContact CG2-CB 4.19Å; V210-F303 HydrophobicContact CG2-CD1 3.73Å; V210-F303 HydrophobicContact CG2-CD2 4.27Å; V210-F303 HydrophobicContact CG2-CE1 4.12Å; V210-F303 HydrophobicContact CG2-CG 3.8Å; V210-L347 HydrophobicContact CG2-CD1 4.11Å
211V96.3Very high85.7Confident0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-61.1-43.9-178172.60000111L163 L207 L208 R213 L214 Q215 L248 L252 L254 I279L163-V211 HydrophobicContact CD1-CB 4.41Å; L163-V211 HydrophobicContact CD1-CG1 4.19Å; L163-V211 HydrophobicContact CD2-CB 4.5Å; L163-V211 HydrophobicContact CD2-CG1 3.8Å; L163-V211 HydrophobicContact CG-CG1 4.48Å; L207-V211 WeakPolarHBondContact O-CB 3.45Å; L207-V211 WeakPolarHBondContact O-CG2 3.16Å; L207-V211 PolarHBondContact O-N 2.83Å; L208-V211 PolarHBondContact O-N 2.93Å; V211-R213 PolarHBondContact O-N 2.79Å; V211-L214 PolarHBondContact O-N 2.85Å; V211-Q215 PolarHBondContact O-N 2.86Å; V211-L248 HydrophobicContact CG2-CB 4.41Å; V211-L252 HydrophobicContact CG1-CD1 3.5Å; V211-L252 VanDerWaalsContact CG1-CD1 3.5Å; V211-L254 HydrophobicContact CG1-CD1 3.92Å; V211-I279 HydrophobicContact CG2-CD1 3.81Å
212H94.9Very high84Confident35 Ų3550.2 Ų50.216%0.16226%0.258CS..Hα-helixtrans-57.6-47.5175.1172.886.4000112.3C160 L163 M187 L208 V210 L214 Q215 A216C160-H212 PolarHBondContact N-ND1 2.85Å; L163-H212 HydrophobicContact CD1-CB 3.98Å; M187-H212 WeakPolarHBondContact CE-CD2 3.19Å; M187-H212 WeakPolarHBondContact CE-NE2 3.49Å; L208-H212 VanDerWaalsContact O-CB 3.3Å; L208-H212 WeakPolarHBondContact O-CB 3.41Å; L208-H212 PolarHBondContact O-N 3.37Å; V210-H212 VanDerWaalsContact C-N 3.34Å; V210-H212 PolarHBondContact O-N 3.03Å; H212-L214 PolarHBondContact O-N 2.8Å; H212-Q215 WeakPolarHBondContact O-CB 3.3Å; H212-Q215 PolarHBondContact O-N 3.29Å; H212-A216 PolarHBondContact O-N 3.27Å; H212-A216 VanDerWaalsContact O-N 3.09Å
213R92.6Very high82.5Confident17 Ų1751.3 Ų51.36%0.06427%0.266CS..Hα-helixtrans-68-34.2179.5-76.4-165.557.9-154.7-0.8112.9M187 P209 V210 V211 Q215 A216 N217 F303 T337M187-R213 HydrophobicContact SD-CG 4.08Å; P209-R213 WeakPolarHBondContact O-CB 3.27Å; P209-R213 WeakPolarHBondContact O-CG 3.3Å; P209-R213 PolarHBondContact O-N 3.2Å; V210-R213 PolarHBondContact O-N 2.72Å; V211-R213 PolarHBondContact O-N 2.79Å; R213-Q215 VanDerWaalsContact C-N 3.3Å; R213-A216 PolarHBondContact O-N 3.27Å; R213-N217 PolarHBondContact O-N 3.19Å; R213-F303 HydrophobicContact CB-CE2 4Å; R213-F303 HydrophobicContact CB-CZ 3.61Å; R213-F303 HydrophobicContact CG-CZ 4.14Å; R213-T337 PolarHBondContact NH2-O 3.39Å
214L91.3Very high81.4Confident0 Ų053.7 Ų53.70%028%0.277CS..Hα-helixtrans-67.2-32.1174.7-68.6-176.6000112.6V210 V211 H212 R227 A228 L254 I279 N302 F303V210-L214 HydrophobicContact CG1-CD1 4.08Å; V210-L214 HydrophobicContact CG1-CG 4.38Å; V210-L214 VanDerWaalsContact O-CG 3.32Å; V210-L214 WeakPolarHBondContact O-CG 3.12Å; V210-L214 PolarHBondContact O-N 3.48Å; V211-L214 PolarHBondContact O-N 2.85Å; H212-L214 PolarHBondContact O-N 2.8Å; L214-R227 HydrophobicContact CD1-CB 4.49Å; L214-R227 HydrophobicContact CD2-CB 3.47Å; L214-R227 VanDerWaalsContact CD2-CB 3.47Å; L214-R227 HydrophobicContact CD2-CG 4.48Å; L214-R227 PolarHBondContact O-NH1 3.27Å; L214-A228 HydrophobicContact CD1-CB 3.98Å; L214-L254 HydrophobicContact CB-CD1 4.18Å; L214-I279 HydrophobicContact CD1-CD1 3.94Å; L214-I279 HydrophobicContact CD1-CG1 3.7Å; L214-N302 HydrophobicContact CD2-CB 4.38Å; L214-F303 HydrophobicContact CD2-CD2 4.27Å; L214-F303 HydrophobicContact CD2-CE2 4.16Å; L214-F303 HydrophobicContact CG-CE2 4.41Å
215Q89.8Confident80.8Confident61 Ų6155.6 Ų55.629%0.28528%0.283SS..Hα-helixtrans-69.5-46.4174.2-179.5-83.1-7.300111.4V211 H212 R213 N217 R218 L252V211-Q215 PolarHBondContact O-N 2.86Å; H212-Q215 WeakPolarHBondContact O-CB 3.3Å; H212-Q215 PolarHBondContact O-N 3.29Å; R213-Q215 VanDerWaalsContact C-N 3.3Å; Q215-N217 PolarHBondContact O-N 3.28Å; Q215-R218 WeakPolarHBondContact O-CB 3.37Å; Q215-R218 PolarHBondContact O-N 2.75Å; Q215-L252 HydrophobicContact CB-CD1 4.09Å; Q215-L252 HydrophobicContact CG-CD1 4.2Å; Q215-L252 HydrophobicContact CG-CD2 3.85Å; Q215-L252 HydrophobicContact CG-CG 4.42Å
216A84.4Confident80.6Confident52 Ų5256 Ų5643%0.4329%0.285SS..Hα-helixtrans-61.2-35-178.600000112.3H212 R213 R218H212-A216 PolarHBondContact O-N 3.27Å; H212-A216 VanDerWaalsContact O-N 3.09Å; R213-A216 PolarHBondContact O-N 3.27Å; A216-R218 VanDerWaalsContact C-N 3.27Å; A216-R218 PolarHBondContact O-N 2.88Å
217N74.3Confident80.4Confident77 Ų7756.9 Ų56.941%0.41229%0.289SS..G310 helixtrans-83.45.8179.7-66.9-5.3000113.8R213 Q215 Q219R213-N217 PolarHBondContact O-N 3.19Å; Q215-N217 PolarHBondContact O-N 3.28Å; N217-Q219 VanDerWaalsContact C-N 3.27Å; N217-Q219 PolarHBondContact O-N 2.84Å
218R69.9Low80.4Confident134 Ų13456.9 Ų56.951%0.50629%0.288SS..G310 helixtrans-73.1-18.8-175.1-168.6177.2-177.3176.86.7113.5Q215 A216 D220 L252Q215-R218 WeakPolarHBondContact O-CB 3.37Å; Q215-R218 PolarHBondContact O-N 2.75Å; A216-R218 VanDerWaalsContact C-N 3.27Å; A216-R218 PolarHBondContact O-N 2.88Å; R218-D220 PolarHBondContact O-N 3.05Å; R218-L252 PolarHBondContact NH1-O 3.3Å
219Q54.1Low80.4Confident183 Ų18356.9 Ų56.986%0.85529%0.288SS*.G310 helixtrans-67.7-15.7-172.4-69.2-172.2-1800114.2N217N217-Q219 VanDerWaalsContact C-N 3.27Å; N217-Q219 PolarHBondContact O-N 2.84Å
220D52.2Low80.5Confident144 Ų14457 Ų5777%0.7729%0.289SS*.G310 helixtrans-103-16.3-170.6-76.1-32.8000116.8R218R218-D220 PolarHBondContact O-N 3.05Å
221E52.4Low80.6Confident120 Ų12056.9 Ų56.956%0.56129%0.288SS*.  trans-168.2126.7-173-112.7159.9-155.700114.8T223 R225E221-T223 HydrophobicContact CB-CG2 3.68Å; E221-T223 HydrophobicContact CG-CG2 3.71Å; E221-T223 PolarHBondContact O-N 3.22Å; E221-T223 VanDerWaalsContact OE2-CG2 3.25Å; E221-T223 WeakPolarHBondContact OE2-CG2 3.45Å; E221-R225 IonicContact OE2-CZ 2.96Å; E221-R225 IonicContact OE2-NH1 2.68Å; E221-R225 IonicContact OE2-NH2 2.92Å; E221-R225 PolarHBondContact OE2-NH2 2.86Å
222T52.2Low80.5Confident155 Ų15556.9 Ų56.995%0.95129%0.288SS*.  trans-7370.9158.1520000109
223T59.1Low80.2Confident38 Ų3856.1 Ų56.123%0.23329%0.287CS..  trans-89.5126.7179.137.80000111E221 R225E221-T223 HydrophobicContact CB-CG2 3.68Å; E221-T223 HydrophobicContact CG-CG2 3.71Å; E221-T223 PolarHBondContact O-N 3.22Å; E221-T223 VanDerWaalsContact OE2-CG2 3.25Å; E221-T223 WeakPolarHBondContact OE2-CG2 3.45Å; T223-R225 PolarHBondContact O-N 3.07Å; T223-R225 PolarHBondContact OG1-NE 3.06Å
224D71.3Confident79.9Confident90 Ų9055.9 Ų55.948%0.48129%0.288SS..  trans-79.256.7173.1-144.418.9000109.2H276D224-H276 VanDerWaalsContact C-CB 3.45Å; D224-H276 HydrophobicContact CB-CB 4.42Å; D224-H276 PolarHBondContact O-CE1 2.63Å; D224-H276 PolarHBondContact O-ND1 3.13Å; D224-H276 VanDerWaalsContact O-ND1 3.07Å; D224-H276 VanDerWaalsContact OD1-CB 3.28Å; D224-H276 WeakPolarHBondContact OD1-CB 3.4Å; D224-H276 IonicContact OD1-CD2 3.46Å; D224-H276 PolarHBondContact OD1-CD2 2.84Å; D224-H276 IonicContact OD1-CG 2.91Å; D224-H276 PolarHBondContact OD1-N 3.49Å; D224-H276 IonicContact OD2-CD2 3.57Å; D224-H276 PolarHBondContact OD2-CD2 3.29Å; D224-H276 VanDerWaalsContact OD2-CD2 3.25Å; D224-H276 IonicContact OD2-NE2 2.73Å
225R82.8Confident79.6Confident58 Ų5856.7 Ų56.722%0.21929%0.291CS..SBendtrans-132.1156.8-175.175.8-174.8160.9-171.6-8.9113E221 T223 R227 E300E221-R225 IonicContact OE2-CZ 2.96Å; E221-R225 IonicContact OE2-NH1 2.68Å; E221-R225 IonicContact OE2-NH2 2.92Å; E221-R225 PolarHBondContact OE2-NH2 2.86Å; T223-R225 PolarHBondContact O-N 3.07Å; T223-R225 PolarHBondContact OG1-NE 3.06Å; R225-R227 HydrophobicContact CG-CG 4.19Å; R225-E300 WeakPolarHBondContact CD-OE2 3.36Å; R225-E300 IonicContact CZ-OE2 3.9Å; R225-E300 IonicContact NE-OE2 3.26Å; R225-E300 VanDerWaalsContact NH1-CD 3.35Å; R225-E300 IonicContact NH1-OE1 3.04Å; R225-E300 IonicContact NH1-OE2 3.94Å; R225-E300 PolarHBondContact NH1-OE2 3.47Å
226I91.1Very high79.4Confident8 Ų854.1 Ų54.14%0.04128%0.279CS..  trans-82.6124.8175-53.9163.4000107.9F272 P277 L280 L296 L301I226-F272 HydrophobicContact CD1-CD1 4.38Å; I226-F272 HydrophobicContact CD1-CE1 3.59Å; I226-F272 HydrophobicContact CD1-CZ 4.17Å; I226-F272 HydrophobicContact CG1-CE1 4.15Å; I226-P277 WeakPolarHBondContact CA-O 3.46Å; I226-L280 HydrophobicContact CD1-CD2 3.97Å; I226-L280 HydrophobicContact CG2-CB 3.87Å; I226-L296 HydrophobicContact CD1-CB 3.89Å; I226-L296 HydrophobicContact CD1-CD1 3.86Å; I226-L301 HydrophobicContact CB-CD2 4.42Å; I226-L301 HydrophobicContact CG2-CD2 3.88Å
227R92.9Very high79.6Confident20 Ų2052.1 Ų52.18%0.07526%0.261CS..  trans-105-29.4-177.4-61.2-172.5-75155.1-4.4112.8L214 R225 D278 N302 F303L214-R227 HydrophobicContact CD1-CB 4.49Å; L214-R227 HydrophobicContact CD2-CB 3.47Å; L214-R227 VanDerWaalsContact CD2-CB 3.47Å; L214-R227 HydrophobicContact CD2-CG 4.48Å; L214-R227 PolarHBondContact O-NH1 3.27Å; R225-R227 HydrophobicContact CG-CG 4.19Å; R227-D278 IonicContact CZ-OD1 3.68Å; R227-D278 VanDerWaalsContact CZ-OD1 3.26Å; R227-D278 PolarHBondContact N-O 2.61Å; R227-D278 IonicContact NE-OD1 2.71Å; R227-D278 PolarHBondContact NE-OD1 3.29Å; R227-D278 VanDerWaalsContact NH2-CG 3.28Å; R227-D278 IonicContact NH2-OD1 3.73Å; R227-D278 PolarHBondContact NH2-OD1 3.12Å; R227-N302 WeakPolarHBondContact O-CA 3.21Å; R227-N302 WeakPolarHBondContact O-CB 3.46Å; R227-N302 PolarHBondContact O-N 3.16Å; R227-F303 PolarHBondContact O-N 3.05Å
228A96.6Very high80.4Confident0 Ų048.5 Ų48.50%024%0.242CC..EExtended strand (participates in β ladder)trans-134137.9172.500000111.6V210 L214 D278 I279 L280 F303V210-A228 HydrophobicContact CG1-CB 3.74Å; L214-A228 HydrophobicContact CD1-CB 3.98Å; A228-D278 PolarHBondContact N-O 2.94Å; A228-I279 HydrophobicContact CB-CG1 4.25Å; A228-I279 HydrophobicContact CB-CG2 4.42Å; A228-I279 WeakPolarHBondContact O-CA 3.44Å; A228-L280 PolarHBondContact O-N 3.03Å; A228-F303 WeakPolarHBondContact CA-O 3.08Å; A228-F303 HydrophobicContact CB-CB 4.04Å; A228-F303 HydrophobicContact CB-CD2 4.35Å
229L97.9Very high81.3Confident0 Ų044.8 Ų44.80%023%0.23CC..EExtended strand (participates in β ladder)trans-117.7129.3174.1173.560.5000109.6V231 L280 A282 L287 L298 L301 F303 L304 V305 I324L229-V231 HydrophobicContact CD1-CG2 4.38Å; L229-V231 HydrophobicContact CD2-CG2 4.05Å; L229-V231 HydrophobicContact CG-CG2 3.94Å; L229-L280 CarbonylContact C-O 3.49Å; L229-L280 WeakPolarHBondContact CA-O 3.49Å; L229-L280 HydrophobicContact CD1-CB 4.19Å; L229-L280 HydrophobicContact CD1-CD2 4.06Å; L229-L280 HydrophobicContact CD1-CG 4.08Å; L229-A282 HydrophobicContact CD1-CB 4.18Å; L229-L287 HydrophobicContact CD1-CD1 4.22Å; L229-L287 HydrophobicContact CD1-CD2 4.08Å; L229-L287 HydrophobicContact CD2-CD1 4.3Å; L229-L287 HydrophobicContact CD2-CD2 3.47Å; L229-L287 VanDerWaalsContact CD2-CD2 3.47Å; L229-L287 HydrophobicContact CG-CD2 4.32Å; L229-L298 HydrophobicContact CD2-CD1 3.91Å; L229-L298 HydrophobicContact CD2-CD2 3.88Å; L229-L301 HydrophobicContact CB-CD1 3.93Å; L229-L301 HydrophobicContact CB-CD2 3.99Å; L229-L301 HydrophobicContact CD2-CD1 4.28Å; L229-F303 PolarHBondContact N-O 3.01Å; L229-L304 HydrophobicContact CB-CD1 3.92Å; L229-L304 HydrophobicContact CD2-CD1 3.43Å; L229-L304 VanDerWaalsContact CD2-CD1 3.43Å; L229-L304 HydrophobicContact CG-CD1 3.67Å; L229-L304 WeakPolarHBondContact O-CA 3.44Å; L229-V305 PolarHBondContact O-N 3.5Å; L229-I324 HydrophobicContact CD2-CG2 4.28Å
230V98.3Very high83Confident2 Ų237.5 Ų37.51%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-114.9114.1170.8-1730000109.2Y206 V232 V241 I279 L280 V281 A282 V305Y206-V230 HydrophobicContact CE2-CG1 4.04Å; Y206-V230 HydrophobicContact CE2-CG2 4.1Å; V230-V232 HydrophobicContact CG1-CG1 4.21Å; V230-V241 HydrophobicContact CG1-CG1 4.07Å; V230-I279 HydrophobicContact CG2-CG2 4.42Å; V230-L280 PolarHBondContact N-O 3.36Å; V230-V281 HydrophobicContact CB-CG1 4.34Å; V230-V281 HydrophobicContact CB-CG2 4.28Å; V230-V281 CarbonylContact O-C 3.54Å; V230-V281 WeakPolarHBondContact O-CA 3.31Å; V230-A282 PolarHBondContact O-N 3Å; V230-V305 HydrophobicContact CB-CB 4.34Å; V230-V305 HydrophobicContact CG1-CB 4.11Å; V230-V305 HydrophobicContact CG1-CG1 4.23Å; V230-V305 HydrophobicContact CG2-CB 4.12Å; V230-V305 HydrophobicContact CG2-CG2 4.2Å
231V97.4Very high85.1Confident0 Ų030.7 Ų30.70%016%0.16CC..EExtended strand (participates in β ladder)trans-95.8127.4178.5-171.40000109.2L229 A282 P284 L287 L304 V305 D307 M312 I324L229-V231 HydrophobicContact CD1-CG2 4.38Å; L229-V231 HydrophobicContact CD2-CG2 4.05Å; L229-V231 HydrophobicContact CG-CG2 3.94Å; V231-A282 WeakPolarHBondContact CA-O 3.39Å; V231-P284 HydrophobicContact CG1-CG 3.75Å; V231-L287 HydrophobicContact CG2-CD2 4.13Å; V231-L304 HydrophobicContact CG2-CD1 3.92Å; V231-V305 PolarHBondContact N-O 3.1Å; V231-D307 PolarHBondContact O-N 3.32Å; V231-M312 HydrophobicContact CG1-CE 3.59Å; V231-M312 HydrophobicContact CG1-SD 4.32Å; V231-I324 HydrophobicContact CG1-CD1 4.47Å; V231-I324 HydrophobicContact CG2-CG2 4.44Å
232V94.5Very high87.1Confident0 Ų025 Ų250%013%0.133CC..  trans-133.9149.6-177.5-70.10000111.1V230 S234 L237 A238 V241 V281 A282 T283 P284 D307V230-V232 HydrophobicContact CG1-CG1 4.21Å; V232-S234 PolarHBondContact O-N 3.15Å; V232-L237 HydrophobicContact CB-CB 4.46Å; V232-L237 HydrophobicContact CB-CD2 3.97Å; V232-L237 HydrophobicContact CB-CG 4.06Å; V232-L237 HydrophobicContact CG1-CD2 3.96Å; V232-L237 HydrophobicContact CG1-CG 3.92Å; V232-A238 HydrophobicContact CG2-CB 3.54Å; V232-V241 HydrophobicContact CG1-CG2 4.28Å; V232-V281 HydrophobicContact CG1-CG1 4.48Å; V232-V281 HydrophobicContact CG2-CG1 4.09Å; V232-A282 PolarHBondContact N-O 3.03Å; V232-T283 WeakPolarHBondContact O-CA 3.36Å; V232-P284 VanDerWaalsContact O-CD 3.29Å; V232-P284 WeakPolarHBondContact O-CD 3.35Å; V232-D307 HydrophobicContact CG1-CB 3.99Å
233P89.4Confident89.1Confident19 Ų1919.9 Ų19.912%0.12311%0.107CC..SBendtrans-69.5-28.3-175.426.4-38.3000114.6L237 E308 T311 M312 F317P233-L237 HydrophobicContact CG-CD2 4.15Å; P233-E308 HydrophobicContact CG-CB 3.78Å; P233-E308 HydrophobicContact CG-CG 4.06Å; P233-T311 HydrophobicContact CB-CG2 3.83Å; P233-T311 HydrophobicContact CG-CG2 4.36Å; P233-M312 HydrophobicContact CB-SD 4.19Å; P233-F317 HydrophobicContact CB-CE2 4.4Å; P233-F317 HydrophobicContact CB-CZ 4.4Å
234S86.6Confident90.8Very high12 Ų1220.8 Ų20.88%0.08411%0.112CC..  trans-129.4157-17377.90000112.7V232 E236 L237 A238V232-S234 PolarHBondContact O-N 3.15Å; S234-E236 VanDerWaalsContact C-N 3.33Å; S234-L237 VanDerWaalsContact OG-CB 3.27Å; S234-L237 WeakPolarHBondContact OG-CB 3.42Å; S234-L237 PolarHBondContact OG-N 2.87Å; S234-L237 VanDerWaalsContact OG-N 3.16Å; S234-A238 PolarHBondContact O-N 2.74Å
235R84.9Confident92.1Very high18 Ų1816.5 Ų16.57%0.0689%0.089CC..Hα-helixtrans-72.9-33.3178.9-70.2-174.359.2-172.6-4.7111.7L237 A238 E239 G261 T283R235-L237 VanDerWaalsContact C-N 3.35Å; R235-A238 WeakPolarHBondContact O-CB 3.23Å; R235-A238 PolarHBondContact O-N 3.3Å; R235-E239 PolarHBondContact O-N 2.83Å; R235-G261 WeakPolarHBondContact CD-O 3.41Å; R235-G261 VanDerWaalsContact CZ-O 3.25Å; R235-G261 PolarHBondContact NE-O 2.9Å; R235-G261 PolarHBondContact NH1-O 2.97Å; R235-T283 HydrophobicContact CG-CG2 3.78Å
236E85.3Confident92.7Very high7 Ų718.5 Ų18.53%0.03310%0.096CC..Hα-helixtrans-64.7-44.7178.6-61.970.1-16000109.6S234 E239 Q240 R453 L478S234-E236 VanDerWaalsContact C-N 3.33Å; E236-E239 PolarHBondContact O-N 3.19Å; E236-Q240 WeakPolarHBondContact O-CG 3.34Å; E236-Q240 PolarHBondContact O-N 3.49Å; E236-Q240 VanDerWaalsContact O-N 3.13Å; E236-R453 VanDerWaalsContact CD-NH2 3.29Å; E236-R453 WeakPolarHBondContact OE1-CB 3.36Å; E236-R453 IonicContact OE1-CZ 2.67Å; E236-R453 VanDerWaalsContact OE1-CZ 3.23Å; E236-R453 IonicContact OE1-NE 3.68Å; E236-R453 PolarHBondContact OE1-NE 3.38Å; E236-R453 IonicContact OE1-NH2 3.47Å; E236-R453 PolarHBondContact OE1-NH2 3.26Å; E236-R453 IonicContact OE2-CZ 3.5Å; E236-R453 IonicContact OE2-NE 3.81Å; E236-R453 IonicContact OE2-NH2 2.7Å; E236-R453 PolarHBondContact OE2-NH2 3.26Å; E236-L478 HydrophobicContact CB-CD2 3.44Å; E236-L478 VanDerWaalsContact CB-CD2 3.44Å; E236-L478 HydrophobicContact CG-CD2 4.15Å
237L87.9Confident93Very high9 Ų921.3 Ų21.35%0.04711%0.114CC..Hα-helixtrans-65.9-37.5171.3-178.557000111.9V232 P233 S234 R235 E239 Q240 V241 E308V232-L237 HydrophobicContact CB-CB 4.46Å; V232-L237 HydrophobicContact CB-CD2 3.97Å; V232-L237 HydrophobicContact CB-CG 4.06Å; V232-L237 HydrophobicContact CG1-CD2 3.96Å; V232-L237 HydrophobicContact CG1-CG 3.92Å; P233-L237 HydrophobicContact CG-CD2 4.15Å; S234-L237 VanDerWaalsContact OG-CB 3.27Å; S234-L237 WeakPolarHBondContact OG-CB 3.42Å; S234-L237 PolarHBondContact OG-N 2.87Å; S234-L237 VanDerWaalsContact OG-N 3.16Å; R235-L237 VanDerWaalsContact C-N 3.35Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-E239 PolarHBondContact O-N 2.99Å; L237-Q240 PolarHBondContact O-N 3.07Å; L237-V241 HydrophobicContact CD1-CG2 3.82Å; L237-V241 HydrophobicContact CG-CG2 4.19Å; L237-V241 WeakPolarHBondContact O-CG2 3.47Å; L237-V241 PolarHBondContact O-N 3.27Å; L237-E308 HydrophobicContact CD2-CG 3.55Å
238A91.6Very high93.1Very high2 Ų220.5 Ų20.52%0.01711%0.111CC..Hα-helixtrans-58.7-45.2176.200000112.3V232 S234 R235 A242 V281V232-A238 HydrophobicContact CG2-CB 3.54Å; S234-A238 PolarHBondContact O-N 2.74Å; R235-A238 WeakPolarHBondContact O-CB 3.23Å; R235-A238 PolarHBondContact O-N 3.3Å; A238-A242 WeakPolarHBondContact O-CB 3.31Å; A238-A242 PolarHBondContact O-N 3.42Å; A238-V281 HydrophobicContact CB-CG1 3.92Å
239E89.8Confident93.1Very high55 Ų5520.5 Ų20.526%0.25711%0.111SC..Hα-helixtrans-68.2-34.4177.2-68.1-59.1158.700112.4R235 E236 L237 A243 R246 T258R235-E239 PolarHBondContact O-N 2.83Å; E236-E239 PolarHBondContact O-N 3.19Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-E239 PolarHBondContact O-N 2.99Å; E239-A243 WeakPolarHBondContact O-CB 3.45Å; E239-A243 PolarHBondContact O-N 3.48Å; E239-R246 IonicContact OE2-NH1 2.8Å; E239-R246 IonicContact OE2-NH2 3.46Å; E239-T258 PolarHBondContact OE1-OG1 2.83Å
240Q89.8Confident92.8Very high31 Ų3123.9 Ų23.915%0.14514%0.139CC..Hα-helixtrans-65.3-51.3174.4-75.5166.6-16.900112.3E236 L237 A242 A243 V244 F457 G477E236-Q240 WeakPolarHBondContact O-CG 3.34Å; E236-Q240 PolarHBondContact O-N 3.49Å; E236-Q240 VanDerWaalsContact O-N 3.13Å; L237-Q240 PolarHBondContact O-N 3.07Å; Q240-A242 VanDerWaalsContact C-N 3.28Å; Q240-A242 PolarHBondContact O-N 2.99Å; Q240-A243 WeakPolarHBondContact O-CB 3.3Å; Q240-A243 PolarHBondContact O-N 2.97Å; Q240-A243 VanDerWaalsContact O-N 3.17Å; Q240-V244 WeakPolarHBondContact O-CG2 3.4Å; Q240-V244 PolarHBondContact O-N 3.04Å; Q240-F457 HydrophobicContact CG-CE1 4.47Å; Q240-G477 PolarHBondContact OE1-O 3.4Å
241V94.9Very high92.6Very high1 Ų126.5 Ų26.51%0.00616%0.156CC..Hα-helixtrans-61.8-40.8177.6172.40000110.1T203 Y206 V230 V232 L237 A243 V244 S245 V281T203-V241 HydrophobicContact CG2-CG2 4.34Å; Y206-V241 WeakPolarHBondContact OH-CG1 3.5Å; V230-V241 HydrophobicContact CG1-CG1 4.07Å; V232-V241 HydrophobicContact CG1-CG2 4.28Å; L237-V241 HydrophobicContact CD1-CG2 3.82Å; L237-V241 HydrophobicContact CG-CG2 4.19Å; L237-V241 WeakPolarHBondContact O-CG2 3.47Å; L237-V241 PolarHBondContact O-N 3.27Å; V241-A243 PolarHBondContact O-N 3.44Å; V241-V244 PolarHBondContact O-N 3.36Å; V241-S245 VanDerWaalsContact O-CB 3.3Å; V241-S245 WeakPolarHBondContact O-CB 3.38Å; V241-S245 PolarHBondContact O-N 3.19Å; V241-V281 HydrophobicContact CB-CG1 4.16Å; V241-V281 HydrophobicContact CG1-CG1 4.12Å; V241-V281 HydrophobicContact CG1-CG2 4.09Å
242A95.3Very high92.3Very high0 Ų027 Ų270%016%0.158CC..Hα-helixtrans-65.7-36.4175.800000112.8A238 Q240 S245 R246 T256 T258 V281A238-A242 WeakPolarHBondContact O-CB 3.31Å; A238-A242 PolarHBondContact O-N 3.42Å; Q240-A242 VanDerWaalsContact C-N 3.28Å; Q240-A242 PolarHBondContact O-N 2.99Å; A242-S245 PolarHBondContact O-N 3.23Å; A242-R246 WeakPolarHBondContact O-CB 3.37Å; A242-R246 VanDerWaalsContact O-CG 3.22Å; A242-R246 WeakPolarHBondContact O-CG 3.32Å; A242-R246 PolarHBondContact O-N 3.25Å; A242-T256 HydrophobicContact CB-CG2 4.15Å; A242-T258 HydrophobicContact CB-CG2 3.23Å; A242-V281 HydrophobicContact CB-CB 4.39Å; A242-V281 HydrophobicContact CB-CG2 4.09Å
243A93.9Very high92.1Very high48 Ų4829 Ų2940%0.39718%0.179SC..Hα-helixtrans-62.4-47.6174.300000111.3E239 Q240 V241 S245 R246 T247E239-A243 WeakPolarHBondContact O-CB 3.45Å; E239-A243 PolarHBondContact O-N 3.48Å; Q240-A243 WeakPolarHBondContact O-CB 3.3Å; Q240-A243 PolarHBondContact O-N 2.97Å; Q240-A243 VanDerWaalsContact O-N 3.17Å; V241-A243 PolarHBondContact O-N 3.44Å; A243-S245 PolarHBondContact O-N 3.22Å; A243-R246 PolarHBondContact O-N 3.45Å; A243-T247 PolarHBondContact O-N 2.83Å; A243-T247 VanDerWaalsContact O-N 3.14Å; A243-T247 PolarHBondContact O-OG1 3.17Å
244V95.3Very high92.2Very high56 Ų5628.6 Ų28.634%0.33918%0.176SC..Hα-helixtrans-60.7-46.3175.3179.30000110.7T203 L204 L207 Q240 V241 R246 T247 L248T203-V244 HydrophobicContact CG2-CG1 4.39Å; L204-V244 HydrophobicContact CD2-CG1 3.87Å; L207-V244 HydrophobicContact CD1-CB 4.14Å; L207-V244 HydrophobicContact CD1-CG1 3.75Å; Q240-V244 WeakPolarHBondContact O-CG2 3.4Å; Q240-V244 PolarHBondContact O-N 3.04Å; V241-V244 PolarHBondContact O-N 3.36Å; V244-R246 PolarHBondContact O-N 3.49Å; V244-T247 PolarHBondContact O-N 3.02Å; V244-L248 HydrophobicContact CG1-CD1 4.26Å; V244-L248 WeakPolarHBondContact O-CG 3.35Å; V244-L248 PolarHBondContact O-N 3.49Å; V244-L248 VanDerWaalsContact O-N 3.14Å
245S97.2Very high92.5Very high0 Ų032.2 Ų32.20%019%0.188CC..Hα-helixtrans-61.7-43.5178.5171.40000112.2V241 A242 A243 T247 L248 C249 T256V241-S245 VanDerWaalsContact O-CB 3.3Å; V241-S245 WeakPolarHBondContact O-CB 3.38Å; V241-S245 PolarHBondContact O-N 3.19Å; A242-S245 PolarHBondContact O-N 3.23Å; A243-S245 PolarHBondContact O-N 3.22Å; S245-T247 VanDerWaalsContact C-N 3.32Å; S245-T247 PolarHBondContact O-N 2.87Å; S245-L248 PolarHBondContact O-N 2.79Å; S245-C249 WeakPolarHBondContact O-CB 2.83Å; S245-C249 PolarHBondContact O-N 2.78Å; S245-C249 PolarHBondContact O-SG 3.2Å; S245-T256 WeakPolarHBondContact OG-CG2 3.47Å; S245-T256 PolarHBondContact OG-OG1 3.02Å
246R96.6Very high93Very high101 Ų10132 Ų3238%0.38119%0.188SC..Hα-helixtrans-59.7-41.6176.4-75177-157.5121.1-1.8111.8E239 A242 A243 V244 C249 A250 T256E239-R246 IonicContact OE2-NH1 2.8Å; E239-R246 IonicContact OE2-NH2 3.46Å; A242-R246 WeakPolarHBondContact O-CB 3.37Å; A242-R246 VanDerWaalsContact O-CG 3.22Å; A242-R246 WeakPolarHBondContact O-CG 3.32Å; A242-R246 PolarHBondContact O-N 3.25Å; A243-R246 PolarHBondContact O-N 3.45Å; V244-R246 PolarHBondContact O-N 3.49Å; R246-C249 PolarHBondContact O-N 2.9Å; R246-A250 VanDerWaalsContact O-CB 3.32Å; R246-A250 WeakPolarHBondContact O-CB 3.32Å; R246-A250 PolarHBondContact O-N 2.89Å; R246-T256 HydrophobicContact CG-CG2 4.41Å; R246-T256 PolarHBondContact NE-O 2.65Å
247T96.4Very high93.4Very high66 Ų6633.2 Ų33.241%0.40520%0.198SC..Hα-helixtrans-60.1-45.7176.2-58.60000111.7T166 V170 A243 V244 S245 P251T166-T247 HydrophobicContact CG2-CG2 3.89Å; V170-T247 HydrophobicContact CG1-CG2 3.99Å; A243-T247 PolarHBondContact O-N 2.83Å; A243-T247 VanDerWaalsContact O-N 3.14Å; A243-T247 PolarHBondContact O-OG1 3.17Å; V244-T247 PolarHBondContact O-N 3.02Å; S245-T247 VanDerWaalsContact C-N 3.32Å; S245-T247 PolarHBondContact O-N 2.87Å; T247-P251 WeakPolarHBondContact O-CD 3.49Å
248L96.4Very high93.6Very high4 Ų433.5 Ų33.52%0.02120%0.2CC..Hα-helixtrans-70.1-34.6178.2-62.2175.5000113L163 T166 L167 L204 L207 L208 V211 V244 S245L163-L248 HydrophobicContact CD2-CB 3.95Å; L163-L248 HydrophobicContact CD2-CD2 4.12Å; T166-L248 HydrophobicContact CG2-CD2 4.22Å; L167-L248 HydrophobicContact CD2-CD2 4.32Å; L204-L248 HydrophobicContact CD2-CD1 3.9Å; L207-L248 HydrophobicContact CB-CD1 3.81Å; L207-L248 HydrophobicContact CD1-CD1 4.25Å; L208-L248 HydrophobicContact CD2-CD1 4.16Å; L208-L248 HydrophobicContact CD2-CD2 3.98Å; V211-L248 HydrophobicContact CG2-CB 4.41Å; V244-L248 HydrophobicContact CG1-CD1 4.26Å; V244-L248 WeakPolarHBondContact O-CG 3.35Å; V244-L248 PolarHBondContact O-N 3.49Å; V244-L248 VanDerWaalsContact O-N 3.14Å; S245-L248 PolarHBondContact O-N 2.79Å
249C95Very high93.6Very high0 Ų033.5 Ų33.50%020%0.2CC..Hα-helixtrans-80-29.3-176.5-76.60000113.8S245 R246 L252 G253 L254 I279S245-C249 WeakPolarHBondContact O-CB 2.83Å; S245-C249 PolarHBondContact O-N 2.78Å; S245-C249 PolarHBondContact O-SG 3.2Å; R246-C249 PolarHBondContact O-N 2.9Å; C249-L252 CarbonylContact O-C 3.58Å; C249-L252 PolarHBondContact O-N 2.85Å; C249-G253 PolarHBondContact O-N 3.25Å; C249-G253 VanDerWaalsContact O-N 3.09Å; C249-L254 HydrophobicContact CB-CB 3.67Å; C249-L254 WeakPolarHBondContact CB-O 3.42Å; C249-L254 PolarHBondContact O-N 3.21Å; C249-L254 VanDerWaalsContact O-N 3.11Å; C249-I279 VanDerWaalsContact SG-CD1 3.56Å
250A93.4Very high93.5Very high71 Ų7131.4 Ų31.459%0.58719%0.193SC*.G310 helixtrans-52.3-51.9-175.400000114.8R246 L252 G253R246-A250 VanDerWaalsContact O-CB 3.32Å; R246-A250 WeakPolarHBondContact O-CB 3.32Å; R246-A250 PolarHBondContact O-N 2.89Å; A250-L252 PolarHBondContact O-N 2.63Å; A250-G253 PolarHBondContact O-N 3.37Å
251P92.7Very high92.8Very high57 Ų5731.5 Ų31.537%0.3720%0.203SC..G310 helixtrans-65.9-23.3179.627.9-36.6000112.7E162 T247E162-P251 HydrophobicContact CB-CB 4.28Å; E162-P251 HydrophobicContact CB-CG 4.47Å; T247-P251 WeakPolarHBondContact O-CD 3.49Å
252L91.5Very high91.7Very high9 Ų935.2 Ų35.25%0.04724%0.241CC..G310 helixtrans-94.42.5-178.5-58.3176.9000112.4E162 L163 V211 Q215 R218 C249 A250 L254E162-L252 HydrophobicContact CB-CD2 3.78Å; E162-L252 HydrophobicContact CG-CD2 3.97Å; L163-L252 HydrophobicContact CD2-CD1 4.11Å; L163-L252 HydrophobicContact CG-CD1 4.19Å; V211-L252 HydrophobicContact CG1-CD1 3.5Å; V211-L252 VanDerWaalsContact CG1-CD1 3.5Å; Q215-L252 HydrophobicContact CB-CD1 4.09Å; Q215-L252 HydrophobicContact CG-CD1 4.2Å; Q215-L252 HydrophobicContact CG-CD2 3.85Å; Q215-L252 HydrophobicContact CG-CG 4.42Å; R218-L252 PolarHBondContact NH1-O 3.3Å; C249-L252 CarbonylContact O-C 3.58Å; C249-L252 PolarHBondContact O-N 2.85Å; A250-L252 PolarHBondContact O-N 2.63Å; L252-L254 HydrophobicContact CB-CD1 4.16Å; L252-L254 HydrophobicContact CB-CG 4.11Å; L252-L254 HydrophobicContact CD1-CD1 4.41Å; L252-L254 PolarHBondContact O-N 2.78Å
253G90.3Very high90.5Very high42 Ų4240.4 Ų40.443%0.43326%0.26SS..THydrogen-bonded Turntrans59.924.2-177.900000114.4C249 A250C249-G253 PolarHBondContact O-N 3.25Å; C249-G253 VanDerWaalsContact O-N 3.09Å; A250-G253 PolarHBondContact O-N 3.37Å
254L91.9Very high89.6Confident12 Ų1240.2 Ų40.26%0.06326%0.263CS..  trans-86.6148.4175.2-64.4173.6000110.2V211 L214 C249 L252 D278V211-L254 HydrophobicContact CG1-CD1 3.92Å; L214-L254 HydrophobicContact CB-CD1 4.18Å; C249-L254 HydrophobicContact CB-CB 3.67Å; C249-L254 WeakPolarHBondContact CB-O 3.42Å; C249-L254 PolarHBondContact O-N 3.21Å; C249-L254 VanDerWaalsContact O-N 3.11Å; L252-L254 HydrophobicContact CB-CD1 4.16Å; L252-L254 HydrophobicContact CB-CG 4.11Å; L252-L254 HydrophobicContact CD1-CD1 4.41Å; L252-L254 PolarHBondContact O-N 2.78Å; L254-D278 HydrophobicContact CD2-CB 4.25Å
255R92.2Very high88.9Confident87 Ų8739.4 Ų39.433%0.32826%0.258SS..  trans-109.2130.4-174.3-60.9177.5-64.5-160.79.4111N275 H276 D278 I279R255-N275 VanDerWaalsContact NH1-CG 3.29Å; R255-N275 PolarHBondContact NH1-OD1 3.16Å; R255-H276 VanDerWaalsContact CZ-O 3.28Å; R255-H276 PolarHBondContact NE-O 3.05Å; R255-H276 PolarHBondContact NH2-O 3.14Å; R255-D278 PolarHBondContact N-OD2 3.37Å; R255-D278 IonicContact NE-OD2 3.23Å; R255-D278 PolarHBondContact O-N 3Å; R255-I279 PolarHBondContact O-N 3.19Å
256T94.9Very high88.2Confident13 Ų1341.4 Ų41.48%0.0828%0.279CS..EExtended strand (participates in β ladder)trans-120.9126.9176.7-55.40000111.6A242 S245 R246 I279 V281A242-T256 HydrophobicContact CB-CG2 4.15Å; S245-T256 WeakPolarHBondContact OG-CG2 3.47Å; S245-T256 PolarHBondContact OG-OG1 3.02Å; R246-T256 HydrophobicContact CG-CG2 4.41Å; R246-T256 PolarHBondContact NE-O 2.65Å; T256-I279 VanDerWaalsContact CA-O 3.29Å; T256-I279 WeakPolarHBondContact CA-O 3.47Å; T256-I279 HydrophobicContact CG2-CB 4.29Å; T256-I279 HydrophobicContact CG2-CG2 4.36Å; T256-V281 HydrophobicContact CG2-CG2 4.19Å
257S94.2Very high87.5Confident34 Ų3439 Ų3924%0.23827%0.272CS..EExtended strand (participates in β ladder)trans-126.5159.7177.7-69.20000112.3I279 V281S257-I279 PolarHBondContact N-O 3.32Å; S257-I279 VanDerWaalsContact N-O 3.07Å; S257-V281 PolarHBondContact O-N 2.93Å
258T93.3Very high87Confident15 Ų1536 Ų369%0.09225%0.253CS..EExtended strand (participates in β ladder)trans-115.9140178.755.50000112.5E239 A242 V281E239-T258 PolarHBondContact OE1-OG1 2.83Å; A242-T258 HydrophobicContact CB-CG2 3.23Å; T258-V281 CarbonylContact C-O 3.52Å; T258-V281 VanDerWaalsContact CA-O 3.23Å; T258-V281 WeakPolarHBondContact CA-O 3.29Å; T258-V281 HydrophobicContact CG2-CB 4.31Å
259V91.5Very high86.4Confident2 Ų241.1 Ų41.11%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-127.8112.7171169.50000110.2I268 V271 F272 L280 V281 A282 T283 A286V259-I268 HydrophobicContact CG1-CG1 4.08Å; V259-I268 HydrophobicContact CG1-CG2 4.38Å; V259-V271 HydrophobicContact CG2-CB 4.18Å; V259-V271 HydrophobicContact CG2-CG1 4.11Å; V259-V271 HydrophobicContact CG2-CG2 3.97Å; V259-F272 HydrophobicContact CG2-CE2 4.4Å; V259-F272 HydrophobicContact CG2-CZ 4.28Å; V259-L280 HydrophobicContact CB-CD1 4.17Å; V259-L280 HydrophobicContact CG2-CD1 3.75Å; V259-V281 PolarHBondContact N-O 3.06Å; V259-A282 HydrophobicContact CB-CB 4.2Å; V259-A282 WeakPolarHBondContact O-CA 3.28Å; V259-T283 PolarHBondContact O-N 3.18Å; V259-A286 HydrophobicContact CG1-CB 3.74Å
260G86Confident86Confident11 Ų1143.5 Ų43.511%0.11330%0.295CS..  trans-129.6154.1-177.300000113.6T283 A286G260-T283 WeakPolarHBondContact CA-OG1 3.48Å; G260-A286 VanDerWaalsContact C-CB 3.5Å
261G75.2Confident85.7Confident33 Ų3341.2 Ų41.234%0.3427%0.274SS..THydrogen-bonded Turntrans-63.5157177.800000113.7R235 T283R235-G261 WeakPolarHBondContact CD-O 3.41Å; R235-G261 VanDerWaalsContact CZ-O 3.25Å; R235-G261 PolarHBondContact NE-O 2.9Å; R235-G261 PolarHBondContact NH1-O 2.97Å; G261-T283 PolarHBondContact N-OG1 3.19Å
262G72.1Confident85.3Confident78 Ų7839.3 Ų39.380%0.80426%0.26SS*.THydrogen-bonded Turntrans85.57.6173.300000117
263R70.8Confident84.6Confident110 Ų11046.9 Ų46.942%0.41529%0.288SS..SBendtrans-111.614.2169.2-68.1-170.9174.2170.64.8113.9H267R263-H267 HydrophobicContact CB-CB 3.7Å; R263-H267 WeakPolarHBondContact CD-CD2 3.31Å; R263-H267 WeakPolarHBondContact CD-NE2 3.48Å; R263-H267 PolarHBondContact NH1-NE2 3.27Å; R263-H267 VanDerWaalsContact NH1-NE2 3.13Å; R263-H267 WeakPolarHBondContact O-CB 3.49Å
264G74.8Confident83.6Confident44 Ų4455.4 Ų55.445%0.45431%0.307SS..Hα-helixtrans69.2173-177.200000113.9G266G264-G266 VanDerWaalsContact C-N 3.32Å
265V79.9Confident82.6Confident38 Ų3859.9 Ų59.923%0.2333%0.331CS..Hα-helixtrans-71.9-28.3179.6-178.80000111.8H267 I268 K269 K289V265-H267 PolarHBondContact O-N 3.1Å; V265-I268 WeakPolarHBondContact O-CB 3.37Å; V265-I268 PolarHBondContact O-N 3.34Å; V265-K269 HydrophobicContact CG1-CG 4.33Å; V265-K269 PolarHBondContact O-N 2.95Å; V265-K289 HydrophobicContact CG2-CD 3.89Å; V265-K289 HydrophobicContact CG2-CG 4.38Å
266G82.4Confident82.2Confident43 Ų4357.7 Ų57.744%0.44332%0.324SS..Hα-helixtrans-57-37.6178.300000113G264 A270 R273G264-G266 VanDerWaalsContact C-N 3.32Å; G266-A270 WeakPolarHBondContact O-CB 3.36Å; G266-A270 PolarHBondContact O-N 3.3Å; G266-R273 PolarHBondContact O-NH2 2.81Å; G266-R273 VanDerWaalsContact O-NH2 3.1Å
267H83.4Confident82Confident50 Ų5057.1 Ų57.123%0.23132%0.32CS..Hα-helixtrans-66.1-43.4174.2-176.9-79000112R263 V265 K269 A270 V271R263-H267 HydrophobicContact CB-CB 3.7Å; R263-H267 WeakPolarHBondContact CD-CD2 3.31Å; R263-H267 WeakPolarHBondContact CD-NE2 3.48Å; R263-H267 PolarHBondContact NH1-NE2 3.27Å; R263-H267 VanDerWaalsContact NH1-NE2 3.13Å; R263-H267 WeakPolarHBondContact O-CB 3.49Å; V265-H267 PolarHBondContact O-N 3.1Å; H267-K269 VanDerWaalsContact C-N 3.35Å; H267-K269 PolarHBondContact O-N 3.08Å; H267-A270 WeakPolarHBondContact O-CB 3.46Å; H267-A270 PolarHBondContact O-N 3.26Å; H267-A270 VanDerWaalsContact O-N 3.07Å; H267-V271 PolarHBondContact O-N 3.12Å
268I84.1Confident81.9Confident4 Ų456 Ų562%0.02131%0.312CS..Hα-helixtrans-57.6-51176.5-55.4176.3000109.4V259 V265 A270 V271 F272 K289 C295V259-I268 HydrophobicContact CG1-CG1 4.08Å; V259-I268 HydrophobicContact CG1-CG2 4.38Å; V265-I268 WeakPolarHBondContact O-CB 3.37Å; V265-I268 PolarHBondContact O-N 3.34Å; I268-A270 PolarHBondContact O-N 3.06Å; I268-V271 PolarHBondContact O-N 3.31Å; I268-F272 HydrophobicContact CG2-CE2 4.01Å; I268-F272 WeakPolarHBondContact O-CD2 3.24Å; I268-K289 HydrophobicContact CD1-CB 4.38Å; I268-K289 HydrophobicContact CD1-CD 4.31Å; I268-K289 HydrophobicContact CD1-CG 4.42Å; I268-C295 HydrophobicContact CG2-CB 4.16Å
269K85.3Confident82Confident110 Ų11055.3 Ų55.348%0.47831%0.308SS..Hα-helixtrans-63.2-26.4176.5-69.1-172.5175.6-168.20113.6V265 H267 R273V265-K269 HydrophobicContact CG1-CG 4.33Å; V265-K269 PolarHBondContact O-N 2.95Å; H267-K269 VanDerWaalsContact C-N 3.35Å; H267-K269 PolarHBondContact O-N 3.08Å; K269-R273 WeakPolarHBondContact O-CB 3.41Å; K269-R273 VanDerWaalsContact O-CG 3.27Å; K269-R273 WeakPolarHBondContact O-CG 3.35Å; K269-R273 PolarHBondContact O-N 3.5Å; K269-R273 PolarHBondContact O-NE 3.18Å
270A86.4Confident82.3Confident50 Ų5055.2 Ų55.241%0.41331%0.307SS..Hα-helixtrans-72.2-35.6179.500000111.8G266 H267 I268 F272 R273G266-A270 WeakPolarHBondContact O-CB 3.36Å; G266-A270 PolarHBondContact O-N 3.3Å; H267-A270 WeakPolarHBondContact O-CB 3.46Å; H267-A270 PolarHBondContact O-N 3.26Å; H267-A270 VanDerWaalsContact O-N 3.07Å; I268-A270 PolarHBondContact O-N 3.06Å; A270-F272 PolarHBondContact O-N 2.83Å; A270-R273 PolarHBondContact O-N 2.9Å
271V85.8Confident82.8Confident23 Ų2354.7 Ų54.714%0.13930%0.302CS..Hα-helixtrans-61.7-33.7179.2172.90000112.1V259 H267 I268 P277V259-V271 HydrophobicContact CG2-CB 4.18Å; V259-V271 HydrophobicContact CG2-CG1 4.11Å; V259-V271 HydrophobicContact CG2-CG2 3.97Å; H267-V271 PolarHBondContact O-N 3.12Å; I268-V271 PolarHBondContact O-N 3.31Å; V271-P277 HydrophobicContact CG1-CG 4.37Å
272F84.3Confident83.8Confident17 Ų1753.1 Ų53.18%0.07529%0.286CS..THydrogen-bonded Turntrans-100.76.6-178.7-51-67.3000113.5I226 V259 I268 A270 H276 P277 L280 C295 L296I226-F272 HydrophobicContact CD1-CD1 4.38Å; I226-F272 HydrophobicContact CD1-CE1 3.59Å; I226-F272 HydrophobicContact CD1-CZ 4.17Å; I226-F272 HydrophobicContact CG1-CE1 4.15Å; V259-F272 HydrophobicContact CG2-CE2 4.4Å; V259-F272 HydrophobicContact CG2-CZ 4.28Å; I268-F272 HydrophobicContact CG2-CE2 4.01Å; I268-F272 WeakPolarHBondContact O-CD2 3.24Å; A270-F272 PolarHBondContact O-N 2.83Å; F272-H276 PolarHBondContact O-NE2 2.91Å; F272-P277 HydrophobicContact CE1-CG 4.21Å; F272-L280 HydrophobicContact CE1-CD2 4.23Å; F272-L280 HydrophobicContact CZ-CD1 4.33Å; F272-L280 HydrophobicContact CZ-CD2 3.85Å; F272-C295 VanDerWaalsContact CD2-O 3.32Å; F272-C295 WeakPolarHBondContact CD2-O 3.42Å; F272-L296 HydrophobicContact CD2-CB 4.45Å; F272-L296 HydrophobicContact CE1-CB 4.23Å; F272-L296 HydrophobicContact CE2-CB 4.01Å; F272-L296 HydrophobicContact CE2-CD2 4.02Å; F272-L296 HydrophobicContact CZ-CB 3.89Å; F272-L296 HydrophobicContact CZ-CD1 4.38Å; F272-L296 HydrophobicContact CZ-CD2 4.25Å; F272-L296 HydrophobicContact CZ-CG 4.39Å
273R77.9Confident84.8Confident169 Ų16950 Ų5064%0.63825%0.251SS*.SBendtrans-81.7-26.3-174.5-110.7-176.9-84.7172.8-5.6113.8G266 K269 A270G266-R273 PolarHBondContact O-NH2 2.81Å; G266-R273 VanDerWaalsContact O-NH2 3.1Å; K269-R273 WeakPolarHBondContact O-CB 3.41Å; K269-R273 VanDerWaalsContact O-CG 3.27Å; K269-R273 WeakPolarHBondContact O-CG 3.35Å; K269-R273 PolarHBondContact O-N 3.5Å; K269-R273 PolarHBondContact O-NE 3.18Å; A270-R273 PolarHBondContact O-N 2.9Å
274R69.7Low85.9Confident221 Ų22144.9 Ų44.983%0.83423%0.232SC*.SBendtrans-145.3123.2178.9-66.6-177178170.8-1.9107.1
275N71.1Confident86.7Confident106 Ų10644.7 Ų44.757%0.56723%0.23SC*.SBendtrans59.586.6172-70.5-35.5000113.3R255R255-N275 VanDerWaalsContact NH1-CG 3.29Å; R255-N275 PolarHBondContact NH1-OD1 3.16Å
276H83.1Confident87.3Confident41 Ų4143.1 Ų43.119%0.1922%0.221CC..  trans-55.5136.5179.7-77.7-126.2000111.5D224 R255 F272D224-H276 VanDerWaalsContact C-CB 3.45Å; D224-H276 HydrophobicContact CB-CB 4.42Å; D224-H276 PolarHBondContact O-CE1 2.63Å; D224-H276 PolarHBondContact O-ND1 3.13Å; D224-H276 VanDerWaalsContact O-ND1 3.07Å; D224-H276 VanDerWaalsContact OD1-CB 3.28Å; D224-H276 WeakPolarHBondContact OD1-CB 3.4Å; D224-H276 IonicContact OD1-CD2 3.46Å; D224-H276 PolarHBondContact OD1-CD2 2.84Å; D224-H276 IonicContact OD1-CG 2.91Å; D224-H276 PolarHBondContact OD1-N 3.49Å; D224-H276 IonicContact OD2-CD2 3.57Å; D224-H276 PolarHBondContact OD2-CD2 3.29Å; D224-H276 VanDerWaalsContact OD2-CD2 3.25Å; D224-H276 IonicContact OD2-NE2 2.73Å; R255-H276 VanDerWaalsContact CZ-O 3.28Å; R255-H276 PolarHBondContact NE-O 3.05Å; R255-H276 PolarHBondContact NH2-O 3.14Å; F272-H276 PolarHBondContact O-NE2 2.91Å
277P90.7Very high87.8Confident0 Ų041.1 Ų41.10%020%0.2CC..  trans-69.6139.2177.329.8-34.2000110.5I226 V271 F272 I279 L280I226-P277 WeakPolarHBondContact CA-O 3.46Å; V271-P277 HydrophobicContact CG1-CG 4.37Å; F272-P277 HydrophobicContact CE1-CG 4.21Å; P277-I279 VanDerWaalsContact C-N 3.33Å; P277-L280 HydrophobicContact CG-CD1 4.45Å
278D92.3Very high88.4Confident12 Ų1238.9 Ų38.96%0.06419%0.19CC..SBendtrans-69-39.3170.2-59.7-73.4000110.6R227 A228 L254 R255R227-D278 IonicContact CZ-OD1 3.68Å; R227-D278 VanDerWaalsContact CZ-OD1 3.26Å; R227-D278 PolarHBondContact N-O 2.61Å; R227-D278 IonicContact NE-OD1 2.71Å; R227-D278 PolarHBondContact NE-OD1 3.29Å; R227-D278 VanDerWaalsContact NH2-CG 3.28Å; R227-D278 IonicContact NH2-OD1 3.73Å; R227-D278 PolarHBondContact NH2-OD1 3.12Å; A228-D278 PolarHBondContact N-O 2.94Å; L254-D278 HydrophobicContact CD2-CB 4.25Å; R255-D278 PolarHBondContact N-OD2 3.37Å; R255-D278 IonicContact NE-OD2 3.23Å; R255-D278 PolarHBondContact O-N 3Å
279I95.8Very high88.8Confident0 Ų043.3 Ų43.30%021%0.209CC..EExtended strand (participates in β ladder)trans-119.4118.9177.8-51.1-171.3000109.4V211 L214 A228 V230 C249 R255 T256 S257 P277V211-I279 HydrophobicContact CG2-CD1 3.81Å; L214-I279 HydrophobicContact CD1-CD1 3.94Å; L214-I279 HydrophobicContact CD1-CG1 3.7Å; A228-I279 HydrophobicContact CB-CG1 4.25Å; A228-I279 HydrophobicContact CB-CG2 4.42Å; A228-I279 WeakPolarHBondContact O-CA 3.44Å; V230-I279 HydrophobicContact CG2-CG2 4.42Å; C249-I279 VanDerWaalsContact SG-CD1 3.56Å; R255-I279 PolarHBondContact O-N 3.19Å; T256-I279 VanDerWaalsContact CA-O 3.29Å; T256-I279 WeakPolarHBondContact CA-O 3.47Å; T256-I279 HydrophobicContact CG2-CB 4.29Å; T256-I279 HydrophobicContact CG2-CG2 4.36Å; S257-I279 PolarHBondContact N-O 3.32Å; S257-I279 VanDerWaalsContact N-O 3.07Å; P277-I279 VanDerWaalsContact C-N 3.33Å
280L96.3Very high89.1Confident0 Ų038.1 Ų38.10%019%0.186CC..EExtended strand (participates in β ladder)trans-103.2125.4172.8-179.263.6000109.8I226 A228 L229 V230 V259 F272 P277 A282 L287 L296I226-L280 HydrophobicContact CD1-CD2 3.97Å; I226-L280 HydrophobicContact CG2-CB 3.87Å; A228-L280 PolarHBondContact O-N 3.03Å; L229-L280 CarbonylContact C-O 3.49Å; L229-L280 WeakPolarHBondContact CA-O 3.49Å; L229-L280 HydrophobicContact CD1-CB 4.19Å; L229-L280 HydrophobicContact CD1-CD2 4.06Å; L229-L280 HydrophobicContact CD1-CG 4.08Å; V230-L280 PolarHBondContact N-O 3.36Å; V259-L280 HydrophobicContact CB-CD1 4.17Å; V259-L280 HydrophobicContact CG2-CD1 3.75Å; F272-L280 HydrophobicContact CE1-CD2 4.23Å; F272-L280 HydrophobicContact CZ-CD1 4.33Å; F272-L280 HydrophobicContact CZ-CD2 3.85Å; P277-L280 HydrophobicContact CG-CD1 4.45Å; L280-A282 HydrophobicContact CG-CB 4.35Å; L280-L287 HydrophobicContact CD2-CD1 4.22Å; L280-L296 HydrophobicContact CD2-CD1 4.1Å
281V97.4Very high89.4Confident0 Ų036.3 Ų36.30%017%0.17CC..EExtended strand (participates in β ladder)trans-105.6121.8169.5-171.60000108.7V230 V232 A238 V241 A242 T256 S257 T258 V259V230-V281 HydrophobicContact CB-CG1 4.34Å; V230-V281 HydrophobicContact CB-CG2 4.28Å; V230-V281 CarbonylContact O-C 3.54Å; V230-V281 WeakPolarHBondContact O-CA 3.31Å; V232-V281 HydrophobicContact CG1-CG1 4.48Å; V232-V281 HydrophobicContact CG2-CG1 4.09Å; A238-V281 HydrophobicContact CB-CG1 3.92Å; V241-V281 HydrophobicContact CB-CG1 4.16Å; V241-V281 HydrophobicContact CG1-CG1 4.12Å; V241-V281 HydrophobicContact CG1-CG2 4.09Å; A242-V281 HydrophobicContact CB-CB 4.39Å; A242-V281 HydrophobicContact CB-CG2 4.09Å; T256-V281 HydrophobicContact CG2-CG2 4.19Å; S257-V281 PolarHBondContact O-N 2.93Å; T258-V281 CarbonylContact C-O 3.52Å; T258-V281 VanDerWaalsContact CA-O 3.23Å; T258-V281 WeakPolarHBondContact CA-O 3.29Å; T258-V281 HydrophobicContact CG2-CB 4.31Å; V259-V281 PolarHBondContact N-O 3.06Å
282A95.6Very high89.8Confident0 Ų043.2 Ų43.20%019%0.193CC..EExtended strand (participates in β ladder)trans-140.3150.5-170.600000114.8L229 V230 V231 V232 V259 L280 L287L229-A282 HydrophobicContact CD1-CB 4.18Å; V230-A282 PolarHBondContact O-N 3Å; V231-A282 WeakPolarHBondContact CA-O 3.39Å; V232-A282 PolarHBondContact N-O 3.03Å; V259-A282 HydrophobicContact CB-CB 4.2Å; V259-A282 WeakPolarHBondContact O-CA 3.28Å; L280-A282 HydrophobicContact CG-CB 4.35Å; A282-L287 HydrophobicContact CB-CB 4.18Å; A282-L287 HydrophobicContact CB-CD1 4.25Å
283T93.5Very high90.1Very high13 Ų1350.5 Ų50.58%0.0822%0.22CC..  trans-87.9143.7167.461.50000110.7V232 R235 V259 G260 G261 G285 A286 L287V232-T283 WeakPolarHBondContact O-CA 3.36Å; R235-T283 HydrophobicContact CG-CG2 3.78Å; V259-T283 PolarHBondContact O-N 3.18Å; G260-T283 WeakPolarHBondContact CA-OG1 3.48Å; G261-T283 PolarHBondContact N-OG1 3.19Å; T283-G285 PolarHBondContact O-N 3.41Å; T283-A286 PolarHBondContact O-N 2.84Å; T283-A286 VanDerWaalsContact O-N 3.1Å; T283-L287 PolarHBondContact O-N 3.22Å
284P93.5Very high90.6Very high1 Ų149.7 Ų49.71%0.00623%0.228CC..Hα-helixtrans-54.4-50-169.8-29.536000114.3V231 V232 A286 L287 V288 M312 F317 L320 I324V231-P284 HydrophobicContact CG1-CG 3.75Å; V232-P284 VanDerWaalsContact O-CD 3.29Å; V232-P284 WeakPolarHBondContact O-CD 3.35Å; P284-A286 VanDerWaalsContact C-N 3.29Å; P284-A286 PolarHBondContact O-N 3.33Å; P284-L287 WeakPolarHBondContact O-CB 3.42Å; P284-L287 PolarHBondContact O-N 2.91Å; P284-L287 VanDerWaalsContact O-N 3.14Å; P284-V288 WeakPolarHBondContact O-CG2 3.47Å; P284-V288 PolarHBondContact O-N 3.28Å; P284-M312 HydrophobicContact CB-CE 4.47Å; P284-M312 HydrophobicContact CG-CE 3.42Å; P284-M312 VanDerWaalsContact CG-CE 3.42Å; P284-M312 HydrophobicContact CG-SD 3.69Å; P284-F317 HydrophobicContact CB-CD1 4.33Å; P284-F317 HydrophobicContact CG-CD1 3.99Å; P284-F317 HydrophobicContact CG-CE1 4.46Å; P284-L320 HydrophobicContact CB-CB 3.93Å; P284-L320 HydrophobicContact CB-CD1 4.08Å; P284-I324 HydrophobicContact CB-CD1 4Å
285G92.2Very high91.5Very high40 Ų4040.1 Ų40.141%0.41220%0.195SC..Hα-helixtrans-63.3-33-177.400000113.8T283 K289T283-G285 PolarHBondContact O-N 3.41Å; G285-K289 VanDerWaalsContact O-CB 3.28Å; G285-K289 WeakPolarHBondContact O-CB 3.2Å; G285-K289 PolarHBondContact O-N 3.46Å
286A91.8Very high92.4Very high5 Ų536 Ų364%0.04117%0.173CC..Hα-helixtrans-75.5-36.817600000111.8V259 G260 T283 P284 K289 G290V259-A286 HydrophobicContact CG1-CB 3.74Å; G260-A286 VanDerWaalsContact C-CB 3.5Å; T283-A286 PolarHBondContact O-N 2.84Å; T283-A286 VanDerWaalsContact O-N 3.1Å; P284-A286 VanDerWaalsContact C-N 3.29Å; P284-A286 PolarHBondContact O-N 3.33Å; A286-K289 PolarHBondContact O-N 3.45Å; A286-G290 PolarHBondContact O-N 3.17Å
287L94.4Very high92.6Very high1 Ų138.9 Ų38.91%0.00519%0.19CC..Hα-helixtrans-65.2-52.8177.2-174.765.3000111.2L229 V231 L280 A282 T283 P284 K289 G290 L291 L296 I324L229-L287 HydrophobicContact CD1-CD1 4.22Å; L229-L287 HydrophobicContact CD1-CD2 4.08Å; L229-L287 HydrophobicContact CD2-CD1 4.3Å; L229-L287 HydrophobicContact CD2-CD2 3.47Å; L229-L287 VanDerWaalsContact CD2-CD2 3.47Å; L229-L287 HydrophobicContact CG-CD2 4.32Å; V231-L287 HydrophobicContact CG2-CD2 4.13Å; L280-L287 HydrophobicContact CD2-CD1 4.22Å; A282-L287 HydrophobicContact CB-CB 4.18Å; A282-L287 HydrophobicContact CB-CD1 4.25Å; T283-L287 PolarHBondContact O-N 3.22Å; P284-L287 WeakPolarHBondContact O-CB 3.42Å; P284-L287 PolarHBondContact O-N 2.91Å; P284-L287 VanDerWaalsContact O-N 3.14Å; L287-K289 VanDerWaalsContact C-N 3.27Å; L287-K289 PolarHBondContact O-N 2.65Å; L287-G290 CarbonylContact O-C 3.59Å; L287-G290 WeakPolarHBondContact O-CA 3.42Å; L287-G290 PolarHBondContact O-N 3.17Å; L287-L291 HydrophobicContact CG-CD1 4.44Å; L287-L291 WeakPolarHBondContact O-CG 3.45Å; L287-L291 PolarHBondContact O-N 3.23Å; L287-L296 HydrophobicContact CD1-CD1 3.54Å; L287-I324 HydrophobicContact CB-CD1 4.44Å; L287-I324 HydrophobicContact CD2-CB 4.38Å; L287-I324 HydrophobicContact CD2-CD1 3.7Å; L287-I324 HydrophobicContact CD2-CG1 3.71Å; L287-I324 HydrophobicContact CD2-CG2 3.71Å; L287-I324 HydrophobicContact CG-CD1 4.41Å; L287-I324 HydrophobicContact CG-CG1 4.25Å
288V94.8Very high92.7Very high4 Ų438.9 Ų38.92%0.02419%0.19CC..Hα-helixtrans-55-43.5174.9166.90000111.2P284 G290 L291 R292 L320 E323 I324P284-V288 WeakPolarHBondContact O-CG2 3.47Å; P284-V288 PolarHBondContact O-N 3.28Å; V288-G290 VanDerWaalsContact C-N 3.27Å; V288-G290 PolarHBondContact O-N 3.14Å; V288-L291 PolarHBondContact O-N 3.34Å; V288-R292 HydrophobicContact CG1-CG 4.33Å; V288-R292 WeakPolarHBondContact O-CG 3.42Å; V288-R292 PolarHBondContact O-N 3.46Å; V288-L320 HydrophobicContact CB-CD2 4.24Å; V288-L320 HydrophobicContact CG1-CD2 4.19Å; V288-L320 HydrophobicContact CG2-CB 4.21Å; V288-L320 HydrophobicContact CG2-CD2 3.98Å; V288-E323 WeakPolarHBondContact CG1-OE1 3.37Å; V288-E323 WeakPolarHBondContact CG1-OE2 3.38Å; V288-E323 HydrophobicContact CG2-CB 4.5Å; V288-I324 HydrophobicContact CG2-CD1 4.08Å; V288-I324 HydrophobicContact CG2-CG1 3.8Å
289K93.4Very high92.5Very high97 Ų9740.8 Ų40.842%0.42220%0.204SC..Hα-helixtrans-61.5-36.5175.6-169.1177.4-162-178.50112.6V265 I268 G285 A286 L287 R293V265-K289 HydrophobicContact CG2-CD 3.89Å; V265-K289 HydrophobicContact CG2-CG 4.38Å; I268-K289 HydrophobicContact CD1-CB 4.38Å; I268-K289 HydrophobicContact CD1-CD 4.31Å; I268-K289 HydrophobicContact CD1-CG 4.42Å; G285-K289 VanDerWaalsContact O-CB 3.28Å; G285-K289 WeakPolarHBondContact O-CB 3.2Å; G285-K289 PolarHBondContact O-N 3.46Å; A286-K289 PolarHBondContact O-N 3.45Å; L287-K289 VanDerWaalsContact C-N 3.27Å; L287-K289 PolarHBondContact O-N 2.65Å; K289-R293 WeakPolarHBondContact O-CB 3.43Å; K289-R293 WeakPolarHBondContact O-CG 3.41Å; K289-R293 PolarHBondContact O-N 3.25Å
290G92Very high92.2Very high0 Ų045.3 Ų45.30%023%0.225CC..Hα-helixtrans-67.2-44.2174.400000112.3A286 L287 V288 R293 N294 C295A286-G290 PolarHBondContact O-N 3.17Å; L287-G290 CarbonylContact O-C 3.59Å; L287-G290 WeakPolarHBondContact O-CA 3.42Å; L287-G290 PolarHBondContact O-N 3.17Å; V288-G290 VanDerWaalsContact C-N 3.27Å; V288-G290 PolarHBondContact O-N 3.14Å; G290-R293 CarbonylContact O-C 3.52Å; G290-R293 PolarHBondContact O-N 3.18Å; G290-N294 PolarHBondContact O-N 3.47Å; G290-C295 WeakPolarHBondContact O-CB 3.19Å; G290-C295 PolarHBondContact O-N 2.91Å
291L92.6Very high92Very high13 Ų1345.3 Ų45.37%0.06823%0.225CC..Hα-helixtrans-60.9-53.2177.4-66.1170.6000111.5L287 V288 R293 N294 L296 L298 I324L287-L291 HydrophobicContact CG-CD1 4.44Å; L287-L291 WeakPolarHBondContact O-CG 3.45Å; L287-L291 PolarHBondContact O-N 3.23Å; V288-L291 PolarHBondContact O-N 3.34Å; L291-R293 PolarHBondContact O-N 3.06Å; L291-N294 PolarHBondContact O-N 3.48Å; L291-N294 PolarHBondContact O-OD1 2.94Å; L291-L296 HydrophobicContact CD2-CD1 4.25Å; L291-L296 HydrophobicContact CD2-CG 4.07Å; L291-L298 HydrophobicContact CD1-CD1 3.94Å; L291-L298 HydrophobicContact CD2-CD1 3.83Å; L291-L298 HydrophobicContact CD2-CG 3.78Å; L291-L298 HydrophobicContact CG-CD1 4.45Å; L291-I324 HydrophobicContact CD1-CG1 4.44Å
292R93.5Very high91.9Very high168 Ų16845.8 Ų45.863%0.63423%0.228SC*.THydrogen-bonded Turntrans-61-19.4178.7-67.3179.7-176-177.91.5114.1V288 E323V288-R292 HydrophobicContact CG1-CG 4.33Å; V288-R292 WeakPolarHBondContact O-CG 3.42Å; V288-R292 PolarHBondContact O-N 3.46Å; R292-E323 WeakPolarHBondContact CG-OE1 3.33Å; R292-E323 IonicContact CZ-OE1 2.82Å; R292-E323 IonicContact CZ-OE2 3.47Å; R292-E323 IonicContact NE-OE1 3.38Å; R292-E323 PolarHBondContact NE-OE1 3.37Å; R292-E323 IonicContact NE-OE2 3.54Å; R292-E323 PolarHBondContact NE-OE2 3.06Å; R292-E323 IonicContact NH2-OE1 2.9Å; R292-E323 IonicContact NH2-OE2 3.61Å; R292-E323 PolarHBondContact NH2-OE2 3.48Å
293R90.6Very high92Very high170 Ų17045.8 Ų45.864%0.64223%0.228SC*.THydrogen-bonded Turntrans-103.210178.1-65.5-70.5-172.7165.6-0.1112.2K289 G290 L291 C295K289-R293 WeakPolarHBondContact O-CB 3.43Å; K289-R293 WeakPolarHBondContact O-CG 3.41Å; K289-R293 PolarHBondContact O-N 3.25Å; G290-R293 CarbonylContact O-C 3.52Å; G290-R293 PolarHBondContact O-N 3.18Å; L291-R293 PolarHBondContact O-N 3.06Å; R293-C295 PolarHBondContact O-N 2.84Å; R293-C295 VanDerWaalsContact O-N 3.17Å; R293-C295 PolarHBondContact O-SG 3.02Å
294N89.3Confident92.2Very high151 Ų15145.1 Ų45.181%0.80722%0.224SC*.THydrogen-bonded Turntrans49.339.1-177.6-58.6-29.1000112.6G290 L291G290-N294 PolarHBondContact O-N 3.47Å; L291-N294 PolarHBondContact O-N 3.48Å; L291-N294 PolarHBondContact O-OD1 2.94Å
295C87.6Confident92.4Very high21 Ų2145.1 Ų45.114%0.14222%0.224CC..SBendtrans-87.1-17178.8-65.60000112.9I268 F272 G290 R293I268-C295 HydrophobicContact CG2-CB 4.16Å; F272-C295 VanDerWaalsContact CD2-O 3.32Å; F272-C295 WeakPolarHBondContact CD2-O 3.42Å; G290-C295 WeakPolarHBondContact O-CB 3.19Å; G290-C295 PolarHBondContact O-N 2.91Å; R293-C295 PolarHBondContact O-N 2.84Å; R293-C295 VanDerWaalsContact O-N 3.17Å; R293-C295 PolarHBondContact O-SG 3.02Å
296L89.3Confident92.7Very high20 Ų2043.2 Ų43.211%0.10520%0.204CC..  trans-152.6162.917766.8144.6000110I226 F272 L280 L287 L291 L298I226-L296 HydrophobicContact CD1-CB 3.89Å; I226-L296 HydrophobicContact CD1-CD1 3.86Å; F272-L296 HydrophobicContact CD2-CB 4.45Å; F272-L296 HydrophobicContact CE1-CB 4.23Å; F272-L296 HydrophobicContact CE2-CB 4.01Å; F272-L296 HydrophobicContact CE2-CD2 4.02Å; F272-L296 HydrophobicContact CZ-CB 3.89Å; F272-L296 HydrophobicContact CZ-CD1 4.38Å; F272-L296 HydrophobicContact CZ-CD2 4.25Å; F272-L296 HydrophobicContact CZ-CG 4.39Å; L280-L296 HydrophobicContact CD2-CD1 4.1Å; L287-L296 HydrophobicContact CD1-CD1 3.54Å; L291-L296 HydrophobicContact CD2-CD1 4.25Å; L291-L296 HydrophobicContact CD2-CG 4.07Å; L296-L298 HydrophobicContact CD1-CD2 3.65Å; L296-L298 HydrophobicContact CD1-CG 4.37Å
297D89.1Confident92.8Very high100 Ų10043.3 Ų43.354%0.53520%0.204SC..  trans-126.6143174.6-174.213.1000110S299D297-S299 VanDerWaalsContact CG-OG 3.23Å; D297-S299 WeakPolarHBondContact OD1-CB 3.45Å; D297-S299 PolarHBondContact OD1-N 3.4Å; D297-S299 PolarHBondContact OD1-OG 2.9Å; D297-S299 PolarHBondContact OD2-OG 3.21Å
298L92.6Very high92.7Very high1 Ų144 Ų441%0.00521%0.207CC..  trans-114.52.4179.9-55.5-178.5000112.6L229 L291 L296 E300 L301 I324 H327L229-L298 HydrophobicContact CD2-CD1 3.91Å; L229-L298 HydrophobicContact CD2-CD2 3.88Å; L291-L298 HydrophobicContact CD1-CD1 3.94Å; L291-L298 HydrophobicContact CD2-CD1 3.83Å; L291-L298 HydrophobicContact CD2-CG 3.78Å; L291-L298 HydrophobicContact CG-CD1 4.45Å; L296-L298 HydrophobicContact CD1-CD2 3.65Å; L296-L298 HydrophobicContact CD1-CG 4.37Å; L298-E300 VanDerWaalsContact C-N 3.26Å; L298-E300 PolarHBondContact O-N 3.37Å; L298-L301 HydrophobicContact CB-CD1 3.84Å; L298-L301 HydrophobicContact CB-CG 4.18Å; L298-L301 HydrophobicContact CD2-CD1 4Å; L298-L301 HydrophobicContact CD2-CG 4.35Å; L298-L301 HydrophobicContact CG-CD1 4.33Å; L298-L301 WeakPolarHBondContact O-CG 3.33Å; L298-L301 PolarHBondContact O-N 3.15Å; L298-I324 HydrophobicContact CD1-CG2 4.25Å; L298-H327 CarbonylContact C-O 3.5Å; L298-H327 HydrophobicContact CB-CB 4.42Å; L298-H327 HydrophobicContact CD1-CB 4.33Å
299S88.4Confident92.5Very high51 Ų5143.9 Ų43.936%0.35721%0.206SC..THydrogen-bonded Turntrans-60.9-31.4-175.366.60000114.1D297D297-S299 VanDerWaalsContact CG-OG 3.23Å; D297-S299 WeakPolarHBondContact OD1-CB 3.45Å; D297-S299 PolarHBondContact OD1-N 3.4Å; D297-S299 PolarHBondContact OD1-OG 2.9Å; D297-S299 PolarHBondContact OD2-OG 3.21Å
300E87.9Confident92.1Very high95 Ų9539.7 Ų39.744%0.44419%0.189SC..THydrogen-bonded Turntrans-106.319.1-176.3-58.3-167.6147.500114R225 L298 N302 H342R225-E300 WeakPolarHBondContact CD-OE2 3.36Å; R225-E300 IonicContact CZ-OE2 3.9Å; R225-E300 IonicContact NE-OE2 3.26Å; R225-E300 VanDerWaalsContact NH1-CD 3.35Å; R225-E300 IonicContact NH1-OE1 3.04Å; R225-E300 IonicContact NH1-OE2 3.94Å; R225-E300 PolarHBondContact NH1-OE2 3.47Å; L298-E300 VanDerWaalsContact C-N 3.26Å; L298-E300 PolarHBondContact O-N 3.37Å; E300-N302 PolarHBondContact O-N 3.19Å; E300-H342 PolarHBondContact O-NE2 3.29Å
301L93.4Very high91.8Very high1 Ų139.9 Ų39.91%0.00519%0.19CC..  trans-59.6138.3177.4-78.8179.2000111.7I226 L229 L298 A328 H342 T344I226-L301 HydrophobicContact CB-CD2 4.42Å; I226-L301 HydrophobicContact CG2-CD2 3.88Å; L229-L301 HydrophobicContact CB-CD1 3.93Å; L229-L301 HydrophobicContact CB-CD2 3.99Å; L229-L301 HydrophobicContact CD2-CD1 4.28Å; L298-L301 HydrophobicContact CB-CD1 3.84Å; L298-L301 HydrophobicContact CB-CG 4.18Å; L298-L301 HydrophobicContact CD2-CD1 4Å; L298-L301 HydrophobicContact CD2-CG 4.35Å; L298-L301 HydrophobicContact CG-CD1 4.33Å; L298-L301 WeakPolarHBondContact O-CG 3.33Å; L298-L301 PolarHBondContact O-N 3.15Å; L301-A328 HydrophobicContact CD1-CB 4.34Å; L301-H342 PolarHBondContact O-CD2 3.08Å; L301-H342 PolarHBondContact O-NE2 3.15Å; L301-T344 HydrophobicContact CB-CG2 3.95Å; L301-T344 VanDerWaalsContact CB-OG1 3.29Å; L301-T344 WeakPolarHBondContact CB-OG1 3.48Å; L301-T344 PolarHBondContact O-OG1 3.47Å
302N94.9Very high91.6Very high9 Ų939.3 Ų39.35%0.04819%0.187CC..SBendtrans-84.7-36.2165.3-62.8100.3000110.7L214 R227 E300 H342 Q345L214-N302 HydrophobicContact CD2-CB 4.38Å; R227-N302 WeakPolarHBondContact O-CA 3.21Å; R227-N302 WeakPolarHBondContact O-CB 3.46Å; R227-N302 PolarHBondContact O-N 3.16Å; E300-N302 PolarHBondContact O-N 3.19Å; N302-H342 PolarHBondContact ND2-CD2 3.14Å; N302-H342 PolarHBondContact ND2-CE1 2.92Å; N302-H342 PolarHBondContact ND2-NE2 3.46Å; N302-H342 VanDerWaalsContact ND2-NE2 3.11Å; N302-Q345 PolarHBondContact O-N 3.45Å
303F97.6Very high91.3Very high0 Ų031.6 Ų31.60%016%0.158CC..EExtended strand (participates in β ladder)trans-137.8135.9-175.3-57.5-88000112.5V210 R213 L214 R227 A228 L229 Q345V210-F303 HydrophobicContact CB-CD2 4.49Å; V210-F303 HydrophobicContact CB-CG 4.49Å; V210-F303 HydrophobicContact CG1-CB 4.49Å; V210-F303 HydrophobicContact CG1-CD2 3.95Å; V210-F303 HydrophobicContact CG1-CE2 4.4Å; V210-F303 HydrophobicContact CG1-CG 4.19Å; V210-F303 HydrophobicContact CG2-CB 4.19Å; V210-F303 HydrophobicContact CG2-CD1 3.73Å; V210-F303 HydrophobicContact CG2-CD2 4.27Å; V210-F303 HydrophobicContact CG2-CE1 4.12Å; V210-F303 HydrophobicContact CG2-CG 3.8Å; R213-F303 HydrophobicContact CB-CE2 4Å; R213-F303 HydrophobicContact CB-CZ 3.61Å; R213-F303 HydrophobicContact CG-CZ 4.14Å; L214-F303 HydrophobicContact CD2-CD2 4.27Å; L214-F303 HydrophobicContact CD2-CE2 4.16Å; L214-F303 HydrophobicContact CG-CE2 4.41Å; R227-F303 PolarHBondContact O-N 3.05Å; A228-F303 WeakPolarHBondContact CA-O 3.08Å; A228-F303 HydrophobicContact CB-CB 4.04Å; A228-F303 HydrophobicContact CB-CD2 4.35Å; L229-F303 PolarHBondContact N-O 3.01Å; F303-Q345 WeakPolarHBondContact CA-O 3.31Å; F303-Q345 HydrophobicContact CD1-CB 4.03Å; F303-Q345 HydrophobicContact CE1-CB 4.34Å
304L98Very high90.8Very high0 Ų026.7 Ų26.70%014%0.144CC..EExtended strand (participates in β ladder)trans-121.2116.8164.517966.6000108.9L229 V231 I324 L325 A328 I330 T344 Q345 L346 L347L229-L304 HydrophobicContact CB-CD1 3.92Å; L229-L304 HydrophobicContact CD2-CD1 3.43Å; L229-L304 VanDerWaalsContact CD2-CD1 3.43Å; L229-L304 HydrophobicContact CG-CD1 3.67Å; L229-L304 WeakPolarHBondContact O-CA 3.44Å; V231-L304 HydrophobicContact CG2-CD1 3.92Å; L304-I324 HydrophobicContact CD1-CG2 4.42Å; L304-L325 HydrophobicContact CD2-CD2 3.45Å; L304-L325 VanDerWaalsContact CD2-CD2 3.45Å; L304-L325 HydrophobicContact CD2-CG 4.42Å; L304-A328 HydrophobicContact CD2-CB 3.88Å; L304-I330 HydrophobicContact CB-CD1 4.46Å; L304-I330 HydrophobicContact CD2-CD1 4.02Å; L304-T344 HydrophobicContact CB-CG2 3.59Å; L304-Q345 PolarHBondContact N-O 3.46Å; L304-L346 HydrophobicContact CB-CD1 4.32Å; L304-L346 HydrophobicContact CD2-CD1 3.97Å; L304-L346 HydrophobicContact CG-CD1 4.13Å; L304-L346 WeakPolarHBondContact O-CA 3.23Å; L304-L347 PolarHBondContact O-N 2.97Å
305V98.2Very high90.2Very high1 Ų127.5 Ų27.51%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-106.9132.1176.2-172.30000109.2Y206 L229 V230 V231 L347 I349Y206-V305 HydrophobicContact CD1-CG1 4.08Å; Y206-V305 HydrophobicContact CD2-CB 4.36Å; Y206-V305 HydrophobicContact CD2-CG1 3.77Å; Y206-V305 HydrophobicContact CD2-CG2 3.95Å; Y206-V305 HydrophobicContact CE1-CG1 4.16Å; Y206-V305 HydrophobicContact CE2-CG1 3.91Å; Y206-V305 HydrophobicContact CE2-CG2 4.47Å; Y206-V305 HydrophobicContact CG-CG1 3.86Å; Y206-V305 HydrophobicContact CG-CG2 4.49Å; L229-V305 PolarHBondContact O-N 3.5Å; V230-V305 HydrophobicContact CB-CB 4.34Å; V230-V305 HydrophobicContact CG1-CB 4.11Å; V230-V305 HydrophobicContact CG1-CG1 4.23Å; V230-V305 HydrophobicContact CG2-CB 4.12Å; V230-V305 HydrophobicContact CG2-CG2 4.2Å; V231-V305 PolarHBondContact N-O 3.1Å; V305-L347 CarbonylContact C-O 3.56Å; V305-L347 VanDerWaalsContact CA-O 3.28Å; V305-L347 WeakPolarHBondContact CA-O 3.42Å; V305-L347 HydrophobicContact CG1-CB 4.34Å; V305-L347 HydrophobicContact CG2-CB 4.17Å; V305-L347 HydrophobicContact CG2-CD1 4.08Å; V305-L347 HydrophobicContact CG2-CG 4.49Å; V305-I349 HydrophobicContact CG1-CG1 4.07Å
306V97.1Very high89.9Confident0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-113.6106.5168.4-174.50000107.3M312 F313 L321 L347 L348 I349V306-M312 HydrophobicContact CG1-CB 3.62Å; V306-M312 HydrophobicContact CG1-CE 4.21Å; V306-M312 HydrophobicContact CG1-CG 3.82Å; V306-F313 HydrophobicContact CG1-CE2 4.24Å; V306-L321 HydrophobicContact CG1-CD1 4.33Å; V306-L321 HydrophobicContact CG1-CD2 4.26Å; V306-L321 HydrophobicContact CG2-CD1 3.89Å; V306-L347 PolarHBondContact N-O 3.37Å; V306-L348 HydrophobicContact CB-CD2 3.64Å; V306-L348 HydrophobicContact CG1-CD2 4.5Å; V306-L348 HydrophobicContact CG2-CD2 3.62Å; V306-I349 PolarHBondContact O-N 2.94Å
307D94.9Very high89.7Confident6 Ų632.2 Ų32.23%0.03218%0.177CC..EExtended strand (participates in β ladder)trans-98.3151.5-179.8-159.60.7000110.6Y206 V231 V232 A309 M312 I349Y206-D307 HydrophobicContact CE1-CB 4.43Å; Y206-D307 WeakPolarHBondContact CE1-OD2 3.42Å; Y206-D307 PolarHBondContact OH-OD2 3.36Å; V231-D307 PolarHBondContact O-N 3.32Å; V232-D307 HydrophobicContact CG1-CB 3.99Å; D307-A309 VanDerWaalsContact C-N 3.29Å; D307-M312 WeakPolarHBondContact O-CG 3.48Å; D307-I349 CarbonylContact C-O 3.41Å
308E90.8Very high89.6Confident16 Ų1628.6 Ų28.68%0.07516%0.16CC..SBendtrans50.149.2-163.2-57.7-86.1-144.700111.3P233 L237 D310 T311 M312 I349 G477P233-E308 HydrophobicContact CG-CB 3.78Å; P233-E308 HydrophobicContact CG-CG 4.06Å; L237-E308 HydrophobicContact CD2-CG 3.55Å; E308-D310 PolarHBondContact O-N 3.42Å; E308-D310 VanDerWaalsContact O-N 3.15Å; E308-T311 WeakPolarHBondContact O-CB 3.32Å; E308-T311 PolarHBondContact O-N 3.49Å; E308-M312 PolarHBondContact O-N 3.41Å; E308-I349 PolarHBondContact N-O 2.88Å; E308-G477 VanDerWaalsContact OE1-CA 3.25Å; E308-G477 WeakPolarHBondContact OE1-CA 3.46Å; E308-G477 PolarHBondContact OE1-N 3.27Å
309A90.8Very high89.5Confident1 Ų134.8 Ų34.81%0.00819%0.193CC..Hα-helixtrans-51.3-38-177.200000112.5D307 T311 M312 F313 I349 P354D307-A309 VanDerWaalsContact C-N 3.29Å; A309-T311 PolarHBondContact O-N 3.42Å; A309-M312 PolarHBondContact O-N 2.91Å; A309-M312 VanDerWaalsContact O-N 3.1Å; A309-F313 HydrophobicContact CB-CD2 4.27Å; A309-F313 HydrophobicContact CB-CE2 4.25Å; A309-F313 VanDerWaalsContact O-CD2 3.24Å; A309-F313 WeakPolarHBondContact O-CD2 3.2Å; A309-F313 PolarHBondContact O-N 3.1Å; A309-I349 WeakPolarHBondContact CB-O 3.21Å; A309-I349 PolarHBondContact N-O 3.44Å; A309-P354 HydrophobicContact CB-CG 3.73Å; A309-P354 WeakPolarHBondContact O-CB 3.48Å
310D85.4Confident89.8Confident9 Ų934.7 Ų34.75%0.04819%0.189CC..Hα-helixtrans-54.2-36.5173.851.8-76.2000113.8E308 G350 A351 T352 H500E308-D310 PolarHBondContact O-N 3.42Å; E308-D310 VanDerWaalsContact O-N 3.15Å; D310-G350 WeakPolarHBondContact OD1-CA 3.47Å; D310-A351 PolarHBondContact OD1-N 3.4Å; D310-T352 WeakPolarHBondContact CB-OG1 3.25Å; D310-H500 IonicContact OD2-CE1 2.82Å; D310-H500 PolarHBondContact OD2-CE1 2.78Å; D310-H500 IonicContact OD2-ND1 3.98Å; D310-H500 IonicContact OD2-NE2 3.61Å
311T86.1Confident90Very high5 Ų530.2 Ų30.23%0.03117%0.167CC..Hα-helixtrans-84.9-36.1173.5-61.80000112P233 E308 A309 F313 D314 F317 R476P233-T311 HydrophobicContact CB-CG2 3.83Å; P233-T311 HydrophobicContact CG-CG2 4.36Å; E308-T311 WeakPolarHBondContact O-CB 3.32Å; E308-T311 PolarHBondContact O-N 3.49Å; A309-T311 PolarHBondContact O-N 3.42Å; T311-F313 VanDerWaalsContact C-N 3.3Å; T311-F313 PolarHBondContact O-N 3.42Å; T311-D314 WeakPolarHBondContact O-CB 3.39Å; T311-D314 PolarHBondContact O-N 2.82Å; T311-F317 HydrophobicContact CG2-CD2 4.34Å; T311-F317 HydrophobicContact CG2-CE2 3.98Å; T311-F317 WeakPolarHBondContact O-CD2 3.49Å; T311-R476 VanDerWaalsContact CG2-NH1 3.33Å; T311-R476 WeakPolarHBondContact OG1-CD 3.4Å; T311-R476 PolarHBondContact OG1-NH1 3.21Å
312M88.8Confident90Very high0 Ų031.4 Ų31.40%018%0.176CC..Hα-helixtrans-71-21.4-173.6-81.3-64.4-49.700114.4V231 P233 P284 V306 D307 E308 A309 F317 L321V231-M312 HydrophobicContact CG1-CE 3.59Å; V231-M312 HydrophobicContact CG1-SD 4.32Å; P233-M312 HydrophobicContact CB-SD 4.19Å; P284-M312 HydrophobicContact CB-CE 4.47Å; P284-M312 HydrophobicContact CG-CE 3.42Å; P284-M312 VanDerWaalsContact CG-CE 3.42Å; P284-M312 HydrophobicContact CG-SD 3.69Å; V306-M312 HydrophobicContact CG1-CB 3.62Å; V306-M312 HydrophobicContact CG1-CE 4.21Å; V306-M312 HydrophobicContact CG1-CG 3.82Å; D307-M312 WeakPolarHBondContact O-CG 3.48Å; E308-M312 PolarHBondContact O-N 3.41Å; A309-M312 PolarHBondContact O-N 2.91Å; A309-M312 VanDerWaalsContact O-N 3.1Å; M312-F317 HydrophobicContact CE-CB 4.45Å; M312-F317 VanDerWaalsContact O-CB 3.25Å; M312-F317 WeakPolarHBondContact O-CB 3.39Å; M312-F317 HydrophobicContact SD-CG 4.41Å; M312-L321 HydrophobicContact CE-CB 4.4Å; M312-L321 HydrophobicContact CE-CD1 4.07Å; M312-L321 HydrophobicContact CE-CD2 4.37Å
313F86.3Confident90Very high7 Ų733 Ų333%0.03118%0.183CC..THydrogen-bonded Turntrans-97.80.5175.7-75.2-101.7000113.4V306 A309 T311 L321 L348 P354 D355 V357 V360 L361V306-F313 HydrophobicContact CG1-CE2 4.24Å; A309-F313 HydrophobicContact CB-CD2 4.27Å; A309-F313 HydrophobicContact CB-CE2 4.25Å; A309-F313 VanDerWaalsContact O-CD2 3.24Å; A309-F313 WeakPolarHBondContact O-CD2 3.2Å; A309-F313 PolarHBondContact O-N 3.1Å; T311-F313 VanDerWaalsContact C-N 3.3Å; T311-F313 PolarHBondContact O-N 3.42Å; F313-L321 HydrophobicContact CD1-CD2 4.15Å; F313-L321 HydrophobicContact CD2-CD2 3.81Å; F313-L321 HydrophobicContact CE1-CD2 3.94Å; F313-L321 HydrophobicContact CE2-CD2 3.59Å; F313-L321 HydrophobicContact CG-CD2 4.12Å; F313-L321 HydrophobicContact CZ-CD2 3.67Å; F313-L348 HydrophobicContact CE2-CD2 4.06Å; F313-L348 HydrophobicContact CZ-CD1 4.12Å; F313-L348 HydrophobicContact CZ-CD2 4.03Å; F313-P354 HydrophobicContact CB-CB 3.86Å; F313-P354 HydrophobicContact CD2-CB 4.19Å; F313-P354 HydrophobicContact CD2-CG 4.31Å; F313-P354 HydrophobicContact CG-CB 4.18Å; F313-D355 WeakPolarHBondContact CB-O 3.33Å; F313-V357 HydrophobicContact CD1-CB 4.28Å; F313-V357 HydrophobicContact CD1-CG2 3.97Å; F313-V357 HydrophobicContact CD2-CG2 4.4Å; F313-V357 HydrophobicContact CE1-CB 4.28Å; F313-V357 HydrophobicContact CE1-CG1 4.18Å; F313-V357 HydrophobicContact CE1-CG2 4.21Å; F313-V357 HydrophobicContact CG-CG2 4.05Å; F313-V357 HydrophobicContact CZ-CG1 4.41Å; F313-V360 HydrophobicContact CD1-CB 4.08Å; F313-V360 HydrophobicContact CD1-CG1 4.49Å; F313-V360 HydrophobicContact CD1-CG2 4.12Å; F313-V360 HydrophobicContact CE1-CB 3.84Å; F313-V360 HydrophobicContact CE1-CG1 4Å; F313-V360 HydrophobicContact CE1-CG2 4.38Å; F313-L361 HydrophobicContact CE1-CD2 4.28Å; F313-L361 HydrophobicContact CE1-CG 4.14Å; F313-L361 HydrophobicContact CZ-CD2 4.11Å; F313-L361 HydrophobicContact CZ-CG 4.26Å
314D80.9Confident89.9Confident66 Ų6633 Ų3335%0.35318%0.183SC..SBendtrans-62.8157.6169.7-75.2-26000110.9T311 S316 F317 S318 R476T311-D314 WeakPolarHBondContact O-CB 3.39Å; T311-D314 PolarHBondContact O-N 2.82Å; D314-S316 PolarHBondContact O-N 3.4Å; D314-F317 PolarHBondContact O-N 3.28Å; D314-S318 PolarHBondContact O-N 3.24Å; D314-R476 IonicContact OD2-NH1 2.84Å
315L75.5Confident89.7Confident169 Ų16933 Ų3389%0.88518%0.183SC*.THydrogen-bonded Turntrans-51-27.1-179-68.3172.6000114F317L315-F317 VanDerWaalsContact C-N 3.32Å; L315-F317 PolarHBondContact O-N 3.03Å
316S81Confident89.5Confident97 Ų9737 Ų3768%0.67821%0.211SC*.THydrogen-bonded Turntrans-70.6-25.1179.7-61.90000114D314D314-S316 PolarHBondContact O-N 3.4Å
317F86Confident89.3Confident42 Ų4241.1 Ų41.118%0.18423%0.23CC..THydrogen-bonded Turntrans-122.2-18.5-174.2-65.3-70.8000113.7P233 P284 T311 M312 D314 L315 D319 L320 L321P233-F317 HydrophobicContact CB-CE2 4.4Å; P233-F317 HydrophobicContact CB-CZ 4.4Å; P284-F317 HydrophobicContact CB-CD1 4.33Å; P284-F317 HydrophobicContact CG-CD1 3.99Å; P284-F317 HydrophobicContact CG-CE1 4.46Å; T311-F317 HydrophobicContact CG2-CD2 4.34Å; T311-F317 HydrophobicContact CG2-CE2 3.98Å; T311-F317 WeakPolarHBondContact O-CD2 3.49Å; M312-F317 HydrophobicContact CE-CB 4.45Å; M312-F317 VanDerWaalsContact O-CB 3.25Å; M312-F317 WeakPolarHBondContact O-CB 3.39Å; M312-F317 HydrophobicContact SD-CG 4.41Å; D314-F317 PolarHBondContact O-N 3.28Å; L315-F317 VanDerWaalsContact C-N 3.32Å; L315-F317 PolarHBondContact O-N 3.03Å; F317-D319 VanDerWaalsContact C-N 3.34Å; F317-D319 PolarHBondContact O-N 3.21Å; F317-L320 WeakPolarHBondContact O-CB 3.44Å; F317-L320 PolarHBondContact O-N 3.12Å; F317-L321 PolarHBondContact O-N 2.93Å
318S87.4Confident89.2Confident24 Ų2440.9 Ų40.917%0.16823%0.229CC..Hα-helixtrans-51.1-47-173.4-173.80000113.6D314 L321 S322 V360D314-S318 PolarHBondContact O-N 3.24Å; S318-L321 PolarHBondContact O-N 3.4Å; S318-S322 WeakPolarHBondContact O-CB 3.39Å; S318-S322 PolarHBondContact O-N 3.14Å; S318-V360 VanDerWaalsContact OG-CG2 3.23Å; S318-V360 WeakPolarHBondContact OG-CG2 3.42Å
319D90.8Very high89.3Confident132 Ų13243.9 Ų43.971%0.70625%0.245SC*.Hα-helixtrans-65.3-43.2179.2-68.2-25.6000112.4F317 L321 S322 E323F317-D319 VanDerWaalsContact C-N 3.34Å; F317-D319 PolarHBondContact O-N 3.21Å; D319-L321 VanDerWaalsContact C-N 3.3Å; D319-L321 PolarHBondContact O-N 3.28Å; D319-S322 PolarHBondContact O-N 3.47Å; D319-E323 PolarHBondContact O-N 3.36Å
320L93.6Very high89.4Confident49 Ų4944.3 Ų44.326%0.25725%0.247SC..Hα-helixtrans-63.5-40.3177.1-63.1173.8000110.8P284 V288 F317 E323 I324P284-L320 HydrophobicContact CB-CB 3.93Å; P284-L320 HydrophobicContact CB-CD1 4.08Å; V288-L320 HydrophobicContact CB-CD2 4.24Å; V288-L320 HydrophobicContact CG1-CD2 4.19Å; V288-L320 HydrophobicContact CG2-CB 4.21Å; V288-L320 HydrophobicContact CG2-CD2 3.98Å; F317-L320 WeakPolarHBondContact O-CB 3.44Å; F317-L320 PolarHBondContact O-N 3.12Å; L320-E323 PolarHBondContact O-N 3.19Å; L320-I324 WeakPolarHBondContact O-CD1 3.48Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 3.46Å; L320-I324 PolarHBondContact O-N 3.23Å
321L93.4Very high89.8Confident0 Ų043.9 Ų43.90%025%0.245CC..Hα-helixtrans-68-41.4178.1-177.460.1000111.4V306 M312 F313 F317 S318 D319 E323 I324 L325V306-L321 HydrophobicContact CG1-CD1 4.33Å; V306-L321 HydrophobicContact CG1-CD2 4.26Å; V306-L321 HydrophobicContact CG2-CD1 3.89Å; M312-L321 HydrophobicContact CE-CB 4.4Å; M312-L321 HydrophobicContact CE-CD1 4.07Å; M312-L321 HydrophobicContact CE-CD2 4.37Å; F313-L321 HydrophobicContact CD1-CD2 4.15Å; F313-L321 HydrophobicContact CD2-CD2 3.81Å; F313-L321 HydrophobicContact CE1-CD2 3.94Å; F313-L321 HydrophobicContact CE2-CD2 3.59Å; F313-L321 HydrophobicContact CG-CD2 4.12Å; F313-L321 HydrophobicContact CZ-CD2 3.67Å; F317-L321 PolarHBondContact O-N 2.93Å; S318-L321 PolarHBondContact O-N 3.4Å; D319-L321 VanDerWaalsContact C-N 3.3Å; D319-L321 PolarHBondContact O-N 3.28Å; L321-E323 VanDerWaalsContact C-N 3.28Å; L321-E323 PolarHBondContact O-N 3.48Å; L321-I324 PolarHBondContact O-N 3.49Å; L321-L325 HydrophobicContact CD1-CD1 4.27Å; L321-L325 HydrophobicContact CD1-CG 4.25Å; L321-L325 HydrophobicContact CG-CD1 3.9Å; L321-L325 HydrophobicContact CG-CG 4.37Å; L321-L325 WeakPolarHBondContact O-CB 3.43Å; L321-L325 VanDerWaalsContact O-CG 3.3Å; L321-L325 WeakPolarHBondContact O-CG 3.25Å; L321-L325 PolarHBondContact O-N 3.41Å
322S92.6Very high90Very high27 Ų2745.4 Ų45.419%0.18926%0.256CS..Hα-helixtrans-59.7-39.8175.6-171.10000111.7S318 D319 S326S318-S322 WeakPolarHBondContact O-CB 3.39Å; S318-S322 PolarHBondContact O-N 3.14Å; D319-S322 PolarHBondContact O-N 3.47Å; S322-S326 PolarHBondContact O-N 3.2Å
323E94.1Very high90Very high41 Ų4148.1 Ų48.119%0.19227%0.271CS..Hα-helixtrans-66.4-44.3174.1-175.6175.7168.400111.4V288 R292 D319 L320 L321 L325 S326 H327V288-E323 WeakPolarHBondContact CG1-OE1 3.37Å; V288-E323 WeakPolarHBondContact CG1-OE2 3.38Å; V288-E323 HydrophobicContact CG2-CB 4.5Å; R292-E323 WeakPolarHBondContact CG-OE1 3.33Å; R292-E323 IonicContact CZ-OE1 2.82Å; R292-E323 IonicContact CZ-OE2 3.47Å; R292-E323 IonicContact NE-OE1 3.38Å; R292-E323 PolarHBondContact NE-OE1 3.37Å; R292-E323 IonicContact NE-OE2 3.54Å; R292-E323 PolarHBondContact NE-OE2 3.06Å; R292-E323 IonicContact NH2-OE1 2.9Å; R292-E323 IonicContact NH2-OE2 3.61Å; R292-E323 PolarHBondContact NH2-OE2 3.48Å; D319-E323 PolarHBondContact O-N 3.36Å; L320-E323 PolarHBondContact O-N 3.19Å; L321-E323 VanDerWaalsContact C-N 3.28Å; L321-E323 PolarHBondContact O-N 3.48Å; E323-L325 VanDerWaalsContact C-N 3.32Å; E323-L325 PolarHBondContact O-N 2.81Å; E323-S326 PolarHBondContact O-N 3.36Å; E323-S326 PolarHBondContact O-OG 3.13Å; E323-H327 PolarHBondContact O-CD2 3.29Å
324I95.7Very high90.3Very high0 Ų049.2 Ų49.20%028%0.279CS..Hα-helixtrans-60.2-44.6177.7-67.6156.9000111.2L229 V231 P284 L287 V288 L291 L298 L304 L320 L321 S326 H327L229-I324 HydrophobicContact CD2-CG2 4.28Å; V231-I324 HydrophobicContact CG1-CD1 4.47Å; V231-I324 HydrophobicContact CG2-CG2 4.44Å; P284-I324 HydrophobicContact CB-CD1 4Å; L287-I324 HydrophobicContact CB-CD1 4.44Å; L287-I324 HydrophobicContact CD2-CB 4.38Å; L287-I324 HydrophobicContact CD2-CD1 3.7Å; L287-I324 HydrophobicContact CD2-CG1 3.71Å; L287-I324 HydrophobicContact CD2-CG2 3.71Å; L287-I324 HydrophobicContact CG-CD1 4.41Å; L287-I324 HydrophobicContact CG-CG1 4.25Å; V288-I324 HydrophobicContact CG2-CD1 4.08Å; V288-I324 HydrophobicContact CG2-CG1 3.8Å; L291-I324 HydrophobicContact CD1-CG1 4.44Å; L298-I324 HydrophobicContact CD1-CG2 4.25Å; L304-I324 HydrophobicContact CD1-CG2 4.42Å; L320-I324 WeakPolarHBondContact O-CD1 3.48Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 3.46Å; L320-I324 PolarHBondContact O-N 3.23Å; L321-I324 PolarHBondContact O-N 3.49Å; I324-S326 VanDerWaalsContact C-N 3.33Å; I324-S326 PolarHBondContact O-N 3.17Å; I324-H327 PolarHBondContact O-N 2.85Å
325L94.4Very high90.8Very high1 Ų154.6 Ų54.61%0.00530%0.299CS..Hα-helixtrans-65-34.6-177.9-73.7166.2000112.7L304 L321 E323 H327 A328 L346 V360 L361 V364L304-L325 HydrophobicContact CD2-CD2 3.45Å; L304-L325 VanDerWaalsContact CD2-CD2 3.45Å; L304-L325 HydrophobicContact CD2-CG 4.42Å; L321-L325 HydrophobicContact CD1-CD1 4.27Å; L321-L325 HydrophobicContact CD1-CG 4.25Å; L321-L325 HydrophobicContact CG-CD1 3.9Å; L321-L325 HydrophobicContact CG-CG 4.37Å; L321-L325 WeakPolarHBondContact O-CB 3.43Å; L321-L325 VanDerWaalsContact O-CG 3.3Å; L321-L325 WeakPolarHBondContact O-CG 3.25Å; L321-L325 PolarHBondContact O-N 3.41Å; E323-L325 VanDerWaalsContact C-N 3.32Å; E323-L325 PolarHBondContact O-N 2.81Å; L325-H327 PolarHBondContact O-N 2.84Å; L325-A328 PolarHBondContact O-N 2.98Å; L325-L346 HydrophobicContact CD2-CD1 3.91Å; L325-L346 HydrophobicContact CD2-CD2 4.48Å; L325-V360 HydrophobicContact CD1-CG1 3.64Å; L325-L361 HydrophobicContact CD1-CD2 4.12Å; L325-V364 HydrophobicContact CB-CG1 4.21Å; L325-V364 HydrophobicContact CB-CG2 3.79Å; L325-V364 HydrophobicContact CD1-CG2 4.4Å
326S93.3Very high91.6Very high85 Ų8549.7 Ų49.759%0.59427%0.271SS*.Hα-helixtrans-67.3-22.3178.768.50000113.2S322 E323 I324S322-S326 PolarHBondContact O-N 3.2Å; E323-S326 PolarHBondContact O-N 3.36Å; E323-S326 PolarHBondContact O-OG 3.13Å; I324-S326 VanDerWaalsContact C-N 3.33Å; I324-S326 PolarHBondContact O-N 3.17Å
327H93.2Very high92.2Very high87 Ų8745.2 Ų45.240%0.40324%0.24SC..THydrogen-bonded Turntrans-88.8-8.1176.5-74.3-75.8000114.1L298 E323 I324 L325L298-H327 CarbonylContact C-O 3.5Å; L298-H327 HydrophobicContact CB-CB 4.42Å; L298-H327 HydrophobicContact CD1-CB 4.33Å; E323-H327 PolarHBondContact O-CD2 3.29Å; I324-H327 PolarHBondContact O-N 2.85Å; L325-H327 PolarHBondContact O-N 2.84Å
328A92.3Very high92.2Very high0 Ų049.9 Ų49.90%026%0.256CS..SBendtrans-98.9-0.3-167.100000115.2L301 L304 L325 I330 T344L301-A328 HydrophobicContact CD1-CB 4.34Å; L304-A328 HydrophobicContact CD2-CB 3.88Å; L325-A328 PolarHBondContact O-N 2.98Å; A328-I330 HydrophobicContact CB-CD1 3.73Å; A328-I330 PolarHBondContact O-N 3.29Å; A328-T344 WeakPolarHBondContact O-CB 3.35Å; A328-T344 PolarHBondContact O-OG1 3.5Å
329N93Very high92Very high79 Ų7951.5 Ų51.542%0.42228%0.277SS..  trans44.865.5178.5-17326.5000113.7K343 T344N329-K343 WeakPolarHBondContact O-CB 3.48Å; N329-T344 PolarHBondContact O-N 2.79Å
330I94.5Very high91.4Very high10 Ų1054.1 Ų54.15%0.05129%0.29CS..BIsolated β-bridgetrans-70.2137.2-172.7-56.5-53000111.6L304 A328 T344 L346 V364 T365L304-I330 HydrophobicContact CB-CD1 4.46Å; L304-I330 HydrophobicContact CD2-CD1 4.02Å; A328-I330 HydrophobicContact CB-CD1 3.73Å; A328-I330 PolarHBondContact O-N 3.29Å; I330-T344 HydrophobicContact CD1-CG2 3.85Å; I330-L346 HydrophobicContact CD1-CB 4.39Å; I330-L346 HydrophobicContact CG2-CB 3.86Å; I330-L346 HydrophobicContact CG2-CD2 4.37Å; I330-V364 HydrophobicContact CB-CG1 3.73Å; I330-V364 HydrophobicContact CG1-CG1 3.28Å; I330-V364 HydrophobicContact CG2-CG1 4.49Å; I330-T365 HydrophobicContact CG2-CG2 4.46Å
331A93.2Very high90.9Very high0 Ų055.3 Ų55.30%031%0.314CS..  trans-68.6136.5175.900000111.2N191 E336 T337 K343 T344N191-A331 PolarHBondContact ND2-O 3.44Å; A331-E336 HydrophobicContact CB-CB 4.14Å; A331-T337 HydrophobicContact CB-CG2 3.59Å; A331-K343 HydrophobicContact CB-CB 3.71Å; A331-T344 WeakPolarHBondContact CB-O 2.99Å; A331-T344 PolarHBondContact N-O 2.7Å
332S89.8Confident90.7Very high37 Ų3757 Ų5726%0.25932%0.321SS..SBendtrans-90.6-30.4172-690000111.6E336 K369S332-E336 PolarHBondContact N-OE2 3.21Å; S332-K369 WeakPolarHBondContact O-CD 2.94Å
333D89.9Confident90.8Very high57 Ų5758.5 Ų58.531%0.30533%0.325SS..SBendtrans-125144.5-178.7-169.7-81.4000111.1K335 E336D333-K335 PolarHBondContact O-N 2.88Å; D333-K335 VanDerWaalsContact O-N 3.09Å; D333-K335 WeakPolarHBondContact OD1-CB 3.31Å; D333-K335 WeakPolarHBondContact OD1-CG 3.27Å; D333-K335 PolarHBondContact OD1-N 2.92Å; D333-E336 HydrophobicContact CB-CG 4.25Å; D333-E336 WeakPolarHBondContact O-CB 3.43Å; D333-E336 PolarHBondContact O-N 2.77Å
334P91.6Very high90.9Very high31 Ų3156.6 Ų56.620%0.20132%0.316CS..G310 helixtrans-52.9-31.8177.4-27.534.2000114.7G189 H190 E336 T337G189-P334 WeakPolarHBondContact O-CA 3.46Å; H190-P334 WeakPolarHBondContact ND1-CG 3.42Å; P334-E336 VanDerWaalsContact C-N 3.26Å; P334-E336 PolarHBondContact O-N 2.83Å; P334-T337 PolarHBondContact O-N 2.85Å; P334-T337 PolarHBondContact O-OG1 2.85Å
335K91.8Very high90.9Very high179 Ų17956.6 Ų56.678%0.77832%0.316SS*.G310 helixtrans-65.6-29.2178.7-64.7175.6-175.1178.20112.6D333 T337D333-K335 PolarHBondContact O-N 2.88Å; D333-K335 VanDerWaalsContact O-N 3.09Å; D333-K335 WeakPolarHBondContact OD1-CB 3.31Å; D333-K335 WeakPolarHBondContact OD1-CG 3.27Å; D333-K335 PolarHBondContact OD1-N 2.92Å; K335-T337 PolarHBondContact O-N 3.08Å
336E92.9Very high91.1Very high66 Ų6656.6 Ų56.631%0.30832%0.316SS..G310 helixtrans-72.2-15.2178.6-59.7-178.8166.600112.2A331 S332 D333 P334 R338 H342 K343A331-E336 HydrophobicContact CB-CB 4.14Å; S332-E336 PolarHBondContact N-OE2 3.21Å; D333-E336 HydrophobicContact CB-CG 4.25Å; D333-E336 WeakPolarHBondContact O-CB 3.43Å; D333-E336 PolarHBondContact O-N 2.77Å; P334-E336 VanDerWaalsContact C-N 3.26Å; P334-E336 PolarHBondContact O-N 2.83Å; E336-R338 PolarHBondContact O-N 3.43Å; E336-H342 CarbonylContact O-C 3.56Å; E336-H342 WeakPolarHBondContact O-CA 3.42Å; E336-K343 HydrophobicContact CB-CB 4.3Å; E336-K343 HydrophobicContact CB-CD 4.47Å; E336-K343 HydrophobicContact CB-CG 4.4Å; E336-K343 PolarHBondContact O-N 3.14Å; E336-K343 IonicContact OE1-NZ 3.92Å; E336-K343 PolarHBondContact OE1-NZ 2.67Å; E336-K343 WeakPolarHBondContact OE2-CD 3.46Å; E336-K343 IonicContact OE2-NZ 2.66Å; E336-K343 PolarHBondContact OE2-NZ 2.74Å
337T92.2Very high91.3Very high2 Ų252.6 Ų52.61%0.01229%0.288CS..G310 helixtrans-79.36.1-179.270.10000113.9G189 R213 A331 P334 K335 Q345G189-T337 WeakPolarHBondContact CA-OG1 3.41Å; G189-T337 WeakPolarHBondContact O-CG2 3.31Å; R213-T337 PolarHBondContact NH2-O 3.39Å; A331-T337 HydrophobicContact CB-CG2 3.59Å; P334-T337 PolarHBondContact O-N 2.85Å; P334-T337 PolarHBondContact O-OG1 2.85Å; K335-T337 PolarHBondContact O-N 3.08Å; T337-Q345 HydrophobicContact CG2-CB 3.85Å; T337-Q345 HydrophobicContact CG2-CG 4.2Å
338R87.2Confident91.4Very high141 Ų14148.5 Ų48.553%0.53227%0.269SS..SBendtrans-141.5156.6-172.8-60.3-179.2-178179-3.2110.8M187 E336M187-R338 PolarHBondContact O-NH2 3.5Å; E336-R338 PolarHBondContact O-N 3.43Å
339G82.7Confident91.6Very high58 Ų5848.5 Ų48.560%0.59827%0.269SS*.SBendtrans86.9-177.8178.200000113.6H342G339-H342 PolarHBondContact O-N 3.26Å
340L79.2Confident91.5Very high187 Ų18744.9 Ų44.998%0.97925%0.25SC*.THydrogen-bonded Turntrans-65.9131.5175.8-77.6151.6000110.1
341G81.5Confident91.1Very high74 Ų7444.5 Ų44.576%0.76325%0.249SC*.THydrogen-bonded Turntrans72.630.3-175.600000113.6
342H89.8Confident90.7Very high34 Ų3444.9 Ų44.916%0.15725%0.251CS..PPolyproline II helixtrans-55149.9176.963.8-89.6000111.8E300 L301 N302 E336 G339E300-H342 PolarHBondContact O-NE2 3.29Å; L301-H342 PolarHBondContact O-CD2 3.08Å; L301-H342 PolarHBondContact O-NE2 3.15Å; N302-H342 PolarHBondContact ND2-CD2 3.14Å; N302-H342 PolarHBondContact ND2-CE1 2.92Å; N302-H342 PolarHBondContact ND2-NE2 3.46Å; N302-H342 VanDerWaalsContact ND2-NE2 3.11Å; E336-H342 CarbonylContact O-C 3.56Å; E336-H342 WeakPolarHBondContact O-CA 3.42Å; G339-H342 PolarHBondContact O-N 3.26Å
343K94.2Very high90.4Very high60 Ų6043.6 Ų43.626%0.26124%0.24SC..PPolyproline II helixtrans-99.4161.2169.5-63.9-165.3-164.4155.70111N329 A331 E336N329-K343 WeakPolarHBondContact O-CB 3.48Å; A331-K343 HydrophobicContact CB-CB 3.71Å; E336-K343 HydrophobicContact CB-CB 4.3Å; E336-K343 HydrophobicContact CB-CD 4.47Å; E336-K343 HydrophobicContact CB-CG 4.4Å; E336-K343 PolarHBondContact O-N 3.14Å; E336-K343 IonicContact OE1-NZ 3.92Å; E336-K343 PolarHBondContact OE1-NZ 2.67Å; E336-K343 WeakPolarHBondContact OE2-CD 3.46Å; E336-K343 IonicContact OE2-NZ 2.66Å; E336-K343 PolarHBondContact OE2-NZ 2.74Å
344T96.3Very high89.8Confident1 Ų141.3 Ų41.31%0.00623%0.229CC..BIsolated β-bridgetrans-74.4128.7-175.2-610000111.9L301 L304 A328 N329 I330 A331L301-T344 HydrophobicContact CB-CG2 3.95Å; L301-T344 VanDerWaalsContact CB-OG1 3.29Å; L301-T344 WeakPolarHBondContact CB-OG1 3.48Å; L301-T344 PolarHBondContact O-OG1 3.47Å; L304-T344 HydrophobicContact CB-CG2 3.59Å; A328-T344 WeakPolarHBondContact O-CB 3.35Å; A328-T344 PolarHBondContact O-OG1 3.5Å; N329-T344 PolarHBondContact O-N 2.79Å; I330-T344 HydrophobicContact CD1-CG2 3.85Å; A331-T344 WeakPolarHBondContact CB-O 2.99Å; A331-T344 PolarHBondContact N-O 2.7Å
345Q97.3Very high89.1Confident0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-78.6125.3169.3-171.7177-2.900110.3V186 G189 H190 N302 F303 L304 T337 L347V186-Q345 PolarHBondContact O-NE2 2.91Å; V186-Q345 PolarHBondContact O-OE1 3.09Å; G189-Q345 VanDerWaalsContact C-NE2 3.29Å; H190-Q345 PolarHBondContact O-NE2 3.33Å; N302-Q345 PolarHBondContact O-N 3.45Å; F303-Q345 WeakPolarHBondContact CA-O 3.31Å; F303-Q345 HydrophobicContact CD1-CB 4.03Å; F303-Q345 HydrophobicContact CE1-CB 4.34Å; L304-Q345 PolarHBondContact N-O 3.46Å; T337-Q345 HydrophobicContact CG2-CB 3.85Å; T337-Q345 HydrophobicContact CG2-CG 4.2Å; Q345-L347 HydrophobicContact CG-CD2 4.21Å
346L97.3Very high88.5Confident1 Ų136.7 Ų36.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-95.7125.8-179.1179.965.2000111.7N191 I192 L304 L325 I330 L348 L361N191-L346 CarbonylContact C-O 3.53Å; N191-L346 VanDerWaalsContact CA-O 3.22Å; N191-L346 WeakPolarHBondContact CA-O 3.27Å; N191-L346 HydrophobicContact CB-CB 4.46Å; N191-L346 PolarHBondContact OD1-N 3.4Å; I192-L346 PolarHBondContact N-O 3.25Å; L304-L346 HydrophobicContact CB-CD1 4.32Å; L304-L346 HydrophobicContact CD2-CD1 3.97Å; L304-L346 HydrophobicContact CG-CD1 4.13Å; L304-L346 WeakPolarHBondContact O-CA 3.23Å; L325-L346 HydrophobicContact CD2-CD1 3.91Å; L325-L346 HydrophobicContact CD2-CD2 4.48Å; I330-L346 HydrophobicContact CD1-CB 4.39Å; I330-L346 HydrophobicContact CG2-CB 3.86Å; I330-L346 HydrophobicContact CG2-CD2 4.37Å; L346-L348 HydrophobicContact CD1-CD2 3.84Å; L346-L348 HydrophobicContact CD1-CG 4.47Å; L346-L348 HydrophobicContact CD2-CD1 4.38Å; L346-L348 HydrophobicContact CD2-CD2 4.26Å; L346-L348 HydrophobicContact CD2-CG 4.33Å; L346-L348 HydrophobicContact CG-CD2 4.05Å; L346-L348 HydrophobicContact CG-CG 4.16Å; L346-L361 HydrophobicContact CD2-CD2 3.75Å
347L97.6Very high88Confident0 Ų033.8 Ų33.80%020%0.204CC..EExtended strand (participates in β ladder)trans-122.7111.9177.1-52.2-177.8000110.2V186 I192 V210 L304 V305 V306 Q345V186-L347 HydrophobicContact CG1-CD1 3.79Å; V186-L347 HydrophobicContact CG1-CD2 4.13Å; V186-L347 HydrophobicContact CG2-CD1 4.22Å; V186-L347 HydrophobicContact CG2-CD2 3.89Å; I192-L347 HydrophobicContact CB-CD2 3.81Å; I192-L347 HydrophobicContact CG1-CD2 3.66Å; V210-L347 HydrophobicContact CG2-CD1 4.11Å; L304-L347 PolarHBondContact O-N 2.97Å; V305-L347 CarbonylContact C-O 3.56Å; V305-L347 VanDerWaalsContact CA-O 3.28Å; V305-L347 WeakPolarHBondContact CA-O 3.42Å; V305-L347 HydrophobicContact CG1-CB 4.34Å; V305-L347 HydrophobicContact CG2-CB 4.17Å; V305-L347 HydrophobicContact CG2-CD1 4.08Å; V305-L347 HydrophobicContact CG2-CG 4.49Å; V306-L347 PolarHBondContact N-O 3.37Å; Q345-L347 HydrophobicContact CG-CD2 4.21Å
348L96.1Very high87.6Confident1 Ų134 Ų341%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-103.9121.8177.4-54176.2000109.3I192 L193 C194 V306 F313 L346 V357 L361I192-L348 PolarHBondContact O-N 3.21Å; L193-L348 CarbonylContact C-O 3.53Å; L193-L348 WeakPolarHBondContact CA-O 3.26Å; L193-L348 HydrophobicContact CG-CB 4.38Å; C194-L348 PolarHBondContact N-O 3.41Å; V306-L348 HydrophobicContact CB-CD2 3.64Å; V306-L348 HydrophobicContact CG1-CD2 4.5Å; V306-L348 HydrophobicContact CG2-CD2 3.62Å; F313-L348 HydrophobicContact CE2-CD2 4.06Å; F313-L348 HydrophobicContact CZ-CD1 4.12Å; F313-L348 HydrophobicContact CZ-CD2 4.03Å; L346-L348 HydrophobicContact CD1-CD2 3.84Å; L346-L348 HydrophobicContact CD1-CG 4.47Å; L346-L348 HydrophobicContact CD2-CD1 4.38Å; L346-L348 HydrophobicContact CD2-CD2 4.26Å; L346-L348 HydrophobicContact CD2-CG 4.33Å; L346-L348 HydrophobicContact CG-CD2 4.05Å; L346-L348 HydrophobicContact CG-CG 4.16Å; L348-V357 HydrophobicContact CD1-CG1 4.43Å; L348-L361 HydrophobicContact CD1-CD1 3.32Å; L348-L361 HydrophobicContact CD1-CD2 4.1Å; L348-L361 HydrophobicContact CD1-CG 4.2Å
349I95.2Very high87.4Confident1 Ų133.1 Ų33.11%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-127.5118.2-169.4-51.6-63000108.5C194 K202 Y206 V305 V306 D307 E308 A309C194-I349 HydrophobicContact CB-CD1 3.62Å; K202-I349 HydrophobicContact CB-CG2 3.68Å; K202-I349 HydrophobicContact CD-CG2 3.77Å; K202-I349 HydrophobicContact CG-CG2 4.2Å; Y206-I349 HydrophobicContact CD1-CB 4.48Å; Y206-I349 HydrophobicContact CD1-CD1 4.32Å; Y206-I349 HydrophobicContact CD1-CG1 3.77Å; Y206-I349 HydrophobicContact CD1-CG2 4.3Å; Y206-I349 HydrophobicContact CE1-CG1 4.35Å; Y206-I349 HydrophobicContact CE1-CG2 4.45Å; Y206-I349 HydrophobicContact CG-CG1 4.43Å; V305-I349 HydrophobicContact CG1-CG1 4.07Å; V306-I349 PolarHBondContact O-N 2.94Å; D307-I349 CarbonylContact C-O 3.41Å; E308-I349 PolarHBondContact N-O 2.88Å; A309-I349 WeakPolarHBondContact CB-O 3.21Å; A309-I349 PolarHBondContact N-O 3.44Å
350G91.6Very high87.5Confident2 Ų230.5 Ų30.52%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-141.6156.7-174.200000113.8C194 A196 K202 D310 T352C194-G350 PolarHBondContact O-N 3.34Å; A196-G350 PolarHBondContact N-O 2.96Å; A196-G350 VanDerWaalsContact O-O 3.13Å; K202-G350 WeakPolarHBondContact CD-O 3.5Å; D310-G350 WeakPolarHBondContact OD1-CA 3.47Å; G350-T352 VanDerWaalsContact C-N 3.33Å
351A86.5Confident87.9Confident3 Ų321.6 Ų21.63%0.02513%0.134CC..SBendtrans-75.4-27.1171.700000112.6A196 D310 L378 H500A196-A351 VanDerWaalsContact O-CA 3.29Å; A196-A351 WeakPolarHBondContact O-CA 3.32Å; D310-A351 PolarHBondContact OD1-N 3.4Å; A351-L378 WeakPolarHBondContact O-CD1 3.39Å; A351-H500 WeakPolarHBondContact CB-NE2 3.29Å
352T84.3Confident88.1Confident7 Ų720.8 Ų20.84%0.04312%0.116CC..SBendtrans-132.3179176.663.20000110.1D310 G350 H379 T496 M545D310-T352 WeakPolarHBondContact CB-OG1 3.25Å; G350-T352 VanDerWaalsContact C-N 3.33Å; T352-H379 VanDerWaalsContact CA-NE2 3.34Å; T352-H379 WeakPolarHBondContact CA-NE2 3.46Å; T352-H379 WeakPolarHBondContact CB-NE2 3.23Å; T352-T496 HydrophobicContact CG2-CG2 4.09Å; T352-M545 HydrophobicContact CG2-CE 3.76Å
353F83.4Confident87.9Confident10 Ų1026.5 Ų26.54%0.04414%0.141CC..PPolyproline II helixtrans-77.7122.7165.3-87.4-91.8000108.9L193 A195 T372 K374 L378 K546 S547L193-F353 HydrophobicContact CD1-CD1 4.5Å; L193-F353 HydrophobicContact CD1-CE1 4.44Å; L193-F353 HydrophobicContact CD2-CD1 3.9Å; L193-F353 HydrophobicContact CD2-CE1 3.48Å; L193-F353 VanDerWaalsContact CD2-CE1 3.48Å; L193-F353 HydrophobicContact CD2-CZ 4.07Å; A195-F353 HydrophobicContact CB-CD2 3.71Å; A195-F353 HydrophobicContact CB-CE1 4.47Å; A195-F353 HydrophobicContact CB-CE2 3.48Å; A195-F353 VanDerWaalsContact CB-CE2 3.48Å; A195-F353 HydrophobicContact CB-CG 4.28Å; A195-F353 HydrophobicContact CB-CZ 3.9Å; F353-T372 HydrophobicContact CE1-CG2 3.88Å; F353-T372 HydrophobicContact CZ-CG2 3.59Å; F353-K374 HydrophobicContact CE2-CB 4.41Å; F353-K374 HydrophobicContact CE2-CD 3.99Å; F353-K374 HydrophobicContact CE2-CG 4.22Å; F353-K374 HydrophobicContact CZ-CB 4.47Å; F353-L378 HydrophobicContact CD2-CD2 3.37Å; F353-L378 HydrophobicContact CE2-CD2 3.32Å; F353-K546 HydrophobicContact CB-CB 4.2Å; F353-S547 WeakPolarHBondContact CE2-O 3.16Å; F353-S547 WeakPolarHBondContact CZ-O 3.06Å
354P76.8Confident87.4Confident10 Ų1025.2 Ų25.27%0.06514%0.138CC..PPolyproline II helixtrans-69.3145.7-179.9-0.613.1000110.7A309 F313 V357A309-P354 HydrophobicContact CB-CG 3.73Å; A309-P354 WeakPolarHBondContact O-CB 3.48Å; F313-P354 HydrophobicContact CB-CB 3.86Å; F313-P354 HydrophobicContact CD2-CB 4.19Å; F313-P354 HydrophobicContact CD2-CG 4.31Å; F313-P354 HydrophobicContact CG-CB 4.18Å; P354-V357 HydrophobicContact CB-CG2 3.28Å; P354-V357 HydrophobicContact CG-CG2 3.32Å; P354-V357 VanDerWaalsContact O-CG2 3.29Å; P354-V357 WeakPolarHBondContact O-CG2 3.29Å
355D78.4Confident86.8Confident87 Ų8725.6 Ų25.647%0.46514%0.14SC..SBendtrans-76.5155.9165.9-70.5-40.3000109.9F313 V357 K546F313-D355 WeakPolarHBondContact CB-O 3.33Å; D355-V357 PolarHBondContact O-N 3.2Å; D355-K546 WeakPolarHBondContact OD1-CD 3.38Å; D355-K546 WeakPolarHBondContact OD1-CE 3.11Å; D355-K546 IonicContact OD1-NZ 3.89Å; D355-K546 PolarHBondContact OD1-NZ 2.69Å
356G78Confident86.2Confident25 Ų2529.7 Ų29.726%0.25816%0.162SC..SBendtrans71.2-3.4176.800000116.6G358 E359 V360G356-G358 VanDerWaalsContact C-N 3.3Å; G356-G358 PolarHBondContact O-N 3.07Å; G356-E359 PolarHBondContact O-N 3.44Å; G356-E359 VanDerWaalsContact O-N 3.08Å; G356-V360 PolarHBondContact O-N 3.41Å
357V82.3Confident85.4Confident6 Ų630.8 Ų30.84%0.03617%0.168CC..Hα-helixtrans-52.4-46.8179.9-179.10000112.8L193 F313 L348 P354 D355 E359 V360 L361L193-V357 HydrophobicContact CD1-CG1 4.26Å; F313-V357 HydrophobicContact CD1-CB 4.28Å; F313-V357 HydrophobicContact CD1-CG2 3.97Å; F313-V357 HydrophobicContact CD2-CG2 4.4Å; F313-V357 HydrophobicContact CE1-CB 4.28Å; F313-V357 HydrophobicContact CE1-CG1 4.18Å; F313-V357 HydrophobicContact CE1-CG2 4.21Å; F313-V357 HydrophobicContact CG-CG2 4.05Å; F313-V357 HydrophobicContact CZ-CG1 4.41Å; L348-V357 HydrophobicContact CD1-CG1 4.43Å; P354-V357 HydrophobicContact CB-CG2 3.28Å; P354-V357 HydrophobicContact CG-CG2 3.32Å; P354-V357 VanDerWaalsContact O-CG2 3.29Å; P354-V357 WeakPolarHBondContact O-CG2 3.29Å; D355-V357 PolarHBondContact O-N 3.2Å; V357-E359 VanDerWaalsContact C-N 3.27Å; V357-E359 PolarHBondContact O-N 2.84Å; V357-V360 PolarHBondContact O-N 3.41Å; V357-L361 HydrophobicContact CG1-CD1 3.31Å; V357-L361 HydrophobicContact CG1-CG 3.85Å; V357-L361 VanDerWaalsContact O-CB 3.32Å; V357-L361 WeakPolarHBondContact O-CB 3.29Å; V357-L361 WeakPolarHBondContact O-CG 3.44Å; V357-L361 PolarHBondContact O-N 3.4Å
358G83.6Confident84.6Confident5 Ų534.1 Ų34.15%0.05220%0.202CC..Hα-helixtrans-60.6-36.2-178.800000112.9G356 S362G356-G358 VanDerWaalsContact C-N 3.3Å; G356-G358 PolarHBondContact O-N 3.07Å; G358-S362 WeakPolarHBondContact O-CB 3.29Å; G358-S362 PolarHBondContact O-N 3.09Å; G358-S362 VanDerWaalsContact O-N 3.11Å; G358-S362 PolarHBondContact O-OG 3.05Å
359E83.6Confident84.1Confident123 Ų12338.6 Ų38.658%0.57522%0.222SC*.Hα-helixtrans-71.9-37.5-178.5-63.3178.3-171.600112.6G356 V357 S362 K363 P552G356-E359 PolarHBondContact O-N 3.44Å; G356-E359 VanDerWaalsContact O-N 3.08Å; V357-E359 VanDerWaalsContact C-N 3.27Å; V357-E359 PolarHBondContact O-N 2.84Å; E359-S362 PolarHBondContact O-OG 3.42Å; E359-K363 WeakPolarHBondContact O-CE 3.38Å; E359-P552 HydrophobicContact CG-CB 4.28Å
360V85Confident83.9Confident4 Ų439.1 Ų39.12%0.02422%0.224CC..Hα-helixtrans-79.8-47.1179.7176.50000110.6F313 S318 L325 G356 V357F313-V360 HydrophobicContact CD1-CB 4.08Å; F313-V360 HydrophobicContact CD1-CG1 4.49Å; F313-V360 HydrophobicContact CD1-CG2 4.12Å; F313-V360 HydrophobicContact CE1-CB 3.84Å; F313-V360 HydrophobicContact CE1-CG1 4Å; F313-V360 HydrophobicContact CE1-CG2 4.38Å; S318-V360 VanDerWaalsContact OG-CG2 3.23Å; S318-V360 WeakPolarHBondContact OG-CG2 3.42Å; L325-V360 HydrophobicContact CD1-CG1 3.64Å; G356-V360 PolarHBondContact O-N 3.41Å; V357-V360 PolarHBondContact O-N 3.41Å
361L86.7Confident84.1Confident0 Ų041 Ų410%024%0.235CC..Hα-helixtrans-75.6-30.1-173.5-67.5-173.4000114F313 L325 L346 L348 V357 K363 V364 T365 L367 I370F313-L361 HydrophobicContact CE1-CD2 4.28Å; F313-L361 HydrophobicContact CE1-CG 4.14Å; F313-L361 HydrophobicContact CZ-CD2 4.11Å; F313-L361 HydrophobicContact CZ-CG 4.26Å; L325-L361 HydrophobicContact CD1-CD2 4.12Å; L346-L361 HydrophobicContact CD2-CD2 3.75Å; L348-L361 HydrophobicContact CD1-CD1 3.32Å; L348-L361 HydrophobicContact CD1-CD2 4.1Å; L348-L361 HydrophobicContact CD1-CG 4.2Å; V357-L361 HydrophobicContact CG1-CD1 3.31Å; V357-L361 HydrophobicContact CG1-CG 3.85Å; V357-L361 VanDerWaalsContact O-CB 3.32Å; V357-L361 WeakPolarHBondContact O-CB 3.29Å; V357-L361 WeakPolarHBondContact O-CG 3.44Å; V357-L361 PolarHBondContact O-N 3.4Å; L361-K363 PolarHBondContact O-N 3.44Å; L361-K363 VanDerWaalsContact O-N 3.09Å; L361-V364 PolarHBondContact O-N 3.24Å; L361-T365 PolarHBondContact O-N 2.95Å; L361-T365 VanDerWaalsContact O-O 3.06Å; L361-L367 HydrophobicContact CB-CD2 3.47Å; L361-L367 VanDerWaalsContact CB-CD2 3.47Å; L361-L367 HydrophobicContact CD1-CD2 4.18Å; L361-L367 HydrophobicContact CG-CD2 4.5Å; L361-I370 HydrophobicContact CD1-CD1 3.57Å
362S86Confident84.4Confident56 Ų5643.7 Ų43.739%0.39225%0.252SS..THydrogen-bonded Turntrans-59.6-21.4177.353.60000113.4G358 E359 V364G358-S362 WeakPolarHBondContact O-CB 3.29Å; G358-S362 PolarHBondContact O-N 3.09Å; G358-S362 VanDerWaalsContact O-N 3.11Å; G358-S362 PolarHBondContact O-OG 3.05Å; E359-S362 PolarHBondContact O-OG 3.42Å; S362-V364 VanDerWaalsContact C-N 3.29Å
363K85Confident84.8Confident155 Ų15543.5 Ų43.567%0.67425%0.25SS*.THydrogen-bonded Turntrans-77.9-13.8174.8-58.4175.4-173.3171.60113.4E359 L361E359-K363 WeakPolarHBondContact O-CE 3.38Å; L361-K363 PolarHBondContact O-N 3.44Å; L361-K363 VanDerWaalsContact O-N 3.09Å
364V83.9Confident85.2Confident32 Ų3247.6 Ų47.619%0.19427%0.268CS..THydrogen-bonded Turntrans-123.5-36.7-164.8-174.80000111.8L325 I330 L361 S362L325-V364 HydrophobicContact CB-CG1 4.21Å; L325-V364 HydrophobicContact CB-CG2 3.79Å; L325-V364 HydrophobicContact CD1-CG2 4.4Å; I330-V364 HydrophobicContact CB-CG1 3.73Å; I330-V364 HydrophobicContact CG1-CG1 3.28Å; I330-V364 HydrophobicContact CG2-CG1 4.49Å; L361-V364 PolarHBondContact O-N 3.24Å; S362-V364 VanDerWaalsContact C-N 3.29Å
365T85.3Confident85.7Confident10 Ų1047.9 Ų47.96%0.06127%0.27CS..SBendtrans-152.8159.6179.7-177.20000111.1I330 L361 L367 I370I330-T365 HydrophobicContact CG2-CG2 4.46Å; L361-T365 PolarHBondContact O-N 2.95Å; L361-T365 VanDerWaalsContact O-O 3.06Å; T365-L367 PolarHBondContact O-N 3.36Å; T365-I370 HydrophobicContact CG2-CD1 3.94Å; T365-I370 HydrophobicContact CG2-CG1 4.36Å
366D83.4Confident86.1Confident86 Ų8652.8 Ų52.846%0.4629%0.288SS..  trans-64.9120.8166.9-178.9-3.4000110.3G368 K369D366-G368 VanDerWaalsContact C-N 3.27Å; D366-G368 PolarHBondContact O-N 2.71Å; D366-G368 PolarHBondContact OD1-N 2.79Å; D366-K369 HydrophobicContact CB-CD 4.39Å; D366-K369 HydrophobicContact CB-CG 4.25Å; D366-K369 PolarHBondContact O-N 3.1Å
367L81.2Confident86.4Confident24 Ų2453.8 Ų53.813%0.12629%0.286CS..G310 helixtrans-63.5-33.5179.5-61.1178.4000112L361 T365 K369 I370 I549L361-L367 HydrophobicContact CB-CD2 3.47Å; L361-L367 VanDerWaalsContact CB-CD2 3.47Å; L361-L367 HydrophobicContact CD1-CD2 4.18Å; L361-L367 HydrophobicContact CG-CD2 4.5Å; T365-L367 PolarHBondContact O-N 3.36Å; L367-K369 PolarHBondContact O-N 2.64Å; L367-I370 HydrophobicContact CD2-CD1 4.29Å; L367-I370 PolarHBondContact O-N 3.04Å; L367-I370 VanDerWaalsContact O-N 3.16Å; L367-I549 HydrophobicContact CD1-CG2 4.16Å; L367-I549 HydrophobicContact CD2-CG2 4.41Å
368G80.6Confident86.6Confident70 Ų7053.7 Ų53.772%0.72229%0.285SS*.G310 helixtrans-67.1-18.5-177.600000113.6D366D366-G368 VanDerWaalsContact C-N 3.27Å; D366-G368 PolarHBondContact O-N 2.71Å; D366-G368 PolarHBondContact OD1-N 2.79Å
369K86.3Confident86.8Confident95 Ų9554 Ų5441%0.41329%0.285SS..G310 helixtrans-92-5.8178.3-62.3-169.5-178.4-173.70113.7S332 D366 L367 V371S332-K369 WeakPolarHBondContact O-CD 2.94Å; D366-K369 HydrophobicContact CB-CD 4.39Å; D366-K369 HydrophobicContact CB-CG 4.25Å; D366-K369 PolarHBondContact O-N 3.1Å; L367-K369 PolarHBondContact O-N 2.64Å; K369-V371 PolarHBondContact O-N 3.26Å
370I91.1Very high87.1Confident11 Ų1150.7 Ų50.76%0.05627%0.27CS..SBendtrans-80.5118.1176.4-56.5178.5000109.2N191 L193 L361 T365 L367 T372N191-I370 HydrophobicContact CB-CG1 4.31Å; L193-I370 HydrophobicContact CB-CG2 3.87Å; L361-I370 HydrophobicContact CD1-CD1 3.57Å; T365-I370 HydrophobicContact CG2-CD1 3.94Å; T365-I370 HydrophobicContact CG2-CG1 4.36Å; L367-I370 HydrophobicContact CD2-CD1 4.29Å; L367-I370 PolarHBondContact O-N 3.04Å; L367-I370 VanDerWaalsContact O-N 3.16Å; I370-T372 PolarHBondContact O-N 3.44Å
371V94Very high87.4Confident42 Ų4251.6 Ų51.626%0.25527%0.274SS..EExtended strand (participates in β ladder)trans-78.8116.9178.1179.70000109.5K185 H190 N191 I192 L193 K369K185-V371 HydrophobicContact CD-CG1 3.81Å; H190-V371 HydrophobicContact CB-CB 4.35Å; H190-V371 HydrophobicContact CB-CG2 3.84Å; N191-V371 PolarHBondContact O-N 3.32Å; I192-V371 WeakPolarHBondContact CA-O 3.31Å; I192-V371 HydrophobicContact CD1-CB 4.04Å; I192-V371 HydrophobicContact CD1-CG1 4.49Å; L193-V371 PolarHBondContact N-O 3.11Å; K369-V371 PolarHBondContact O-N 3.26Å
372T93.6Very high87.5Confident60 Ų6052.8 Ų52.837%0.36828%0.28SS..EExtended strand (participates in β ladder)trans-83.7130177.1-61.60000111.1L193 F353 I370L193-T372 HydrophobicContact CD2-CG2 4.42Å; L193-T372 CarbonylContact O-C 3.49Å; L193-T372 WeakPolarHBondContact O-CA 3.39Å; F353-T372 HydrophobicContact CE1-CG2 3.88Å; F353-T372 HydrophobicContact CZ-CG2 3.59Å; I370-T372 PolarHBondContact O-N 3.44Å
373V92.9Very high87.6Confident3 Ų351.1 Ų51.12%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-117.1114.6170.5-1730000108.1Q181 K185 I192 L193 C194 A195Q181-V373 HydrophobicContact CB-CG1 3.76Å; K185-V373 HydrophobicContact CD-CG2 3.71Å; I192-V373 HydrophobicContact CG2-CG2 4.09Å; L193-V373 PolarHBondContact O-N 3.18Å; C194-V373 CarbonylContact C-O 3.48Å; C194-V373 WeakPolarHBondContact CA-O 3.22Å; A195-V373 PolarHBondContact N-O 3.38Å
374K91.1Very high87.8Confident96 Ų9644.4 Ų44.442%0.41724%0.239SC..EExtended strand (participates in β ladder)trans-119.3128.8-177.6173.2177179.6-169.10110.7A195 F353 L378A195-K374 WeakPolarHBondContact O-CA 3.31Å; F353-K374 HydrophobicContact CE2-CB 4.41Å; F353-K374 HydrophobicContact CE2-CD 3.99Å; F353-K374 HydrophobicContact CE2-CG 4.22Å; F353-K374 HydrophobicContact CZ-CB 4.47Å; K374-L378 HydrophobicContact CD-CD2 4.14Å; K374-L378 HydrophobicContact CG-CB 4.17Å; K374-L378 HydrophobicContact CG-CD2 3.85Å
375S88.4Confident88.2Confident16 Ų1643 Ų4311%0.11223%0.23CC..  trans-66.7142.4168.6176.40000111.2A195 E197 M377 L378A195-S375 PolarHBondContact O-N 3.23Å; E197-S375 WeakPolarHBondContact OE2-CB 3.33Å; E197-S375 PolarHBondContact OE2-OG 3.21Å; S375-M377 PolarHBondContact O-N 3.25Å; S375-M377 PolarHBondContact OG-N 3.43Å; S375-L378 VanDerWaalsContact O-CB 3.26Å; S375-L378 WeakPolarHBondContact O-CB 3.38Å; S375-L378 PolarHBondContact O-N 3.29Å; S375-L378 VanDerWaalsContact O-N 3.13Å
376K86.1Confident88.6Confident190 Ų19045.6 Ų45.683%0.82624%0.241SC*.THydrogen-bonded Turntrans-61.6-28.4173.5-68-175.8179.3179.60112.3L378 H380K376-L378 VanDerWaalsContact C-N 3.32Å; K376-H380 PolarHBondContact O-CE1 3.23Å
377M85.5Confident89.2Confident46 Ų4641.7 Ų41.723%0.22722%0.22CC..THydrogen-bonded Turntrans-91.16.8-179.8-64.5-59.8-59.200112.9P136 S375 H379 H380 P383P136-M377 HydrophobicContact CB-CG 3.7Å; P136-M377 HydrophobicContact CB-SD 4.36Å; P136-M377 HydrophobicContact CG-CE 4.16Å; P136-M377 HydrophobicContact CG-CG 4.19Å; P136-M377 HydrophobicContact CG-SD 4.46Å; S375-M377 PolarHBondContact O-N 3.25Å; S375-M377 PolarHBondContact OG-N 3.43Å; M377-H379 PolarHBondContact O-N 3.28Å; M377-H380 HydrophobicContact CE-CB 3.82Å; M377-H380 WeakPolarHBondContact O-CB 3.08Å; M377-H380 PolarHBondContact O-N 2.98Å; M377-P383 HydrophobicContact CE-CG 4Å
378L85.5Confident90Very high4 Ų441.1 Ų41.12%0.02122%0.217CC..THydrogen-bonded Turntrans-57.8132.2179.2-168.568.9000110.4A195 A351 F353 K374 S375 K376 H380A195-L378 HydrophobicContact CB-CD1 4.16Å; A195-L378 HydrophobicContact CB-CD2 3.6Å; A351-L378 WeakPolarHBondContact O-CD1 3.39Å; F353-L378 HydrophobicContact CD2-CD2 3.37Å; F353-L378 HydrophobicContact CE2-CD2 3.32Å; K374-L378 HydrophobicContact CD-CD2 4.14Å; K374-L378 HydrophobicContact CG-CB 4.17Å; K374-L378 HydrophobicContact CG-CD2 3.85Å; S375-L378 VanDerWaalsContact O-CB 3.26Å; S375-L378 WeakPolarHBondContact O-CB 3.38Å; S375-L378 PolarHBondContact O-N 3.29Å; S375-L378 VanDerWaalsContact O-N 3.13Å; K376-L378 VanDerWaalsContact C-N 3.32Å; L378-H380 PolarHBondContact O-N 2.64Å; L378-H380 VanDerWaalsContact O-N 3.15Å; L378-H380 PolarHBondContact O-ND1 3.36Å
379H88.4Confident90.9Very high11 Ų1137.8 Ų37.85%0.05118%0.183CC..THydrogen-bonded Turntrans63.310.7-178.3-51.8147.5000115.3T352 M377 S541 L542 M545 K546T352-H379 VanDerWaalsContact CA-NE2 3.34Å; T352-H379 WeakPolarHBondContact CA-NE2 3.46Å; T352-H379 WeakPolarHBondContact CB-NE2 3.23Å; M377-H379 PolarHBondContact O-N 3.28Å; H379-S541 CarbonylContact O-C 3.54Å; H379-S541 WeakPolarHBondContact O-CA 3.35Å; H379-L542 PolarHBondContact O-N 2.9Å; H379-M545 HydrophobicContact CB-CB 4.05Å; H379-M545 HydrophobicContact CB-CG 4.35Å; H379-M545 HydrophobicContact CB-SD 3.55Å; H379-M545 VanDerWaalsContact CB-SD 3.55Å; H379-M545 VanDerWaalsContact CG-SD 3.56Å; H379-M545 WeakPolarHBondContact ND1-CB 3.4Å; H379-K546 PolarHBondContact CE1-O 3.06Å; H379-K546 PolarHBondContact ND1-O 3.33Å
380H89.9Confident91.4Very high54 Ų5434 Ų3425%0.2517%0.167CC..  trans-90.4154.9172.2-67.273.5000110.8K376 M377 L378 T540 S541K376-H380 PolarHBondContact O-CE1 3.23Å; M377-H380 HydrophobicContact CE-CB 3.82Å; M377-H380 WeakPolarHBondContact O-CB 3.08Å; M377-H380 PolarHBondContact O-N 2.98Å; L378-H380 PolarHBondContact O-N 2.64Å; L378-H380 VanDerWaalsContact O-N 3.15Å; L378-H380 PolarHBondContact O-ND1 3.36Å; H380-T540 VanDerWaalsContact CD2-C 3.47Å; H380-S541 PolarHBondContact NE2-N 2.97Å
381L90.3Very high91.7Very high22 Ų2233.6 Ų33.612%0.11517%0.165CC..  trans-67.5147.6169-60175000110.5I128 P383 Y498 I532 A536 L542I128-L381 HydrophobicContact CD1-CD1 3.96Å; L381-P383 WeakPolarHBondContact O-CD 3.29Å; L381-Y498 HydrophobicContact CD2-CD1 4.33Å; L381-Y498 HydrophobicContact CD2-CE1 3.71Å; L381-I532 HydrophobicContact CD1-CG2 3.87Å; L381-I532 HydrophobicContact CD2-CG2 3.98Å; L381-A536 HydrophobicContact CD1-CB 3.62Å; L381-L542 HydrophobicContact CD2-CD1 4.37Å; L381-L542 HydrophobicContact CD2-CD2 4.21Å
382M89.6Confident91.9Very high26 Ų2631.9 Ų31.913%0.12816%0.155CC..  trans-72.5108.7-178.3-67.2161.773.600110.4H384 V385 Q387 A502 V505M382-H384 PolarHBondContact O-N 3.23Å; M382-V385 HydrophobicContact CB-CB 3.97Å; M382-V385 HydrophobicContact CB-CG2 4.09Å; M382-V385 HydrophobicContact CE-CB 4.37Å; M382-V385 HydrophobicContact CE-CG2 3.51Å; M382-V385 PolarHBondContact O-N 3.29Å; M382-V385 HydrophobicContact SD-CG2 4.47Å; M382-Q387 PolarHBondContact O-NE2 2.86Å; M382-A502 HydrophobicContact SD-CB 4.19Å; M382-V505 WeakPolarHBondContact CE-O 3.32Å
383P87.7Confident92Very high20 Ų2033.9 Ų33.913%0.1316%0.158CC..THydrogen-bonded Turntrans-74.3-13.5-172.431.5-36.3000113.3N130 I131 K132 P136 M377 L381N130-P383 CarbonylContact C-O 3.52Å; N130-P383 WeakPolarHBondContact CA-O 3.29Å; I131-P383 HydrophobicContact CD1-CB 4.01Å; I131-P383 HydrophobicContact CG1-CB 3.7Å; I131-P383 PolarHBondContact N-O 3.07Å; K132-P383 HydrophobicContact CD-CB 4.28Å; K132-P383 HydrophobicContact CD-CG 3.93Å; K132-P383 HydrophobicContact CG-CB 4.26Å; K132-P383 HydrophobicContact CG-CG 4.39Å; K132-P383 PolarHBondContact N-O 3.31Å; K132-P383 VanDerWaalsContact N-O 3.15Å; P136-P383 HydrophobicContact CG-CG 3.46Å; P136-P383 VanDerWaalsContact CG-CG 3.46Å; M377-P383 HydrophobicContact CE-CG 4Å; L381-P383 WeakPolarHBondContact O-CD 3.29Å
384H88.8Confident92.1Very high15 Ų1535.8 Ų35.87%0.06918%0.178CC..THydrogen-bonded Turntrans-94.7-8.8177.860-68.2000113.4N130 K132 M382 G506N130-H384 VanDerWaalsContact CB-O 3.28Å; N130-H384 WeakPolarHBondContact CB-O 3.36Å; K132-H384 HydrophobicContact CB-CB 4.41Å; K132-H384 VanDerWaalsContact O-CA 3.29Å; K132-H384 WeakPolarHBondContact O-CA 3.27Å; M382-H384 PolarHBondContact O-N 3.23Å; H384-G506 PolarHBondContact CD2-O 2.91Å; H384-G506 PolarHBondContact NE2-O 2.56Å
385V91.8Very high92.2Very high1 Ų135.5 Ų35.51%0.00619%0.194CC..SBendtrans-107.9128.2-178.6174.40000110.3M382 Q387 V505 V516M382-V385 HydrophobicContact CB-CB 3.97Å; M382-V385 HydrophobicContact CB-CG2 4.09Å; M382-V385 HydrophobicContact CE-CB 4.37Å; M382-V385 HydrophobicContact CE-CG2 3.51Å; M382-V385 PolarHBondContact O-N 3.29Å; M382-V385 HydrophobicContact SD-CG2 4.47Å; V385-Q387 HydrophobicContact CG1-CG 4.23Å; V385-Q387 PolarHBondContact O-NE2 3Å; V385-V505 HydrophobicContact CG1-CG2 3.72Å; V385-V505 HydrophobicContact CG2-CG2 4.32Å; V385-V516 HydrophobicContact CG1-CG2 3.73Å
386K94.3Very high92.6Very high66 Ų6638 Ų3829%0.28721%0.206SC..EExtended strand (participates in β ladder)trans-73.7129.2173.2178.1-174.4163.5-145.20109.5T127 I128 E515 V516T127-K386 HydrophobicContact CG2-CD 4.27Å; T127-K386 HydrophobicContact CG2-CG 3.66Å; I128-K386 WeakPolarHBondContact O-CA 3.24Å; K386-E515 HydrophobicContact CB-CB 4.24Å; K386-E515 IonicContact NZ-OE2 3.21Å; K386-E515 PolarHBondContact NZ-OE2 2.92Å; K386-E515 CarbonylContact O-C 3.55Å; K386-E515 VanDerWaalsContact O-CA 3.29Å; K386-E515 WeakPolarHBondContact O-CA 3.25Å; K386-V516 PolarHBondContact O-N 3.33Å
387Q97Very high93.1Very high3 Ų329.6 Ų29.61%0.01417%0.169CC..EExtended strand (participates in β ladder)trans-127.3117.9-175.6-63.3159.766.200109.7T127 I128 M382 V385 F389 Y498 V516T127-Q387 CarbonylContact C-O 3.46Å; T127-Q387 VanDerWaalsContact CA-O 3.32Å; T127-Q387 WeakPolarHBondContact CA-O 3.43Å; I128-Q387 HydrophobicContact CB-CB 4.28Å; I128-Q387 HydrophobicContact CD1-CB 4.48Å; I128-Q387 PolarHBondContact N-O 3.15Å; I128-Q387 PolarHBondContact O-N 3.04Å; M382-Q387 PolarHBondContact O-NE2 2.86Å; V385-Q387 HydrophobicContact CG1-CG 4.23Å; V385-Q387 PolarHBondContact O-NE2 3Å; Q387-F389 HydrophobicContact CB-CE2 4.25Å; Q387-Y498 PolarHBondContact OE1-OH 3.49Å; Q387-V516 CarbonylContact C-O 3.48Å; Q387-V516 WeakPolarHBondContact CA-O 3.47Å; Q387-V516 HydrophobicContact CB-CB 4.45Å; Q387-V516 HydrophobicContact CG-CB 4.05Å; Q387-V516 HydrophobicContact CG-CG2 4.24Å
388T97.8Very high93.7Very high12 Ų1228.2 Ų28.27%0.07416%0.163CC..EExtended strand (participates in β ladder)trans-112.7131.9-178.6-57.50000110.5T127 V516 L517 S518T127-T388 WeakPolarHBondContact CG2-OG1 3.46Å; T127-T388 WeakPolarHBondContact OG1-CG2 3.43Å; T127-T388 PolarHBondContact OG1-OG1 3.35Å; T388-V516 PolarHBondContact N-O 3.08Å; T388-L517 HydrophobicContact CG2-CD1 4.12Å; T388-L517 CarbonylContact O-C 3.57Å; T388-L517 WeakPolarHBondContact O-CA 3.49Å; T388-S518 PolarHBondContact O-N 3.36Å
389F98.3Very high94.2Very high0 Ų032.5 Ų32.50%019%0.186CC..EExtended strand (participates in β ladder)trans-112.8125.4174.5-61.2-96.5000108W116 Y125 F126 I128 Q387 F491 Y498 S518 V520 V529 I532W116-F389 HydrophobicContact CH2-CB 4.14Å; W116-F389 HydrophobicContact CZ3-CB 4.17Å; Y125-F389 WeakPolarHBondContact CA-O 3.29Å; Y125-F389 VanDerWaalsContact CB-O 3.27Å; Y125-F389 WeakPolarHBondContact CB-O 3.31Å; F126-F389 HydrophobicContact CD1-CB 4.06Å; F126-F389 HydrophobicContact CD2-CD2 4.12Å; F126-F389 HydrophobicContact CE1-CB 3.6Å; F126-F389 HydrophobicContact CE1-CD2 4.07Å; F126-F389 AromaticContact CE1-CG 3.93Å; F126-F389 HydrophobicContact CE1-CG 3.93Å; F126-F389 HydrophobicContact CE2-CB 4.42Å; F126-F389 AromaticContact CE2-CD2 3.39Å; F126-F389 HydrophobicContact CE2-CD2 3.39Å; F126-F389 AromaticContact CE2-CE2 3.92Å; F126-F389 HydrophobicContact CE2-CE2 3.92Å; F126-F389 HydrophobicContact CE2-CG 4.1Å; F126-F389 HydrophobicContact CZ-CB 3.81Å; F126-F389 HydrophobicContact CZ-CD1 4.39Å; F126-F389 AromaticContact CZ-CD2 3.36Å; F126-F389 HydrophobicContact CZ-CD2 3.36Å; F126-F389 HydrophobicContact CZ-CE2 4.03Å; F126-F389 AromaticContact CZ-CG 3.59Å; F126-F389 HydrophobicContact CZ-CG 3.59Å; F126-F389 PolarHBondContact N-O 3.22Å; F126-F389 PolarHBondContact O-N 2.99Å; I128-F389 HydrophobicContact CD1-CE2 3.83Å; I128-F389 HydrophobicContact CG1-CE2 4.36Å; Q387-F389 HydrophobicContact CB-CE2 4.25Å; F389-F491 AromaticContact CD1-CE2 3.84Å; F389-F491 HydrophobicContact CD1-CE2 3.84Å; F389-F491 HydrophobicContact CD1-CZ 4.21Å; F389-F491 AromaticContact CE1-CE2 3.83Å; F389-F491 HydrophobicContact CE1-CE2 3.83Å; F389-F491 AromaticContact CE1-CZ 3.97Å; F389-F491 HydrophobicContact CE1-CZ 3.97Å; F389-Y498 AromaticContact CE1-CE2 3.79Å; F389-Y498 HydrophobicContact CE1-CE2 3.79Å; F389-Y498 AromaticContact CZ-CE2 3.75Å; F389-Y498 HydrophobicContact CZ-CE2 3.75Å; F389-Y498 AromaticContact CZ-CZ 3.64Å; F389-Y498 VanDerWaalsContact CZ-OH 3.24Å; F389-Y498 WeakPolarHBondContact CZ-OH 3.4Å; F389-S518 WeakPolarHBondContact CA-O 3.46Å; F389-V520 HydrophobicContact CB-CG2 4.48Å; F389-V520 HydrophobicContact CD1-CG2 4.4Å; F389-V529 HydrophobicContact CD1-CG1 4.25Å; F389-V529 HydrophobicContact CD1-CG2 4.27Å; F389-I532 HydrophobicContact CE1-CD1 4.21Å; F389-I532 HydrophobicContact CE1-CG2 4.38Å; F389-I532 HydrophobicContact CE2-CG2 4.2Å; F389-I532 HydrophobicContact CZ-CB 4.47Å; F389-I532 HydrophobicContact CZ-CD1 4.37Å; F389-I532 HydrophobicContact CZ-CG2 3.62Å
390L98Very high94.6Very high15 Ų1534.4 Ų34.48%0.07920%0.195CC..EExtended strand (participates in β ladder)trans-124.3122.4-178.8179.667.3000109.1V392 E400 S518 F519 V520L390-V392 HydrophobicContact CB-CG1 4.3Å; L390-V392 HydrophobicContact CD2-CG1 3.46Å; L390-V392 VanDerWaalsContact CD2-CG1 3.46Å; L390-V392 HydrophobicContact CG-CG1 3.48Å; L390-V392 VanDerWaalsContact CG-CG1 3.48Å; L390-V392 PolarHBondContact O-N 2.9Å; L390-E400 HydrophobicContact CD2-CG 4.46Å; L390-S518 PolarHBondContact N-O 3.3Å; L390-F519 HydrophobicContact CB-CD1 4.47Å; L390-F519 HydrophobicContact CD2-CD1 4.37Å; L390-F519 HydrophobicContact CD2-CE1 4.13Å; L390-V520 PolarHBondContact O-N 3.42Å
391K97.5Very high94.9Very high3 Ų331.8 Ų31.81%0.01318%0.183CC..EExtended strand (participates in β ladder)trans-77112.8172.7-176.177.5-156.9-176.40108.8W116 S121 F122 G123 D124 V520 T521 H522W116-K391 HydrophobicContact CB-CD 4.27Å; W116-K391 HydrophobicContact CD2-CB 4.05Å; W116-K391 HydrophobicContact CD2-CD 4.38Å; W116-K391 HydrophobicContact CE3-CB 3.98Å; W116-K391 HydrophobicContact CE3-CD 4.19Å; W116-K391 HydrophobicContact CG-CD 4.45Å; W116-K391 HydrophobicContact CH2-CB 4.37Å; W116-K391 HydrophobicContact CZ2-CB 4.43Å; W116-K391 HydrophobicContact CZ3-CB 4.14Å; W116-K391 WeakPolarHBondContact O-CE 3.33Å; W116-K391 PolarHBondContact O-NZ 3.27Å; W116-K391 VanDerWaalsContact O-NZ 3.14Å; S121-K391 WeakPolarHBondContact O-CB 3.33Å; S121-K391 WeakPolarHBondContact O-CG 3.28Å; F122-K391 HydrophobicContact CD1-CG 3.96Å; F122-K391 HydrophobicContact CE1-CG 4.5Å; G123-K391 PolarHBondContact N-O 3.13Å; D124-K391 WeakPolarHBondContact O-CB 3.36Å; D124-K391 PolarHBondContact O-N 3.22Å; K391-V520 WeakPolarHBondContact CA-O 3.45Å; K391-V520 HydrophobicContact CD-CB 4.38Å; K391-V520 HydrophobicContact CD-CG1 4.16Å; K391-V520 VanDerWaalsContact CD-O 3.31Å; K391-V520 WeakPolarHBondContact CD-O 3.02Å; K391-V520 WeakPolarHBondContact CE-O 3.42Å; K391-T521 WeakPolarHBondContact CE-O 3.25Å; K391-T521 VanDerWaalsContact NZ-C 3.34Å; K391-T521 PolarHBondContact NZ-O 3.38Å; K391-H522 PolarHBondContact NZ-O 2.93Å
392V96.8Very high95.2Very high7 Ų734.4 Ų34.44%0.04219%0.192CC..  trans-125.1152.8-175.7-63.40000111.6F122 L390 K397 E400 F519 V520F122-V392 VanDerWaalsContact CD1-C 3.48Å; F122-V392 VanDerWaalsContact CE1-O 3.32Å; F122-V392 WeakPolarHBondContact CE1-O 3.47Å; L390-V392 HydrophobicContact CB-CG1 4.3Å; L390-V392 HydrophobicContact CD2-CG1 3.46Å; L390-V392 VanDerWaalsContact CD2-CG1 3.46Å; L390-V392 HydrophobicContact CG-CG1 3.48Å; L390-V392 VanDerWaalsContact CG-CG1 3.48Å; L390-V392 PolarHBondContact O-N 2.9Å; V392-K397 HydrophobicContact CG2-CD 4.45Å; V392-K397 HydrophobicContact CG2-CG 3.66Å; V392-E400 HydrophobicContact CG1-CG 4.24Å; V392-F519 HydrophobicContact CG1-CD1 4.12Å; V392-F519 HydrophobicContact CG2-CB 3.63Å; V392-F519 HydrophobicContact CG2-CD1 4.22Å; V392-F519 HydrophobicContact CG2-CG 3.92Å; V392-V520 PolarHBondContact N-O 3.48Å
393K96.2Very high95.5Very high102 Ų10237.8 Ų37.844%0.44321%0.207SC..  trans-77.6148.4165.5-61.4176.6-178169.80108.7F122 A395 D396 K397F122-K393 HydrophobicContact CB-CG 4.11Å; F122-K393 HydrophobicContact CD1-CB 4.46Å; F122-K393 HydrophobicContact CD1-CG 3.63Å; F122-K393 HydrophobicContact CD2-CD 3.99Å; F122-K393 HydrophobicContact CD2-CG 3.44Å; F122-K393 VanDerWaalsContact CD2-CG 3.44Å; F122-K393 HydrophobicContact CE1-CB 4.43Å; F122-K393 HydrophobicContact CE1-CG 3.82Å; F122-K393 HydrophobicContact CE2-CD 4.31Å; F122-K393 HydrophobicContact CE2-CG 3.64Å; F122-K393 HydrophobicContact CG-CD 4.32Å; F122-K393 HydrophobicContact CG-CG 3.47Å; F122-K393 VanDerWaalsContact CG-CG 3.47Å; F122-K393 HydrophobicContact CZ-CG 3.84Å; K393-A395 PolarHBondContact O-N 3.34Å; K393-D396 WeakPolarHBondContact CB-OD2 3.29Å; K393-D396 PolarHBondContact O-N 2.74Å; K393-K397 PolarHBondContact O-N 3.13Å
394G94.3Very high95.8Very high42 Ų4239.6 Ų39.643%0.43321%0.212SC..G310 helixtrans-54.9-39179.300000113.5D396 K397G394-D396 VanDerWaalsContact C-N 3.29Å; G394-D396 PolarHBondContact O-N 2.77Å; G394-K397 PolarHBondContact O-N 2.8Å
395A94.2Very high96.1Very high91 Ų9139 Ų3975%0.75221%0.209SC*.G310 helixtrans-66.3-28.2178.900000113.7K393K393-A395 PolarHBondContact O-N 3.34Å
396D95.9Very high96.1Very high69 Ų6941.5 Ų41.537%0.36922%0.222SC..G310 helixtrans-88.5-15-174.3-57.3-28.5000112K393 G394 V398 L399 E400K393-D396 WeakPolarHBondContact CB-OD2 3.29Å; K393-D396 PolarHBondContact O-N 2.74Å; G394-D396 VanDerWaalsContact C-N 3.29Å; G394-D396 PolarHBondContact O-N 2.77Å; D396-V398 VanDerWaalsContact C-N 3.32Å; D396-V398 PolarHBondContact O-N 3.08Å; D396-L399 PolarHBondContact O-N 2.88Å; D396-L399 VanDerWaalsContact O-N 3.14Å; D396-E400 WeakPolarHBondContact O-CG 3.37Å; D396-E400 PolarHBondContact O-N 3.27Å
397K97Very high95.9Very high12 Ų1243.3 Ų43.35%0.05223%0.23CC..Hα-helixtrans-55.6-41.3-173.8-68.7177.169.7176.80113.9V392 K393 G394 L401 Y489 D490 F519V392-K397 HydrophobicContact CG2-CD 4.45Å; V392-K397 HydrophobicContact CG2-CG 3.66Å; K393-K397 PolarHBondContact O-N 3.13Å; G394-K397 PolarHBondContact O-N 2.8Å; K397-L401 WeakPolarHBondContact O-CB 3.29Å; K397-L401 PolarHBondContact O-N 3.33Å; K397-Y489 HydrophobicContact CB-CD2 4.33Å; K397-Y489 HydrophobicContact CB-CE2 3.5Å; K397-Y489 VanDerWaalsContact CB-CE2 3.5Å; K397-Y489 WeakPolarHBondContact CB-OH 3.5Å; K397-Y489 HydrophobicContact CD-CE1 4.29Å; K397-Y489 VanDerWaalsContact CE-CE1 3.48Å; K397-Y489 WeakPolarHBondContact CE-O 3.48Å; K397-Y489 PolarHBondContact NZ-O 2.69Å; K397-D490 IonicContact NZ-OD1 3.64Å; K397-D490 PolarHBondContact NZ-OD1 2.66Å; K397-F519 HydrophobicContact CB-CD2 4.17Å; K397-F519 HydrophobicContact CB-CE2 4.37Å; K397-F519 HydrophobicContact CG-CD2 4.17Å; K397-F519 WeakPolarHBondContact O-CE2 3.18Å
398V97.6Very high95.5Very high17 Ų1743.6 Ų43.610%0.10323%0.232CC..Hα-helixtrans-66.1-43.9-178.4-178.10000110.1D396 L401 Y402 F429 L430 M437 Y489D396-V398 VanDerWaalsContact C-N 3.32Å; D396-V398 PolarHBondContact O-N 3.08Å; V398-L401 PolarHBondContact O-N 3.28Å; V398-Y402 WeakPolarHBondContact O-CB 3.22Å; V398-Y402 PolarHBondContact O-N 3.39Å; V398-F429 HydrophobicContact CG2-CE1 3.98Å; V398-F429 HydrophobicContact CG2-CZ 4.33Å; V398-L430 HydrophobicContact CG2-CD1 4.25Å; V398-M437 HydrophobicContact CG1-CE 3.59Å; V398-M437 HydrophobicContact CG1-SD 4.13Å; V398-Y489 WeakPolarHBondContact CG2-OH 3.4Å
399L96.5Very high94.9Very high94 Ų9448.1 Ų48.149%0.49225%0.252SS..Hα-helixtrans-66.5-45.1179-177.964000111.3D396 Y402 Q403D396-L399 PolarHBondContact O-N 2.88Å; D396-L399 VanDerWaalsContact O-N 3.14Å; L399-Y402 WeakPolarHBondContact O-CB 3.14Å; L399-Y402 PolarHBondContact O-N 3.27Å; L399-Q403 WeakPolarHBondContact O-CG 3.17Å; L399-Q403 PolarHBondContact O-N 2.76Å; L399-Q403 VanDerWaalsContact O-N 3.07Å
400E96.8Very high94.2Very high51 Ų5155.1 Ų55.124%0.23829%0.285CS..Hα-helixtrans-57.6-50.6174.4-71.9-67.5155.300110.5L390 V392 D396 Y402 Q403 Y404 F519L390-E400 HydrophobicContact CD2-CG 4.46Å; V392-E400 HydrophobicContact CG1-CG 4.24Å; D396-E400 WeakPolarHBondContact O-CG 3.37Å; D396-E400 PolarHBondContact O-N 3.27Å; E400-Y402 VanDerWaalsContact C-N 3.3Å; E400-Y402 PolarHBondContact O-N 3.47Å; E400-Q403 WeakPolarHBondContact O-CB 3.41Å; E400-Q403 PolarHBondContact O-N 2.96Å; E400-Q403 VanDerWaalsContact O-N 3.12Å; E400-Y404 VanDerWaalsContact O-CD2 3.27Å; E400-Y404 WeakPolarHBondContact O-CD2 3.35Å; E400-Y404 PolarHBondContact O-N 2.84Å; E400-Y404 VanDerWaalsContact O-N 3.17Å; E400-F519 HydrophobicContact CB-CE1 4.02Å; E400-F519 HydrophobicContact CB-CE2 4.4Å; E400-F519 HydrophobicContact CB-CZ 3.66Å
401L97.5Very high93.3Very high0 Ų056.9 Ų56.90%029%0.292CS..Hα-helixtrans-55-47.8177.2176.566.8000111.6K397 V398 Q403 Y404 L405 V419 L430 L434 V487 Y489 F519K397-L401 WeakPolarHBondContact O-CB 3.29Å; K397-L401 PolarHBondContact O-N 3.33Å; V398-L401 PolarHBondContact O-N 3.28Å; L401-Q403 VanDerWaalsContact C-N 3.29Å; L401-Q403 PolarHBondContact O-N 3.21Å; L401-Y404 PolarHBondContact O-N 2.91Å; L401-L405 HydrophobicContact CD1-CD1 4.06Å; L401-L405 HydrophobicContact CD1-CD2 4.34Å; L401-L405 HydrophobicContact CD1-CG 3.95Å; L401-L405 HydrophobicContact CD2-CD1 4.25Å; L401-L405 HydrophobicContact CG-CD1 3.82Å; L401-L405 HydrophobicContact CG-CG 4.1Å; L401-L405 WeakPolarHBondContact O-CG 3.2Å; L401-L405 PolarHBondContact O-N 2.73Å; L401-V419 HydrophobicContact CD1-CG1 4.25Å; L401-V419 HydrophobicContact CD1-CG2 4.04Å; L401-V419 HydrophobicContact CD2-CG1 4.12Å; L401-L430 HydrophobicContact CD2-CD1 3.76Å; L401-L430 HydrophobicContact CD2-CD2 3.73Å; L401-L430 HydrophobicContact CD2-CG 4.11Å; L401-L434 HydrophobicContact CD2-CD1 3.98Å; L401-L434 HydrophobicContact CD2-CD2 4.47Å; L401-V487 HydrophobicContact CD1-CB 4.08Å; L401-V487 HydrophobicContact CD1-CG1 3.83Å; L401-V487 HydrophobicContact CD1-CG2 3.92Å; L401-Y489 HydrophobicContact CB-CD2 4.48Å; L401-Y489 HydrophobicContact CD2-CD2 4.08Å; L401-Y489 HydrophobicContact CD2-CE2 4.43Å; L401-F519 HydrophobicContact CB-CE2 4.1Å; L401-F519 HydrophobicContact CB-CZ 4.35Å
402Y96.5Very high91.5Very high77 Ų7766.6 Ų66.630%0.30234%0.335SS..Hα-helixtrans-56.2-43.8179.2174.1-96.6000111.8V398 L399 E400 Y404 L405 N406 M437 V439V398-Y402 WeakPolarHBondContact O-CB 3.22Å; V398-Y402 PolarHBondContact O-N 3.39Å; L399-Y402 WeakPolarHBondContact O-CB 3.14Å; L399-Y402 PolarHBondContact O-N 3.27Å; E400-Y402 VanDerWaalsContact C-N 3.3Å; E400-Y402 PolarHBondContact O-N 3.47Å; Y402-Y404 PolarHBondContact O-N 2.99Å; Y402-L405 PolarHBondContact O-N 3.36Å; Y402-N406 VanDerWaalsContact O-CB 3.29Å; Y402-N406 WeakPolarHBondContact O-CB 3.3Å; Y402-N406 PolarHBondContact O-N 3.4Å; Y402-M437 HydrophobicContact CD2-CB 4.02Å; Y402-M437 HydrophobicContact CD2-SD 3.9Å; Y402-M437 HydrophobicContact CE2-CB 4.06Å; Y402-M437 HydrophobicContact CG-SD 4.04Å; Y402-V439 HydrophobicContact CD2-CG2 3.69Å; Y402-V439 HydrophobicContact CE2-CG2 3.71Å
403Q94.8Very high90Very high97 Ų9770.1 Ų70.145%0.45337%0.373SS..Hα-helixtrans-60.9-44.4177.8-68.3174.612.400112.2L399 E400 L401 N406 K407L399-Q403 WeakPolarHBondContact O-CG 3.17Å; L399-Q403 PolarHBondContact O-N 2.76Å; L399-Q403 VanDerWaalsContact O-N 3.07Å; E400-Q403 WeakPolarHBondContact O-CB 3.41Å; E400-Q403 PolarHBondContact O-N 2.96Å; E400-Q403 VanDerWaalsContact O-N 3.12Å; L401-Q403 VanDerWaalsContact C-N 3.29Å; L401-Q403 PolarHBondContact O-N 3.21Å; Q403-N406 PolarHBondContact O-N 3.3Å; Q403-K407 WeakPolarHBondContact O-CB 3.27Å; Q403-K407 PolarHBondContact O-N 3.11Å
404Y94.3Very high88.9Confident57 Ų5766.6 Ų66.622%0.22437%0.365CS..Hα-helixtrans-67.3-40.8177.3-79.3-86000112.6E400 L401 Y402 N406 K407 L408 L517E400-Y404 VanDerWaalsContact O-CD2 3.27Å; E400-Y404 WeakPolarHBondContact O-CD2 3.35Å; E400-Y404 PolarHBondContact O-N 2.84Å; E400-Y404 VanDerWaalsContact O-N 3.17Å; L401-Y404 PolarHBondContact O-N 2.91Å; Y402-Y404 PolarHBondContact O-N 2.99Å; Y404-N406 VanDerWaalsContact C-N 3.35Å; Y404-K407 PolarHBondContact O-N 3.18Å; Y404-L408 WeakPolarHBondContact O-CB 3.21Å; Y404-L408 PolarHBondContact O-N 3.06Å; Y404-L517 HydrophobicContact CD1-CD2 3.73Å; Y404-L517 HydrophobicContact CD2-CD2 3.33Å; Y404-L517 HydrophobicContact CE1-CD1 4.19Å; Y404-L517 HydrophobicContact CE1-CD2 3.88Å; Y404-L517 HydrophobicContact CE2-CD1 4.19Å; Y404-L517 HydrophobicContact CE2-CD2 3.54Å; Y404-L517 HydrophobicContact CG-CD2 3.45Å; Y404-L517 VanDerWaalsContact CG-CD2 3.45Å
405L94.8Very high88.2Confident3 Ų365.7 Ų65.72%0.01636%0.356CS..Hα-helixtrans-64-41.1175.9-67.9-179.5000111.6L401 Y402 L408 Q409 A417 L434 V439 V467L401-L405 HydrophobicContact CD1-CD1 4.06Å; L401-L405 HydrophobicContact CD1-CD2 4.34Å; L401-L405 HydrophobicContact CD1-CG 3.95Å; L401-L405 HydrophobicContact CD2-CD1 4.25Å; L401-L405 HydrophobicContact CG-CD1 3.82Å; L401-L405 HydrophobicContact CG-CG 4.1Å; L401-L405 WeakPolarHBondContact O-CG 3.2Å; L401-L405 PolarHBondContact O-N 2.73Å; Y402-L405 PolarHBondContact O-N 3.36Å; L405-L408 PolarHBondContact O-N 2.78Å; L405-Q409 WeakPolarHBondContact O-CG 3.22Å; L405-Q409 PolarHBondContact O-N 2.89Å; L405-Q409 VanDerWaalsContact O-N 3.11Å; L405-A417 HydrophobicContact CD2-CB 3.49Å; L405-A417 VanDerWaalsContact CD2-CB 3.49Å; L405-L434 HydrophobicContact CD1-CD1 4.11Å; L405-L434 HydrophobicContact CD1-CD2 4.27Å; L405-V439 HydrophobicContact CD1-CG1 4.21Å; L405-V467 HydrophobicContact CD1-CG1 4.1Å; L405-V467 HydrophobicContact CD1-CG2 4.47Å; L405-V467 HydrophobicContact CD2-CG1 4.19Å; L405-V467 HydrophobicContact CD2-CG2 4.07Å
406N91.9Very high88.1Confident53 Ų5361.5 Ų61.528%0.28332%0.321SS..Hα-helixtrans-65.9-43.1177.6-164.322.6000111.3Y402 Q403 Y404 L408 Q409 H410Y402-N406 VanDerWaalsContact O-CB 3.29Å; Y402-N406 WeakPolarHBondContact O-CB 3.3Å; Y402-N406 PolarHBondContact O-N 3.4Å; Q403-N406 PolarHBondContact O-N 3.3Å; Y404-N406 VanDerWaalsContact C-N 3.35Å; N406-L408 VanDerWaalsContact C-N 3.33Å; N406-L408 PolarHBondContact O-N 3.43Å; N406-Q409 PolarHBondContact O-N 2.87Å; N406-H410 PolarHBondContact O-CD2 3.11Å; N406-H410 PolarHBondContact O-N 3.45Å; N406-H410 PolarHBondContact OD1-CD2 3.09Å; N406-H410 VanDerWaalsContact OD1-CD2 3.24Å; N406-H410 PolarHBondContact OD1-NE2 2.65Å
407K90.8Very high88.1Confident104 Ų10458.2 Ų58.245%0.45230%0.304SS..Hα-helixtrans-56.9-46.2173.5-178.9172.1-179.5-77.20111.7Q403 Y404 Q409 H410 E411Q403-K407 WeakPolarHBondContact O-CB 3.27Å; Q403-K407 PolarHBondContact O-N 3.11Å; Y404-K407 PolarHBondContact O-N 3.18Å; K407-Q409 VanDerWaalsContact C-N 3.31Å; K407-Q409 PolarHBondContact O-N 3.42Å; K407-H410 PolarHBondContact O-N 3.02Å; K407-E411 WeakPolarHBondContact CE-OE1 3.36Å; K407-E411 HydrophobicContact CG-CG 4.48Å; K407-E411 IonicContact NZ-OE1 3.51Å; K407-E411 PolarHBondContact NZ-OE1 3.18Å; K407-E411 WeakPolarHBondContact O-CG 3.4Å; K407-E411 PolarHBondContact O-N 3.19Å
408L89.1Confident88.1Confident9 Ų957.7 Ų57.75%0.04730%0.302CS..Hα-helixtrans-60.9-38.3178.2-17569.8000112.6Y404 L405 N406 H410 A417 R484 L485Y404-L408 WeakPolarHBondContact O-CB 3.21Å; Y404-L408 PolarHBondContact O-N 3.06Å; L405-L408 PolarHBondContact O-N 2.78Å; N406-L408 VanDerWaalsContact C-N 3.33Å; N406-L408 PolarHBondContact O-N 3.43Å; L408-H410 VanDerWaalsContact C-N 3.31Å; L408-H410 PolarHBondContact O-N 3.16Å; L408-A417 HydrophobicContact CD2-CB 3.78Å; L408-R484 HydrophobicContact CD1-CB 4.22Å; L408-R484 HydrophobicContact CD1-CG 3.98Å; L408-L485 HydrophobicContact CD1-CB 4.33Å; L408-L485 HydrophobicContact CD2-CB 3.89Å; L408-L485 HydrophobicContact CD2-CD2 4.21Å
409Q84.3Confident88.1Confident108 Ų10856.9 Ų56.951%0.50530%0.297SS..Hα-helixtrans-67.1-31.4178.2-73.3178.9-4.700112.9L405 N406 K407L405-Q409 WeakPolarHBondContact O-CG 3.22Å; L405-Q409 PolarHBondContact O-N 2.89Å; L405-Q409 VanDerWaalsContact O-N 3.11Å; N406-Q409 PolarHBondContact O-N 2.87Å; K407-Q409 VanDerWaalsContact C-N 3.31Å; K407-Q409 PolarHBondContact O-N 3.42Å
410H82.8Confident88.2Confident147 Ų14752.5 Ų52.568%0.68127%0.274SS*.Hα-helixtrans-93.1-12-178.2-71.9-62.9000114.5N406 K407 L408N406-H410 PolarHBondContact O-CD2 3.11Å; N406-H410 PolarHBondContact O-N 3.45Å; N406-H410 PolarHBondContact OD1-CD2 3.09Å; N406-H410 VanDerWaalsContact OD1-CD2 3.24Å; N406-H410 PolarHBondContact OD1-NE2 2.65Å; K407-H410 PolarHBondContact O-N 3.02Å; L408-H410 VanDerWaalsContact C-N 3.31Å; L408-H410 PolarHBondContact O-N 3.16Å
411E79.6Confident88.2Confident51 Ų5150.1 Ų50.124%0.23826%0.262CS..SBendtrans-68.9140.2176.3-83.5178.5-177.400112.2K407 G413 G414 R484K407-E411 WeakPolarHBondContact CE-OE1 3.36Å; K407-E411 HydrophobicContact CG-CG 4.48Å; K407-E411 IonicContact NZ-OE1 3.51Å; K407-E411 PolarHBondContact NZ-OE1 3.18Å; K407-E411 WeakPolarHBondContact O-CG 3.4Å; K407-E411 PolarHBondContact O-N 3.19Å; E411-G413 PolarHBondContact O-N 2.99Å; E411-G414 PolarHBondContact O-N 2.97Å; E411-G414 VanDerWaalsContact O-N 3.13Å; E411-R484 IonicContact OE2-CZ 3.49Å; E411-R484 IonicContact OE2-NE 3.55Å; E411-R484 IonicContact OE2-NH2 2.73Å; E411-R484 PolarHBondContact OE2-NH2 2.86Å
412K60.3Low88Confident207 Ų20752.2 Ų52.290%0.927%0.274SS*.THydrogen-bonded Turntrans-60.3122.9176-71.8-174.4177.7-1770109.5
413G64.3Low87.9Confident82 Ų8255 Ų5585%0.84529%0.287SS*.THydrogen-bonded Turntrans107.6-16.8-17800000114.1E411E411-G413 PolarHBondContact O-N 2.99Å
414G73.3Confident87.9Confident28 Ų2851.5 Ų51.529%0.28927%0.274SS..  trans57.9-167.6-176.100000112.7E411 R484E411-G414 PolarHBondContact O-N 2.97Å; E411-G414 VanDerWaalsContact O-N 3.13Å; G414-R484 VanDerWaalsContact O-CD 3.29Å; G414-R484 WeakPolarHBondContact O-CD 3.49Å
415G80.3Confident88Confident23 Ų2352.6 Ų52.624%0.23729%0.29CS..  trans166.3160.3174.600000112.7
416A92.8Very high88Confident3 Ų353.7 Ų53.73%0.02530%0.297CS..EExtended strand (participates in β ladder)trans-91.5145.4170.800000111.1F460 N466 R482 V483 R484 L485A416-F460 HydrophobicContact CB-CE2 3.8Å; A416-F460 HydrophobicContact CB-CZ 3.72Å; A416-N466 CarbonylContact C-O 3.45Å; A416-N466 WeakPolarHBondContact CA-O 3.32Å; A416-N466 WeakPolarHBondContact CB-O 3.3Å; A416-R482 WeakPolarHBondContact CB-O 3.4Å; A416-R482 PolarHBondContact N-O 3.14Å; A416-V483 HydrophobicContact CB-CG2 4.46Å; A416-V483 WeakPolarHBondContact O-CA 3.17Å; A416-R484 PolarHBondContact O-N 3.11Å; A416-L485 PolarHBondContact O-N 2.83Å
417A95.5Very high88.3Confident0 Ų051.2 Ų51.20%028%0.283CS..EExtended strand (participates in β ladder)trans-110.4135.9172.800000110.9L405 L408 N466 V467 L468 L485L405-A417 HydrophobicContact CD2-CB 3.49Å; L405-A417 VanDerWaalsContact CD2-CB 3.49Å; L408-A417 HydrophobicContact CD2-CB 3.78Å; A417-N466 PolarHBondContact N-O 2.95Å; A417-V467 HydrophobicContact CB-CG2 4.41Å; A417-V467 WeakPolarHBondContact O-CA 3.4Å; A417-L468 PolarHBondContact O-N 3.27Å; A417-L485 CarbonylContact C-O 3.58Å; A417-L485 VanDerWaalsContact CA-O 3.23Å; A417-L485 WeakPolarHBondContact CA-O 3.39Å; A417-L485 HydrophobicContact CB-CB 4.3Å; A417-L485 HydrophobicContact CB-CD2 4.39Å
418L96.3Very high88.6Confident1 Ų148.6 Ų48.61%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-114.6115.8172.3-169.265.4000109.2F420 L468 C470 T480 V483 L485 V486 V487 R504L418-F420 HydrophobicContact CB-CE2 4.45Å; L418-F420 HydrophobicContact CD2-CD2 4.47Å; L418-F420 HydrophobicContact CD2-CE2 3.44Å; L418-F420 VanDerWaalsContact CD2-CE2 3.44Å; L418-F420 HydrophobicContact CD2-CZ 3.55Å; L418-F420 HydrophobicContact CG-CD2 4.28Å; L418-F420 HydrophobicContact CG-CE2 3.68Å; L418-F420 HydrophobicContact CG-CZ 4.09Å; L418-L468 HydrophobicContact CD1-CB 3.79Å; L418-L468 HydrophobicContact CD1-CD2 3.66Å; L418-L468 HydrophobicContact CD1-CG 3.86Å; L418-C470 VanDerWaalsContact CD1-SG 3.55Å; L418-T480 HydrophobicContact CD2-CG2 3.99Å; L418-V483 HydrophobicContact CB-CG1 3.91Å; L418-V483 HydrophobicContact CB-CG2 4.37Å; L418-L485 PolarHBondContact N-O 3.48Å; L418-V486 HydrophobicContact CB-CG2 4.36Å; L418-V486 CarbonylContact O-C 3.59Å; L418-V486 WeakPolarHBondContact O-CA 3.28Å; L418-V487 PolarHBondContact O-N 2.81Å; L418-R504 HydrophobicContact CD2-CB 3.81Å; L418-R504 HydrophobicContact CD2-CG 3.74Å
419V97.9Very high89Confident0 Ų053.6 Ų53.60%030%0.296CS..EExtended strand (participates in β ladder)trans-109.5114.1-173.8-1740000109.4L401 L430 V467 L468 I469 C470 V487L401-V419 HydrophobicContact CD1-CG1 4.25Å; L401-V419 HydrophobicContact CD1-CG2 4.04Å; L401-V419 HydrophobicContact CD2-CG1 4.12Å; V419-L430 HydrophobicContact CG1-CD2 3.79Å; V419-V467 HydrophobicContact CG2-CG1 4.21Å; V419-L468 PolarHBondContact N-O 3.25Å; V419-I469 HydrophobicContact CB-CG1 4.41Å; V419-I469 HydrophobicContact CB-CG2 4.4Å; V419-I469 HydrophobicContact CG1-CG2 4.46Å; V419-I469 CarbonylContact O-C 3.55Å; V419-I469 WeakPolarHBondContact O-CA 3.28Å; V419-C470 PolarHBondContact O-N 3.09Å; V419-V487 CarbonylContact C-O 3.52Å; V419-V487 WeakPolarHBondContact CA-O 3.1Å; V419-V487 HydrophobicContact CG1-CB 4.34Å; V419-V487 HydrophobicContact CG2-CB 4.3Å; V419-V487 HydrophobicContact CG2-CG2 4.46Å
420F98Very high89.6Confident2 Ų248.5 Ų48.51%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-94.1131.4-177.5-76.4-89.5000112.8L418 C470 S475 V486 V487 Y489 D490 R501 R504L418-F420 HydrophobicContact CB-CE2 4.45Å; L418-F420 HydrophobicContact CD2-CD2 4.47Å; L418-F420 HydrophobicContact CD2-CE2 3.44Å; L418-F420 VanDerWaalsContact CD2-CE2 3.44Å; L418-F420 HydrophobicContact CD2-CZ 3.55Å; L418-F420 HydrophobicContact CG-CD2 4.28Å; L418-F420 HydrophobicContact CG-CE2 3.68Å; L418-F420 HydrophobicContact CG-CZ 4.09Å; F420-C470 WeakPolarHBondContact CA-O 3.42Å; F420-S475 WeakPolarHBondContact CE1-OG 3.24Å; F420-V486 HydrophobicContact CD2-CG1 3.93Å; F420-V486 HydrophobicContact CE2-CG1 3.95Å; F420-V487 PolarHBondContact N-O 3.26Å; F420-Y489 WeakPolarHBondContact O-CB 3.37Å; F420-Y489 PolarHBondContact O-N 2.76Å; F420-D490 PolarHBondContact O-N 2.86Å; F420-D490 VanDerWaalsContact O-N 3.16Å; F420-R501 HydrophobicContact CB-CG 4.48Å; F420-R501 HydrophobicContact CD1-CG 3.68Å; F420-R501 HydrophobicContact CD2-CB 4.01Å; F420-R501 HydrophobicContact CD2-CG 3.9Å; F420-R501 HydrophobicContact CE1-CB 4.46Å; F420-R501 HydrophobicContact CE1-CG 3.66Å; F420-R501 HydrophobicContact CE2-CB 3.86Å; F420-R501 HydrophobicContact CE2-CG 3.92Å; F420-R501 HydrophobicContact CG-CB 4.4Å; F420-R501 HydrophobicContact CG-CG 3.78Å; F420-R501 HydrophobicContact CZ-CB 4.12Å; F420-R501 HydrophobicContact CZ-CG 3.81Å; F420-R504 HydrophobicContact CE2-CG 4.28Å; F420-R504 HydrophobicContact CZ-CG 4Å
421C97.3Very high90.3Very high0 Ų041.5 Ų41.50%024%0.239CC..  trans-124.1149.1169.3-49.60000109.9T426 V427 C470 T471C421-T426 HydrophobicContact CB-CG2 3.91Å; C421-V427 HydrophobicContact CB-CG2 3.75Å; C421-C470 PolarHBondContact N-O 3.33Å; C421-T471 WeakPolarHBondContact O-CA 3.48Å
422N94.3Very high91.1Very high45 Ų4545 Ų4524%0.24125%0.252CS..SBendtrans-76.9-29-178.9-63.64.4000111.2D490 F491 E493 R501N422-D490 HydrophobicContact CB-CB 4.25Å; N422-D490 PolarHBondContact N-OD2 3.47Å; N422-D490 VanDerWaalsContact N-OD2 3.08Å; N422-D490 WeakPolarHBondContact OD1-CB 3.38Å; N422-F491 PolarHBondContact ND2-O 3.41Å; N422-F491 VanDerWaalsContact ND2-O 3.14Å; N422-F491 PolarHBondContact OD1-O 2.99Å; N422-E493 WeakPolarHBondContact ND2-CG 3.34Å; N422-E493 PolarHBondContact ND2-OE1 3.37Å; N422-R501 PolarHBondContact OD1-NH2 3.26Å
423K93.9Very high92.9Very high135 Ų13536 Ų3659%0.58722%0.215SC*.SBendtrans-121.6144.7-173.9-60.3-178.6-177.8-1800112.4S425 T426 V427K423-S425 PolarHBondContact O-N 3.46Å; K423-T426 PolarHBondContact O-N 3.02Å; K423-T426 VanDerWaalsContact O-N 3.12Å; K423-V427 PolarHBondContact O-N 2.86Å
424S94.1Very high94.4Very high24 Ų2432.1 Ų32.117%0.16818%0.175CC..Hα-helixtrans-57.8-35.8173.6-53.70000112.3T426 V427 N428 E447S424-T426 PolarHBondContact O-N 3.47Å; S424-V427 WeakPolarHBondContact O-CB 3.39Å; S424-V427 PolarHBondContact O-N 3.45Å; S424-N428 PolarHBondContact O-N 3.37Å; S424-N428 PolarHBondContact O-ND2 3.47Å; S424-E447 PolarHBondContact OG-OE1 3.3Å
425S95.6Very high95.5Very high79 Ų7936.6 Ų36.655%0.55219%0.188SC*.Hα-helixtrans-61.4-41.6175.954.80000112.3K423 N428 F429K423-S425 PolarHBondContact O-N 3.46Å; S425-N428 PolarHBondContact O-N 3.17Å; S425-F429 WeakPolarHBondContact O-CB 3.33Å; S425-F429 PolarHBondContact O-N 2.74Å
426T96.4Very high96.3Very high27 Ų2743.4 Ų43.417%0.16621%0.213CC..Hα-helixtrans-65.7-39.5175.5-49.10000111.4C421 K423 S424 N428 F429 L430 Y489 D490C421-T426 HydrophobicContact CB-CG2 3.91Å; K423-T426 PolarHBondContact O-N 3.02Å; K423-T426 VanDerWaalsContact O-N 3.12Å; S424-T426 PolarHBondContact O-N 3.47Å; T426-N428 VanDerWaalsContact C-N 3.29Å; T426-N428 PolarHBondContact O-N 3.18Å; T426-F429 PolarHBondContact O-N 2.96Å; T426-L430 VanDerWaalsContact O-CB 3.23Å; T426-L430 WeakPolarHBondContact O-CB 3.38Å; T426-L430 PolarHBondContact O-N 2.92Å; T426-Y489 HydrophobicContact CG2-CD1 3.95Å; T426-Y489 HydrophobicContact CG2-CE1 3.79Å; T426-D490 WeakPolarHBondContact CG2-OD2 3.25Å
427V97.4Very high96.4Very high0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-59.6-42174.7178.10000110.9C421 K423 S424 G431 R443 Q445 I469 T471C421-V427 HydrophobicContact CB-CG2 3.75Å; K423-V427 PolarHBondContact O-N 2.86Å; S424-V427 WeakPolarHBondContact O-CB 3.39Å; S424-V427 PolarHBondContact O-N 3.45Å; V427-G431 PolarHBondContact O-N 2.68Å; V427-R443 HydrophobicContact CG1-CB 3.91Å; V427-R443 HydrophobicContact CG1-CG 4.04Å; V427-Q445 HydrophobicContact CB-CG 3.99Å; V427-Q445 HydrophobicContact CG1-CG 3.77Å; V427-Q445 HydrophobicContact CG2-CG 4.31Å; V427-I469 HydrophobicContact CB-CG2 4.28Å; V427-I469 HydrophobicContact CG1-CB 4.12Å; V427-I469 HydrophobicContact CG1-CG2 3.82Å; V427-I469 HydrophobicContact CG2-CG2 4.3Å; V427-T471 HydrophobicContact CG2-CG2 3.83Å
428N96.6Very high96.4Very high50 Ų5056 Ų5627%0.26727%0.27SS..Hα-helixtrans-67.8-49.7177.8-73.6-38.9000112.1S424 S425 T426 L430 G431 Y432 R443 Q445S424-N428 PolarHBondContact O-N 3.37Å; S424-N428 PolarHBondContact O-ND2 3.47Å; S425-N428 PolarHBondContact O-N 3.17Å; T426-N428 VanDerWaalsContact C-N 3.29Å; T426-N428 PolarHBondContact O-N 3.18Å; N428-L430 PolarHBondContact O-N 3.47Å; N428-G431 PolarHBondContact O-N 3.01Å; N428-Y432 HydrophobicContact CB-CE2 4.29Å; N428-Y432 WeakPolarHBondContact O-CD2 3.28Å; N428-Y432 PolarHBondContact O-N 3.03Å; N428-R443 PolarHBondContact OD1-NH1 2.66Å; N428-Q445 VanDerWaalsContact CG-NE2 3.28Å; N428-Q445 PolarHBondContact ND2-NE2 3.02Å; N428-Q445 PolarHBondContact ND2-OE1 2.82Å; N428-Q445 PolarHBondContact OD1-NE2 2.94Å
429F97.3Very high96.3Very high114 Ų11456.5 Ų56.550%0.527%0.273SS..Hα-helixtrans-52.8-53.4175.6166.4-100.5000111.2V398 S425 T426 G431 Y432 S433V398-F429 HydrophobicContact CG2-CE1 3.98Å; V398-F429 HydrophobicContact CG2-CZ 4.33Å; S425-F429 WeakPolarHBondContact O-CB 3.33Å; S425-F429 PolarHBondContact O-N 2.74Å; T426-F429 PolarHBondContact O-N 2.96Å; F429-G431 VanDerWaalsContact C-N 3.29Å; F429-G431 PolarHBondContact O-N 2.94Å; F429-Y432 PolarHBondContact O-N 3.42Å; F429-S433 PolarHBondContact O-N 3.47Å; F429-S433 PolarHBondContact O-OG 3.48Å
430L97.7Very high96.1Very high0 Ų063 Ų630%030%0.301CS..Hα-helixtrans-64.1-36.8-177.6-172.859.7000112.1V398 L401 V419 T426 N428 S433 L434 I469 Y489V398-L430 HydrophobicContact CG2-CD1 4.25Å; L401-L430 HydrophobicContact CD2-CD1 3.76Å; L401-L430 HydrophobicContact CD2-CD2 3.73Å; L401-L430 HydrophobicContact CD2-CG 4.11Å; V419-L430 HydrophobicContact CG1-CD2 3.79Å; T426-L430 VanDerWaalsContact O-CB 3.23Å; T426-L430 WeakPolarHBondContact O-CB 3.38Å; T426-L430 PolarHBondContact O-N 2.92Å; N428-L430 PolarHBondContact O-N 3.47Å; L430-S433 PolarHBondContact O-N 3.06Å; L430-L434 HydrophobicContact CD1-CD1 4.37Å; L430-L434 HydrophobicContact CD1-CG 4.29Å; L430-L434 HydrophobicContact CG-CD1 4.1Å; L430-L434 HydrophobicContact CG-CG 4.43Å; L430-L434 WeakPolarHBondContact O-CB 3.34Å; L430-L434 WeakPolarHBondContact O-CG 3.27Å; L430-L434 PolarHBondContact O-N 3.43Å; L430-I469 HydrophobicContact CD2-CD1 4.43Å; L430-I469 HydrophobicContact CD2-CG2 3.92Å; L430-I469 HydrophobicContact CG-CD1 4.19Å; L430-Y489 HydrophobicContact CD1-CD2 4.3Å; L430-Y489 HydrophobicContact CD1-CE2 3.78Å; L430-Y489 HydrophobicContact CD2-CD1 4.3Å; L430-Y489 HydrophobicContact CD2-CD2 3.91Å; L430-Y489 HydrophobicContact CD2-CE2 4.19Å; L430-Y489 HydrophobicContact CD2-CG 3.96Å
431G97.3Very high96Very high0 Ų064.5 Ų64.50%031%0.308CS..Hα-helixtrans-62-47.1174.900000112.5V427 N428 F429 S433 L434 E435 H441V427-G431 PolarHBondContact O-N 2.68Å; N428-G431 PolarHBondContact O-N 3.01Å; F429-G431 VanDerWaalsContact C-N 3.29Å; F429-G431 PolarHBondContact O-N 2.94Å; G431-S433 PolarHBondContact O-N 2.9Å; G431-L434 PolarHBondContact O-N 3.21Å; G431-E435 WeakPolarHBondContact O-CB 3.18Å; G431-E435 PolarHBondContact O-N 2.94Å; G431-H441 WeakPolarHBondContact CA-NE2 3.23Å; G431-H441 PolarHBondContact O-CE1 2.93Å; G431-H441 PolarHBondContact O-NE2 2.79Å
432Y97.5Very high95.9Very high126 Ų12665.2 Ų65.249%0.49431%0.314SS..Hα-helixtrans-62.6-43.3176.1-62.9-52000111.9N428 F429 L434 E435 E436N428-Y432 HydrophobicContact CB-CE2 4.29Å; N428-Y432 WeakPolarHBondContact O-CD2 3.28Å; N428-Y432 PolarHBondContact O-N 3.03Å; F429-Y432 PolarHBondContact O-N 3.42Å; Y432-L434 VanDerWaalsContact C-N 3.33Å; Y432-L434 PolarHBondContact O-N 3Å; Y432-E435 WeakPolarHBondContact O-CB 3.03Å; Y432-E435 PolarHBondContact O-N 3.22Å; Y432-E436 PolarHBondContact O-N 2.88Å; Y432-E436 VanDerWaalsContact O-N 3.08Å
433S97.2Very high96Very high18 Ų1866.3 Ų66.313%0.12632%0.315CS..Hα-helixtrans-59.2-42.6175.7-580000112.8F429 L430 G431 M437F429-S433 PolarHBondContact O-N 3.47Å; F429-S433 PolarHBondContact O-OG 3.48Å; L430-S433 PolarHBondContact O-N 3.06Å; G431-S433 PolarHBondContact O-N 2.9Å; S433-M437 WeakPolarHBondContact O-CG 3.21Å; S433-M437 PolarHBondContact O-N 2.88Å
434L96.4Very high96Very high0 Ų059.9 Ų59.90%029%0.287CS..Hα-helixtrans-73.7-29179.9-73.9179.7000112.6L401 L405 L430 G431 Y432 M437 K438 V439 I469L401-L434 HydrophobicContact CD2-CD1 3.98Å; L401-L434 HydrophobicContact CD2-CD2 4.47Å; L405-L434 HydrophobicContact CD1-CD1 4.11Å; L405-L434 HydrophobicContact CD1-CD2 4.27Å; L430-L434 HydrophobicContact CD1-CD1 4.37Å; L430-L434 HydrophobicContact CD1-CG 4.29Å; L430-L434 HydrophobicContact CG-CD1 4.1Å; L430-L434 HydrophobicContact CG-CG 4.43Å; L430-L434 WeakPolarHBondContact O-CB 3.34Å; L430-L434 WeakPolarHBondContact O-CG 3.27Å; L430-L434 PolarHBondContact O-N 3.43Å; G431-L434 PolarHBondContact O-N 3.21Å; Y432-L434 VanDerWaalsContact C-N 3.33Å; Y432-L434 PolarHBondContact O-N 3Å; L434-M437 CarbonylContact O-C 3.54Å; L434-M437 PolarHBondContact O-N 3.24Å; L434-K438 PolarHBondContact O-N 3.27Å; L434-V439 HydrophobicContact CB-CB 4.21Å; L434-V439 HydrophobicContact CD2-CB 4.35Å; L434-V439 HydrophobicContact CD2-CG2 4.24Å; L434-V439 PolarHBondContact O-N 2.65Å; L434-I469 HydrophobicContact CD1-CD1 3.8Å
435E96.2Very high95.8Very high121 Ų12159.2 Ų59.257%0.56528%0.281SS*.Hα-helixtrans-64.5-44.8172.5-169.9165.2-15800111.4G431 Y432 M437 K438G431-E435 WeakPolarHBondContact O-CB 3.18Å; G431-E435 PolarHBondContact O-N 2.94Å; Y432-E435 WeakPolarHBondContact O-CB 3.03Å; Y432-E435 PolarHBondContact O-N 3.22Å; E435-M437 PolarHBondContact O-N 3.02Å; E435-K438 WeakPolarHBondContact O-CA 3.42Å; E435-K438 PolarHBondContact O-N 3.45Å
436E96.1Very high95.2Very high166 Ų16656.7 Ų56.778%0.77627%0.268SS*.Hα-helixtrans-59.4-36.5172.9-71.1179.2178.500112Y432 K438Y432-E436 PolarHBondContact O-N 2.88Å; Y432-E436 VanDerWaalsContact O-N 3.08Å; E436-K438 PolarHBondContact O-N 3.03Å
437M95.4Very high94.5Very high73 Ų7363.1 Ų63.136%0.3630%0.296SS..THydrogen-bonded Turntrans-79.36.2174.4-63.2180-173.500113.7V398 Y402 S433 L434 E435 V439V398-M437 HydrophobicContact CG1-CE 3.59Å; V398-M437 HydrophobicContact CG1-SD 4.13Å; Y402-M437 HydrophobicContact CD2-CB 4.02Å; Y402-M437 HydrophobicContact CD2-SD 3.9Å; Y402-M437 HydrophobicContact CE2-CB 4.06Å; Y402-M437 HydrophobicContact CG-SD 4.04Å; S433-M437 WeakPolarHBondContact O-CG 3.21Å; S433-M437 PolarHBondContact O-N 2.88Å; L434-M437 CarbonylContact O-C 3.54Å; L434-M437 PolarHBondContact O-N 3.24Å; E435-M437 PolarHBondContact O-N 3.02Å; M437-V439 HydrophobicContact CB-CG2 4.33Å; M437-V439 PolarHBondContact O-N 3.37Å
438K95.2Very high94Very high195 Ų19565.3 Ų65.385%0.84831%0.307SS*.THydrogen-bonded Turntrans59.627.9179-54.9-179.8-179.7177.60114.2L434 E435 E436L434-K438 PolarHBondContact O-N 3.27Å; E435-K438 WeakPolarHBondContact O-CA 3.42Å; E435-K438 PolarHBondContact O-N 3.45Å; E436-K438 PolarHBondContact O-N 3.03Å
439V94.3Very high93.5Very high12 Ų1267.3 Ų67.37%0.07332%0.322CS..  trans-87.3116.4175.21790000109.4Y402 L405 L434 M437 H441 V467Y402-V439 HydrophobicContact CD2-CG2 3.69Å; Y402-V439 HydrophobicContact CE2-CG2 3.71Å; L405-V439 HydrophobicContact CD1-CG1 4.21Å; L434-V439 HydrophobicContact CB-CB 4.21Å; L434-V439 HydrophobicContact CD2-CB 4.35Å; L434-V439 HydrophobicContact CD2-CG2 4.24Å; L434-V439 PolarHBondContact O-N 2.65Å; M437-V439 HydrophobicContact CB-CG2 4.33Å; M437-V439 PolarHBondContact O-N 3.37Å; V439-H441 PolarHBondContact O-N 3.2Å; V439-H441 PolarHBondContact O-ND1 3.23Å; V439-V467 HydrophobicContact CG1-CG2 4.38Å
440K94Very high92.6Very high135 Ų13562.5 Ų62.559%0.58730%0.304SS*.  trans-67.3117.3174.9-169.1-176.1-169.9-1740110.4T464K440-T464 VanDerWaalsContact CE-O 3.28Å; K440-T464 WeakPolarHBondContact CE-O 3.5Å; K440-T464 PolarHBondContact NZ-O 3.32Å
441H95.9Very high91.9Very high34 Ų3466.8 Ų66.816%0.15733%0.329CS..  trans-145.2169.8-178.467.2-82000111.3G431 V439 V467 I469G431-H441 WeakPolarHBondContact CA-NE2 3.23Å; G431-H441 PolarHBondContact O-CE1 2.93Å; G431-H441 PolarHBondContact O-NE2 2.79Å; V439-H441 PolarHBondContact O-N 3.2Å; V439-H441 PolarHBondContact O-ND1 3.23Å; H441-V467 CarbonylContact C-O 3.51Å; H441-V467 VanDerWaalsContact CA-O 3.24Å; H441-V467 WeakPolarHBondContact CA-O 3.45Å; H441-V467 HydrophobicContact CB-CB 3.83Å; H441-V467 HydrophobicContact CB-CG1 3.93Å; H441-I469 HydrophobicContact CB-CD1 4.41Å; H441-I469 VanDerWaalsContact CD2-CD1 3.46Å; H441-I469 WeakPolarHBondContact CD2-CD1 3.39Å
442A95.9Very high91.4Very high15 Ų1570 Ų7012%0.12435%0.349CS..EExtended strand (participates in β ladder)trans-127.3153.9169.700000109.8I456 V465 V467 L468 I469A442-I456 HydrophobicContact CB-CG2 3.82Å; A442-V465 HydrophobicContact CB-CG1 3.96Å; A442-V467 PolarHBondContact N-O 3.04Å; A442-L468 HydrophobicContact CB-CD1 3.93Å; A442-I469 PolarHBondContact O-N 3.38Å
443R95.8Very high91Very high68 Ų6865.7 Ų65.726%0.25733%0.332SS..EExtended strand (participates in β ladder)trans-114.3134.5179-65.2-180-69.9-172.11.9109.7V427 N428 I456 I469V427-R443 HydrophobicContact CG1-CB 3.91Å; V427-R443 HydrophobicContact CG1-CG 4.04Å; N428-R443 PolarHBondContact OD1-NH1 2.66Å; R443-I456 WeakPolarHBondContact O-CD1 3.29Å; R443-I469 CarbonylContact C-O 3.52Å; R443-I469 WeakPolarHBondContact CA-O 3.34Å
444L92.8Very high90.3Very high0 Ų067.1 Ų67.10%034%0.34CS..EExtended strand (participates in β ladder)trans-133.8114.5179.5-170.372.3000110.8R453 I456 L468 I469 C470 T471 A474 L478L444-R453 HydrophobicContact CD1-CB 3.69Å; L444-R453 HydrophobicContact CD1-CG 3.84Å; L444-I456 HydrophobicContact CB-CG2 4.49Å; L444-I456 HydrophobicContact CD1-CB 4.33Å; L444-I456 HydrophobicContact CD1-CG2 4.13Å; L444-L468 HydrophobicContact CB-CD1 3.91Å; L444-L468 HydrophobicContact CB-CG 4.5Å; L444-L468 HydrophobicContact CD2-CD2 4.29Å; L444-I469 PolarHBondContact N-O 2.91Å; L444-C470 HydrophobicContact CB-CB 4.06Å; L444-C470 WeakPolarHBondContact O-CA 3.16Å; L444-C470 WeakPolarHBondContact O-CB 3.3Å; L444-T471 PolarHBondContact O-N 2.87Å; L444-A474 HydrophobicContact CD2-CB 4.33Å; L444-A474 VanDerWaalsContact CD2-O 3.23Å; L444-A474 WeakPolarHBondContact CD2-O 3.21Å; L444-A474 HydrophobicContact CG-CB 3.98Å; L444-A474 WeakPolarHBondContact O-CB 3.3Å; L444-L478 HydrophobicContact CD2-CD1 3.72Å
445Q90.5Very high89.9Confident11 Ų1169.1 Ų69.15%0.05136%0.36CS..  trans-131.6153.2-174-58.3163.417.700110.4V427 N428 E447 M448 R453V427-Q445 HydrophobicContact CB-CG 3.99Å; V427-Q445 HydrophobicContact CG1-CG 3.77Å; V427-Q445 HydrophobicContact CG2-CG 4.31Å; N428-Q445 VanDerWaalsContact CG-NE2 3.28Å; N428-Q445 PolarHBondContact ND2-NE2 3.02Å; N428-Q445 PolarHBondContact ND2-OE1 2.82Å; N428-Q445 PolarHBondContact OD1-NE2 2.94Å; Q445-E447 VanDerWaalsContact C-N 3.32Å; Q445-E447 PolarHBondContact O-N 3.07Å; Q445-M448 HydrophobicContact CB-CG 4.08Å; Q445-M448 HydrophobicContact CB-SD 4.16Å; Q445-M448 PolarHBondContact N-SD 3.4Å; Q445-M448 VanDerWaalsContact N-SD 3.4Å; Q445-M448 WeakPolarHBondContact O-CB 3.27Å; Q445-M448 PolarHBondContact O-N 3.05Å; Q445-R453 VanDerWaalsContact O-CD 3.29Å; Q445-R453 WeakPolarHBondContact O-CD 3.46Å
446G82.4Confident89.6Confident26 Ų2665 Ų6527%0.26834%0.342SS..THydrogen-bonded Turntrans-60.9-37.9-176.300000113.8M448 R453G446-M448 PolarHBondContact O-N 2.85Å; G446-R453 PolarHBondContact O-NH1 3.06Å
447E82.7Confident89.2Confident162 Ų16257.5 Ų57.576%0.75731%0.307SS*.THydrogen-bonded Turntrans-70.9-15.2-177.7-68.3162.6-140.700114S424 Q445S424-E447 PolarHBondContact OG-OE1 3.3Å; Q445-E447 VanDerWaalsContact C-N 3.32Å; Q445-E447 PolarHBondContact O-N 3.07Å
448M87.6Confident88.8Confident46 Ų4658.4 Ų58.423%0.22731%0.31CS..SBendtrans-67.9144.5-179.1-62.9177.178.100111Q445 G446 A450 V452 R453 I456Q445-M448 HydrophobicContact CB-CG 4.08Å; Q445-M448 HydrophobicContact CB-SD 4.16Å; Q445-M448 PolarHBondContact N-SD 3.4Å; Q445-M448 VanDerWaalsContact N-SD 3.4Å; Q445-M448 WeakPolarHBondContact O-CB 3.27Å; Q445-M448 PolarHBondContact O-N 3.05Å; G446-M448 PolarHBondContact O-N 2.85Å; M448-A450 PolarHBondContact O-N 2.82Å; M448-V452 HydrophobicContact CE-CG1 3.76Å; M448-R453 HydrophobicContact CB-CG 3.66Å; M448-I456 HydrophobicContact CE-CD1 3.4Å; M448-I456 VanDerWaalsContact CE-CD1 3.4Å; M448-I456 HydrophobicContact SD-CD1 4.39Å
449P85.4Confident88.6Confident91 Ų9150.6 Ų50.659%0.59128%0.28SS*.  trans-55.5131.1172.6-2433.2000110.9V451 V452 R453P449-V451 PolarHBondContact O-N 2.93Å; P449-V451 VanDerWaalsContact O-N 3.08Å; P449-V452 HydrophobicContact CB-CG2 4.15Å; P449-V452 HydrophobicContact CG-CG2 4.43Å; P449-V452 WeakPolarHBondContact O-CA 3.23Å; P449-V452 WeakPolarHBondContact O-CB 3.46Å; P449-V452 PolarHBondContact O-N 2.77Å; P449-R453 PolarHBondContact O-N 2.9Å; P449-R453 VanDerWaalsContact O-N 3.1Å
450A78.7Confident88.5Confident14 Ų1450.3 Ų50.312%0.11628%0.278CS..Hα-helixtrans-59.4-28-172.600000114.8M448 V452 R453 T454M448-A450 PolarHBondContact O-N 2.82Å; A450-V452 VanDerWaalsContact C-N 3.33Å; A450-R453 PolarHBondContact O-N 3.4Å; A450-T454 PolarHBondContact O-N 3.47Å; A450-T454 PolarHBondContact O-OG1 2.83Å
451V82Confident88.2Confident89 Ų8946.7 Ų46.754%0.53926%0.263SS..Hα-helixtrans-63.5-41.4173.2177.40000110.9P449 T454 G455P449-V451 PolarHBondContact O-N 2.93Å; P449-V451 VanDerWaalsContact O-N 3.08Å; V451-T454 PolarHBondContact O-N 2.94Å; V451-G455 PolarHBondContact O-N 2.98Å; V451-G455 VanDerWaalsContact O-N 3.15Å
452V88.3Confident87.8Confident69 Ų6951.5 Ų51.542%0.41828%0.283SS..Hα-helixtrans-66.8-44.8176.9-178.70000110.2M448 P449 A450 T454 G455 I456M448-V452 HydrophobicContact CE-CG1 3.76Å; P449-V452 HydrophobicContact CB-CG2 4.15Å; P449-V452 HydrophobicContact CG-CG2 4.43Å; P449-V452 WeakPolarHBondContact O-CA 3.23Å; P449-V452 WeakPolarHBondContact O-CB 3.46Å; P449-V452 PolarHBondContact O-N 2.77Å; A450-V452 VanDerWaalsContact C-N 3.33Å; V452-T454 VanDerWaalsContact C-N 3.31Å; V452-T454 PolarHBondContact O-N 3.2Å; V452-G455 PolarHBondContact O-N 3.1Å; V452-G455 VanDerWaalsContact O-N 3.14Å; V452-I456 HydrophobicContact CG1-CD1 3.84Å; V452-I456 HydrophobicContact CG1-CG1 4.4Å; V452-I456 WeakPolarHBondContact O-CG1 3.41Å; V452-I456 PolarHBondContact O-N 2.88Å
453R87.5Confident87.5Confident35 Ų3552 Ų5213%0.13229%0.291CS..Hα-helixtrans-56.6-45176.3-64.2-166.2-42.3-166.913.5112.2E236 L444 Q445 G446 M448 P449 A450 G455 I456 F457E236-R453 VanDerWaalsContact CD-NH2 3.29Å; E236-R453 WeakPolarHBondContact OE1-CB 3.36Å; E236-R453 IonicContact OE1-CZ 2.67Å; E236-R453 VanDerWaalsContact OE1-CZ 3.23Å; E236-R453 IonicContact OE1-NE 3.68Å; E236-R453 PolarHBondContact OE1-NE 3.38Å; E236-R453 IonicContact OE1-NH2 3.47Å; E236-R453 PolarHBondContact OE1-NH2 3.26Å; E236-R453 IonicContact OE2-CZ 3.5Å; E236-R453 IonicContact OE2-NE 3.81Å; E236-R453 IonicContact OE2-NH2 2.7Å; E236-R453 PolarHBondContact OE2-NH2 3.26Å; L444-R453 HydrophobicContact CD1-CB 3.69Å; L444-R453 HydrophobicContact CD1-CG 3.84Å; Q445-R453 VanDerWaalsContact O-CD 3.29Å; Q445-R453 WeakPolarHBondContact O-CD 3.46Å; G446-R453 PolarHBondContact O-NH1 3.06Å; M448-R453 HydrophobicContact CB-CG 3.66Å; P449-R453 PolarHBondContact O-N 2.9Å; P449-R453 VanDerWaalsContact O-N 3.1Å; A450-R453 PolarHBondContact O-N 3.4Å; R453-G455 VanDerWaalsContact C-N 3.35Å; R453-G455 PolarHBondContact O-N 2.98Å; R453-I456 PolarHBondContact O-N 3.15Å; R453-F457 VanDerWaalsContact O-CB 3.31Å; R453-F457 WeakPolarHBondContact O-CB 3.42Å; R453-F457 PolarHBondContact O-N 3.03Å
454T82.7Confident87.3Confident47 Ų4752.6 Ų52.629%0.28830%0.302SS..Hα-helixtrans-59.8-44.7176.9-53.40000111.3A450 V451 V452 F457 H458A450-T454 PolarHBondContact O-N 3.47Å; A450-T454 PolarHBondContact O-OG1 2.83Å; V451-T454 PolarHBondContact O-N 2.94Å; V452-T454 VanDerWaalsContact C-N 3.31Å; V452-T454 PolarHBondContact O-N 3.2Å; T454-F457 PolarHBondContact O-N 3.04Å; T454-H458 WeakPolarHBondContact O-CB 3.11Å; T454-H458 PolarHBondContact O-N 2.83Å
455G87.9Confident87.3Confident42 Ų4253.3 Ų53.343%0.43331%0.306SS..Hα-helixtrans-65-43178.300000113.4V451 V452 R453 H458 S459V451-G455 PolarHBondContact O-N 2.98Å; V451-G455 VanDerWaalsContact O-N 3.15Å; V452-G455 PolarHBondContact O-N 3.1Å; V452-G455 VanDerWaalsContact O-N 3.14Å; R453-G455 VanDerWaalsContact C-N 3.35Å; R453-G455 PolarHBondContact O-N 2.98Å; G455-H458 PolarHBondContact O-N 3.25Å; G455-S459 WeakPolarHBondContact O-CB 3.26Å; G455-S459 PolarHBondContact O-N 2.8Å
456I91.3Very high87.5Confident34 Ų3456.5 Ų56.517%0.17432%0.323CS..Hα-helixtrans-62-47176.2-71.7172.9000110.6A442 R443 L444 M448 V452 R453 H458 S459 F460 L468A442-I456 HydrophobicContact CB-CG2 3.82Å; R443-I456 WeakPolarHBondContact O-CD1 3.29Å; L444-I456 HydrophobicContact CB-CG2 4.49Å; L444-I456 HydrophobicContact CD1-CB 4.33Å; L444-I456 HydrophobicContact CD1-CG2 4.13Å; M448-I456 HydrophobicContact CE-CD1 3.4Å; M448-I456 VanDerWaalsContact CE-CD1 3.4Å; M448-I456 HydrophobicContact SD-CD1 4.39Å; V452-I456 HydrophobicContact CG1-CD1 3.84Å; V452-I456 HydrophobicContact CG1-CG1 4.4Å; V452-I456 WeakPolarHBondContact O-CG1 3.41Å; V452-I456 PolarHBondContact O-N 2.88Å; R453-I456 PolarHBondContact O-N 3.15Å; I456-H458 PolarHBondContact O-N 2.76Å; I456-S459 WeakPolarHBondContact O-CB 3.23Å; I456-S459 PolarHBondContact O-N 2.77Å; I456-F460 PolarHBondContact O-N 3.2Å; I456-L468 HydrophobicContact CG2-CD1 3.94Å
457F86.9Confident88.1Confident10 Ų1055.5 Ų55.54%0.04431%0.312CS..Hα-helixtrans-63.6-42.8179.4178.4-114.1000111.8Q240 R453 T454 S459 F460 Q461 L478 D479Q240-F457 HydrophobicContact CG-CE1 4.47Å; R453-F457 VanDerWaalsContact O-CB 3.31Å; R453-F457 WeakPolarHBondContact O-CB 3.42Å; R453-F457 PolarHBondContact O-N 3.03Å; T454-F457 PolarHBondContact O-N 3.04Å; F457-S459 VanDerWaalsContact C-N 3.32Å; F457-S459 PolarHBondContact O-N 3.4Å; F457-F460 CarbonylContact O-C 3.53Å; F457-F460 WeakPolarHBondContact O-CA 3.44Å; F457-F460 WeakPolarHBondContact O-CB 3.38Å; F457-F460 PolarHBondContact O-N 3.27Å; F457-F460 VanDerWaalsContact O-N 3.11Å; F457-Q461 HydrophobicContact CD1-CG 4.25Å; F457-Q461 HydrophobicContact CD2-CG 4.31Å; F457-Q461 HydrophobicContact CE1-CG 3.64Å; F457-Q461 HydrophobicContact CE2-CG 3.71Å; F457-Q461 HydrophobicContact CZ-CG 3.33Å; F457-Q461 VanDerWaalsContact CZ-NE2 3.34Å; F457-Q461 PolarHBondContact O-N 2.92Å; F457-L478 HydrophobicContact CD1-CD2 4.13Å; F457-L478 HydrophobicContact CD2-CB 4.36Å; F457-L478 HydrophobicContact CD2-CD1 3.62Å; F457-L478 HydrophobicContact CD2-CD2 3.85Å; F457-L478 HydrophobicContact CD2-CG 4.15Å; F457-L478 HydrophobicContact CE1-CD2 4.08Å; F457-L478 HydrophobicContact CE2-CB 3.68Å; F457-L478 HydrophobicContact CE2-CD1 3.79Å; F457-L478 HydrophobicContact CE2-CD2 3.82Å; F457-L478 HydrophobicContact CE2-CG 3.96Å; F457-L478 HydrophobicContact CG-CD1 4.39Å; F457-L478 HydrophobicContact CG-CD2 4.01Å; F457-L478 HydrophobicContact CZ-CB 4.02Å; F457-L478 HydrophobicContact CZ-CD2 3.94Å; F457-L478 HydrophobicContact CZ-CG 4.41Å; F457-D479 WeakPolarHBondContact CE2-O 3.4Å; F457-D479 HydrophobicContact CZ-CB 4.39Å; F457-D479 WeakPolarHBondContact CZ-O 3.35Å
458H87.3Confident88.8Confident91 Ų9147.8 Ų47.842%0.42128%0.276SS..Hα-helixtrans-61.2-39.9175.2-168.155.8000112.7T454 G455 I456 F460 Q461 K462T454-H458 WeakPolarHBondContact O-CB 3.11Å; T454-H458 PolarHBondContact O-N 2.83Å; G455-H458 PolarHBondContact O-N 3.25Å; I456-H458 PolarHBondContact O-N 2.76Å; H458-F460 VanDerWaalsContact C-N 3.3Å; H458-F460 PolarHBondContact O-N 3.32Å; H458-Q461 PolarHBondContact O-N 2.94Å; H458-K462 WeakPolarHBondContact CE1-CE 3.41Å; H458-K462 WeakPolarHBondContact NE2-CE 3.39Å; H458-K462 PolarHBondContact NE2-NZ 2.77Å; H458-K462 VanDerWaalsContact NE2-NZ 3.17Å; H458-K462 WeakPolarHBondContact O-CB 3.38Å; H458-K462 WeakPolarHBondContact O-CG 3.35Å; H458-K462 PolarHBondContact O-N 3.48Å
459S91.8Very high89.2Confident31 Ų3145.6 Ų45.622%0.21727%0.265CS..Hα-helixtrans-59.9-42173.7-174.20000111.5G455 I456 F457 K462 G463 T464G455-S459 WeakPolarHBondContact O-CB 3.26Å; G455-S459 PolarHBondContact O-N 2.8Å; I456-S459 WeakPolarHBondContact O-CB 3.23Å; I456-S459 PolarHBondContact O-N 2.77Å; F457-S459 VanDerWaalsContact C-N 3.32Å; F457-S459 PolarHBondContact O-N 3.4Å; S459-K462 PolarHBondContact O-N 3.02Å; S459-G463 PolarHBondContact O-N 3.18Å; S459-G463 VanDerWaalsContact O-N 3.07Å; S459-T464 PolarHBondContact O-N 3.02Å; S459-T464 VanDerWaalsContact O-N 3.14Å; S459-T464 VanDerWaalsContact OG-CB 3.32Å; S459-T464 WeakPolarHBondContact OG-CB 3.29Å
460F91.6Very high89.7Confident6 Ų641.3 Ų41.33%0.02624%0.237CC..Hα-helixtrans-71.2-30.9174.9-177.9-102.2000113.8A416 I456 F457 H458 V465 L468 R482 V483A416-F460 HydrophobicContact CB-CE2 3.8Å; A416-F460 HydrophobicContact CB-CZ 3.72Å; I456-F460 PolarHBondContact O-N 3.2Å; F457-F460 CarbonylContact O-C 3.53Å; F457-F460 WeakPolarHBondContact O-CA 3.44Å; F457-F460 WeakPolarHBondContact O-CB 3.38Å; F457-F460 PolarHBondContact O-N 3.27Å; F457-F460 VanDerWaalsContact O-N 3.11Å; H458-F460 VanDerWaalsContact C-N 3.3Å; H458-F460 PolarHBondContact O-N 3.32Å; F460-V465 WeakPolarHBondContact CD2-O 3.16Å; F460-L468 HydrophobicContact CB-CD2 4.39Å; F460-L468 HydrophobicContact CD1-CB 4.46Å; F460-L468 HydrophobicContact CD1-CD2 3.88Å; F460-L468 HydrophobicContact CD2-CB 3.56Å; F460-L468 HydrophobicContact CD2-CD2 4.36Å; F460-L468 HydrophobicContact CD2-CG 4.47Å; F460-L468 HydrophobicContact CE1-CB 4.43Å; F460-L468 HydrophobicContact CE1-CD2 4.18Å; F460-L468 HydrophobicContact CE2-CB 3.5Å; F460-L468 VanDerWaalsContact CE2-CB 3.5Å; F460-L468 HydrophobicContact CG-CB 4.02Å; F460-L468 HydrophobicContact CG-CD2 3.95Å; F460-L468 HydrophobicContact CG-CG 4.48Å; F460-L468 HydrophobicContact CZ-CB 3.94Å; F460-R482 PolarHBondContact O-NH2 3.46Å; F460-V483 HydrophobicContact CE1-CG2 3.89Å; F460-V483 HydrophobicContact CZ-CG2 3.77Å
461Q86.8Confident90.4Very high59 Ų5941.1 Ų41.128%0.27624%0.235SC..Hα-helixtrans-76.2-29.1173.5-75.6-173.1-61.600112.9F457 H458 D479 R482F457-Q461 HydrophobicContact CD1-CG 4.25Å; F457-Q461 HydrophobicContact CD2-CG 4.31Å; F457-Q461 HydrophobicContact CE1-CG 3.64Å; F457-Q461 HydrophobicContact CE2-CG 3.71Å; F457-Q461 HydrophobicContact CZ-CG 3.33Å; F457-Q461 VanDerWaalsContact CZ-NE2 3.34Å; F457-Q461 PolarHBondContact O-N 2.92Å; H458-Q461 PolarHBondContact O-N 2.94Å; Q461-D479 PolarHBondContact NE2-OD2 3.27Å; Q461-R482 VanDerWaalsContact C-NH2 3.26Å; Q461-R482 PolarHBondContact O-NE 3.31Å; Q461-R482 VanDerWaalsContact O-NE 3.13Å; Q461-R482 PolarHBondContact O-NH1 2.79Å; Q461-R482 PolarHBondContact O-NH2 2.93Å; Q461-R482 VanDerWaalsContact O-NH2 3.14Å
462K88.8Confident90.7Very high135 Ų13538 Ų3859%0.58722%0.215SC*.Hα-helixtrans-82.6-25.3177.8-77.7-177.8162.7-178.50113.5H458 S459 R482H458-K462 WeakPolarHBondContact CE1-CE 3.41Å; H458-K462 WeakPolarHBondContact NE2-CE 3.39Å; H458-K462 PolarHBondContact NE2-NZ 2.77Å; H458-K462 VanDerWaalsContact NE2-NZ 3.17Å; H458-K462 WeakPolarHBondContact O-CB 3.38Å; H458-K462 WeakPolarHBondContact O-CG 3.35Å; H458-K462 PolarHBondContact O-N 3.48Å; S459-K462 PolarHBondContact O-N 3.02Å; K462-R482 PolarHBondContact O-NH1 2.92Å
463G89.6Confident90.1Very high27 Ų2740 Ų4028%0.27822%0.222SC..THydrogen-bonded Turntrans97.411.1176.200000112.4S459 V465S459-G463 PolarHBondContact O-N 3.18Å; S459-G463 VanDerWaalsContact O-N 3.07Å; G463-V465 PolarHBondContact O-N 3.1Å
464T91.8Very high89.5Confident80 Ų8038.5 Ų38.549%0.49122%0.217SC..SBendtrans-60.3-34.5167.7-50.70000110.5K440 S459K440-T464 VanDerWaalsContact CE-O 3.28Å; K440-T464 WeakPolarHBondContact CE-O 3.5Å; K440-T464 PolarHBondContact NZ-O 3.32Å; S459-T464 PolarHBondContact O-N 3.02Å; S459-T464 VanDerWaalsContact O-N 3.14Å; S459-T464 VanDerWaalsContact OG-CB 3.32Å; S459-T464 WeakPolarHBondContact OG-CB 3.29Å
465V92.2Very high89.1Confident14 Ų1436.3 Ų36.39%0.08520%0.204CC..  trans-130.7132.4173.7-178.90000109.3A442 F460 G463 V467A442-V465 HydrophobicContact CB-CG1 3.96Å; F460-V465 WeakPolarHBondContact CD2-O 3.16Å; G463-V465 PolarHBondContact O-N 3.1Å; V465-V467 VanDerWaalsContact CG1-O 3.3Å; V465-V467 WeakPolarHBondContact CG1-O 3.32Å
466N93.4Very high88.7Confident78 Ų7836.1 Ų36.142%0.41719%0.19SC..SBendtrans-101.8-13.7-177.7-67.5-26.9000113.5A416 A417A416-N466 CarbonylContact C-O 3.45Å; A416-N466 WeakPolarHBondContact CA-O 3.32Å; A416-N466 WeakPolarHBondContact CB-O 3.3Å; A417-N466 PolarHBondContact N-O 2.95Å
467V95.9Very high87.7Confident5 Ų534.9 Ų34.93%0.0319%0.186CC..EExtended strand (participates in β ladder)trans-115.2120.8177.7-176.30000109.2L405 A417 V419 V439 H441 A442 V465L405-V467 HydrophobicContact CD1-CG1 4.1Å; L405-V467 HydrophobicContact CD1-CG2 4.47Å; L405-V467 HydrophobicContact CD2-CG1 4.19Å; L405-V467 HydrophobicContact CD2-CG2 4.07Å; A417-V467 HydrophobicContact CB-CG2 4.41Å; A417-V467 WeakPolarHBondContact O-CA 3.4Å; V419-V467 HydrophobicContact CG2-CG1 4.21Å; V439-V467 HydrophobicContact CG1-CG2 4.38Å; H441-V467 CarbonylContact C-O 3.51Å; H441-V467 VanDerWaalsContact CA-O 3.24Å; H441-V467 WeakPolarHBondContact CA-O 3.45Å; H441-V467 HydrophobicContact CB-CB 3.83Å; H441-V467 HydrophobicContact CB-CG1 3.93Å; A442-V467 PolarHBondContact N-O 3.04Å; V465-V467 VanDerWaalsContact CG1-O 3.3Å; V465-V467 WeakPolarHBondContact CG1-O 3.32Å
468L96.4Very high87.5Confident1 Ų134.4 Ų34.41%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-117.3121.2175.6-176.664.6000109.8A417 L418 V419 A442 L444 I456 F460A417-L468 PolarHBondContact O-N 3.27Å; L418-L468 HydrophobicContact CD1-CB 3.79Å; L418-L468 HydrophobicContact CD1-CD2 3.66Å; L418-L468 HydrophobicContact CD1-CG 3.86Å; V419-L468 PolarHBondContact N-O 3.25Å; A442-L468 HydrophobicContact CB-CD1 3.93Å; L444-L468 HydrophobicContact CB-CD1 3.91Å; L444-L468 HydrophobicContact CB-CG 4.5Å; L444-L468 HydrophobicContact CD2-CD2 4.29Å; I456-L468 HydrophobicContact CG2-CD1 3.94Å; F460-L468 HydrophobicContact CB-CD2 4.39Å; F460-L468 HydrophobicContact CD1-CB 4.46Å; F460-L468 HydrophobicContact CD1-CD2 3.88Å; F460-L468 HydrophobicContact CD2-CB 3.56Å; F460-L468 HydrophobicContact CD2-CD2 4.36Å; F460-L468 HydrophobicContact CD2-CG 4.47Å; F460-L468 HydrophobicContact CE1-CB 4.43Å; F460-L468 HydrophobicContact CE1-CD2 4.18Å; F460-L468 HydrophobicContact CE2-CB 3.5Å; F460-L468 VanDerWaalsContact CE2-CB 3.5Å; F460-L468 HydrophobicContact CG-CB 4.02Å; F460-L468 HydrophobicContact CG-CD2 3.95Å; F460-L468 HydrophobicContact CG-CG 4.48Å; F460-L468 HydrophobicContact CZ-CB 3.94Å
469I97.7Very high87.2Confident0 Ų033 Ų330%018%0.179CC..EExtended strand (participates in β ladder)trans-101.1123.5175.9-44.9171.2000108V419 V427 L430 L434 H441 A442 R443 L444V419-I469 HydrophobicContact CB-CG1 4.41Å; V419-I469 HydrophobicContact CB-CG2 4.4Å; V419-I469 HydrophobicContact CG1-CG2 4.46Å; V419-I469 CarbonylContact O-C 3.55Å; V419-I469 WeakPolarHBondContact O-CA 3.28Å; V427-I469 HydrophobicContact CB-CG2 4.28Å; V427-I469 HydrophobicContact CG1-CB 4.12Å; V427-I469 HydrophobicContact CG1-CG2 3.82Å; V427-I469 HydrophobicContact CG2-CG2 4.3Å; L430-I469 HydrophobicContact CD2-CD1 4.43Å; L430-I469 HydrophobicContact CD2-CG2 3.92Å; L430-I469 HydrophobicContact CG-CD1 4.19Å; L434-I469 HydrophobicContact CD1-CD1 3.8Å; H441-I469 HydrophobicContact CB-CD1 4.41Å; H441-I469 VanDerWaalsContact CD2-CD1 3.46Å; H441-I469 WeakPolarHBondContact CD2-CD1 3.39Å; A442-I469 PolarHBondContact O-N 3.38Å; R443-I469 CarbonylContact C-O 3.52Å; R443-I469 WeakPolarHBondContact CA-O 3.34Å; L444-I469 PolarHBondContact N-O 2.91Å
470C96Very high87.1Confident0 Ų031.7 Ų31.70%017%0.17CC..EExtended strand (participates in β ladder)trans-148.4161.6-17260.60000114.6L418 V419 F420 C421 L444 S475L418-C470 VanDerWaalsContact CD1-SG 3.55Å; V419-C470 PolarHBondContact O-N 3.09Å; F420-C470 WeakPolarHBondContact CA-O 3.42Å; C421-C470 PolarHBondContact N-O 3.33Å; L444-C470 HydrophobicContact CB-CB 4.06Å; L444-C470 WeakPolarHBondContact O-CA 3.16Å; L444-C470 WeakPolarHBondContact O-CB 3.3Å; C470-S475 VanDerWaalsContact SG-CB 3.59Å
471T93.6Very high86.8Confident11 Ų1133.3 Ų33.37%0.06718%0.182CC..  trans-89.1164.116363.10000111.1C421 V427 L444 I473 A474 S475C421-T471 WeakPolarHBondContact O-CA 3.48Å; V427-T471 HydrophobicContact CG2-CG2 3.83Å; L444-T471 PolarHBondContact O-N 2.87Å; T471-I473 PolarHBondContact O-N 3.26Å; T471-A474 PolarHBondContact O-N 3.2Å; T471-S475 PolarHBondContact O-N 3.46Å; T471-S475 PolarHBondContact O-OG 3.25Å
472D86.7Confident86.9Confident24 Ų2434.6 Ų34.613%0.12818%0.184CC..Hα-helixtrans-55.7-50.9177.6-66.6-62.1000111.6A474 S475 R476 R501D472-A474 PolarHBondContact O-N 3.07Å; D472-A474 VanDerWaalsContact O-N 3.11Å; D472-S475 PolarHBondContact O-N 3.06Å; D472-S475 PolarHBondContact O-OG 2.78Å; D472-R476 WeakPolarHBondContact O-CG 3.37Å; D472-R476 PolarHBondContact O-N 2.76Å; D472-R501 WeakPolarHBondContact OD1-CG 3.46Å; D472-R501 IonicContact OD1-CZ 3.89Å; D472-R501 IonicContact OD1-NE 3.95Å; D472-R501 PolarHBondContact OD1-NE 2.71Å; D472-R501 IonicContact OD1-NH2 3.29Å; D472-R501 IonicContact OD2-CZ 2.83Å; D472-R501 IonicContact OD2-NE 2.77Å; D472-R501 PolarHBondContact OD2-NE 3.35Å; D472-R501 IonicContact OD2-NH2 2.87Å; D472-R501 PolarHBondContact OD2-NH2 3.44Å
473I76.8Confident87.1Confident109 Ų10928.2 Ų28.256%0.55916%0.157SC*.Hα-helixtrans-58.6-33.4-175.5-143.7161000112.4T471 S475T471-I473 PolarHBondContact O-N 3.26Å; I473-S475 VanDerWaalsContact C-N 3.34Å
474A75.1Confident87.3Confident4 Ų428.3 Ų28.33%0.03315%0.149CC..Hα-helixtrans-81.7-18.4-176.700000112.3L444 T471 D472L444-A474 HydrophobicContact CD2-CB 4.33Å; L444-A474 VanDerWaalsContact CD2-O 3.23Å; L444-A474 WeakPolarHBondContact CD2-O 3.21Å; L444-A474 HydrophobicContact CG-CB 3.98Å; L444-A474 WeakPolarHBondContact O-CB 3.3Å; T471-A474 PolarHBondContact O-N 3.2Å; D472-A474 PolarHBondContact O-N 3.07Å; D472-A474 VanDerWaalsContact O-N 3.11Å
475S73Confident87.4Confident1 Ų124.5 Ų24.51%0.00713%0.125CC..Hα-helixtrans-113.4-4.9-175.158.90000115F420 C470 T471 D472 I473 L478 R504F420-S475 WeakPolarHBondContact CE1-OG 3.24Å; C470-S475 VanDerWaalsContact SG-CB 3.59Å; T471-S475 PolarHBondContact O-N 3.46Å; T471-S475 PolarHBondContact O-OG 3.25Å; D472-S475 PolarHBondContact O-N 3.06Å; D472-S475 PolarHBondContact O-OG 2.78Å; I473-S475 VanDerWaalsContact C-N 3.34Å; S475-L478 WeakPolarHBondContact O-CB 3.08Å; S475-L478 WeakPolarHBondContact O-CG 3.42Å; S475-L478 PolarHBondContact O-N 3.1Å; S475-R504 PolarHBondContact O-NH1 2.99Å; S475-R504 PolarHBondContact O-NH2 3.47Å
476R79.2Confident87.7Confident38 Ų3823.9 Ų23.914%0.14312%0.121CC..THydrogen-bonded Turntrans-58.6142.6171.7-64-152179.8146.9-0111.3T311 D314 D472 L478 D497T311-R476 VanDerWaalsContact CG2-NH1 3.33Å; T311-R476 WeakPolarHBondContact OG1-CD 3.4Å; T311-R476 PolarHBondContact OG1-NH1 3.21Å; D314-R476 IonicContact OD2-NH1 2.84Å; D472-R476 WeakPolarHBondContact O-CG 3.37Å; D472-R476 PolarHBondContact O-N 2.76Å; R476-L478 PolarHBondContact O-N 3.35Å; R476-L478 VanDerWaalsContact O-N 3.08Å; R476-D497 IonicContact NH2-OD1 3.67Å; R476-D497 PolarHBondContact NH2-OD1 3.02Å
477G71.4Confident87.9Confident8 Ų820.1 Ų20.18%0.08210%0.101CC..THydrogen-bonded Turntrans72.4-18.5-174.700000117.2Q240 E308 D479Q240-G477 PolarHBondContact OE1-O 3.4Å; E308-G477 VanDerWaalsContact OE1-CA 3.25Å; E308-G477 WeakPolarHBondContact OE1-CA 3.46Å; E308-G477 PolarHBondContact OE1-N 3.27Å; G477-D479 PolarHBondContact O-N 2.92Å
478L81.5Confident88Confident1 Ų119.9 Ų19.91%0.00510%0.1CC..  trans-64.1131-171.3-61.2-173.6000114.4E236 L444 F457 S475 R476 T480 R504E236-L478 HydrophobicContact CB-CD2 3.44Å; E236-L478 VanDerWaalsContact CB-CD2 3.44Å; E236-L478 HydrophobicContact CG-CD2 4.15Å; L444-L478 HydrophobicContact CD2-CD1 3.72Å; F457-L478 HydrophobicContact CD1-CD2 4.13Å; F457-L478 HydrophobicContact CD2-CB 4.36Å; F457-L478 HydrophobicContact CD2-CD1 3.62Å; F457-L478 HydrophobicContact CD2-CD2 3.85Å; F457-L478 HydrophobicContact CD2-CG 4.15Å; F457-L478 HydrophobicContact CE1-CD2 4.08Å; F457-L478 HydrophobicContact CE2-CB 3.68Å; F457-L478 HydrophobicContact CE2-CD1 3.79Å; F457-L478 HydrophobicContact CE2-CD2 3.82Å; F457-L478 HydrophobicContact CE2-CG 3.96Å; F457-L478 HydrophobicContact CG-CD1 4.39Å; F457-L478 HydrophobicContact CG-CD2 4.01Å; F457-L478 HydrophobicContact CZ-CB 4.02Å; F457-L478 HydrophobicContact CZ-CD2 3.94Å; F457-L478 HydrophobicContact CZ-CG 4.41Å; S475-L478 WeakPolarHBondContact O-CB 3.08Å; S475-L478 WeakPolarHBondContact O-CG 3.42Å; S475-L478 PolarHBondContact O-N 3.1Å; R476-L478 PolarHBondContact O-N 3.35Å; R476-L478 VanDerWaalsContact O-N 3.08Å; L478-T480 HydrophobicContact CB-CG2 4.45Å; L478-T480 PolarHBondContact O-N 3.07Å; L478-T480 PolarHBondContact O-OG1 3.19Å; L478-R504 VanDerWaalsContact N-NH1 3.14Å; L478-R504 PolarHBondContact O-NH1 2.94Å
479D82.9Confident88.1Confident60 Ų6020.3 Ų20.332%0.32110%0.101SC..  trans-61.1120.2163.8177.722000110.6F457 Q461 G477 S481F457-D479 WeakPolarHBondContact CE2-O 3.4Å; F457-D479 HydrophobicContact CZ-CB 4.39Å; F457-D479 WeakPolarHBondContact CZ-O 3.35Å; Q461-D479 PolarHBondContact NE2-OD2 3.27Å; G477-D479 PolarHBondContact O-N 2.92Å; D479-S481 WeakPolarHBondContact OD1-CB 3.2Å; D479-S481 PolarHBondContact OD1-N 2.92Å; D479-S481 PolarHBondContact OD1-OG 3.25Å; D479-S481 VanDerWaalsContact OD1-OG 3.07Å
480T87.8Confident88.1Confident5 Ų521.6 Ų21.63%0.03111%0.108CC..  trans-13124.2-171.136.10000110.6L418 L478 R482 V483 R504L418-T480 HydrophobicContact CD2-CG2 3.99Å; L478-T480 HydrophobicContact CB-CG2 4.45Å; L478-T480 PolarHBondContact O-N 3.07Å; L478-T480 PolarHBondContact O-OG1 3.19Å; T480-R482 PolarHBondContact O-N 2.82Å; T480-V483 HydrophobicContact CG2-CG2 3.82Å; T480-V483 VanDerWaalsContact O-CB 3.31Å; T480-V483 WeakPolarHBondContact O-CB 3.38Å; T480-V483 WeakPolarHBondContact O-CG2 3.39Å; T480-V483 PolarHBondContact O-N 2.92Å; T480-R504 VanDerWaalsContact CB-O 3.32Å; T480-R504 WeakPolarHBondContact CB-O 3.24Å; T480-R504 HydrophobicContact CG2-CB 4.22Å; T480-R504 HydrophobicContact CG2-CG 4.48Å; T480-R504 WeakPolarHBondContact OG1-CD 3.43Å; T480-R504 PolarHBondContact OG1-O 3.24Å
481S86.3Confident88.2Confident39 Ų3921.9 Ų21.927%0.27311%0.11SC..THydrogen-bonded Turntrans-45.6-36.317945.10000114.8D479 G510 V511D479-S481 WeakPolarHBondContact OD1-CB 3.2Å; D479-S481 PolarHBondContact OD1-N 2.92Å; D479-S481 PolarHBondContact OD1-OG 3.25Å; D479-S481 VanDerWaalsContact OD1-OG 3.07Å; S481-G510 WeakPolarHBondContact O-CA 3.44Å; S481-V511 PolarHBondContact O-N 3Å
482R89.1Confident88.2Confident86 Ų8621.5 Ų21.533%0.32511%0.107SC..THydrogen-bonded Turntrans-90.6-2.2-178.6-54.1-171-50.8165.218.4114.9A416 F460 Q461 K462 T480 R484A416-R482 WeakPolarHBondContact CB-O 3.4Å; A416-R482 PolarHBondContact N-O 3.14Å; F460-R482 PolarHBondContact O-NH2 3.46Å; Q461-R482 VanDerWaalsContact C-NH2 3.26Å; Q461-R482 PolarHBondContact O-NE 3.31Å; Q461-R482 VanDerWaalsContact O-NE 3.13Å; Q461-R482 PolarHBondContact O-NH1 2.79Å; Q461-R482 PolarHBondContact O-NH2 2.93Å; Q461-R482 VanDerWaalsContact O-NH2 3.14Å; K462-R482 PolarHBondContact O-NH1 2.92Å; T480-R482 PolarHBondContact O-N 2.82Å; R482-R484 PolarHBondContact O-N 3.4Å
483V92.8Very high88.5Confident1 Ų127.5 Ų27.51%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-73.4123.8179.2-175.50000108.4A416 L418 F460 T480 L485 V486 V505A416-V483 HydrophobicContact CB-CG2 4.46Å; A416-V483 WeakPolarHBondContact O-CA 3.17Å; L418-V483 HydrophobicContact CB-CG1 3.91Å; L418-V483 HydrophobicContact CB-CG2 4.37Å; F460-V483 HydrophobicContact CE1-CG2 3.89Å; F460-V483 HydrophobicContact CZ-CG2 3.77Å; T480-V483 HydrophobicContact CG2-CG2 3.82Å; T480-V483 VanDerWaalsContact O-CB 3.31Å; T480-V483 WeakPolarHBondContact O-CB 3.38Å; T480-V483 WeakPolarHBondContact O-CG2 3.39Å; T480-V483 PolarHBondContact O-N 2.92Å; V483-L485 VanDerWaalsContact CG1-O 3.31Å; V483-L485 WeakPolarHBondContact CG1-O 3.16Å; V483-V486 HydrophobicContact CG1-CG2 4.02Å; V483-V505 HydrophobicContact CB-CG1 4.16Å; V483-V505 HydrophobicContact CG1-CG1 3.63Å; V483-V505 WeakPolarHBondContact O-CG1 3.43Å
484R93.1Very high89.2Confident30 Ų3024.1 Ų24.111%0.11312%0.121CC..EExtended strand (participates in β ladder)trans-106-26.2175.5179178.1160.8124.14.6111.4L408 E411 G414 A416 R482 V511 D513 G514 E515L408-R484 HydrophobicContact CD1-CB 4.22Å; L408-R484 HydrophobicContact CD1-CG 3.98Å; E411-R484 IonicContact OE2-CZ 3.49Å; E411-R484 IonicContact OE2-NE 3.55Å; E411-R484 IonicContact OE2-NH2 2.73Å; E411-R484 PolarHBondContact OE2-NH2 2.86Å; G414-R484 VanDerWaalsContact O-CD 3.29Å; G414-R484 WeakPolarHBondContact O-CD 3.49Å; A416-R484 PolarHBondContact O-N 3.11Å; R482-R484 PolarHBondContact O-N 3.4Å; R484-V511 HydrophobicContact CB-CG1 4.36Å; R484-V511 HydrophobicContact CG-CG1 4.35Å; R484-D513 VanDerWaalsContact CZ-CG 3.44Å; R484-D513 IonicContact CZ-OD1 3.41Å; R484-D513 IonicContact CZ-OD2 2.94Å; R484-D513 IonicContact NE-OD1 3.69Å; R484-D513 IonicContact NE-OD2 3.86Å; R484-D513 IonicContact NH1-OD1 3Å; R484-D513 PolarHBondContact NH1-OD1 3.37Å; R484-D513 IonicContact NH1-OD2 2.63Å; R484-D513 PolarHBondContact NH1-OD2 2.94Å; R484-D513 IonicContact NH2-OD2 3Å; R484-D513 PolarHBondContact NH2-OD2 2.95Å; R484-G514 CarbonylContact O-C 3.53Å; R484-G514 VanDerWaalsContact O-CA 3.31Å; R484-G514 WeakPolarHBondContact O-CA 3.28Å; R484-E515 PolarHBondContact O-N 2.9Å
485L95.3Very high90Very high0 Ų025.4 Ų25.40%013%0.126CC..EExtended strand (participates in β ladder)trans-127.5122.1178.6176.763.5000110.6L408 A416 A417 L418 V483 V487 E515 L517L408-L485 HydrophobicContact CD1-CB 4.33Å; L408-L485 HydrophobicContact CD2-CB 3.89Å; L408-L485 HydrophobicContact CD2-CD2 4.21Å; A416-L485 PolarHBondContact O-N 2.83Å; A417-L485 CarbonylContact C-O 3.58Å; A417-L485 VanDerWaalsContact CA-O 3.23Å; A417-L485 WeakPolarHBondContact CA-O 3.39Å; A417-L485 HydrophobicContact CB-CB 4.3Å; A417-L485 HydrophobicContact CB-CD2 4.39Å; L418-L485 PolarHBondContact N-O 3.48Å; V483-L485 VanDerWaalsContact CG1-O 3.31Å; V483-L485 WeakPolarHBondContact CG1-O 3.16Å; L485-V487 HydrophobicContact CD1-CG2 4.04Å; L485-V487 HydrophobicContact CD2-CG2 3.73Å; L485-V487 HydrophobicContact CG-CG2 3.66Å; L485-E515 WeakPolarHBondContact CA-O 3.41Å; L485-E515 HydrophobicContact CD1-CG 3.73Å; L485-L517 HydrophobicContact CD1-CB 4.21Å
486V97Very high90.6Very high0 Ų027.4 Ų27.40%014%0.138CC..EExtended strand (participates in β ladder)trans-101.7126.9163.2166.70000108.2L418 F420 V483 R501 R504 V505 E515 V516 L517L418-V486 HydrophobicContact CB-CG2 4.36Å; L418-V486 CarbonylContact O-C 3.59Å; L418-V486 WeakPolarHBondContact O-CA 3.28Å; F420-V486 HydrophobicContact CD2-CG1 3.93Å; F420-V486 HydrophobicContact CE2-CG1 3.95Å; V483-V486 HydrophobicContact CG1-CG2 4.02Å; V486-R501 HydrophobicContact CG1-CB 4.46Å; V486-R504 HydrophobicContact CG2-CB 3.81Å; V486-V505 HydrophobicContact CB-CG1 4.33Å; V486-V505 HydrophobicContact CG2-CB 4.4Å; V486-V505 HydrophobicContact CG2-CG1 3.57Å; V486-V505 HydrophobicContact CG2-CG2 4.2Å; V486-E515 PolarHBondContact N-O 3.28Å; V486-V516 HydrophobicContact CB-CG2 4.28Å; V486-V516 HydrophobicContact CG1-CG1 4.29Å; V486-V516 CarbonylContact O-C 3.53Å; V486-V516 WeakPolarHBondContact O-CA 3.19Å; V486-L517 PolarHBondContact O-N 3.39Å
487V98.3Very high91.2Very high0 Ų026.7 Ų26.70%014%0.137CC..EExtended strand (participates in β ladder)trans-113.2114.2173.3-170.10000109.5L401 L418 V419 F420 L485 Y489 L517 F519L401-V487 HydrophobicContact CD1-CB 4.08Å; L401-V487 HydrophobicContact CD1-CG1 3.83Å; L401-V487 HydrophobicContact CD1-CG2 3.92Å; L418-V487 PolarHBondContact O-N 2.81Å; V419-V487 CarbonylContact C-O 3.52Å; V419-V487 WeakPolarHBondContact CA-O 3.1Å; V419-V487 HydrophobicContact CG1-CB 4.34Å; V419-V487 HydrophobicContact CG2-CB 4.3Å; V419-V487 HydrophobicContact CG2-CG2 4.46Å; F420-V487 PolarHBondContact N-O 3.26Å; L485-V487 HydrophobicContact CD1-CG2 4.04Å; L485-V487 HydrophobicContact CD2-CG2 3.73Å; L485-V487 HydrophobicContact CG-CG2 3.66Å; V487-Y489 VanDerWaalsContact C-N 3.27Å; V487-Y489 PolarHBondContact O-N 3.49Å; V487-L517 CarbonylContact C-O 3.57Å; V487-L517 WeakPolarHBondContact CA-O 3.48Å; V487-L517 HydrophobicContact CG1-CB 4.44Å; V487-L517 HydrophobicContact CG1-CD2 4.14Å; V487-L517 HydrophobicContact CG1-CG 4.38Å; V487-L517 HydrophobicContact CG2-CB 4.45Å; V487-L517 HydrophobicContact CG2-CD2 4.45Å; V487-F519 HydrophobicContact CG1-CE2 4.26Å; V487-F519 HydrophobicContact CG1-CZ 4.41Å
488N98.4Very high92.2Very high0 Ų026.3 Ų26.30%013%0.133CC..EExtended strand (participates in β ladder)trans-7885.4163.2-61-43.6000107.4R501 L517 S518 F519N488-R501 WeakPolarHBondContact OD1-CB 3.44Å; N488-R501 WeakPolarHBondContact OD1-CD 3.35Å; N488-L517 PolarHBondContact N-O 2.95Å; N488-S518 PolarHBondContact ND2-OG 3.02Å; N488-F519 PolarHBondContact O-N 2.87Å
489Y98.4Very high92.7Very high9 Ų927 Ų274%0.03514%0.137CC..SBendtrans-61.8-54.5176-178.7-91.8000108.2K397 V398 L401 F420 T426 L430 V487 F519K397-Y489 HydrophobicContact CB-CD2 4.33Å; K397-Y489 HydrophobicContact CB-CE2 3.5Å; K397-Y489 VanDerWaalsContact CB-CE2 3.5Å; K397-Y489 WeakPolarHBondContact CB-OH 3.5Å; K397-Y489 HydrophobicContact CD-CE1 4.29Å; K397-Y489 VanDerWaalsContact CE-CE1 3.48Å; K397-Y489 WeakPolarHBondContact CE-O 3.48Å; K397-Y489 PolarHBondContact NZ-O 2.69Å; V398-Y489 WeakPolarHBondContact CG2-OH 3.4Å; L401-Y489 HydrophobicContact CB-CD2 4.48Å; L401-Y489 HydrophobicContact CD2-CD2 4.08Å; L401-Y489 HydrophobicContact CD2-CE2 4.43Å; F420-Y489 WeakPolarHBondContact O-CB 3.37Å; F420-Y489 PolarHBondContact O-N 2.76Å; T426-Y489 HydrophobicContact CG2-CD1 3.95Å; T426-Y489 HydrophobicContact CG2-CE1 3.79Å; L430-Y489 HydrophobicContact CD1-CD2 4.3Å; L430-Y489 HydrophobicContact CD1-CE2 3.78Å; L430-Y489 HydrophobicContact CD2-CD1 4.3Å; L430-Y489 HydrophobicContact CD2-CD2 3.91Å; L430-Y489 HydrophobicContact CD2-CE2 4.19Å; L430-Y489 HydrophobicContact CD2-CG 3.96Å; V487-Y489 VanDerWaalsContact C-N 3.27Å; V487-Y489 PolarHBondContact O-N 3.49Å; Y489-F519 HydrophobicContact CD2-CD2 4.01Å; Y489-F519 AromaticContact CD2-CE2 3.97Å; Y489-F519 HydrophobicContact CD2-CE2 3.97Å; Y489-F519 HydrophobicContact CE2-CE2 4.47Å
490D97.4Very high92.9Very high27 Ų2724.5 Ų24.514%0.14412%0.123CC..SBendtrans-90133.6163.7-63.2-28.6000109.2K397 F420 N422 T426 R501K397-D490 IonicContact NZ-OD1 3.64Å; K397-D490 PolarHBondContact NZ-OD1 2.66Å; F420-D490 PolarHBondContact O-N 2.86Å; F420-D490 VanDerWaalsContact O-N 3.16Å; N422-D490 HydrophobicContact CB-CB 4.25Å; N422-D490 PolarHBondContact N-OD2 3.47Å; N422-D490 VanDerWaalsContact N-OD2 3.08Å; N422-D490 WeakPolarHBondContact OD1-CB 3.38Å; T426-D490 WeakPolarHBondContact CG2-OD2 3.25Å; D490-R501 PolarHBondContact O-NH1 3.28Å
491F97.3Very high93.2Very high7 Ų724.3 Ų24.33%0.03112%0.122CC..PPolyproline II helixtrans-64140.8178.7-157.3-109.9000109.9F389 N422 V520 D525 L528 V529 I532F389-F491 AromaticContact CD1-CE2 3.84Å; F389-F491 HydrophobicContact CD1-CE2 3.84Å; F389-F491 HydrophobicContact CD1-CZ 4.21Å; F389-F491 AromaticContact CE1-CE2 3.83Å; F389-F491 HydrophobicContact CE1-CE2 3.83Å; F389-F491 AromaticContact CE1-CZ 3.97Å; F389-F491 HydrophobicContact CE1-CZ 3.97Å; N422-F491 PolarHBondContact ND2-O 3.41Å; N422-F491 VanDerWaalsContact ND2-O 3.14Å; N422-F491 PolarHBondContact OD1-O 2.99Å; F491-V520 HydrophobicContact CD2-CG2 3.93Å; F491-V520 HydrophobicContact CE2-CG2 3.89Å; F491-D525 HydrophobicContact CB-CB 4.22Å; F491-D525 HydrophobicContact CD1-CB 3.72Å; F491-D525 HydrophobicContact CE1-CB 4.41Å; F491-D525 HydrophobicContact CG-CB 4.12Å; F491-L528 HydrophobicContact CD1-CD2 4.11Å; F491-L528 HydrophobicContact CE1-CB 3.94Å; F491-L528 HydrophobicContact CE1-CD2 3.61Å; F491-L528 HydrophobicContact CE1-CG 3.83Å; F491-V529 HydrophobicContact CE1-CG2 3.64Å; F491-V529 HydrophobicContact CE2-CG2 3.87Å; F491-V529 HydrophobicContact CZ-CB 4.44Å; F491-V529 HydrophobicContact CZ-CG2 3.28Å; F491-I532 HydrophobicContact CZ-CD1 4.26Å
492P95.4Very high93.5Very high3 Ų322.6 Ų22.62%0.01911%0.11CC..PPolyproline II helixtrans-62.2150.3-179.4-22.435.7000111.9D497 Y498 L528P492-D497 HydrophobicContact CB-CB 3.99Å; P492-Y498 HydrophobicContact CG-CD2 4.03Å; P492-L528 WeakPolarHBondContact O-CD2 3.47Å
493E92.2Very high93.5Very high149 Ų14918.6 Ų18.670%0.69610%0.095SC*.SBendtrans-83.7-18-178.5-59-176.3167.100112.2N422N422-E493 WeakPolarHBondContact ND2-CG 3.34Å; N422-E493 PolarHBondContact ND2-OE1 3.37Å
494S91.4Very high93.4Very high38 Ų3818.8 Ų18.827%0.26610%0.096SC..SBendtrans-141.9161.7-178.376.40000113T496 D497 Y498S494-T496 VanDerWaalsContact C-N 3.26Å; S494-T496 PolarHBondContact O-N 3.3Å; S494-T496 PolarHBondContact OG-N 3.17Å; S494-D497 PolarHBondContact O-N 3Å; S494-D497 VanDerWaalsContact OG-CG 3.22Å; S494-D497 PolarHBondContact OG-N 3.07Å; S494-D497 PolarHBondContact OG-OD2 3.5Å; S494-Y498 PolarHBondContact O-N 3.02Å; S494-Y498 VanDerWaalsContact O-N 3.07Å
495H91.1Very high93.3Very high31 Ų3117.5 Ų17.514%0.1449%0.091CC..Hα-helixtrans-60.3-37.3171.2-63.2103.9000112Y498 I499 L528 N531 L542 M545H495-Y498 PolarHBondContact O-N 3.35Å; H495-I499 PolarHBondContact O-N 3.18Å; H495-L528 HydrophobicContact CB-CD1 4.33Å; H495-L528 WeakPolarHBondContact CD2-CD1 3.45Å; H495-L528 VanDerWaalsContact CG-CD1 3.48Å; H495-L528 VanDerWaalsContact NE2-CD1 3.3Å; H495-L528 WeakPolarHBondContact NE2-CD1 3.23Å; H495-N531 WeakPolarHBondContact NE2-CB 3.38Å; H495-L542 HydrophobicContact CB-CB 4.31Å; H495-L542 HydrophobicContact CB-CD1 3.83Å; H495-M545 HydrophobicContact CB-CG 4.37Å; H495-M545 HydrophobicContact CB-SD 4.14Å
496T87.1Confident92.7Very high44 Ų4417.9 Ų17.927%0.2710%0.095SC..Hα-helixtrans-61.7-50.6177.9-57.50000110.6T352 S494 Y498 I499 H500 M545T352-T496 HydrophobicContact CG2-CG2 4.09Å; S494-T496 VanDerWaalsContact C-N 3.26Å; S494-T496 PolarHBondContact O-N 3.3Å; S494-T496 PolarHBondContact OG-N 3.17Å; T496-Y498 VanDerWaalsContact C-N 3.33Å; T496-Y498 PolarHBondContact O-N 2.93Å; T496-I499 PolarHBondContact O-N 3.3Å; T496-H500 WeakPolarHBondContact CG2-CE1 3.22Å; T496-H500 PolarHBondContact O-CD2 3.02Å; T496-H500 VanDerWaalsContact O-CG 3.23Å; T496-H500 PolarHBondContact O-N 2.89Å; T496-M545 VanDerWaalsContact OG1-CE 3.3Å; T496-M545 WeakPolarHBondContact OG1-CE 3.47Å
497D90.6Very high92Very high22 Ų2220.9 Ų20.912%0.11811%0.107CC..Hα-helixtrans-62.9-40.9178.2-63.5-47.6000111.2R476 P492 S494 I499 H500 R501R476-D497 IonicContact NH2-OD1 3.67Å; R476-D497 PolarHBondContact NH2-OD1 3.02Å; P492-D497 HydrophobicContact CB-CB 3.99Å; S494-D497 PolarHBondContact O-N 3Å; S494-D497 VanDerWaalsContact OG-CG 3.22Å; S494-D497 PolarHBondContact OG-N 3.07Å; S494-D497 PolarHBondContact OG-OD2 3.5Å; D497-I499 PolarHBondContact O-N 3.25Å; D497-H500 PolarHBondContact O-N 3.14Å; D497-R501 WeakPolarHBondContact O-CB 3.4Å; D497-R501 VanDerWaalsContact O-CG 3.26Å; D497-R501 WeakPolarHBondContact O-CG 3.33Å; D497-R501 PolarHBondContact O-N 3.25Å
498Y93.6Very high90.7Very high1 Ų123.1 Ų23.10%0.00413%0.125CC..Hα-helixtrans-57.1-49.1175.4177.6-92.4000112.3L381 Q387 F389 P492 S494 H495 T496 H500 R501 A502 I532L381-Y498 HydrophobicContact CD2-CD1 4.33Å; L381-Y498 HydrophobicContact CD2-CE1 3.71Å; Q387-Y498 PolarHBondContact OE1-OH 3.49Å; F389-Y498 AromaticContact CE1-CE2 3.79Å; F389-Y498 HydrophobicContact CE1-CE2 3.79Å; F389-Y498 AromaticContact CZ-CE2 3.75Å; F389-Y498 HydrophobicContact CZ-CE2 3.75Å; F389-Y498 AromaticContact CZ-CZ 3.64Å; F389-Y498 VanDerWaalsContact CZ-OH 3.24Å; F389-Y498 WeakPolarHBondContact CZ-OH 3.4Å; P492-Y498 HydrophobicContact CG-CD2 4.03Å; S494-Y498 PolarHBondContact O-N 3.02Å; S494-Y498 VanDerWaalsContact O-N 3.07Å; H495-Y498 PolarHBondContact O-N 3.35Å; T496-Y498 VanDerWaalsContact C-N 3.33Å; T496-Y498 PolarHBondContact O-N 2.93Å; Y498-H500 VanDerWaalsContact C-N 3.32Å; Y498-H500 PolarHBondContact O-N 2.82Å; Y498-R501 PolarHBondContact O-N 3.48Å; Y498-A502 HydrophobicContact CE1-CB 4.41Å; Y498-A502 VanDerWaalsContact O-CB 3.27Å; Y498-A502 WeakPolarHBondContact O-CB 3.37Å; Y498-A502 PolarHBondContact O-N 3.46Å; Y498-I532 HydrophobicContact CD1-CD1 3.88Å; Y498-I532 HydrophobicContact CD1-CG1 4.45Å; Y498-I532 HydrophobicContact CD2-CD1 3.92Å; Y498-I532 HydrophobicContact CE1-CD1 4.16Å; Y498-I532 HydrophobicContact CE1-CG2 4.39Å; Y498-I532 HydrophobicContact CE2-CD1 4.19Å; Y498-I532 HydrophobicContact CG-CD1 3.78Å
499I90.4Very high89.4Confident15 Ų1527.1 Ų27.18%0.07717%0.167CC..Hα-helixtrans-62.3-40.6177.6-72.4177.2000110.9H495 T496 D497 A502 G503 L542 M545H495-I499 PolarHBondContact O-N 3.18Å; T496-I499 PolarHBondContact O-N 3.3Å; D497-I499 PolarHBondContact O-N 3.25Å; I499-A502 PolarHBondContact O-N 3.29Å; I499-G503 PolarHBondContact O-N 2.86Å; I499-L542 HydrophobicContact CD1-CD1 3.47Å; I499-L542 VanDerWaalsContact CD1-CD1 3.47Å; I499-L542 HydrophobicContact CD1-CG 4.34Å; I499-L542 HydrophobicContact CG1-CD1 3.71Å; I499-M545 HydrophobicContact CD1-CE 4.19Å; I499-M545 HydrophobicContact CD1-SD 3.83Å
500H88.2Confident88.2Confident8 Ų827.6 Ų27.64%0.03717%0.174CC..Hα-helixtrans-66.7-40-179.6-68.1170.7000112.9D310 A351 T496 D497 Y498D310-H500 IonicContact OD2-CE1 2.82Å; D310-H500 PolarHBondContact OD2-CE1 2.78Å; D310-H500 IonicContact OD2-ND1 3.98Å; D310-H500 IonicContact OD2-NE2 3.61Å; A351-H500 WeakPolarHBondContact CB-NE2 3.29Å; T496-H500 WeakPolarHBondContact CG2-CE1 3.22Å; T496-H500 PolarHBondContact O-CD2 3.02Å; T496-H500 VanDerWaalsContact O-CG 3.23Å; T496-H500 PolarHBondContact O-N 2.89Å; D497-H500 PolarHBondContact O-N 3.14Å; Y498-H500 VanDerWaalsContact C-N 3.32Å; Y498-H500 PolarHBondContact O-N 2.82Å
501R93.5Very high87.4Confident1 Ų128.6 Ų28.60%0.00418%0.181CC..Hα-helixtrans-67.8-48.9174.8-66.1-175.6-171.9-176.42.7110.9F420 N422 D472 V486 N488 D490 D497 Y498 G503 R504F420-R501 HydrophobicContact CB-CG 4.48Å; F420-R501 HydrophobicContact CD1-CG 3.68Å; F420-R501 HydrophobicContact CD2-CB 4.01Å; F420-R501 HydrophobicContact CD2-CG 3.9Å; F420-R501 HydrophobicContact CE1-CB 4.46Å; F420-R501 HydrophobicContact CE1-CG 3.66Å; F420-R501 HydrophobicContact CE2-CB 3.86Å; F420-R501 HydrophobicContact CE2-CG 3.92Å; F420-R501 HydrophobicContact CG-CB 4.4Å; F420-R501 HydrophobicContact CG-CG 3.78Å; F420-R501 HydrophobicContact CZ-CB 4.12Å; F420-R501 HydrophobicContact CZ-CG 3.81Å; N422-R501 PolarHBondContact OD1-NH2 3.26Å; D472-R501 WeakPolarHBondContact OD1-CG 3.46Å; D472-R501 IonicContact OD1-CZ 3.89Å; D472-R501 IonicContact OD1-NE 3.95Å; D472-R501 PolarHBondContact OD1-NE 2.71Å; D472-R501 IonicContact OD1-NH2 3.29Å; D472-R501 IonicContact OD2-CZ 2.83Å; D472-R501 IonicContact OD2-NE 2.77Å; D472-R501 PolarHBondContact OD2-NE 3.35Å; D472-R501 IonicContact OD2-NH2 2.87Å; D472-R501 PolarHBondContact OD2-NH2 3.44Å; V486-R501 HydrophobicContact CG1-CB 4.46Å; N488-R501 WeakPolarHBondContact OD1-CB 3.44Å; N488-R501 WeakPolarHBondContact OD1-CD 3.35Å; D490-R501 PolarHBondContact O-NH1 3.28Å; D497-R501 WeakPolarHBondContact O-CB 3.4Å; D497-R501 VanDerWaalsContact O-CG 3.26Å; D497-R501 WeakPolarHBondContact O-CG 3.33Å; D497-R501 PolarHBondContact O-N 3.25Å; Y498-R501 PolarHBondContact O-N 3.48Å; R501-G503 PolarHBondContact O-N 3.45Å; R501-R504 WeakPolarHBondContact O-CB 3.12Å; R501-R504 WeakPolarHBondContact O-CG 3.27Å; R501-R504 PolarHBondContact O-N 3.05Å; R501-R504 VanDerWaalsContact O-N 3.12Å
502A92.4Very high86.2Confident2 Ų236.9 Ų36.92%0.01722%0.22CC..Hα-helixtrans-60.5-34.8177.300000112.4M382 Y498 I499 R504 V505 V516M382-A502 HydrophobicContact SD-CB 4.19Å; Y498-A502 HydrophobicContact CE1-CB 4.41Å; Y498-A502 VanDerWaalsContact O-CB 3.27Å; Y498-A502 WeakPolarHBondContact O-CB 3.37Å; Y498-A502 PolarHBondContact O-N 3.46Å; I499-A502 PolarHBondContact O-N 3.29Å; A502-R504 PolarHBondContact O-N 3.07Å; A502-V505 WeakPolarHBondContact O-CG2 3.48Å; A502-V505 PolarHBondContact O-N 3.44Å; A502-V516 HydrophobicContact CB-CG2 3.93Å
503G89.3Confident85.6Confident2 Ų240.4 Ų40.42%0.02124%0.238CC..THydrogen-bonded Turntrans-68.93176.500000115.7T198 I499 R501T198-G503 VanDerWaalsContact CG2-O 3.28Å; T198-G503 WeakPolarHBondContact CG2-O 2.96Å; I499-G503 PolarHBondContact O-N 2.86Å; R501-G503 PolarHBondContact O-N 3.45Å
504R91.2Very high85.5Confident6 Ų633.5 Ų33.52%0.02321%0.208CC..THydrogen-bonded Turntrans-83.7-11.3171.6-58.9-66.2168.7-164.3-12.8113.2L418 F420 S475 L478 T480 V486 R501 A502L418-R504 HydrophobicContact CD2-CB 3.81Å; L418-R504 HydrophobicContact CD2-CG 3.74Å; F420-R504 HydrophobicContact CE2-CG 4.28Å; F420-R504 HydrophobicContact CZ-CG 4Å; S475-R504 PolarHBondContact O-NH1 2.99Å; S475-R504 PolarHBondContact O-NH2 3.47Å; L478-R504 VanDerWaalsContact N-NH1 3.14Å; L478-R504 PolarHBondContact O-NH1 2.94Å; T480-R504 VanDerWaalsContact CB-O 3.32Å; T480-R504 WeakPolarHBondContact CB-O 3.24Å; T480-R504 HydrophobicContact CG2-CB 4.22Å; T480-R504 HydrophobicContact CG2-CG 4.48Å; T480-R504 WeakPolarHBondContact OG1-CD 3.43Å; T480-R504 PolarHBondContact OG1-O 3.24Å; V486-R504 HydrophobicContact CG2-CB 3.81Å; R501-R504 WeakPolarHBondContact O-CB 3.12Å; R501-R504 WeakPolarHBondContact O-CG 3.27Å; R501-R504 PolarHBondContact O-N 3.05Å; R501-R504 VanDerWaalsContact O-N 3.12Å; A502-R504 PolarHBondContact O-N 3.07Å
505V90.6Very high85.6Confident2 Ų232.9 Ų32.91%0.01220%0.201CC..SBendtrans-113.3167.2171-73.80000110.6M382 V385 V483 V486 A502 R507 V516M382-V505 WeakPolarHBondContact CE-O 3.32Å; V385-V505 HydrophobicContact CG1-CG2 3.72Å; V385-V505 HydrophobicContact CG2-CG2 4.32Å; V483-V505 HydrophobicContact CB-CG1 4.16Å; V483-V505 HydrophobicContact CG1-CG1 3.63Å; V483-V505 WeakPolarHBondContact O-CG1 3.43Å; V486-V505 HydrophobicContact CB-CG1 4.33Å; V486-V505 HydrophobicContact CG2-CB 4.4Å; V486-V505 HydrophobicContact CG2-CG1 3.57Å; V486-V505 HydrophobicContact CG2-CG2 4.2Å; A502-V505 WeakPolarHBondContact O-CG2 3.48Å; A502-V505 PolarHBondContact O-N 3.44Å; V505-R507 VanDerWaalsContact C-N 3.28Å; V505-R507 PolarHBondContact O-N 3.42Å; V505-V516 HydrophobicContact CG2-CG2 3.67Å
506G83.6Confident85.9Confident8 Ų831.5 Ų31.58%0.08219%0.194CC..SBendtrans58.936.6175.500000113.8H384H384-G506 PolarHBondContact CD2-O 2.91Å; H384-G506 PolarHBondContact NE2-O 2.56Å
507R81.5Confident86.4Confident63 Ų6329.5 Ų29.524%0.23818%0.182CC..  trans-83.2160.2177.5-62.917965.1105.2-3110.8V505 G509 G510V505-R507 VanDerWaalsContact C-N 3.28Å; V505-R507 PolarHBondContact O-N 3.42Å; R507-G509 PolarHBondContact O-N 2.85Å; R507-G510 PolarHBondContact O-N 3.36Å
508A70.5Confident86.8Confident48 Ų4828.4 Ų28.440%0.39718%0.176SC..THydrogen-bonded Turntrans-54.3128.2169.100000110F137 G510F137-A508 HydrophobicContact CD2-CB 4.36Å; F137-A508 HydrophobicContact CE2-CB 3.57Å; F137-A508 HydrophobicContact CZ-CB 4.32Å; A508-G510 PolarHBondContact O-N 2.91Å
509G70.8Confident87Confident84 Ų8428.4 Ų28.487%0.86618%0.176SC*.THydrogen-bonded Turntrans68.39.5-177.300000114.9R507R507-G509 PolarHBondContact O-N 2.85Å
510G75Confident87.3Confident19 Ų1927.7 Ų27.720%0.19617%0.172CC..SBendtrans-92.4-176.7173.100000112.9S481 R507 A508 E512S481-G510 WeakPolarHBondContact O-CA 3.44Å; R507-G510 PolarHBondContact O-N 3.36Å; A508-G510 PolarHBondContact O-N 2.91Å; G510-E512 PolarHBondContact O-N 3.22Å
511V79.6Confident87.7Confident47 Ų4728.1 Ų28.129%0.28518%0.176SC..  trans-65.1131.2178.8-171.50000111.2S481 R484 D513S481-V511 PolarHBondContact O-N 3Å; R484-V511 HydrophobicContact CB-CG1 4.36Å; R484-V511 HydrophobicContact CG-CG1 4.35Å; V511-D513 WeakPolarHBondContact CG1-OD1 3.36Å; V511-D513 PolarHBondContact O-N 2.82Å
512E73.1Confident87.7Confident182 Ų18231.8 Ų31.885%0.8519%0.193SC*.THydrogen-bonded Turntrans-73.6-18.8-171-63.8-171155.300114.8G510G510-E512 PolarHBondContact O-N 3.22Å
513D81.8Confident87.8Confident76 Ų7634.5 Ų34.541%0.40621%0.21SC..THydrogen-bonded Turntrans-11237.1-178.464.4-6.5000113.8R484 V511 E515R484-D513 VanDerWaalsContact CZ-CG 3.44Å; R484-D513 IonicContact CZ-OD1 3.41Å; R484-D513 IonicContact CZ-OD2 2.94Å; R484-D513 IonicContact NE-OD1 3.69Å; R484-D513 IonicContact NE-OD2 3.86Å; R484-D513 IonicContact NH1-OD1 3Å; R484-D513 PolarHBondContact NH1-OD1 3.37Å; R484-D513 IonicContact NH1-OD2 2.63Å; R484-D513 PolarHBondContact NH1-OD2 2.94Å; R484-D513 IonicContact NH2-OD2 3Å; R484-D513 PolarHBondContact NH2-OD2 2.95Å; V511-D513 WeakPolarHBondContact CG1-OD1 3.36Å; V511-D513 PolarHBondContact O-N 2.82Å; D513-E515 PolarHBondContact O-N 2.83Å
514G89.4Confident88Confident5 Ų542.9 Ų42.95%0.05224%0.241CC..  trans-57133.5174.100000113.6R484R484-G514 CarbonylContact O-C 3.53Å; R484-G514 VanDerWaalsContact O-CA 3.31Å; R484-G514 WeakPolarHBondContact O-CA 3.28Å
515E93.8Very high88.2Confident25 Ų2543.3 Ų43.312%0.11724%0.244CC..EExtended strand (participates in β ladder)trans-128.6152.117466.8174-165.600113.2K386 R484 L485 V486 D513K386-E515 HydrophobicContact CB-CB 4.24Å; K386-E515 IonicContact NZ-OE2 3.21Å; K386-E515 PolarHBondContact NZ-OE2 2.92Å; K386-E515 CarbonylContact O-C 3.55Å; K386-E515 VanDerWaalsContact O-CA 3.29Å; K386-E515 WeakPolarHBondContact O-CA 3.25Å; R484-E515 PolarHBondContact O-N 2.9Å; L485-E515 WeakPolarHBondContact CA-O 3.41Å; L485-E515 HydrophobicContact CD1-CG 3.73Å; V486-E515 PolarHBondContact N-O 3.28Å; D513-E515 PolarHBondContact O-N 2.83Å
516V97.4Very high88.4Confident1 Ų143.2 Ų43.21%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-116128.2175.4-177.90000108.3V385 K386 Q387 T388 V486 A502 V505V385-V516 HydrophobicContact CG1-CG2 3.73Å; K386-V516 PolarHBondContact O-N 3.33Å; Q387-V516 CarbonylContact C-O 3.48Å; Q387-V516 WeakPolarHBondContact CA-O 3.47Å; Q387-V516 HydrophobicContact CB-CB 4.45Å; Q387-V516 HydrophobicContact CG-CB 4.05Å; Q387-V516 HydrophobicContact CG-CG2 4.24Å; T388-V516 PolarHBondContact N-O 3.08Å; V486-V516 HydrophobicContact CB-CG2 4.28Å; V486-V516 HydrophobicContact CG1-CG1 4.29Å; V486-V516 CarbonylContact O-C 3.53Å; V486-V516 WeakPolarHBondContact O-CA 3.19Å; A502-V516 HydrophobicContact CB-CG2 3.93Å; V505-V516 HydrophobicContact CG2-CG2 3.67Å
517L98Very high88.9Confident2 Ų248.5 Ų48.51%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-113.3130.3171.6176.166.2000109T388 Y404 L485 V486 V487 N488 F519T388-L517 HydrophobicContact CG2-CD1 4.12Å; T388-L517 CarbonylContact O-C 3.57Å; T388-L517 WeakPolarHBondContact O-CA 3.49Å; Y404-L517 HydrophobicContact CD1-CD2 3.73Å; Y404-L517 HydrophobicContact CD2-CD2 3.33Å; Y404-L517 HydrophobicContact CE1-CD1 4.19Å; Y404-L517 HydrophobicContact CE1-CD2 3.88Å; Y404-L517 HydrophobicContact CE2-CD1 4.19Å; Y404-L517 HydrophobicContact CE2-CD2 3.54Å; Y404-L517 HydrophobicContact CG-CD2 3.45Å; Y404-L517 VanDerWaalsContact CG-CD2 3.45Å; L485-L517 HydrophobicContact CD1-CB 4.21Å; V486-L517 PolarHBondContact O-N 3.39Å; V487-L517 CarbonylContact C-O 3.57Å; V487-L517 WeakPolarHBondContact CA-O 3.48Å; V487-L517 HydrophobicContact CG1-CB 4.44Å; V487-L517 HydrophobicContact CG1-CD2 4.14Å; V487-L517 HydrophobicContact CG1-CG 4.38Å; V487-L517 HydrophobicContact CG2-CB 4.45Å; V487-L517 HydrophobicContact CG2-CD2 4.45Å; N488-L517 PolarHBondContact N-O 2.95Å; L517-F519 HydrophobicContact CD1-CE1 4.28Å; L517-F519 HydrophobicContact CD2-CE1 3.66Å; L517-F519 HydrophobicContact CD2-CZ 3.95Å; L517-F519 HydrophobicContact CG-CD1 4.37Å; L517-F519 HydrophobicContact CG-CE1 3.94Å
518S98.4Very high89.6Confident0 Ų046.5 Ų46.50%026%0.26CS..EExtended strand (participates in β ladder)trans-126.1122.9178.6-54.70000111.7T388 F389 L390 N488T388-S518 PolarHBondContact O-N 3.36Å; F389-S518 WeakPolarHBondContact CA-O 3.46Å; L390-S518 PolarHBondContact N-O 3.3Å; N488-S518 PolarHBondContact ND2-OG 3.02Å
519F98.4Very high90.8Very high0 Ų044.2 Ų44.20%024%0.241CC..EExtended strand (participates in β ladder)trans-85.9121.1173.7-66.9-22.6000110.3L390 V392 K397 E400 L401 V487 N488 Y489 L517L390-F519 HydrophobicContact CB-CD1 4.47Å; L390-F519 HydrophobicContact CD2-CD1 4.37Å; L390-F519 HydrophobicContact CD2-CE1 4.13Å; V392-F519 HydrophobicContact CG1-CD1 4.12Å; V392-F519 HydrophobicContact CG2-CB 3.63Å; V392-F519 HydrophobicContact CG2-CD1 4.22Å; V392-F519 HydrophobicContact CG2-CG 3.92Å; K397-F519 HydrophobicContact CB-CD2 4.17Å; K397-F519 HydrophobicContact CB-CE2 4.37Å; K397-F519 HydrophobicContact CG-CD2 4.17Å; K397-F519 WeakPolarHBondContact O-CE2 3.18Å; E400-F519 HydrophobicContact CB-CE1 4.02Å; E400-F519 HydrophobicContact CB-CE2 4.4Å; E400-F519 HydrophobicContact CB-CZ 3.66Å; L401-F519 HydrophobicContact CB-CE2 4.1Å; L401-F519 HydrophobicContact CB-CZ 4.35Å; V487-F519 HydrophobicContact CG1-CE2 4.26Å; V487-F519 HydrophobicContact CG1-CZ 4.41Å; N488-F519 PolarHBondContact O-N 2.87Å; Y489-F519 HydrophobicContact CD2-CD2 4.01Å; Y489-F519 AromaticContact CD2-CE2 3.97Å; Y489-F519 HydrophobicContact CD2-CE2 3.97Å; Y489-F519 HydrophobicContact CE2-CE2 4.47Å; L517-F519 HydrophobicContact CD1-CE1 4.28Å; L517-F519 HydrophobicContact CD2-CE1 3.66Å; L517-F519 HydrophobicContact CD2-CZ 3.95Å; L517-F519 HydrophobicContact CG-CD1 4.37Å; L517-F519 HydrophobicContact CG-CE1 3.94Å
520V97.7Very high92Very high0 Ų042.5 Ų42.50%021%0.21CC..EExtended strand (participates in β ladder)trans-106110.9178.6-175.90000107.5W116 F389 L390 K391 V392 F491 D525 V526 V529W116-V520 HydrophobicContact CE3-CB 4.31Å; W116-V520 HydrophobicContact CE3-CG1 4.16Å; W116-V520 HydrophobicContact CE3-CG2 4.5Å; W116-V520 HydrophobicContact CZ3-CB 4.18Å; W116-V520 HydrophobicContact CZ3-CG1 4.49Å; W116-V520 HydrophobicContact CZ3-CG2 4.02Å; F389-V520 HydrophobicContact CB-CG2 4.48Å; F389-V520 HydrophobicContact CD1-CG2 4.4Å; L390-V520 PolarHBondContact O-N 3.42Å; K391-V520 WeakPolarHBondContact CA-O 3.45Å; K391-V520 HydrophobicContact CD-CB 4.38Å; K391-V520 HydrophobicContact CD-CG1 4.16Å; K391-V520 VanDerWaalsContact CD-O 3.31Å; K391-V520 WeakPolarHBondContact CD-O 3.02Å; K391-V520 WeakPolarHBondContact CE-O 3.42Å; V392-V520 PolarHBondContact N-O 3.48Å; F491-V520 HydrophobicContact CD2-CG2 3.93Å; F491-V520 HydrophobicContact CE2-CG2 3.89Å; V520-D525 HydrophobicContact CG1-CB 3.82Å; V520-V526 HydrophobicContact CG1-CG2 4.38Å; V520-V529 HydrophobicContact CB-CG2 4.4Å; V520-V529 HydrophobicContact CG1-CG2 3.93Å; V520-V529 HydrophobicContact CG2-CG2 3.52Å
521T95Very high93Very high18 Ų1844 Ų4411%0.1121%0.214CC..  trans-108.7-47.7-172.3-54.20000110.8K391 D525K391-T521 WeakPolarHBondContact CE-O 3.25Å; K391-T521 VanDerWaalsContact NZ-C 3.34Å; K391-T521 PolarHBondContact NZ-O 3.38Å; T521-D525 PolarHBondContact N-OD2 3.25Å
522H94.5Very high93.8Very high78 Ų7841.8 Ų41.836%0.36120%0.201SC..SBendtrans-99.1158.8-168-59.8-74.2000112.9K391 W524 D525K391-H522 PolarHBondContact NZ-O 2.93Å; H522-W524 VanDerWaalsContact C-N 3.27Å; H522-W524 HydrophobicContact CB-CD2 3.46Å; H522-W524 VanDerWaalsContact CB-CD2 3.46Å; H522-W524 HydrophobicContact CB-CE3 3.84Å; H522-W524 HydrophobicContact CB-CG 4.07Å; H522-W524 HydrophobicContact CB-CH2 3.71Å; H522-W524 HydrophobicContact CB-CZ2 3.31Å; H522-W524 HydrophobicContact CB-CZ3 3.94Å; H522-W524 AromaticContact CD2-CE2 3.82Å; H522-W524 AromaticContact CD2-CZ2 3.41Å; H522-W524 VanDerWaalsContact CD2-CZ2 3.41Å; H522-W524 WeakPolarHBondContact CD2-CZ2 3.33Å; H522-W524 AromaticContact CD2-NE1 3.96Å; H522-W524 AromaticContact CE1-CH2 3.9Å; H522-W524 AromaticContact CE1-CZ2 3.78Å; H522-W524 AromaticContact CG-CE2 3.43Å; H522-W524 VanDerWaalsContact CG-CE2 3.43Å; H522-W524 AromaticContact CG-CH2 3.48Å; H522-W524 VanDerWaalsContact CG-CH2 3.48Å; H522-W524 AromaticContact CG-CZ2 3.04Å; H522-W524 AromaticContact CG-NE1 3.9Å; H522-W524 AromaticContact ND1-CH2 3.27Å; H522-W524 VanDerWaalsContact ND1-CH2 3.27Å; H522-W524 WeakPolarHBondContact ND1-CH2 3.48Å; H522-W524 AromaticContact ND1-CZ2 3.31Å; H522-W524 VanDerWaalsContact ND1-CZ2 3.31Å; H522-W524 WeakPolarHBondContact ND1-CZ2 3.29Å; H522-W524 AromaticContact NE2-CZ2 3.87Å; H522-W524 PolarHBondContact O-N 2.96Å; H522-D525 IonicContact CD2-OD2 3.5Å; H522-D525 PolarHBondContact N-OD2 3.21Å; H522-D525 WeakPolarHBondContact O-CB 3.05Å; H522-D525 PolarHBondContact O-N 3.35Å
523P94Very high94.8Very high59 Ų5933.1 Ų33.138%0.38316%0.16SC..THydrogen-bonded Turntrans-64.4-27.6175.9-24.835.7000114.3K117 V526K117-P523 HydrophobicContact CB-CB 4.43Å; K117-P523 HydrophobicContact CG-CB 4.41Å; P523-V526 WeakPolarHBondContact O-CB 3.3Å; P523-V526 PolarHBondContact O-N 3.09Å
524W93.8Very high95.4Very high177 Ų17730.8 Ų30.867%0.6715%0.149SC*.THydrogen-bonded Turntrans-73.6-31177.853.781.2000112.6H522 V526H522-W524 VanDerWaalsContact C-N 3.27Å; H522-W524 HydrophobicContact CB-CD2 3.46Å; H522-W524 VanDerWaalsContact CB-CD2 3.46Å; H522-W524 HydrophobicContact CB-CE3 3.84Å; H522-W524 HydrophobicContact CB-CG 4.07Å; H522-W524 HydrophobicContact CB-CH2 3.71Å; H522-W524 HydrophobicContact CB-CZ2 3.31Å; H522-W524 HydrophobicContact CB-CZ3 3.94Å; H522-W524 AromaticContact CD2-CE2 3.82Å; H522-W524 AromaticContact CD2-CZ2 3.41Å; H522-W524 VanDerWaalsContact CD2-CZ2 3.41Å; H522-W524 WeakPolarHBondContact CD2-CZ2 3.33Å; H522-W524 AromaticContact CD2-NE1 3.96Å; H522-W524 AromaticContact CE1-CH2 3.9Å; H522-W524 AromaticContact CE1-CZ2 3.78Å; H522-W524 AromaticContact CG-CE2 3.43Å; H522-W524 VanDerWaalsContact CG-CE2 3.43Å; H522-W524 AromaticContact CG-CH2 3.48Å; H522-W524 VanDerWaalsContact CG-CH2 3.48Å; H522-W524 AromaticContact CG-CZ2 3.04Å; H522-W524 AromaticContact CG-NE1 3.9Å; H522-W524 AromaticContact ND1-CH2 3.27Å; H522-W524 VanDerWaalsContact ND1-CH2 3.27Å; H522-W524 WeakPolarHBondContact ND1-CH2 3.48Å; H522-W524 AromaticContact ND1-CZ2 3.31Å; H522-W524 VanDerWaalsContact ND1-CZ2 3.31Å; H522-W524 WeakPolarHBondContact ND1-CZ2 3.29Å; H522-W524 AromaticContact NE2-CZ2 3.87Å; H522-W524 PolarHBondContact O-N 2.96Å; W524-V526 PolarHBondContact O-N 2.91Å
525D95.1Very high95.6Very high16 Ų1630.7 Ų30.79%0.08615%0.148CC..Hα-helixtrans-60-30173.5-55-23.1000111.9F491 V520 T521 H522 E527 L528 V529F491-D525 HydrophobicContact CB-CB 4.22Å; F491-D525 HydrophobicContact CD1-CB 3.72Å; F491-D525 HydrophobicContact CE1-CB 4.41Å; F491-D525 HydrophobicContact CG-CB 4.12Å; V520-D525 HydrophobicContact CG1-CB 3.82Å; T521-D525 PolarHBondContact N-OD2 3.25Å; H522-D525 IonicContact CD2-OD2 3.5Å; H522-D525 PolarHBondContact N-OD2 3.21Å; H522-D525 WeakPolarHBondContact O-CB 3.05Å; H522-D525 PolarHBondContact O-N 3.35Å; D525-E527 VanDerWaalsContact C-N 3.29Å; D525-E527 PolarHBondContact O-N 2.72Å; D525-L528 PolarHBondContact O-N 3.41Å; D525-V529 WeakPolarHBondContact O-CG2 3.44Å; D525-V529 PolarHBondContact O-N 3.16Å; D525-V529 VanDerWaalsContact O-N 3.11Å
526V95.4Very high95.5Very high0 Ų029.9 Ų29.90%015%0.145CC..Hα-helixtrans-63.8-33.4-170.4179.30000112.3W116 K117 V520 P523 W524 V529 Q530W116-V526 HydrophobicContact CB-CG1 3.85Å; W116-V526 HydrophobicContact CB-CG2 3.89Å; W116-V526 WeakPolarHBondContact O-CG2 3.45Å; K117-V526 HydrophobicContact CG-CB 4.11Å; K117-V526 HydrophobicContact CG-CG1 4.06Å; K117-V526 HydrophobicContact CG-CG2 4.22Å; V520-V526 HydrophobicContact CG1-CG2 4.38Å; P523-V526 WeakPolarHBondContact O-CB 3.3Å; P523-V526 PolarHBondContact O-N 3.09Å; W524-V526 PolarHBondContact O-N 2.91Å; V526-V529 PolarHBondContact O-N 3.22Å; V526-Q530 HydrophobicContact CG1-CG 4.21Å; V526-Q530 WeakPolarHBondContact O-CB 3.33Å; V526-Q530 VanDerWaalsContact O-CG 3.24Å; V526-Q530 WeakPolarHBondContact O-CG 3.44Å; V526-Q530 PolarHBondContact O-N 2.9Å
527E94.4Very high95.3Very high119 Ų11930.3 Ų30.356%0.55615%0.147SC*.Hα-helixtrans-65.6-45178.9-176.7172.4-179.700111.3D525 V529 Q530 N531D525-E527 VanDerWaalsContact C-N 3.29Å; D525-E527 PolarHBondContact O-N 2.72Å; E527-V529 VanDerWaalsContact C-N 3.33Å; E527-V529 PolarHBondContact O-N 2.88Å; E527-Q530 PolarHBondContact O-N 3.21Å; E527-N531 PolarHBondContact O-N 2.9Å; E527-N531 PolarHBondContact O-ND2 3.36Å
528L95.4Very high94.9Very high21 Ų2133.5 Ų33.511%0.1116%0.159CC..Hα-helixtrans-62.8-40.6175.9-177.565.6000111.2F491 P492 H495 D525 N531 I532F491-L528 HydrophobicContact CD1-CD2 4.11Å; F491-L528 HydrophobicContact CE1-CB 3.94Å; F491-L528 HydrophobicContact CE1-CD2 3.61Å; F491-L528 HydrophobicContact CE1-CG 3.83Å; P492-L528 WeakPolarHBondContact O-CD2 3.47Å; H495-L528 HydrophobicContact CB-CD1 4.33Å; H495-L528 WeakPolarHBondContact CD2-CD1 3.45Å; H495-L528 VanDerWaalsContact CG-CD1 3.48Å; H495-L528 VanDerWaalsContact NE2-CD1 3.3Å; H495-L528 WeakPolarHBondContact NE2-CD1 3.23Å; D525-L528 PolarHBondContact O-N 3.41Å; L528-N531 PolarHBondContact O-N 3.27Å; L528-I532 HydrophobicContact CG-CD1 4.19Å; L528-I532 VanDerWaalsContact O-CG1 3.29Å; L528-I532 WeakPolarHBondContact O-CG1 3.39Å; L528-I532 PolarHBondContact O-N 3.03Å
529V96.4Very high94.5Very high0 Ų037.7 Ų37.70%018%0.177CC..Hα-helixtrans-60.8-44.5173.7176.70000111.9W116 F126 F389 F491 V520 D525 V526 E527 N531 I532 E533W116-V529 HydrophobicContact CE3-CG1 4.36Å; W116-V529 HydrophobicContact CZ3-CG1 4.21Å; F126-V529 HydrophobicContact CE1-CG1 3.59Å; F126-V529 HydrophobicContact CZ-CG1 3.75Å; F389-V529 HydrophobicContact CD1-CG1 4.25Å; F389-V529 HydrophobicContact CD1-CG2 4.27Å; F491-V529 HydrophobicContact CE1-CG2 3.64Å; F491-V529 HydrophobicContact CE2-CG2 3.87Å; F491-V529 HydrophobicContact CZ-CB 4.44Å; F491-V529 HydrophobicContact CZ-CG2 3.28Å; V520-V529 HydrophobicContact CB-CG2 4.4Å; V520-V529 HydrophobicContact CG1-CG2 3.93Å; V520-V529 HydrophobicContact CG2-CG2 3.52Å; D525-V529 WeakPolarHBondContact O-CG2 3.44Å; D525-V529 PolarHBondContact O-N 3.16Å; D525-V529 VanDerWaalsContact O-N 3.11Å; V526-V529 PolarHBondContact O-N 3.22Å; E527-V529 VanDerWaalsContact C-N 3.33Å; E527-V529 PolarHBondContact O-N 2.88Å; V529-N531 VanDerWaalsContact C-N 3.32Å; V529-N531 PolarHBondContact O-N 3.49Å; V529-I532 PolarHBondContact O-N 3.17Å; V529-E533 WeakPolarHBondContact O-CB 2.94Å; V529-E533 PolarHBondContact O-N 3.23Å
530Q95.7Very high94.1Very high47 Ų4740.7 Ų40.722%0.2220%0.195CC..Hα-helixtrans-64.2-37.9179.5-76.9174.3-3.800111.8L111 S113 V526 E527 T534L111-Q530 HydrophobicContact CD1-CB 3.73Å; L111-Q530 HydrophobicContact CD1-CG 3.73Å; S113-Q530 PolarHBondContact O-NE2 2.92Å; S113-Q530 WeakPolarHBondContact OG-CG 3.41Å; V526-Q530 HydrophobicContact CG1-CG 4.21Å; V526-Q530 WeakPolarHBondContact O-CB 3.33Å; V526-Q530 VanDerWaalsContact O-CG 3.24Å; V526-Q530 WeakPolarHBondContact O-CG 3.44Å; V526-Q530 PolarHBondContact O-N 2.9Å; E527-Q530 PolarHBondContact O-N 3.21Å; Q530-T534 VanDerWaalsContact O-CB 3.28Å; Q530-T534 WeakPolarHBondContact O-CB 3.36Å; Q530-T534 PolarHBondContact O-N 2.98Å; Q530-T534 PolarHBondContact O-OG1 2.82Å
531N95.3Very high93.7Very high52 Ų5243.4 Ų43.428%0.27821%0.214SC..Hα-helixtrans-64.9-45.1174.1-71.7-22.4000111.7H495 E527 L528 V529 T534 A535 P543H495-N531 WeakPolarHBondContact NE2-CB 3.38Å; E527-N531 PolarHBondContact O-N 2.9Å; E527-N531 PolarHBondContact O-ND2 3.36Å; L528-N531 PolarHBondContact O-N 3.27Å; V529-N531 VanDerWaalsContact C-N 3.32Å; V529-N531 PolarHBondContact O-N 3.49Å; N531-T534 PolarHBondContact O-N 2.68Å; N531-A535 WeakPolarHBondContact O-CB 3.36Å; N531-A535 PolarHBondContact O-N 3.2Å; N531-P543 HydrophobicContact CB-CG 3.76Å
532I95.9Very high93.4Very high0 Ų042.7 Ų42.70%021%0.209CC..Hα-helixtrans-62-47.1175.9-68.1163.5000110.9I128 L381 F389 F491 Y498 L528 V529 T534 A535 A536 L542I128-I532 HydrophobicContact CD1-CG2 4.21Å; L381-I532 HydrophobicContact CD1-CG2 3.87Å; L381-I532 HydrophobicContact CD2-CG2 3.98Å; F389-I532 HydrophobicContact CE1-CD1 4.21Å; F389-I532 HydrophobicContact CE1-CG2 4.38Å; F389-I532 HydrophobicContact CE2-CG2 4.2Å; F389-I532 HydrophobicContact CZ-CB 4.47Å; F389-I532 HydrophobicContact CZ-CD1 4.37Å; F389-I532 HydrophobicContact CZ-CG2 3.62Å; F491-I532 HydrophobicContact CZ-CD1 4.26Å; Y498-I532 HydrophobicContact CD1-CD1 3.88Å; Y498-I532 HydrophobicContact CD1-CG1 4.45Å; Y498-I532 HydrophobicContact CD2-CD1 3.92Å; Y498-I532 HydrophobicContact CE1-CD1 4.16Å; Y498-I532 HydrophobicContact CE1-CG2 4.39Å; Y498-I532 HydrophobicContact CE2-CD1 4.19Å; Y498-I532 HydrophobicContact CG-CD1 3.78Å; L528-I532 HydrophobicContact CG-CD1 4.19Å; L528-I532 VanDerWaalsContact O-CG1 3.29Å; L528-I532 WeakPolarHBondContact O-CG1 3.39Å; L528-I532 PolarHBondContact O-N 3.03Å; V529-I532 PolarHBondContact O-N 3.17Å; I532-T534 VanDerWaalsContact C-N 3.35Å; I532-T534 PolarHBondContact O-N 3.38Å; I532-A535 PolarHBondContact O-N 2.93Å; I532-A536 WeakPolarHBondContact O-CB 3.32Å; I532-A536 PolarHBondContact O-N 3.33Å; I532-L542 HydrophobicContact CB-CD2 4.39Å; I532-L542 HydrophobicContact CG1-CD2 3.9Å
533E95.3Very high93.1Very high0 Ų041.7 Ų41.70%021%0.21CC..Hα-helixtrans-60.5-45.6177.8-169.1-172.4160.100111.1L111 C112 S113 F126 V529 A535 A536 R537L111-E533 VanDerWaalsContact CA-OE1 3.3Å; L111-E533 WeakPolarHBondContact CA-OE1 3.35Å; L111-E533 WeakPolarHBondContact CB-OE2 3.36Å; L111-E533 HydrophobicContact CD2-CB 4.31Å; L111-E533 HydrophobicContact CD2-CG 4.05Å; C112-E533 WeakPolarHBondContact CB-OE1 3.32Å; C112-E533 VanDerWaalsContact N-CD 3.34Å; C112-E533 PolarHBondContact N-OE1 2.91Å; C112-E533 PolarHBondContact N-OE2 2.63Å; C112-E533 VanDerWaalsContact N-OE2 3.17Å; S113-E533 WeakPolarHBondContact CB-OE2 3.17Å; S113-E533 PolarHBondContact N-OE2 3.34Å; S113-E533 PolarHBondContact OG-OE2 3.29Å; F126-E533 HydrophobicContact CD2-CG 4.45Å; F126-E533 HydrophobicContact CE2-CB 4.11Å; F126-E533 HydrophobicContact CE2-CG 3.95Å; F126-E533 HydrophobicContact CZ-CB 3.92Å; F126-E533 HydrophobicContact CZ-CG 4.1Å; V529-E533 WeakPolarHBondContact O-CB 2.94Å; V529-E533 PolarHBondContact O-N 3.23Å; E533-A535 PolarHBondContact O-N 3.3Å; E533-A536 WeakPolarHBondContact O-CB 3.43Å; E533-A536 PolarHBondContact O-N 3.39Å; E533-R537 VanDerWaalsContact O-CG 3.27Å; E533-R537 WeakPolarHBondContact O-CG 3.35Å; E533-R537 PolarHBondContact O-N 3.2Å; E533-R537 IonicContact OE1-CZ 2.83Å; E533-R537 VanDerWaalsContact OE1-CZ 3.29Å; E533-R537 IonicContact OE1-NE 2.65Å; E533-R537 PolarHBondContact OE1-NE 3.09Å; E533-R537 IonicContact OE1-NH2 3.71Å; E533-R537 PolarHBondContact OE1-NH2 3.4Å
534T93.9Very high92.3Very high27 Ų2743 Ų4317%0.16623%0.234CC..Hα-helixtrans-61.3-45.6178.2-60.30000111.4P109 Q530 N531 I532 A536 R537 R538P109-T534 HydrophobicContact CG-CG2 4.22Å; Q530-T534 VanDerWaalsContact O-CB 3.28Å; Q530-T534 WeakPolarHBondContact O-CB 3.36Å; Q530-T534 PolarHBondContact O-N 2.98Å; Q530-T534 PolarHBondContact O-OG1 2.82Å; N531-T534 PolarHBondContact O-N 2.68Å; I532-T534 VanDerWaalsContact C-N 3.35Å; I532-T534 PolarHBondContact O-N 3.38Å; T534-A536 VanDerWaalsContact C-N 3.32Å; T534-A536 PolarHBondContact O-N 3.07Å; T534-R537 PolarHBondContact O-N 3.21Å; T534-R538 WeakPolarHBondContact O-CB 3.38Å; T534-R538 WeakPolarHBondContact O-CG 3.46Å; T534-R538 PolarHBondContact O-N 3.47Å
535A93.1Very high91.7Very high3 Ų336.1 Ų36.13%0.02521%0.21CC..Hα-helixtrans-62.3-39.6177.100000111.8N531 I532 E533 R538 K539 T540 L542N531-A535 WeakPolarHBondContact O-CB 3.36Å; N531-A535 PolarHBondContact O-N 3.2Å; I532-A535 PolarHBondContact O-N 2.93Å; E533-A535 PolarHBondContact O-N 3.3Å; A535-R538 PolarHBondContact O-N 2.85Å; A535-K539 WeakPolarHBondContact O-CA 3.41Å; A535-K539 PolarHBondContact O-N 3.19Å; A535-T540 PolarHBondContact O-N 3.35Å; A535-L542 HydrophobicContact CB-CD2 3.72Å
536A92.4Very high90.8Very high8 Ų838.5 Ų38.57%0.06622%0.219CC..Hα-helixtrans-61.2-51.1174.500000111.7I88 I128 L381 I532 E533 T534 R538 K539I88-A536 HydrophobicContact CD1-CB 4.14Å; I128-A536 HydrophobicContact CD1-CB 3.65Å; I128-A536 HydrophobicContact CG1-CB 4.15Å; I128-A536 HydrophobicContact CG2-CB 4.21Å; L381-A536 HydrophobicContact CD1-CB 3.62Å; I532-A536 WeakPolarHBondContact O-CB 3.32Å; I532-A536 PolarHBondContact O-N 3.33Å; E533-A536 WeakPolarHBondContact O-CB 3.43Å; E533-A536 PolarHBondContact O-N 3.39Å; T534-A536 VanDerWaalsContact C-N 3.32Å; T534-A536 PolarHBondContact O-N 3.07Å; A536-R538 VanDerWaalsContact C-N 3.26Å; A536-R538 PolarHBondContact O-N 3.4Å; A536-K539 PolarHBondContact O-N 3.35Å; A536-K539 VanDerWaalsContact O-N 3.15Å
537R92.1Very high89.6Confident10 Ų1041 Ų414%0.03824%0.237CC..Hα-helixtrans-62.8-31.3-178.6-69-177.5175.5-85.85.4113.3I88 L95 Q97 A103 C112 E533 T534I88-R537 HydrophobicContact CD1-CG 4.4Å; I88-R537 HydrophobicContact CG1-CG 3.89Å; L95-R537 PolarHBondContact O-NH1 2.88Å; L95-R537 PolarHBondContact O-NH2 3.45Å; Q97-R537 PolarHBondContact NE2-O 2.89Å; A103-R537 PolarHBondContact N-O 2.88Å; C112-R537 PolarHBondContact SG-NH2 3.29Å; E533-R537 VanDerWaalsContact O-CG 3.27Å; E533-R537 WeakPolarHBondContact O-CG 3.35Å; E533-R537 PolarHBondContact O-N 3.2Å; E533-R537 IonicContact OE1-CZ 2.83Å; E533-R537 VanDerWaalsContact OE1-CZ 3.29Å; E533-R537 IonicContact OE1-NE 2.65Å; E533-R537 PolarHBondContact OE1-NE 3.09Å; E533-R537 IonicContact OE1-NH2 3.71Å; E533-R537 PolarHBondContact OE1-NH2 3.4Å; T534-R537 PolarHBondContact O-N 3.21Å
538R90.8Very high88.5Confident69 Ų6942.2 Ų42.226%0.2624%0.243SC..Hα-helixtrans-93.4-10.1178.1-67.5-179.5172.8165.6-1.6113.7T102 A103 E107 T534 A535 A536 T540T102-R538 VanDerWaalsContact CG2-O 3.3Å; T102-R538 WeakPolarHBondContact CG2-O 2.91Å; A103-R538 HydrophobicContact CB-CG 4.12Å; E107-R538 PolarHBondContact O-NH2 2.9Å; T534-R538 WeakPolarHBondContact O-CB 3.38Å; T534-R538 WeakPolarHBondContact O-CG 3.46Å; T534-R538 PolarHBondContact O-N 3.47Å; A535-R538 PolarHBondContact O-N 2.85Å; A536-R538 VanDerWaalsContact C-N 3.26Å; A536-R538 PolarHBondContact O-N 3.4Å; R538-T540 HydrophobicContact CB-CG2 3.84Å; R538-T540 PolarHBondContact O-N 3.38Å
539K89Confident87.3Confident88 Ų8843.2 Ų43.238%0.38325%0.248SC..THydrogen-bonded Turntrans5340.6-172.2-57.7175.8-178.2165.80112.2A99 T102 A535 A536A99-K539 PolarHBondContact O-NZ 3Å; T102-K539 HydrophobicContact CG2-CD 4.48Å; T102-K539 HydrophobicContact CG2-CG 4.43Å; A535-K539 WeakPolarHBondContact O-CA 3.41Å; A535-K539 PolarHBondContact O-N 3.19Å; A536-K539 PolarHBondContact O-N 3.35Å; A536-K539 VanDerWaalsContact O-N 3.15Å
540T90.5Very high85.9Confident63 Ų6348.4 Ų48.439%0.38727%0.272SS..  trans-106.8168.117957.20000111.2H380 A535 R538H380-T540 VanDerWaalsContact CD2-C 3.47Å; A535-T540 PolarHBondContact O-N 3.35Å; R538-T540 HydrophobicContact CB-CG2 3.84Å; R538-T540 PolarHBondContact O-N 3.38Å
541S89.8Confident84.3Confident56 Ų5653.9 Ų53.939%0.39230%0.298SS..PPolyproline II helixtrans-62.9156167.157.70000111.3H379 H380H379-S541 CarbonylContact O-C 3.54Å; H379-S541 WeakPolarHBondContact O-CA 3.35Å; H380-S541 PolarHBondContact NE2-N 2.97Å
542L89.6Confident82.8Confident3 Ų354.1 Ų54.12%0.01630%0.302CS..PPolyproline II helixtrans-62.9142.7172.5-67.4177.2000110.8H379 L381 H495 I499 I532 A535 M545H379-L542 PolarHBondContact O-N 2.9Å; L381-L542 HydrophobicContact CD2-CD1 4.37Å; L381-L542 HydrophobicContact CD2-CD2 4.21Å; H495-L542 HydrophobicContact CB-CB 4.31Å; H495-L542 HydrophobicContact CB-CD1 3.83Å; I499-L542 HydrophobicContact CD1-CD1 3.47Å; I499-L542 VanDerWaalsContact CD1-CD1 3.47Å; I499-L542 HydrophobicContact CD1-CG 4.34Å; I499-L542 HydrophobicContact CG1-CD1 3.71Å; I532-L542 HydrophobicContact CB-CD2 4.39Å; I532-L542 HydrophobicContact CG1-CD2 3.9Å; A535-L542 HydrophobicContact CB-CD2 3.72Å; L542-M545 HydrophobicContact CB-CG 4.26Å; L542-M545 HydrophobicContact CB-SD 3.84Å; L542-M545 HydrophobicContact CD1-SD 4.28Å
543P86.1Confident80.9Confident58 Ų5862.9 Ų62.938%0.37734%0.34SS..THydrogen-bonded Turntrans-69.2151.4-178.729.2-34.1000111.7N531 M545N531-P543 HydrophobicContact CB-CG 3.76Å; P543-M545 PolarHBondContact O-N 3.36Å
544G78.9Confident78.6Confident87 Ų8767.2 Ų67.290%0.89738%0.376SS*.THydrogen-bonded Turntrans77.4-2.1174.300000115.8
545M80Confident76.2Confident32 Ų3275.4 Ų75.416%0.15841%0.409CS..  trans-84.8127.1176.7-54.7-166.587.300110.8T352 H379 H495 T496 I499 L542 P543T352-M545 HydrophobicContact CG2-CE 3.76Å; H379-M545 HydrophobicContact CB-CB 4.05Å; H379-M545 HydrophobicContact CB-CG 4.35Å; H379-M545 HydrophobicContact CB-SD 3.55Å; H379-M545 VanDerWaalsContact CB-SD 3.55Å; H379-M545 VanDerWaalsContact CG-SD 3.56Å; H379-M545 WeakPolarHBondContact ND1-CB 3.4Å; H495-M545 HydrophobicContact CB-CG 4.37Å; H495-M545 HydrophobicContact CB-SD 4.14Å; T496-M545 VanDerWaalsContact OG1-CE 3.3Å; T496-M545 WeakPolarHBondContact OG1-CE 3.47Å; I499-M545 HydrophobicContact CD1-CE 4.19Å; I499-M545 HydrophobicContact CD1-SD 3.83Å; L542-M545 HydrophobicContact CB-CG 4.26Å; L542-M545 HydrophobicContact CB-SD 3.84Å; L542-M545 HydrophobicContact CD1-SD 4.28Å; P543-M545 PolarHBondContact O-N 3.36Å
546K76.3Confident73.6Confident65 Ų6581.1 Ų81.128%0.28344%0.444SS..  trans-62.9154.5179-68.3-172.8-177160.40111.5F353 D355 H379F353-K546 HydrophobicContact CB-CB 4.2Å; D355-K546 WeakPolarHBondContact OD1-CD 3.38Å; D355-K546 WeakPolarHBondContact OD1-CE 3.11Å; D355-K546 IonicContact OD1-NZ 3.89Å; D355-K546 PolarHBondContact OD1-NZ 2.69Å; H379-K546 PolarHBondContact CE1-O 3.06Å; H379-K546 PolarHBondContact ND1-O 3.33Å
547S70.5Confident71.1Confident52 Ų5288.7 Ų88.736%0.36448%0.477SS..  trans-129.5-4.1179.4550000114.7F353F353-S547 WeakPolarHBondContact CE2-O 3.16Å; F353-S547 WeakPolarHBondContact CZ-O 3.06Å
548E72.1Confident68.6Low146 Ų14694.5 Ų94.568%0.68251%0.509SS*.SBendtrans-148156.2-172.4-64.5-178.9-178.600109Q550E548-Q550 PolarHBondContact O-N 3.11Å
549I69.5Low66.2Low41 Ų4196.4 Ų96.421%0.2153%0.529CS..PPolyproline II helixtrans-69.1122.7173-56.7174.3000107.3L193 L367L193-I549 HydrophobicContact CD1-CD1 3.64Å; L193-I549 HydrophobicContact CD1-CG1 3.66Å; L367-I549 HydrophobicContact CD1-CG2 4.16Å; L367-I549 HydrophobicContact CD2-CG2 4.41Å
550Q66.5Low64Low110 Ų110101 Ų10151%0.51455%0.551SS.*PPolyproline II helixtrans-86.7131.6170.6-68.8-178.4-9.700108.9E548E548-Q550 PolarHBondContact O-N 3.11Å
551E62.5Low61.5Low162 Ų162110 Ų11076%0.75759%0.589SS**PPolyproline II helixtrans-61.2144.6166.7-69.7-173.6172.300109.7K553E551-K553 PolarHBondContact O-N 3.21Å
552P63.5Low60.1Low57 Ų57112.7 Ų112.737%0.3760%0.599SS.*PPolyproline II helixtrans-56.4128176.222-30.1000109E359 A554E359-P552 HydrophobicContact CG-CB 4.28Å; P552-A554 PolarHBondContact O-N 3.09Å
553K56.7Low58.5Low184 Ų184118.4 Ų118.480%0.863%0.63SS**PPolyproline II helixtrans-60128.8174.1-68.5-177.8179.4179.30107.6E551 K555E551-K553 PolarHBondContact O-N 3.21Å; K553-K555 PolarHBondContact O-N 3.25Å; K553-K555 VanDerWaalsContact O-N 3.09Å
554A46.7Very low57Low91 Ų91121.8 Ų121.875%0.75264%0.644SS**PPolyproline II helixtrans-50.2123172.600000108P552 V556P552-A554 PolarHBondContact O-N 3.09Å; A554-V556 PolarHBondContact O-N 2.92Å
555K44.4Very low55.7Low198 Ų198123.8 Ų123.886%0.86163%0.629SS**  trans-59.6113.5172.8-75.2-176.6177.5-178.30105.8K553 E557K553-K555 PolarHBondContact O-N 3.25Å; K553-K555 VanDerWaalsContact O-N 3.09Å; K555-E557 VanDerWaalsContact C-N 3.25Å; K555-E557 PolarHBondContact O-N 2.98Å
556V38.1Very low54.2Low124 Ų124129.6 Ų129.675%0.75266%0.658SS**  trans-64.999.9164.4-1790000104.1A554 N558A554-V556 PolarHBondContact O-N 2.92Å; V556-N558 VanDerWaalsContact C-N 3.3Å; V556-N558 PolarHBondContact O-N 2.87Å
557E39.4Very low52.7Low166 Ų166133.9 Ų133.978%0.77668%0.683SS**  trans-60.4102.7164.7-76-179.3166.300105.5K555 T559K555-E557 VanDerWaalsContact C-N 3.25Å; K555-E557 PolarHBondContact O-N 2.98Å; E557-T559 PolarHBondContact O-N 2.95Å; E557-T559 PolarHBondContact O-OG1 3.44Å
558N40.4Very low51.4Low133 Ų133139.7 Ų139.771%0.71171%0.706SS**  trans-66.889159.8-79.4-10.3000105.6V556 E560V556-N558 VanDerWaalsContact C-N 3.3Å; V556-N558 PolarHBondContact O-N 2.87Å; N558-E560 PolarHBondContact O-N 3.17Å
559T40.2Very low49.9Very low109 Ų109139.2 Ų139.267%0.66971%0.708SS**  trans-67.584.8163.2-24.70000106.2E557 Q561E557-T559 PolarHBondContact O-N 2.95Å; E557-T559 PolarHBondContact O-OG1 3.44Å; T559-Q561 PolarHBondContact O-N 2.92Å
560E43.1Very low48.2Very low183 Ų183147.4 Ų147.486%0.85575%0.749SS**  trans-69.7102.8159.2-75-177.7171.300106.3N558N558-E560 PolarHBondContact O-N 3.17Å
561Q37.2Very low46.6Very low252 Ų252150.8 Ų150.8100%1.17877%0.771SS**  trans-87.90161.5-81.2-174-11.900109.8T559T559-Q561 PolarHBondContact O-N 2.92Å

Retrieved 561 of 561 residues in 1245.1 ms (Link to these results)