A0A060Y6D4_ONCMY Loading...

LIM/homeobox protein Lhx9

May be involved in gonadal development.

AlphaFold DB , UniProt , Accession A0A060Y6D4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110521836, Length 398 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.8Low47.7Very low57 Ų57104.2 Ų104.228%0.28162%0.62SS.*  0151.30-86.1140.4160.300109.1A89 L99 L112 C114M1-A89 HydrophobicContact CE-CB 3.32Å; M1-A89 HydrophobicContact CG-CB 3.89Å; M1-L99 HydrophobicContact CE-CD1 3.44Å; M1-L99 VanDerWaalsContact CE-CD1 3.44Å; M1-L99 HydrophobicContact CE-CD2 3.22Å; M1-L99 HydrophobicContact CE-CG 3.85Å; M1-L99 HydrophobicContact SD-CD2 3.84Å; M1-L112 PolarHBondContact N-O 3.01Å; M1-C114 HydrophobicContact CE-CB 3.46Å; M1-C114 VanDerWaalsContact CE-CB 3.46Å; M1-C114 WeakPolarHBondContact CE-SG 3.48Å; M1-C114 HydrophobicContact SD-CB 3.84Å
2E61.2Low46.8Very low135 Ų135105.2 Ų105.263%0.63164%0.636SS**EExtended strand (participates in β ladder)trans-111.6137.5171-62-169.7134.400109.4V4 L88E2-V4 HydrophobicContact CB-CG2 4.48Å; E2-L88 PolarHBondContact N-O 2.92Å; E2-L88 PolarHBondContact O-N 3.33Å
3V63.9Low45.3Very low83 Ų83107.3 Ų107.350%0.50366%0.656SS.*EExtended strand (participates in β ladder)trans-91.1109.6172-176.30000106.8L87 L112V3-L87 HydrophobicContact CG2-CD2 3.84Å; V3-L112 HydrophobicContact CG2-CD2 4.34Å
4V69.6Low44.9Very low42 Ų42109.5 Ų109.526%0.25567%0.669SS.*EExtended strand (participates in β ladder)trans-100.5127-177-173.80000108.9E2 Y85 Y86 L88E2-V4 HydrophobicContact CB-CG2 4.48Å; V4-Y85 WeakPolarHBondContact O-CA 3.28Å; V4-Y86 HydrophobicContact CB-CD2 4.25Å; V4-Y86 HydrophobicContact CB-CE1 4.21Å; V4-Y86 HydrophobicContact CB-CE2 3.7Å; V4-Y86 HydrophobicContact CG1-CE1 4.17Å; V4-Y86 HydrophobicContact CG1-CE2 4.14Å; V4-Y86 WeakPolarHBondContact CG1-OH 3.34Å; V4-Y86 HydrophobicContact CG2-CE2 4.22Å; V4-Y86 PolarHBondContact N-O 3.26Å; V4-Y86 PolarHBondContact O-N 3.22Å; V4-L88 HydrophobicContact CG2-CB 4.09Å
5G48.5Very low44Very low46 Ų46113.9 Ų113.947%0.47469%0.686SS.*EExtended strand (participates in β ladder)trans-81.7124172.300000110.7K7 R84G5-K7 PolarHBondContact O-N 3.19Å; G5-R84 WeakPolarHBondContact CA-O 3.24Å
6C41.1Very low43.2Very low62 Ų62121.5 Ų121.542%0.41970%0.699SS.*PPolyproline II helixtrans-79.5119.7174.2-153.80000109.6A8 R84 Y86C6-A8 PolarHBondContact O-N 3.46Å; C6-R84 PolarHBondContact N-O 3.15Å; C6-Y86 HydrophobicContact CB-CD1 4.26Å; C6-Y86 HydrophobicContact CB-CE1 3.99Å
7K37.1Very low42.6Very low208 Ų208129.2 Ų129.290%0.90471%0.714SS**  trans-72.691.5171.5-91.2-168.9169.9-170.80109.9G5G5-K7 PolarHBondContact O-N 3.19Å
8A36.1Very low41.9Very low90 Ų90128.3 Ų128.374%0.74472%0.718SS**  trans-70.6140.1152.300000108.6C6 A10C6-A8 PolarHBondContact O-N 3.46Å; A8-A10 PolarHBondContact O-N 3.04Å
9E39.8Very low41.4Very low205 Ų205125.9 Ų125.996%0.95873%0.725SS**  trans-75.9105.9-178.9-64.7-161.5104.200111.5
10A33.6Very low41.2Very low96 Ų96125.2 Ų125.279%0.79374%0.735SS**  trans-149.4136.5163.300000110A8A8-A10 PolarHBondContact O-N 3.04Å
11S36.4Very low40.7Very low122 Ų122123 Ų12385%0.85374%0.738SS**  trans-44.6135-169.3-53.40000117.6
12S37.6Very low39.7Very low116 Ų116124.9 Ų124.981%0.81176%0.763SS**  trans42.1100.8147.8-178.80000119.3
13C27Very low38.4Very low133 Ų133125.8 Ų125.890%0.89977%0.769SS**  trans-153.9143.2131-133.10000111.2
14T40.2Very low37Very low138 Ų138130.1 Ų130.185%0.84779%0.789SS**  trans-94.7127.3-173.648.60000112.2
15L31.5Very low35.3Very low176 Ų176136 Ų13692%0.92181%0.811SS**  trans-140.3153.5161.9-156.660.1000111.1
16R30.1Very low34.6Very low235 Ų235143.3 Ų143.389%0.88783%0.832SS**  trans-84.1145.2-157.9-68.2178.6168.6-141.4-1.9114.1
17R33.2Very low34.1Very low253 Ų253143.7 Ų143.796%0.95585%0.847SS**  trans-80.3132.4167.8-178.2-174.3-175.6-1643.7110
18S31Very low33.9Very low113 Ų113141.8 Ų141.879%0.7985%0.845SS**  trans-139.8136.9175.8-70.40000111.3
19G31Very low34.1Very low82 Ų82143.2 Ų143.285%0.84585%0.85SS**  trans72.3113.9161.900000117.1
20A38.3Very low34.3Very low112 Ų112136.3 Ų136.393%0.92683%0.833SS**PPolyproline II helixtrans-90.3127.7157.500000108.9
21G30.6Very low34.6Very low78 Ų78139.9 Ų139.980%0.80484%0.839SS**PPolyproline II helixtrans-99.5133.9171.800000110.7
22A35Very low35Very low98 Ų98141.4 Ų141.481%0.8183%0.832SS**PPolyproline II helixtrans-81.6142.1-18000000112
23M34.1Very low35.5Very low153 Ų153141.8 Ų141.875%0.75482%0.824SS**PPolyproline II helixtrans-65.1141.1172.1-69.8-72.8-154.200111.3F25M23-F25 HydrophobicContact CB-CD1 4.06Å; M23-F25 HydrophobicContact CB-CE1 3.39Å; M23-F25 HydrophobicContact CB-CZ 3.7Å; M23-F25 HydrophobicContact CG-CE1 4.09Å
24L35.8Very low36.3Very low174 Ų174143.5 Ų143.591%0.91182%0.818SS**  trans-118.8121.5168.3-73.9173.4000109.4
25F34Very low36.4Very low165 Ų165139.8 Ų139.872%0.72481%0.808SS**  trans-123.4124.7-179.8-0.8-108.6000111.5M23M23-F25 HydrophobicContact CB-CD1 4.06Å; M23-F25 HydrophobicContact CB-CE1 3.39Å; M23-F25 HydrophobicContact CB-CZ 3.7Å; M23-F25 HydrophobicContact CG-CE1 4.09Å
26H33.2Very low37.2Very low200 Ų200136.5 Ų136.593%0.92679%0.79SS**  trans-144.8128.6159-72.7-67.5000107.1
27G30.1Very low37.9Very low70 Ų70132.3 Ų132.372%0.72278%0.782SS**  cis150.4160.5-300000110.2
28I34.3Very low38.6Very low169 Ų169127.8 Ų127.887%0.86777%0.772SS**  trans-152149.1167.925.3172.3000112.1
29S39.1Very low39.4Very low120 Ų120126.1 Ų126.184%0.83975%0.752SS**  trans46.5103.2156.7-54.90000118.3
30G44.4Very low40.4Very low59 Ų59129 Ų12961%0.60875%0.745SS**  trans-98.9124.7174.400000113.7
31D40.5Very low40.9Very low171 Ų171130.3 Ų130.391%0.91473%0.732SS**SBendtrans-151.730.7136.9-137.5-18.8000112
32H44.9Very low41.7Very low154 Ų154134.6 Ų134.671%0.71372%0.724SS**  trans-143.952.1-174.1-166.978000111.7
33I47.9Very low42.4Very low125 Ų125137.8 Ų137.864%0.64172%0.715SS**  trans-116.3-23.1-170.5-64.6173.8000112.8G35I33-G35 PolarHBondContact O-N 3.44Å
34Q42.3Very low42.9Very low168 Ų168134.5 Ų134.579%0.78571%0.707SS**THydrogen-bonded Turntrans-66.8-37.6-173-156.365.94100113.9
35G42.3Very low43.2Very low60 Ų60134 Ų13462%0.61970%0.698SS**THydrogen-bonded Turntrans-84.8-17-17200000116.3I33I33-G35 PolarHBondContact O-N 3.44Å
36I50.3Low43.7Very low108 Ų108131.3 Ų131.355%0.55470%0.695SS**Hα-helixtrans-85.9-21.7-173.5-62.3177000111.7
37M44.8Very low44.1Very low147 Ų147128.7 Ų128.772%0.72469%0.687SS**Hα-helixtrans-76.3-36.8-174.3-155168.271.700113.3M40 E41M37-M40 PolarHBondContact O-N 3.21Å; M37-E41 PolarHBondContact O-N 3.07Å
38E46.6Very low44.5Very low157 Ų157129.9 Ų129.973%0.73469%0.685SS**Hα-helixtrans-68.7-33.8176.9-74.5-173.6105.800113M40 E41 R42E38-M40 VanDerWaalsContact C-N 3.29Å; E38-M40 PolarHBondContact O-N 3.34Å; E38-E41 PolarHBondContact O-N 3.22Å; E38-R42 WeakPolarHBondContact O-CB 3.46Å; E38-R42 PolarHBondContact O-N 2.87Å
39E49Very low45Very low78 Ų78132.9 Ų132.936%0.36469%0.685SS.*Hα-helixtrans-66.9-29.3179.8-178.756.2-158.300112.5R42 R43E39-R42 IonicContact OE2-NE 2.68Å; E39-R43 WeakPolarHBondContact O-CD 3.22Å; E39-R43 WeakPolarHBondContact O-CG 3.28Å; E39-R43 PolarHBondContact O-N 2.59Å; E39-R43 WeakPolarHBondContact OE1-CD 3.44Å; E39-R43 IonicContact OE1-CZ 3.85Å; E39-R43 IonicContact OE1-NE 3.99Å; E39-R43 IonicContact OE1-NH1 3.61Å; E39-R43 PolarHBondContact OE1-NH1 3.22Å
40M50.4Low45.2Very low144 Ų144135 Ų13571%0.70969%0.686SS**Hα-helixtrans-75.7-41.1175.2-175.7171.5-78.500112.6M37 E38 R42 R43 S44M37-M40 PolarHBondContact O-N 3.21Å; E38-M40 VanDerWaalsContact C-N 3.29Å; E38-M40 PolarHBondContact O-N 3.34Å; M40-R42 VanDerWaalsContact C-N 3.34Å; M40-R43 PolarHBondContact O-N 3.35Å; M40-S44 PolarHBondContact O-N 3.4Å; M40-S44 PolarHBondContact O-OG 3.46Å
41E50.5Low45.1Very low138 Ų138138.5 Ų138.565%0.64570%0.696SS**Hα-helixtrans-61.6-43.1175.3-171.974-135.100110.6M37 E38 R43 S44M37-E41 PolarHBondContact O-N 3.07Å; E38-E41 PolarHBondContact O-N 3.22Å; E41-R43 PolarHBondContact O-N 2.86Å; E41-S44 PolarHBondContact O-N 3.04Å
42R46.9Very low44.9Very low168 Ų168140.7 Ų140.763%0.63470%0.697SS**Hα-helixtrans-67.1-31.5-176.7-151.4-176.271.779.22113.7E38 E39 M40E38-R42 WeakPolarHBondContact O-CB 3.46Å; E38-R42 PolarHBondContact O-N 2.87Å; E39-R42 IonicContact OE2-NE 2.68Å; M40-R42 VanDerWaalsContact C-N 3.34Å
43R48.2Very low44.3Very low165 Ų165136.7 Ų136.762%0.62370%0.698SS**Hα-helixtrans-78.4-30.8179.4-74.2166.2114.2132.8-11.7113.5E39 M40 E41 K45 T46E39-R43 WeakPolarHBondContact O-CD 3.22Å; E39-R43 WeakPolarHBondContact O-CG 3.28Å; E39-R43 PolarHBondContact O-N 2.59Å; E39-R43 WeakPolarHBondContact OE1-CD 3.44Å; E39-R43 IonicContact OE1-CZ 3.85Å; E39-R43 IonicContact OE1-NE 3.99Å; E39-R43 IonicContact OE1-NH1 3.61Å; E39-R43 PolarHBondContact OE1-NH1 3.22Å; M40-R43 PolarHBondContact O-N 3.35Å; E41-R43 PolarHBondContact O-N 2.86Å; R43-K45 PolarHBondContact O-N 3.36Å; R43-T46 PolarHBondContact O-OG1 2.88Å; R43-T46 VanDerWaalsContact O-OG1 3.04Å
44S46.5Very low43.7Very low85 Ų85138 Ų13859%0.59471%0.711SS**Hα-helixtrans-70.8-14.5179.4-59.10000113.7M40 E41M40-S44 PolarHBondContact O-N 3.4Å; M40-S44 PolarHBondContact O-OG 3.46Å; E41-S44 PolarHBondContact O-N 3.04Å
45K41.6Very low43.5Very low164 Ų164137.7 Ų137.771%0.71371%0.71SS**THydrogen-bonded Turntrans-95.5-5.4-174.3-140.4161.1-167.4159.70114.9R43R43-K45 PolarHBondContact O-N 3.36Å
46T44.6Very low43.5Very low107 Ų107141.9 Ų141.966%0.65672%0.717SS**THydrogen-bonded Turntrans-95.7-26.7177.8380000114.2R43R43-T46 PolarHBondContact O-OG1 2.88Å; R43-T46 VanDerWaalsContact O-OG1 3.04Å
47D40.4Very low42.7Very low145 Ų145144.9 Ų144.978%0.77573%0.734SS**SBendtrans-77.7-30.1-173.7-159.4-113.2000113.2R49D47-R49 PolarHBondContact O-N 3.47Å
48S39.1Very low42.5Very low95 Ų95141.3 Ų141.366%0.66474%0.735SS**THydrogen-bonded Turntrans-76.320.9-170.851.50000116
49R45.4Very low42Very low232 Ų232145.4 Ų145.488%0.87574%0.744SS**THydrogen-bonded Turntrans-121.75.6-172.7-130.4-179-167.6-161.12.2116.7D47D47-R49 PolarHBondContact O-N 3.47Å
50L41.9Very low41.4Very low165 Ų165150.4 Ų150.486%0.86477%0.767SS**  trans-127.844.6-171.5-98.5160.9000115.3
51T42.3Very low41.1Very low132 Ų132149.2 Ų149.281%0.8177%0.773SS**  trans-131.668.7175.648.90000114
52K37.1Very low40.5Very low218 Ų218148.9 Ų148.995%0.94878%0.781SS**  trans-166.9117.3163.1-110.4167.1-174.2179.50111
53G33.1Very low40.3Very low70 Ų70149.2 Ų149.272%0.72279%0.791SS**  trans162.898.2168.400000118.7
54V33.6Very low40Very low151 Ų151146.5 Ų146.592%0.91580%0.795SS**  trans70.5172.9144.7-170.80000117
55Q38.6Very low39.7Very low163 Ų163148.2 Ų148.276%0.76281%0.807SS**  trans-122.4161-148.7-62.91725.800114.2
56L42.9Very low39.8Very low148 Ų148148.4 Ų148.478%0.77581%0.813SS**  trans37.6112.7144.1-63.2170.8000119.6
57N33.3Very low39.6Very low170 Ų170145.8 Ų145.891%0.90981%0.807SS**  -163.9145.7113.9-101.1-33.4000111
58G40.2Very low40Very low72 Ų72145.3 Ų145.374%0.74281%0.812SS**  trans-97.8147.7-176.100000113.9
59R36.5Very low40.7Very low244 Ų244149.3 Ų149.392%0.92182%0.82SS**  trans-174140.2158.443.3-173.3163.5175.6-3.9111
60E36Very low41.4Very low182 Ų182147.6 Ų147.685%0.8582%0.819SS**  trans26.2131169.1-120.178.6114.200121.9
61S45.3Very low42.4Very low119 Ų119143.2 Ų143.283%0.83280%0.8SS**  trans-76.4121.8172.8-59.20000112.9
62T37.4Very low44.1Very low132 Ų132138.2 Ų138.281%0.8177%0.772SS**  trans-138.5103.5156.9-57.20000109.7
63M43.1Very low46.7Very low174 Ų174132 Ų13286%0.85775%0.749SS**PPolyproline II helixtrans-79.2138.2173.1-73.5-69-148.800110.5S65M63-S65 PolarHBondContact O-N 3.05Å
64P41.4Very low49.5Very low108 Ų108128.8 Ų128.870%0.70172%0.715SS**PPolyproline II helixtrans-69.8122.4169.729-32.5000109.9M66P64-M66 PolarHBondContact O-N 3.01Å
65S39.6Very low52.1Low122 Ų122124 Ų12485%0.85369%0.692SS**PPolyproline II helixtrans-68.3121.8176.4-173.20000110.7M63M63-S65 PolarHBondContact O-N 3.05Å
66M44.5Very low54.4Low167 Ų167118 Ų11882%0.82367%0.674SS**PPolyproline II helixtrans-87.2140.6167-73.1-67176.800109.5P64P64-M66 PolarHBondContact O-N 3.01Å
67G39.7Very low56.6Low53 Ų53114.6 Ų114.655%0.54666%0.662SS.*  trans-68.1-178-173.300000114.8E69G67-E69 PolarHBondContact O-N 3.43Å
68P49.6Very low59.2Low134 Ų134109 Ų10987%0.8764%0.643SS**  trans-65.2103.3-174.526.6-34.7000111.8K70P68-K70 PolarHBondContact O-N 3.31Å
69E54.1Low61.6Low179 Ų179107 Ų10784%0.83662%0.623SS**PPolyproline II helixtrans-46.1126.8166.7-72.4-80.38600109.7G67G67-E69 PolarHBondContact O-N 3.43Å
70K59.3Low64.2Low197 Ų197102.7 Ų102.786%0.85761%0.611SS**PPolyproline II helixtrans-59.7130.5-179-71.1175.1-179.5171.90108.9P68 A72P68-K70 PolarHBondContact O-N 3.31Å; K70-A72 PolarHBondContact O-N 3.04Å
71P62.6Low66.7Low72 Ų7294.9 Ų94.947%0.46858%0.575SS.*PPolyproline II helixtrans-60.1133.1-175.124.6-34.2000110.3L73 K80P71-L73 HydrophobicContact CB-CD2 4.46Å; P71-L73 HydrophobicContact CG-CD2 4.4Å; P71-L73 WeakPolarHBondContact O-CG 3.44Å; P71-L73 PolarHBondContact O-N 2.82Å; P71-K80 HydrophobicContact CB-CD 4.27Å; P71-K80 HydrophobicContact CB-CG 4.26Å
72A78.5Confident68.7Low27 Ų2794.7 Ų94.722%0.22357%0.574CS.*  trans-59104.7175.600000110K70 K80 I81 Q93K70-A72 PolarHBondContact O-N 3.04Å; A72-K80 CarbonylContact O-C 3.57Å; A72-K80 WeakPolarHBondContact O-CA 3.47Å; A72-I81 HydrophobicContact CB-CB 4.16Å; A72-I81 HydrophobicContact CB-CD1 4.4Å; A72-I81 PolarHBondContact O-N 3.07Å; A72-Q93 VanDerWaalsContact CA-OE1 3.22Å
73L91Very high71Confident89 Ų8990.6 Ų90.647%0.46655%0.547SS..BIsolated β-bridgetrans-99.7128.3178.7-60.7-170.8000110.1P71 A75 K80P71-L73 HydrophobicContact CB-CD2 4.46Å; P71-L73 HydrophobicContact CG-CD2 4.4Å; P71-L73 WeakPolarHBondContact O-CG 3.44Å; P71-L73 PolarHBondContact O-N 2.82Å; L73-A75 PolarHBondContact O-N 3.13Å; L73-K80 HydrophobicContact CD2-CB 4.38Å; L73-K80 HydrophobicContact CD2-CG 3.71Å
74C91.6Very high73.1Confident1 Ų191 Ų911%0.00754%0.539CS..  trans-70.4118177.7171.50000111G76 C77 G78 G79 I81 Q93 H95 C98C74-G76 PolarHBondContact O-N 3.44Å; C74-G76 VanDerWaalsContact O-N 3.08Å; C74-G76 PolarHBondContact SG-N 2.96Å; C74-C77 PolarHBondContact O-N 3.28Å; C74-C77 VanDerWaalsContact O-N 3.13Å; C74-C77 VanDerWaalsContact SG-SG 3.61Å; C74-G78 WeakPolarHBondContact O-CA 3.45Å; C74-G78 PolarHBondContact O-N 3.13Å; C74-G79 PolarHBondContact N-O 3.25Å; C74-I81 HydrophobicContact CB-CD1 4.14Å; C74-I81 HydrophobicContact CB-CG1 3.85Å; C74-Q93 WeakPolarHBondContact CA-O 3.14Å; C74-H95 VanDerWaalsContact CB-CE1 3.43Å; C74-H95 WeakPolarHBondContact CB-CE1 3.46Å; C74-H95 WeakPolarHBondContact CB-ND1 3.31Å; C74-H95 PolarHBondContact SG-N 3.5Å; C74-H95 PolarHBondContact SG-ND1 3.33Å; C74-H95 VanDerWaalsContact SG-ND1 3.36Å; C74-C98 WeakPolarHBondContact SG-CB 3.42Å
75A88.5Confident75.2Confident52 Ų5292.1 Ų92.143%0.4353%0.53SS..THydrogen-bonded Turntrans-62.3-19.2-179.300000114.2L73 K92 Q93 W94L73-A75 PolarHBondContact O-N 3.13Å; A75-K92 HydrophobicContact CB-CB 3.89Å; A75-K92 HydrophobicContact CB-CD 3.94Å; A75-K92 HydrophobicContact CB-CG 4.31Å; A75-Q93 PolarHBondContact N-O 2.95Å; A75-W94 HydrophobicContact CB-CD2 4.15Å; A75-W94 HydrophobicContact CB-CE3 4.31Å; A75-W94 HydrophobicContact CB-CH2 3.96Å; A75-W94 HydrophobicContact CB-CZ2 3.78Å; A75-W94 HydrophobicContact CB-CZ3 4.22Å
76G86.8Confident77.5Confident37 Ų3787.7 Ų87.738%0.38150%0.495SS..THydrogen-bonded Turntrans-89.5-8.8177.500000116C74C74-G76 PolarHBondContact O-N 3.44Å; C74-G76 VanDerWaalsContact O-N 3.08Å; C74-G76 PolarHBondContact SG-N 2.96Å
77C89.6Confident79.5Confident76 Ų7680.3 Ų80.351%0.51446%0.459SS..THydrogen-bonded Turntrans-150.1-2.1179.568.40000116.2C74 G79 H95 C98C74-C77 PolarHBondContact O-N 3.28Å; C74-C77 VanDerWaalsContact O-N 3.13Å; C74-C77 VanDerWaalsContact SG-SG 3.61Å; C77-G79 PolarHBondContact O-N 3.37Å; C77-H95 VanDerWaalsContact SG-CE1 3.58Å; C77-H95 PolarHBondContact SG-ND1 3.22Å; C77-C98 VanDerWaalsContact SG-SG 3.64Å
78G87.6Confident81.8Confident51 Ų5180.5 Ų80.553%0.52645%0.447SS..SBendtrans72.8-15.8-178.300000115.7C74C74-G78 WeakPolarHBondContact O-CA 3.45Å; C74-G78 PolarHBondContact O-N 3.13Å
79G90.6Very high83.5Confident31 Ų3174.4 Ų74.432%0.3241%0.408SS..  trans-69.1153.5179.900000113.8C74 C77C74-G79 PolarHBondContact N-O 3.25Å; C77-G79 PolarHBondContact O-N 3.37Å
80K91.5Very high85Confident154 Ų15469.5 Ų69.567%0.6739%0.39SS*.BIsolated β-bridgetrans-65.8134.9171.8-64-178.4179.5179.20110.3P71 A72 L73 S82P71-K80 HydrophobicContact CB-CD 4.27Å; P71-K80 HydrophobicContact CB-CG 4.26Å; A72-K80 CarbonylContact O-C 3.57Å; A72-K80 WeakPolarHBondContact O-CA 3.47Å; L73-K80 HydrophobicContact CD2-CB 4.38Å; L73-K80 HydrophobicContact CD2-CG 3.71Å; K80-S82 PolarHBondContact O-N 3.45Å
81I89.4Confident86.2Confident18 Ų1867.7 Ų67.79%0.09239%0.39CS..  trans-80.4108.7176.1-59.8175.1000109A72 C74 D83 Y86 Q93 H95A72-I81 HydrophobicContact CB-CB 4.16Å; A72-I81 HydrophobicContact CB-CD1 4.4Å; A72-I81 PolarHBondContact O-N 3.07Å; C74-I81 HydrophobicContact CB-CD1 4.14Å; C74-I81 HydrophobicContact CB-CG1 3.85Å; I81-D83 HydrophobicContact CG2-CB 4.37Å; I81-Y86 HydrophobicContact CD1-CG 4.48Å; I81-Y86 HydrophobicContact CG2-CD1 4.04Å; I81-Y86 HydrophobicContact CG2-CG 4.14Å; I81-Q93 HydrophobicContact CD1-CB 3.54Å; I81-H95 WeakPolarHBondContact CA-NE2 3.46Å
82S87.3Confident87.4Confident115 Ų11569.7 Ų69.780%0.80439%0.391SS*.  trans-103.3-1.1169.957.80000113.3K80K80-S82 PolarHBondContact O-N 3.45Å
83D85.6Confident88Confident46 Ų4671.1 Ų71.125%0.24639%0.393CS..  trans-67.8139.2179.7-73-26.7000111.5I81 Y85 H95I81-D83 HydrophobicContact CG2-CB 4.37Å; D83-Y85 WeakPolarHBondContact CB-O 3.39Å; D83-Y85 PolarHBondContact O-N 3.19Å; D83-H95 IonicContact OD2-CD2 3.83Å; D83-H95 PolarHBondContact OD2-CD2 3.43Å; D83-H95 VanDerWaalsContact OD2-CD2 3.26Å; D83-H95 IonicContact OD2-CG 3.63Å
84R86.7Confident87.9Confident183 Ų18368.3 Ų68.369%0.69138%0.376SS*.SBendtrans-57.8-31.6176-178.7-177.6-69.3-175.8-0.2112.7G5 C6G5-R84 WeakPolarHBondContact CA-O 3.24Å; C6-R84 PolarHBondContact N-O 3.15Å
85Y84.6Confident87.9Confident130 Ų13069.3 Ų69.351%0.5138%0.381SS..EExtended strand (participates in β ladder)trans-129.3136.1178.6-54.2-71000109.1V4 D83 L96V4-Y85 WeakPolarHBondContact O-CA 3.28Å; D83-Y85 WeakPolarHBondContact CB-O 3.39Å; D83-Y85 PolarHBondContact O-N 3.19Å; Y85-L96 VanDerWaalsContact O-CD1 3.29Å; Y85-L96 WeakPolarHBondContact O-CD1 3.47Å
86Y88.3Confident87.8Confident30 Ų3069.3 Ų69.312%0.11837%0.373CS..EExtended strand (participates in β ladder)trans-137.4164.617563.5-95.5000111V4 C6 I81 Q93V4-Y86 HydrophobicContact CB-CD2 4.25Å; V4-Y86 HydrophobicContact CB-CE1 4.21Å; V4-Y86 HydrophobicContact CB-CE2 3.7Å; V4-Y86 HydrophobicContact CG1-CE1 4.17Å; V4-Y86 HydrophobicContact CG1-CE2 4.14Å; V4-Y86 WeakPolarHBondContact CG1-OH 3.34Å; V4-Y86 HydrophobicContact CG2-CE2 4.22Å; V4-Y86 PolarHBondContact N-O 3.26Å; V4-Y86 PolarHBondContact O-N 3.22Å; C6-Y86 HydrophobicContact CB-CD1 4.26Å; C6-Y86 HydrophobicContact CB-CE1 3.99Å; I81-Y86 HydrophobicContact CD1-CG 4.48Å; I81-Y86 HydrophobicContact CG2-CD1 4.04Å; I81-Y86 HydrophobicContact CG2-CG 4.14Å; Y86-Q93 HydrophobicContact CD2-CB 4.24Å; Y86-Q93 HydrophobicContact CD2-CG 4.29Å; Y86-Q93 HydrophobicContact CE2-CB 4.35Å; Y86-Q93 HydrophobicContact CE2-CG 3.9Å
87L87.2Confident87.8Confident12 Ų1275.4 Ų75.46%0.06339%0.385CS..EExtended strand (participates in β ladder)trans-101.5129-177-56.7-179000110.2V3 W94 L96 L99V3-L87 HydrophobicContact CG2-CD2 3.84Å; L87-W94 PolarHBondContact N-O 2.94Å; L87-W94 PolarHBondContact O-N 3.46Å; L87-L96 HydrophobicContact CD1-CG 4.21Å; L87-L96 HydrophobicContact CD2-CD1 4.37Å; L87-L96 HydrophobicContact CD2-CG 4.4Å; L87-L96 HydrophobicContact CG-CD1 4.06Å; L87-L96 HydrophobicContact CG-CG 4.14Å; L87-L99 HydrophobicContact CB-CD2 4.42Å; L87-L99 HydrophobicContact CD1-CB 4.18Å; L87-L99 HydrophobicContact CD1-CD2 3.39Å; L87-L99 HydrophobicContact CD1-CG 4.43Å
88L87.4Confident87.7Confident57 Ų5773 Ų7330%0.29837%0.368SS..EExtended strand (participates in β ladder)trans-98.6123.7171.4-170.968000109.7E2 V4 Q93E2-L88 PolarHBondContact N-O 2.92Å; E2-L88 PolarHBondContact O-N 3.33Å; V4-L88 HydrophobicContact CG2-CB 4.09Å; L88-Q93 HydrophobicContact CD1-CG 4.07Å
89A85.9Confident87.8Confident6 Ų670.5 Ų70.55%0.0534%0.343CS..EExtended strand (participates in β ladder)trans-153.5126.5-175.100000111.9M1 D91 K92 W94 L99M1-A89 HydrophobicContact CE-CB 3.32Å; M1-A89 HydrophobicContact CG-CB 3.89Å; A89-D91 VanDerWaalsContact C-N 3.27Å; A89-D91 PolarHBondContact O-N 3.24Å; A89-K92 PolarHBondContact N-O 2.82Å; A89-K92 WeakPolarHBondContact O-CB 3.02Å; A89-K92 PolarHBondContact O-N 2.92Å; A89-K92 VanDerWaalsContact O-O 3.06Å; A89-W94 PolarHBondContact O-NE1 2.86Å; A89-L99 HydrophobicContact CB-CD1 4.34Å
90V85.5Confident87.8Confident75 Ų7574 Ų7446%0.45535%0.349SS..THydrogen-bonded Turntrans52.547.9178.7-158.50000111.2K92 A116 I121V90-K92 WeakPolarHBondContact O-CG 3.3Å; V90-K92 PolarHBondContact O-N 2.9Å; V90-A116 HydrophobicContact CG1-CB 4.44Å; V90-A116 HydrophobicContact CG2-CB 3.41Å; V90-A116 VanDerWaalsContact CG2-CB 3.41Å; V90-I121 HydrophobicContact CG2-CD1 3.62Å
91D84.7Confident87.7Confident160 Ų16066.6 Ų66.686%0.85632%0.318SS*.THydrogen-bonded Turntrans54.526-178.5-46.6-43.9000114.3A89A89-D91 VanDerWaalsContact C-N 3.27Å; A89-D91 PolarHBondContact O-N 3.24Å
92K87.6Confident87.7Confident113 Ų11367.5 Ų67.549%0.49133%0.325SS..EExtended strand (participates in β ladder)trans-130.2147.8178.9-67.5177.6-163.4-53.50110.9A75 A89 V90 W94A75-K92 HydrophobicContact CB-CB 3.89Å; A75-K92 HydrophobicContact CB-CD 3.94Å; A75-K92 HydrophobicContact CB-CG 4.31Å; A89-K92 PolarHBondContact N-O 2.82Å; A89-K92 WeakPolarHBondContact O-CB 3.02Å; A89-K92 PolarHBondContact O-N 2.92Å; A89-K92 VanDerWaalsContact O-O 3.06Å; V90-K92 WeakPolarHBondContact O-CG 3.3Å; V90-K92 PolarHBondContact O-N 2.9Å; K92-W94 HydrophobicContact CB-CZ2 4.4Å; K92-W94 PolarHBondContact O-NE1 2.82Å
93Q90.1Very high87.7Confident57 Ų5764.5 Ų64.527%0.26630%0.298SS..EExtended strand (participates in β ladder)trans-97142.6-179.5-60.6165.3-28.500110A72 C74 A75 I81 Y86 L88A72-Q93 VanDerWaalsContact CA-OE1 3.22Å; C74-Q93 WeakPolarHBondContact CA-O 3.14Å; A75-Q93 PolarHBondContact N-O 2.95Å; I81-Q93 HydrophobicContact CD1-CB 3.54Å; Y86-Q93 HydrophobicContact CD2-CB 4.24Å; Y86-Q93 HydrophobicContact CD2-CG 4.29Å; Y86-Q93 HydrophobicContact CE2-CB 4.35Å; Y86-Q93 HydrophobicContact CE2-CG 3.9Å; L88-Q93 HydrophobicContact CD1-CG 4.07Å
94W90.4Very high87.9Confident30 Ų3065.6 Ų65.611%0.11431%0.308CS..EExtended strand (participates in β ladder)trans-141.8137.3-176-51.677.1000110.8A75 L87 A89 K92 L99 I121A75-W94 HydrophobicContact CB-CD2 4.15Å; A75-W94 HydrophobicContact CB-CE3 4.31Å; A75-W94 HydrophobicContact CB-CH2 3.96Å; A75-W94 HydrophobicContact CB-CZ2 3.78Å; A75-W94 HydrophobicContact CB-CZ3 4.22Å; L87-W94 PolarHBondContact N-O 2.94Å; L87-W94 PolarHBondContact O-N 3.46Å; A89-W94 PolarHBondContact O-NE1 2.86Å; K92-W94 HydrophobicContact CB-CZ2 4.4Å; K92-W94 PolarHBondContact O-NE1 2.82Å; W94-L99 HydrophobicContact CB-CB 4.04Å; W94-L99 HydrophobicContact CB-CD1 4.34Å; W94-L99 HydrophobicContact CD2-CD1 3.84Å; W94-L99 HydrophobicContact CE3-CD1 4.23Å; W94-L99 HydrophobicContact CG-CB 4.42Å; W94-L99 HydrophobicContact CG-CD1 3.88Å; W94-I121 HydrophobicContact CH2-CG1 4.17Å; W94-I121 HydrophobicContact CZ2-CG1 4.11Å
95H90.2Very high87.9Confident22 Ų2263.1 Ų63.110%0.10230%0.303CS..  trans-61.5148.4159-51.2117.5000109.2C74 C77 I81 D83 R97 C98 L99C74-H95 VanDerWaalsContact CB-CE1 3.43Å; C74-H95 WeakPolarHBondContact CB-CE1 3.46Å; C74-H95 WeakPolarHBondContact CB-ND1 3.31Å; C74-H95 PolarHBondContact SG-N 3.5Å; C74-H95 PolarHBondContact SG-ND1 3.33Å; C74-H95 VanDerWaalsContact SG-ND1 3.36Å; C77-H95 VanDerWaalsContact SG-CE1 3.58Å; C77-H95 PolarHBondContact SG-ND1 3.22Å; I81-H95 WeakPolarHBondContact CA-NE2 3.46Å; D83-H95 IonicContact OD2-CD2 3.83Å; D83-H95 PolarHBondContact OD2-CD2 3.43Å; D83-H95 VanDerWaalsContact OD2-CD2 3.26Å; D83-H95 IonicContact OD2-CG 3.63Å; H95-R97 VanDerWaalsContact C-N 3.3Å; H95-R97 PolarHBondContact O-N 2.88Å; H95-C98 HydrophobicContact CB-CB 3.97Å; H95-C98 PolarHBondContact ND1-SG 3.22Å; H95-C98 VanDerWaalsContact ND1-SG 3.38Å; H95-C98 PolarHBondContact O-N 2.81Å; H95-L99 PolarHBondContact O-N 3.48Å
96L86.6Confident88.1Confident53 Ų5362.5 Ų62.528%0.27730%0.304SS..G310 helixtrans-51-49.1179-79.463.7000111.6Y85 L87 C98 L99 E109Y85-L96 VanDerWaalsContact O-CD1 3.29Å; Y85-L96 WeakPolarHBondContact O-CD1 3.47Å; L87-L96 HydrophobicContact CD1-CG 4.21Å; L87-L96 HydrophobicContact CD2-CD1 4.37Å; L87-L96 HydrophobicContact CD2-CG 4.4Å; L87-L96 HydrophobicContact CG-CD1 4.06Å; L87-L96 HydrophobicContact CG-CG 4.14Å; L96-C98 VanDerWaalsContact C-N 3.32Å; L96-C98 PolarHBondContact O-N 3.29Å; L96-L99 PolarHBondContact O-N 2.96Å; L96-E109 HydrophobicContact CB-CB 4.46Å
97R86.8Confident88Confident164 Ų16464.7 Ų64.762%0.61932%0.316SS*.G310 helixtrans-72.8-14.9177.8-61-177.1-63.4-80.9-4.6114.9H95 H107H95-R97 VanDerWaalsContact C-N 3.3Å; H95-R97 PolarHBondContact O-N 2.88Å; R97-H107 PolarHBondContact O-CD2 3.27Å
98C88.8Confident87.9Confident25 Ų2564.4 Ų64.417%0.16931%0.314CS..G310 helixtrans-90.1-21.3178.4-700000112.6C74 C77 H95 L96 K100C74-C98 WeakPolarHBondContact SG-CB 3.42Å; C77-C98 VanDerWaalsContact SG-SG 3.64Å; H95-C98 HydrophobicContact CB-CB 3.97Å; H95-C98 PolarHBondContact ND1-SG 3.22Å; H95-C98 VanDerWaalsContact ND1-SG 3.38Å; H95-C98 PolarHBondContact O-N 2.81Å; L96-C98 VanDerWaalsContact C-N 3.32Å; L96-C98 PolarHBondContact O-N 3.29Å; C98-K100 PolarHBondContact O-N 3.27Å
99L88.3Confident87.3Confident0 Ų066.5 Ų66.50%032%0.322CS..  trans-80.1103.5174.6-177.381.4000110.3M1 L87 A89 W94 H95 L96 L108 I121M1-L99 HydrophobicContact CE-CD1 3.44Å; M1-L99 VanDerWaalsContact CE-CD1 3.44Å; M1-L99 HydrophobicContact CE-CD2 3.22Å; M1-L99 HydrophobicContact CE-CG 3.85Å; M1-L99 HydrophobicContact SD-CD2 3.84Å; L87-L99 HydrophobicContact CB-CD2 4.42Å; L87-L99 HydrophobicContact CD1-CB 4.18Å; L87-L99 HydrophobicContact CD1-CD2 3.39Å; L87-L99 HydrophobicContact CD1-CG 4.43Å; A89-L99 HydrophobicContact CB-CD1 4.34Å; W94-L99 HydrophobicContact CB-CB 4.04Å; W94-L99 HydrophobicContact CB-CD1 4.34Å; W94-L99 HydrophobicContact CD2-CD1 3.84Å; W94-L99 HydrophobicContact CE3-CD1 4.23Å; W94-L99 HydrophobicContact CG-CB 4.42Å; W94-L99 HydrophobicContact CG-CD1 3.88Å; H95-L99 PolarHBondContact O-N 3.48Å; L96-L99 PolarHBondContact O-N 2.96Å; L99-L108 HydrophobicContact CD2-CB 3.75Å; L99-L108 HydrophobicContact CG-CB 4.04Å; L99-L108 PolarHBondContact O-N 3.44Å; L99-I121 HydrophobicContact CD1-CG2 4.44Å
100K90.1Very high86.5Confident103 Ų10370.9 Ų70.945%0.44835%0.353SS..BIsolated β-bridgetrans-138.9152.3-178.359.5-168.4171.4-169.90112C98 C102 K105 Q106C98-K100 PolarHBondContact O-N 3.27Å; K100-C102 PolarHBondContact O-N 2.9Å; K100-K105 WeakPolarHBondContact CB-O 3.2Å; K100-Q106 VanDerWaalsContact CA-O 3.25Å; K100-Q106 WeakPolarHBondContact CA-O 3.3Å; K100-Q106 WeakPolarHBondContact CB-O 3.16Å
101C90.6Very high85.6Confident0 Ų071 Ų710%035%0.348CS..  trans-61.1134.7172.5-179.60000110.6E103 C104 K105 Q106 L108 C123 D126C101-E103 PolarHBondContact O-N 3.48Å; C101-E103 PolarHBondContact SG-N 2.88Å; C101-C104 VanDerWaalsContact CB-SG 3.52Å; C101-K105 WeakPolarHBondContact O-CA 3.37Å; C101-K105 PolarHBondContact O-N 2.87Å; C101-K105 VanDerWaalsContact O-N 3.15Å; C101-Q106 PolarHBondContact N-O 2.79Å; C101-L108 HydrophobicContact CB-CD2 4.34Å; C101-C123 HydrophobicContact CB-CB 4.1Å; C101-C123 PolarHBondContact SG-N 3.02Å; C101-D126 PolarHBondContact SG-OD2 3.38Å; C101-D126 VanDerWaalsContact SG-OD2 3.32Å
102C89.5Confident84.8Confident37 Ų3768.6 Ų68.625%0.2534%0.335CS..THydrogen-bonded Turntrans-66.9-18.9176.463.80000113.4K100 K105 I121 Y122K100-C102 PolarHBondContact O-N 2.9Å; C102-K105 PolarHBondContact O-NZ 3.31Å; C102-I121 PolarHBondContact N-O 3.22Å; C102-I121 PolarHBondContact SG-O 2.9Å; C102-Y122 WeakPolarHBondContact SG-CE1 3.11Å
103E87.6Confident84.2Confident52 Ų5267.2 Ų67.224%0.24334%0.336CS..THydrogen-bonded Turntrans-93.6-84.7177.2-53-61.4173.500111C101 K105 Y122 D126 R130C101-E103 PolarHBondContact O-N 3.48Å; C101-E103 PolarHBondContact SG-N 2.88Å; E103-K105 WeakPolarHBondContact O-CD 3.38Å; E103-K105 PolarHBondContact O-N 2.9Å; E103-Y122 HydrophobicContact CG-CD1 3.84Å; E103-Y122 HydrophobicContact CG-CE1 3.65Å; E103-Y122 WeakPolarHBondContact OE1-CE1 3.33Å; E103-D126 HydrophobicContact CB-CB 4.13Å; E103-D126 WeakPolarHBondContact CB-OD2 3.21Å; E103-D126 HydrophobicContact CG-CB 4.23Å; E103-R130 IonicContact OE1-CZ 2.59Å; E103-R130 IonicContact OE1-NE 3.76Å; E103-R130 PolarHBondContact OE1-NE 3.38Å; E103-R130 IonicContact OE1-NH1 2.94Å; E103-R130 PolarHBondContact OE1-NH1 3Å; E103-R130 IonicContact OE1-NH2 3.33Å; E103-R130 IonicContact OE2-CZ 3.98Å; E103-R130 IonicContact OE2-NE 2.76Å; E103-R130 IonicContact OE2-NH1 2.93Å; E103-R130 PolarHBondContact OE2-NH1 3.32Å; E103-R130 VanDerWaalsContact OE2-NH1 3.08Å; E103-R130 IonicContact OE2-NH2 3.86Å; E103-R130 PolarHBondContact OE2-NH2 3.49Å
104C88.4Confident84Confident68 Ų6865.9 Ų65.946%0.45933%0.333SS..THydrogen-bonded Turntrans-65.9-5.4-177.563.90000116C101 Q106 D126C101-C104 VanDerWaalsContact CB-SG 3.52Å; C104-Q106 PolarHBondContact O-N 2.93Å; C104-Q106 VanDerWaalsContact SG-CB 3.58Å; C104-D126 VanDerWaalsContact CB-OD2 3.26Å; C104-D126 WeakPolarHBondContact CB-OD2 3.46Å; C104-D126 PolarHBondContact N-OD2 3.21Å; C104-D126 PolarHBondContact SG-OD2 3.16Å
105K87.8Confident83.8Confident131 Ų13166.9 Ų66.957%0.5734%0.338SS*.  trans58.74.5-177-44.1-53.1-177.5-173.90115.9K100 C101 C102 E103K100-K105 WeakPolarHBondContact CB-O 3.2Å; C101-K105 WeakPolarHBondContact O-CA 3.37Å; C101-K105 PolarHBondContact O-N 2.87Å; C101-K105 VanDerWaalsContact O-N 3.15Å; C102-K105 PolarHBondContact O-NZ 3.31Å; E103-K105 WeakPolarHBondContact O-CD 3.38Å; E103-K105 PolarHBondContact O-N 2.9Å
106Q87.4Confident83.8Confident117 Ų11768 Ų6855%0.54735%0.35SS..  trans-58.9135.9176.2-172.56047.800111.3K100 C101 C104K100-Q106 VanDerWaalsContact CA-O 3.25Å; K100-Q106 WeakPolarHBondContact CA-O 3.3Å; K100-Q106 WeakPolarHBondContact CB-O 3.16Å; C101-Q106 PolarHBondContact N-O 2.79Å; C104-Q106 PolarHBondContact O-N 2.93Å; C104-Q106 VanDerWaalsContact SG-CB 3.58Å
107H87.4Confident83.7Confident77 Ų7768.8 Ų68.836%0.35635%0.352SS..BIsolated β-bridgetrans-64.6133.8172.3-55.1113.4000110.4R97 E109R97-H107 PolarHBondContact O-CD2 3.27Å; H107-E109 HydrophobicContact CB-CG 4.35Å
108L83.8Confident83.6Confident6 Ų667.3 Ų67.33%0.03136%0.356CS..  trans-99.420.5-175.4-56.8177.4000112.9L99 C101 S110 C114 I121 C123L99-L108 HydrophobicContact CD2-CB 3.75Å; L99-L108 HydrophobicContact CG-CB 4.04Å; L99-L108 PolarHBondContact O-N 3.44Å; C101-L108 HydrophobicContact CB-CD2 4.34Å; L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 3.13Å; L108-C114 HydrophobicContact CD1-CB 3.93Å; L108-I121 HydrophobicContact CD1-CG2 3.62Å; L108-C123 HydrophobicContact CD2-CB 3.58Å
109E75.7Confident83.3Confident100 Ų10069.9 Ų69.947%0.46739%0.387SS..SBendtrans-69.9-24.2177.963.9-171.3177.400113.3L96 H107L96-E109 HydrophobicContact CB-CB 4.46Å; H107-E109 HydrophobicContact CB-CG 4.35Å
110S68.9Low83.3Confident98 Ų9872 Ų7269%0.68540%0.402SS*.SBendtrans-90.5-22.1-178.1550000114.6L108L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 3.13Å
111E67.8Low83.3Confident78 Ų7867.7 Ų67.736%0.36438%0.383SS..  trans-111.2102.8172.4-69.4-163.6145.200109.4T113E111-T113 PolarHBondContact O-N 2.93Å
112L66.8Low83.2Confident109 Ų10968.6 Ų68.657%0.57139%0.387SS*.SBendtrans-61.22.3179.6-67.8129000114.7M1 V3M1-L112 PolarHBondContact N-O 3.01Å; V3-L112 HydrophobicContact CG2-CD2 4.34Å
113T75.4Confident83.1Confident85 Ų8567.5 Ų67.552%0.52138%0.38SS..  trans-125.877.4-178.147.90000111.7E111E111-T113 PolarHBondContact O-N 2.93Å
114C84.6Confident83Confident28 Ų2870 Ų7019%0.18939%0.39CS..  trans-67.3164.616181.50000111.6M1 L108 I121M1-C114 HydrophobicContact CE-CB 3.46Å; M1-C114 VanDerWaalsContact CE-CB 3.46Å; M1-C114 WeakPolarHBondContact CE-SG 3.48Å; M1-C114 HydrophobicContact SD-CB 3.84Å; L108-C114 HydrophobicContact CD1-CB 3.93Å; C114-I121 HydrophobicContact CB-CG2 3.83Å
115F87.5Confident82.8Confident52 Ų5271.3 Ų71.323%0.22839%0.389CS..EExtended strand (participates in β ladder)trans-118.6145.1166.3-64.5-98000109.6Y122 K124 Y127 Y128F115-Y122 PolarHBondContact N-O 2.85Å; F115-Y122 PolarHBondContact O-N 2.67Å; F115-K124 HydrophobicContact CD2-CB 4.31Å; F115-K124 HydrophobicContact CE2-CB 3.89Å; F115-K124 HydrophobicContact CE2-CG 3.96Å; F115-Y127 HydrophobicContact CB-CD1 3.71Å; F115-Y127 HydrophobicContact CB-CD2 3.36Å; F115-Y127 HydrophobicContact CB-CE1 4.16Å; F115-Y127 HydrophobicContact CB-CE2 3.84Å; F115-Y127 HydrophobicContact CB-CG 3.29Å; F115-Y127 AromaticContact CD1-CD1 3.62Å; F115-Y127 HydrophobicContact CD1-CD1 3.62Å; F115-Y127 AromaticContact CD1-CE1 3.71Å; F115-Y127 HydrophobicContact CD1-CE1 3.71Å; F115-Y127 HydrophobicContact CD1-CG 4.14Å; F115-Y127 HydrophobicContact CD2-CD1 4.42Å; F115-Y127 HydrophobicContact CD2-CG 4.42Å; F115-Y127 HydrophobicContact CE1-CD1 4.4Å; F115-Y127 AromaticContact CG-CD1 3.64Å; F115-Y127 HydrophobicContact CG-CD1 3.64Å; F115-Y127 HydrophobicContact CG-CD2 4.23Å; F115-Y127 HydrophobicContact CG-CE1 4.14Å; F115-Y127 AromaticContact CG-CG 3.7Å; F115-Y127 HydrophobicContact CG-CG 3.7Å; F115-Y128 HydrophobicContact CE1-CE2 4.39Å; F115-Y128 HydrophobicContact CE2-CE2 4.42Å; F115-Y128 HydrophobicContact CZ-CE2 4.06Å
116A89.1Confident82.7Confident44 Ų4466 Ų6636%0.36437%0.367SS..EExtended strand (participates in β ladder)trans-128.9135.4-176.200000110.7V90 S120 I121V90-A116 HydrophobicContact CG1-CB 4.44Å; V90-A116 HydrophobicContact CG2-CB 3.41Å; V90-A116 VanDerWaalsContact CG2-CB 3.41Å; A116-S120 WeakPolarHBondContact CA-O 3.3Å; A116-I121 HydrophobicContact CB-CD1 3.83Å
117K86Confident82.7Confident70 Ų7063.1 Ų63.130%0.30435%0.352SS..EExtended strand (participates in β ladder)trans-153.3136.7178.5-177.4173.7-177.6-60.60109.8G119 S120 Y122 Y127 F131K117-G119 PolarHBondContact O-N 2.82Å; K117-G119 VanDerWaalsContact O-N 3.14Å; K117-S120 PolarHBondContact N-O 3.49Å; K117-S120 WeakPolarHBondContact O-CA 3.46Å; K117-S120 PolarHBondContact O-N 2.93Å; K117-Y122 HydrophobicContact CB-CE2 4.33Å; K117-Y127 HydrophobicContact CB-CE2 4.08Å; K117-Y127 HydrophobicContact CD-CE2 4.49Å; K117-F131 HydrophobicContact CD-CB 4.5Å; K117-F131 HydrophobicContact CD-CD1 3.7Å; K117-F131 HydrophobicContact CD-CD2 4Å; K117-F131 HydrophobicContact CD-CE1 3.82Å; K117-F131 HydrophobicContact CD-CE2 4.1Å; K117-F131 HydrophobicContact CD-CG 3.79Å; K117-F131 HydrophobicContact CD-CZ 4.01Å
118D84.6Confident82.4Confident133 Ų13363.7 Ų63.771%0.71135%0.351SS*.THydrogen-bonded Turntrans5040178.2-43.8-25.1000113S120D118-S120 PolarHBondContact O-N 3.48Å
119G82.3Confident82.2Confident79 Ų7969.3 Ų69.381%0.81437%0.372SS*.THydrogen-bonded Turntrans76.5-8.9-176.700000115.9K117K117-G119 PolarHBondContact O-N 2.82Å; K117-G119 VanDerWaalsContact O-N 3.14Å
120S88.4Confident82.3Confident45 Ų4571.2 Ų71.232%0.31538%0.375SS..EExtended strand (participates in β ladder)trans-95143.4-179.5-650000112.4A116 K117 D118 Y122A116-S120 WeakPolarHBondContact CA-O 3.3Å; K117-S120 PolarHBondContact N-O 3.49Å; K117-S120 WeakPolarHBondContact O-CA 3.46Å; K117-S120 PolarHBondContact O-N 2.93Å; D118-S120 PolarHBondContact O-N 3.48Å; S120-Y122 WeakPolarHBondContact O-CD2 3.42Å; S120-Y122 WeakPolarHBondContact O-CE2 3.39Å
121I88.8Confident82.9Confident12 Ų1269.4 Ų69.46%0.06236%0.355CS..EExtended strand (participates in β ladder)trans-101.4134.7179.5-50.7-59.3000110.4V90 W94 L99 C102 L108 C114 A116V90-I121 HydrophobicContact CG2-CD1 3.62Å; W94-I121 HydrophobicContact CH2-CG1 4.17Å; W94-I121 HydrophobicContact CZ2-CG1 4.11Å; L99-I121 HydrophobicContact CD1-CG2 4.44Å; C102-I121 PolarHBondContact N-O 3.22Å; C102-I121 PolarHBondContact SG-O 2.9Å; L108-I121 HydrophobicContact CD1-CG2 3.62Å; C114-I121 HydrophobicContact CB-CG2 3.83Å; A116-I121 HydrophobicContact CB-CD1 3.83Å
122Y88.6Confident83.5Confident20 Ų2066.5 Ų66.58%0.07834%0.343CS..EExtended strand (participates in β ladder)trans-124.7146.9-177-62.9-92.5000110.9C102 E103 F115 K117 S120 D126 Y127 F131C102-Y122 WeakPolarHBondContact SG-CE1 3.11Å; E103-Y122 HydrophobicContact CG-CD1 3.84Å; E103-Y122 HydrophobicContact CG-CE1 3.65Å; E103-Y122 WeakPolarHBondContact OE1-CE1 3.33Å; F115-Y122 PolarHBondContact N-O 2.85Å; F115-Y122 PolarHBondContact O-N 2.67Å; K117-Y122 HydrophobicContact CB-CE2 4.33Å; S120-Y122 WeakPolarHBondContact O-CD2 3.42Å; S120-Y122 WeakPolarHBondContact O-CE2 3.39Å; Y122-D126 HydrophobicContact CD1-CB 4.44Å; Y122-Y127 HydrophobicContact CD2-CD2 4.22Å; Y122-Y127 HydrophobicContact CG-CD2 4.27Å; Y122-F131 AromaticContact CD1-CE2 3.99Å; Y122-F131 HydrophobicContact CD1-CE2 3.99Å; Y122-F131 AromaticContact CD2-CE2 3.99Å; Y122-F131 HydrophobicContact CD2-CE2 3.99Å; Y122-F131 AromaticContact CE1-CE2 3.64Å; Y122-F131 HydrophobicContact CE1-CE2 3.64Å; Y122-F131 HydrophobicContact CE1-CZ 4.01Å; Y122-F131 AromaticContact CE2-CE2 3.64Å; Y122-F131 HydrophobicContact CE2-CE2 3.64Å; Y122-F131 HydrophobicContact CE2-CZ 4.05Å; Y122-F131 HydrophobicContact CG-CE2 4.18Å; Y122-F131 AromaticContact CZ-CE2 3.49Å; Y122-F131 VanDerWaalsContact CZ-CE2 3.49Å; Y122-F131 AromaticContact CZ-CZ 3.63Å
123C88.5Confident83.8Confident14 Ų1467.7 Ų67.710%0.09536%0.355CS..  trans-69.4164160.973.50000109.4C101 L108 E125 D126 Y127C101-C123 HydrophobicContact CB-CB 4.1Å; C101-C123 PolarHBondContact SG-N 3.02Å; L108-C123 HydrophobicContact CD2-CB 3.58Å; C123-E125 VanDerWaalsContact C-N 3.33Å; C123-E125 PolarHBondContact O-N 3.46Å; C123-D126 PolarHBondContact SG-N 2.89Å; C123-D126 PolarHBondContact SG-OD2 2.8Å; C123-D126 VanDerWaalsContact SG-OD2 3.41Å; C123-Y127 VanDerWaalsContact O-CB 3.25Å; C123-Y127 WeakPolarHBondContact O-CB 3.34Å; C123-Y127 PolarHBondContact O-N 2.61Å
124K84.4Confident84Confident103 Ų10367.5 Ų67.545%0.44835%0.348SS..Hα-helixtrans-52.4-49.9176.9-177.8179.4173.7-173.50112.2F115 Y127 Y128F115-K124 HydrophobicContact CD2-CB 4.31Å; F115-K124 HydrophobicContact CE2-CB 3.89Å; F115-K124 HydrophobicContact CE2-CG 3.96Å; K124-Y127 PolarHBondContact O-N 2.88Å; K124-Y128 HydrophobicContact CG-CD2 4.14Å; K124-Y128 HydrophobicContact CG-CE2 4.1Å; K124-Y128 WeakPolarHBondContact O-CD2 3.49Å; K124-Y128 PolarHBondContact O-N 2.87Å; K124-Y128 VanDerWaalsContact O-N 3.13Å
125E84.3Confident84.2Confident97 Ų9771.6 Ų71.645%0.45336%0.359SS..Hα-helixtrans-62-54.9-177.817754.8-151.300112.4C123 Y127 Y128 R129C123-E125 VanDerWaalsContact C-N 3.33Å; C123-E125 PolarHBondContact O-N 3.46Å; E125-Y127 VanDerWaalsContact C-N 3.29Å; E125-Y127 PolarHBondContact O-N 3.03Å; E125-Y128 PolarHBondContact O-N 2.76Å; E125-R129 WeakPolarHBondContact O-CB 3.46Å; E125-R129 PolarHBondContact O-N 3.08Å; E125-R129 IonicContact OE1-CZ 3.6Å; E125-R129 VanDerWaalsContact OE1-CZ 3.23Å; E125-R129 IonicContact OE1-NE 3.26Å; E125-R129 PolarHBondContact OE1-NE 3.42Å; E125-R129 IonicContact OE1-NH2 3.84Å; E125-R129 PolarHBondContact OE1-NH2 3.01Å
126D85.9Confident84.4Confident20 Ų2069.1 Ų69.111%0.10735%0.348CS..Hα-helixtrans-63.5-34.9-179.1-76.2-40.3000112.3C101 E103 C104 Y122 C123 R129 R130C101-D126 PolarHBondContact SG-OD2 3.38Å; C101-D126 VanDerWaalsContact SG-OD2 3.32Å; E103-D126 HydrophobicContact CB-CB 4.13Å; E103-D126 WeakPolarHBondContact CB-OD2 3.21Å; E103-D126 HydrophobicContact CG-CB 4.23Å; C104-D126 VanDerWaalsContact CB-OD2 3.26Å; C104-D126 WeakPolarHBondContact CB-OD2 3.46Å; C104-D126 PolarHBondContact N-OD2 3.21Å; C104-D126 PolarHBondContact SG-OD2 3.16Å; Y122-D126 HydrophobicContact CD1-CB 4.44Å; C123-D126 PolarHBondContact SG-N 2.89Å; C123-D126 PolarHBondContact SG-OD2 2.8Å; C123-D126 VanDerWaalsContact SG-OD2 3.41Å; D126-R129 PolarHBondContact O-N 3.3Å; D126-R130 WeakPolarHBondContact O-CB 3.42Å; D126-R130 PolarHBondContact O-N 2.68Å
127Y87Confident84.5Confident56 Ų5668.6 Ų68.622%0.2234%0.344CS..Hα-helixtrans-61.7-51.7175.7-174.2-99.9000111.7F115 K117 Y122 C123 K124 E125 R129 R130 F131F115-Y127 HydrophobicContact CB-CD1 3.71Å; F115-Y127 HydrophobicContact CB-CD2 3.36Å; F115-Y127 HydrophobicContact CB-CE1 4.16Å; F115-Y127 HydrophobicContact CB-CE2 3.84Å; F115-Y127 HydrophobicContact CB-CG 3.29Å; F115-Y127 AromaticContact CD1-CD1 3.62Å; F115-Y127 HydrophobicContact CD1-CD1 3.62Å; F115-Y127 AromaticContact CD1-CE1 3.71Å; F115-Y127 HydrophobicContact CD1-CE1 3.71Å; F115-Y127 HydrophobicContact CD1-CG 4.14Å; F115-Y127 HydrophobicContact CD2-CD1 4.42Å; F115-Y127 HydrophobicContact CD2-CG 4.42Å; F115-Y127 HydrophobicContact CE1-CD1 4.4Å; F115-Y127 AromaticContact CG-CD1 3.64Å; F115-Y127 HydrophobicContact CG-CD1 3.64Å; F115-Y127 HydrophobicContact CG-CD2 4.23Å; F115-Y127 HydrophobicContact CG-CE1 4.14Å; F115-Y127 AromaticContact CG-CG 3.7Å; F115-Y127 HydrophobicContact CG-CG 3.7Å; K117-Y127 HydrophobicContact CB-CE2 4.08Å; K117-Y127 HydrophobicContact CD-CE2 4.49Å; Y122-Y127 HydrophobicContact CD2-CD2 4.22Å; Y122-Y127 HydrophobicContact CG-CD2 4.27Å; C123-Y127 VanDerWaalsContact O-CB 3.25Å; C123-Y127 WeakPolarHBondContact O-CB 3.34Å; C123-Y127 PolarHBondContact O-N 2.61Å; K124-Y127 PolarHBondContact O-N 2.88Å; E125-Y127 VanDerWaalsContact C-N 3.29Å; E125-Y127 PolarHBondContact O-N 3.03Å; Y127-R129 VanDerWaalsContact C-N 3.34Å; Y127-R130 PolarHBondContact O-N 2.83Å; Y127-F131 AromaticContact CD2-CD2 3.52Å; Y127-F131 HydrophobicContact CD2-CD2 3.52Å; Y127-F131 HydrophobicContact CD2-CE2 4.1Å; Y127-F131 HydrophobicContact CE2-CB 4.46Å; Y127-F131 AromaticContact CE2-CD2 3.71Å; Y127-F131 HydrophobicContact CE2-CD2 3.71Å; Y127-F131 HydrophobicContact CE2-CE2 4.4Å; Y127-F131 HydrophobicContact CE2-CG 4.41Å; Y127-F131 HydrophobicContact CG-CD2 4.2Å; Y127-F131 WeakPolarHBondContact O-CA 3.47Å; Y127-F131 WeakPolarHBondContact O-CB 3.46Å; Y127-F131 WeakPolarHBondContact O-CD2 3.49Å; Y127-F131 PolarHBondContact O-N 3.12Å
128Y82.1Confident84.7Confident88 Ų8868.9 Ų68.935%0.34534%0.343SS..Hα-helixtrans-68.1-34.7176-74.3-69.5000111.6F115 K124 E125 R130 S132F115-Y128 HydrophobicContact CE1-CE2 4.39Å; F115-Y128 HydrophobicContact CE2-CE2 4.42Å; F115-Y128 HydrophobicContact CZ-CE2 4.06Å; K124-Y128 HydrophobicContact CG-CD2 4.14Å; K124-Y128 HydrophobicContact CG-CE2 4.1Å; K124-Y128 WeakPolarHBondContact O-CD2 3.49Å; K124-Y128 PolarHBondContact O-N 2.87Å; K124-Y128 VanDerWaalsContact O-N 3.13Å; E125-Y128 PolarHBondContact O-N 2.76Å; Y128-R130 VanDerWaalsContact C-N 3.34Å; Y128-R130 PolarHBondContact O-N 2.86Å; Y128-S132 WeakPolarHBondContact O-CB 3.44Å; Y128-S132 PolarHBondContact O-N 3.41Å; Y128-S132 VanDerWaalsContact O-N 3.08Å; Y128-S132 PolarHBondContact O-OG 2.94Å
129R79.9Confident85Confident124 Ų12464.6 Ų64.647%0.46832%0.324SS..Hα-helixtrans-64.6-32.4177.9-174.5177.1-69.8-146.4-1.3113.5E125 D126 Y127 R135E125-R129 WeakPolarHBondContact O-CB 3.46Å; E125-R129 PolarHBondContact O-N 3.08Å; E125-R129 IonicContact OE1-CZ 3.6Å; E125-R129 VanDerWaalsContact OE1-CZ 3.23Å; E125-R129 IonicContact OE1-NE 3.26Å; E125-R129 PolarHBondContact OE1-NE 3.42Å; E125-R129 IonicContact OE1-NH2 3.84Å; E125-R129 PolarHBondContact OE1-NH2 3.01Å; D126-R129 PolarHBondContact O-N 3.3Å; Y127-R129 VanDerWaalsContact C-N 3.34Å; R129-R135 PolarHBondContact O-NH1 2.86Å; R129-R135 PolarHBondContact O-NH2 3.14Å
130R78.1Confident85.3Confident141 Ų14166.7 Ų66.753%0.53231%0.312SS..Hα-helixtrans-98.3-37.3178.8-68.1-167.5172.7-148.6-1.7114.5E103 D126 Y127 Y128E103-R130 IonicContact OE1-CZ 2.59Å; E103-R130 IonicContact OE1-NE 3.76Å; E103-R130 PolarHBondContact OE1-NE 3.38Å; E103-R130 IonicContact OE1-NH1 2.94Å; E103-R130 PolarHBondContact OE1-NH1 3Å; E103-R130 IonicContact OE1-NH2 3.33Å; E103-R130 IonicContact OE2-CZ 3.98Å; E103-R130 IonicContact OE2-NE 2.76Å; E103-R130 IonicContact OE2-NH1 2.93Å; E103-R130 PolarHBondContact OE2-NH1 3.32Å; E103-R130 VanDerWaalsContact OE2-NH1 3.08Å; E103-R130 IonicContact OE2-NH2 3.86Å; E103-R130 PolarHBondContact OE2-NH2 3.49Å; D126-R130 WeakPolarHBondContact O-CB 3.42Å; D126-R130 PolarHBondContact O-N 2.68Å; Y127-R130 PolarHBondContact O-N 2.83Å; Y128-R130 VanDerWaalsContact C-N 3.34Å; Y128-R130 PolarHBondContact O-N 2.86Å
131F81.6Confident85.2Confident59 Ų5969 Ų6926%0.25932%0.32SS..Hα-helixtrans-11611.4-170.7-48.5-64.1000114.7K117 Y122 Y127 V133K117-F131 HydrophobicContact CD-CB 4.5Å; K117-F131 HydrophobicContact CD-CD1 3.7Å; K117-F131 HydrophobicContact CD-CD2 4Å; K117-F131 HydrophobicContact CD-CE1 3.82Å; K117-F131 HydrophobicContact CD-CE2 4.1Å; K117-F131 HydrophobicContact CD-CG 3.79Å; K117-F131 HydrophobicContact CD-CZ 4.01Å; Y122-F131 AromaticContact CD1-CE2 3.99Å; Y122-F131 HydrophobicContact CD1-CE2 3.99Å; Y122-F131 AromaticContact CD2-CE2 3.99Å; Y122-F131 HydrophobicContact CD2-CE2 3.99Å; Y122-F131 AromaticContact CE1-CE2 3.64Å; Y122-F131 HydrophobicContact CE1-CE2 3.64Å; Y122-F131 HydrophobicContact CE1-CZ 4.01Å; Y122-F131 AromaticContact CE2-CE2 3.64Å; Y122-F131 HydrophobicContact CE2-CE2 3.64Å; Y122-F131 HydrophobicContact CE2-CZ 4.05Å; Y122-F131 HydrophobicContact CG-CE2 4.18Å; Y122-F131 AromaticContact CZ-CE2 3.49Å; Y122-F131 VanDerWaalsContact CZ-CE2 3.49Å; Y122-F131 AromaticContact CZ-CZ 3.63Å; Y127-F131 AromaticContact CD2-CD2 3.52Å; Y127-F131 HydrophobicContact CD2-CD2 3.52Å; Y127-F131 HydrophobicContact CD2-CE2 4.1Å; Y127-F131 HydrophobicContact CE2-CB 4.46Å; Y127-F131 AromaticContact CE2-CD2 3.71Å; Y127-F131 HydrophobicContact CE2-CD2 3.71Å; Y127-F131 HydrophobicContact CE2-CE2 4.4Å; Y127-F131 HydrophobicContact CE2-CG 4.41Å; Y127-F131 HydrophobicContact CG-CD2 4.2Å; Y127-F131 WeakPolarHBondContact O-CA 3.47Å; Y127-F131 WeakPolarHBondContact O-CB 3.46Å; Y127-F131 WeakPolarHBondContact O-CD2 3.49Å; Y127-F131 PolarHBondContact O-N 3.12Å; F131-V133 PolarHBondContact O-N 3.31Å
132S78.6Confident85Confident18 Ų1869.4 Ų69.413%0.12633%0.328CS..  trans-61.1120.1165.247.20000110.7Y128 Q134 G142Y128-S132 WeakPolarHBondContact O-CB 3.44Å; Y128-S132 PolarHBondContact O-N 3.41Å; Y128-S132 VanDerWaalsContact O-N 3.08Å; Y128-S132 PolarHBondContact O-OG 2.94Å; S132-Q134 PolarHBondContact O-N 2.93Å; S132-Q134 VanDerWaalsContact O-N 3.16Å; S132-G142 WeakPolarHBondContact OG-CA 3.24Å
133V73.3Confident85Confident134 Ų13469.3 Ų69.381%0.81233%0.328SS*.SBendtrans-66.1-15.1178.3-173.30000111.9F131F131-V133 PolarHBondContact O-N 3.31Å
134Q80.6Confident84.7Confident80 Ų8070.7 Ų70.737%0.37434%0.338SS..  trans-136.1124.6-178.4-60.5-73.6-85.300109.5S132 I143 V156S132-Q134 PolarHBondContact O-N 2.93Å; S132-Q134 VanDerWaalsContact O-N 3.16Å; Q134-I143 PolarHBondContact O-N 3.14Å; Q134-V156 VanDerWaalsContact OE1-CG2 3.29Å
135R88.9Confident84.5Confident114 Ų11470.9 Ų70.943%0.4336%0.359SS..BIsolated β-bridgetrans-113.3147.7176.6-52.2-177.37998.13.8109.2R129 A137 H140 L141R129-R135 PolarHBondContact O-NH1 2.86Å; R129-R135 PolarHBondContact O-NH2 3.14Å; R135-A137 PolarHBondContact O-N 3.22Å; R135-H140 VanDerWaalsContact CZ-O 3.25Å; R135-H140 PolarHBondContact NE-O 3.08Å; R135-H140 PolarHBondContact NH2-O 2.82Å; R135-L141 CarbonylContact C-O 3.56Å; R135-L141 WeakPolarHBondContact CA-O 3.44Å
136C91.1Very high84.4Confident0 Ų071 Ų710%037%0.371CS..  trans-68.1123.3176.1176.80000110.4R138 C139 H140 L141 I143 V156 H158 C161C136-R138 PolarHBondContact O-N 3.46Å; C136-R138 VanDerWaalsContact O-N 3.13Å; C136-C139 PolarHBondContact O-N 2.94Å; C136-H140 WeakPolarHBondContact O-CA 3.48Å; C136-H140 PolarHBondContact O-N 3.37Å; C136-L141 PolarHBondContact N-O 2.83Å; C136-I143 HydrophobicContact CB-CD1 4.28Å; C136-I143 HydrophobicContact CB-CG1 4.25Å; C136-V156 CarbonylContact C-O 3.57Å; C136-V156 WeakPolarHBondContact CA-O 3.46Å; C136-H158 VanDerWaalsContact CB-CE1 3.42Å; C136-H158 WeakPolarHBondContact CB-CE1 3.37Å; C136-C161 WeakPolarHBondContact SG-CB 3.25Å
137A91.5Very high84.5Confident34 Ų3473.8 Ų73.828%0.28138%0.383SS..THydrogen-bonded Turntrans-68.2-11.7-177.100000114.4R135 H140 V156 Y157R135-A137 PolarHBondContact O-N 3.22Å; A137-H140 PolarHBondContact O-CE1 3.13Å; A137-H140 VanDerWaalsContact O-CE1 3.31Å; A137-V156 PolarHBondContact N-O 3.43Å; A137-Y157 HydrophobicContact CB-CD1 4.29Å; A137-Y157 HydrophobicContact CB-CE1 3.7Å; A137-Y157 HydrophobicContact CB-CE2 4.48Å
138R90.6Very high84.6Confident75 Ų7577.6 Ų77.628%0.28340%0.404SS..THydrogen-bonded Turntrans-92.1-36.1177.8-172.875.1168.7168.6-0.1114.2C136 Y157 C161 T163 T165 N168C136-R138 PolarHBondContact O-N 3.46Å; C136-R138 VanDerWaalsContact O-N 3.13Å; R138-Y157 HydrophobicContact CB-CD1 4.04Å; R138-Y157 HydrophobicContact CB-CE1 4.42Å; R138-C161 HydrophobicContact CB-CB 3.87Å; R138-C161 HydrophobicContact CG-CB 4.12Å; R138-C161 WeakPolarHBondContact CG-O 3.18Å; R138-T163 PolarHBondContact NE-OG1 2.71Å; R138-T165 PolarHBondContact NH1-OG1 3.46Å; R138-N168 PolarHBondContact NH2-OD1 3.39Å
139C90.8Very high85.1Confident44 Ų4475.7 Ų75.730%0.29740%0.402SS..THydrogen-bonded Turntrans-128.4-5.7-172.666.10000114.2C136 L141 H158 C161C136-C139 PolarHBondContact O-N 2.94Å; C139-L141 HydrophobicContact CB-CD1 3.93Å; C139-L141 PolarHBondContact O-N 3.31Å; C139-H158 VanDerWaalsContact SG-CE1 3.54Å; C139-C161 VanDerWaalsContact SG-SG 3.63Å
140H87.3Confident85.8Confident123 Ų12371.2 Ų71.257%0.56939%0.387SS*.  trans60.59.1175.4-43.3-60000116.4R135 C136 A137R135-H140 VanDerWaalsContact CZ-O 3.25Å; R135-H140 PolarHBondContact NE-O 3.08Å; R135-H140 PolarHBondContact NH2-O 2.82Å; C136-H140 WeakPolarHBondContact O-CA 3.48Å; C136-H140 PolarHBondContact O-N 3.37Å; A137-H140 PolarHBondContact O-CE1 3.13Å; A137-H140 VanDerWaalsContact O-CE1 3.31Å
141L86.9Confident86.5Confident92 Ų9271.9 Ų71.948%0.48239%0.389SS..PPolyproline II helixtrans-67.9153.4162.7-71.1100.1000110.9R135 C136 C139R135-L141 CarbonylContact C-O 3.56Å; R135-L141 WeakPolarHBondContact CA-O 3.44Å; C136-L141 PolarHBondContact N-O 2.83Å; C139-L141 HydrophobicContact CB-CD1 3.93Å; C139-L141 PolarHBondContact O-N 3.31Å
142G85.7Confident86.9Confident22 Ų2269.3 Ų69.323%0.22738%0.379CS..BIsolated β-bridgetrans-74.2138.8174.900000111.8S132S132-G142 WeakPolarHBondContact OG-CA 3.24Å
143I87.3Confident87.3Confident17 Ų1777.3 Ų77.39%0.08741%0.407CS..PPolyproline II helixtrans-93.6135.8-178.5-44.1-179.2000110.3Q134 C136 E147 V149 V156Q134-I143 PolarHBondContact O-N 3.14Å; C136-I143 HydrophobicContact CB-CD1 4.28Å; C136-I143 HydrophobicContact CB-CG1 4.25Å; I143-E147 HydrophobicContact CG2-CB 4.4Å; I143-E147 HydrophobicContact CG2-CG 4.33Å; I143-V149 HydrophobicContact CD1-CG1 3.94Å; I143-V149 HydrophobicContact CG2-CG1 3.53Å; I143-V156 HydrophobicContact CD1-CB 3.96Å; I143-V156 HydrophobicContact CD1-CG1 3.52Å
144S82.5Confident88.1Confident44 Ų4478.6 Ų78.631%0.30841%0.409SS..PPolyproline II helixtrans-80148.2178.871.90000112.8S146 E147S144-S146 PolarHBondContact O-N 3.21Å; S144-E147 PolarHBondContact O-N 3.4Å; S144-E147 WeakPolarHBondContact OG-CB 3.49Å; S144-E147 PolarHBondContact OG-OE2 3.43Å
145A81.2Confident88.6Confident106 Ų10675.9 Ų75.988%0.87640%0.399SS*.THydrogen-bonded Turntrans-69-15.4-17600000114.6
146S80.8Confident88.8Confident101 Ų10170.8 Ų70.871%0.70638%0.38SS*.THydrogen-bonded Turntrans-96.1-8.2177.549.40000113.7S144S144-S146 PolarHBondContact O-N 3.21Å
147E88Confident88.9Confident78 Ų7871 Ų7136%0.36438%0.381SS..SBendtrans-85.8144-178.5175.8174.1-171.600111.9I143 S144 H158I143-E147 HydrophobicContact CG2-CB 4.4Å; I143-E147 HydrophobicContact CG2-CG 4.33Å; S144-E147 PolarHBondContact O-N 3.4Å; S144-E147 WeakPolarHBondContact OG-CB 3.49Å; S144-E147 PolarHBondContact OG-OE2 3.43Å; E147-H158 IonicContact OE1-CD2 3.08Å; E147-H158 PolarHBondContact OE1-CD2 2.78Å; E147-H158 IonicContact OE1-CG 3.09Å; E147-H158 IonicContact OE2-CD2 2.69Å
148M90.1Very high89Confident135 Ų13570.2 Ų70.267%0.66537%0.371SS*.  trans-81.2138.8173.3-67.7-174-64.200109.9L159M148-L159 HydrophobicContact CB-CD1 4.33Å; M148-L159 HydrophobicContact CB-CD2 4.46Å; M148-L159 WeakPolarHBondContact O-CD1 3.49Å
149V93.3Very high89.1Confident48 Ų4870.2 Ų70.229%0.29138%0.377SS..EExtended strand (participates in β ladder)trans-124.2149.5-177.3-67.70000112I143 R151 V156 Y157I143-V149 HydrophobicContact CD1-CG1 3.94Å; I143-V149 HydrophobicContact CG2-CG1 3.53Å; V149-R151 HydrophobicContact CG2-CG 4.19Å; V149-V156 HydrophobicContact CB-CG1 3.62Å; V149-V156 HydrophobicContact CG1-CG1 3.8Å; V149-V156 HydrophobicContact CG2-CG1 3.84Å; V149-Y157 CarbonylContact C-O 3.57Å; V149-Y157 WeakPolarHBondContact CA-O 3.02Å; V149-Y157 WeakPolarHBondContact CB-O 3.17Å
150M92.8Very high89.3Confident31 Ų3172.4 Ų72.415%0.15339%0.393CS..EExtended strand (participates in β ladder)trans-87.3137.8158.9-158.867.575.500108.9Y157 F162M150-Y157 PolarHBondContact N-O 3.45Å; M150-Y157 PolarHBondContact O-N 3.41Å; M150-F162 HydrophobicContact CB-CB 3.96Å; M150-F162 HydrophobicContact CB-CD1 4.26Å; M150-F162 HydrophobicContact CB-CD2 3.82Å; M150-F162 HydrophobicContact CB-CE2 4.39Å; M150-F162 HydrophobicContact CB-CG 3.75Å; M150-F162 HydrophobicContact CE-CD1 4.03Å; M150-F162 HydrophobicContact CE-CE1 4.44Å; M150-F162 HydrophobicContact CG-CB 4.3Å; M150-F162 HydrophobicContact CG-CD1 3.65Å; M150-F162 HydrophobicContact CG-CD2 3.67Å; M150-F162 HydrophobicContact CG-CE1 3.79Å; M150-F162 HydrophobicContact CG-CE2 3.79Å; M150-F162 HydrophobicContact CG-CG 3.59Å; M150-F162 HydrophobicContact CG-CZ 3.85Å
151R92.9Very high89.6Confident154 Ų15467.5 Ų67.558%0.58137%0.372SS*.EExtended strand (participates in β ladder)trans-120.1128173.8-70.7-176.9172.9-89.4-3.5108.7V149 V156V149-R151 HydrophobicContact CG2-CG 4.19Å; R151-V156 HydrophobicContact CG-CG1 4.14Å; R151-V156 HydrophobicContact CG-CG2 4.27Å; R151-V156 VanDerWaalsContact NH1-CG2 3.27Å
152A90.6Very high90Very high6 Ų663.2 Ų63.25%0.0535%0.349CS..EExtended strand (participates in β ladder)trans-140114.5179.300000108.9D154 S155 Y157 F162 F177 M179A152-D154 PolarHBondContact O-N 2.95Å; A152-S155 PolarHBondContact N-O 2.68Å; A152-S155 PolarHBondContact O-N 3.13Å; A152-Y157 HydrophobicContact CB-CE2 4.27Å; A152-F162 HydrophobicContact CB-CE2 3.85Å; A152-F162 HydrophobicContact CB-CZ 4.17Å; A152-F177 HydrophobicContact CB-CE2 4.08Å; A152-F177 HydrophobicContact CB-CZ 4.08Å; A152-M179 HydrophobicContact CB-CE 3.54Å
153R88.1Confident90.5Very high186 Ų18663 Ų6370%0.70234%0.344SS*.THydrogen-bonded Turntrans48.7-133.9-160.3-59.9179.9176.2142-0.5109.2S155 M179R153-S155 VanDerWaalsContact C-N 3.3Å; R153-M179 HydrophobicContact CB-SD 4.49Å; R153-M179 HydrophobicContact CG-SD 4.32Å; R153-M179 PolarHBondContact NH1-O 2.96Å
154D88.7Confident90.9Very high160 Ų16062.2 Ų62.286%0.85634%0.34SS*.THydrogen-bonded Turntrans-84.7-3.7-177.3-47.6-79.1000113.2A152A152-D154 PolarHBondContact O-N 2.95Å
155S92.1Very high91.5Very high24 Ų2462.3 Ų62.317%0.16834%0.338CS..EExtended strand (participates in β ladder)trans-92.1144.7179.6-66.70000113A152 R153 Y157A152-S155 PolarHBondContact N-O 2.68Å; A152-S155 PolarHBondContact O-N 3.13Å; R153-S155 VanDerWaalsContact C-N 3.3Å; S155-Y157 VanDerWaalsContact CB-CE2 3.48Å; S155-Y157 WeakPolarHBondContact CB-OH 3.45Å
156V92.7Very high92.1Very high6 Ų661.1 Ų61.14%0.03632%0.321CS..EExtended strand (participates in β ladder)trans-119.9143.8179.6-164.40000110.4Q134 C136 A137 I143 V149 R151Q134-V156 VanDerWaalsContact OE1-CG2 3.29Å; C136-V156 CarbonylContact C-O 3.57Å; C136-V156 WeakPolarHBondContact CA-O 3.46Å; A137-V156 PolarHBondContact N-O 3.43Å; I143-V156 HydrophobicContact CD1-CB 3.96Å; I143-V156 HydrophobicContact CD1-CG1 3.52Å; V149-V156 HydrophobicContact CB-CG1 3.62Å; V149-V156 HydrophobicContact CG1-CG1 3.8Å; V149-V156 HydrophobicContact CG2-CG1 3.84Å; R151-V156 HydrophobicContact CG-CG1 4.14Å; R151-V156 HydrophobicContact CG-CG2 4.27Å; R151-V156 VanDerWaalsContact NH1-CG2 3.27Å
157Y93.1Very high92.8Very high4 Ų459.2 Ų59.22%0.01631%0.306CS..EExtended strand (participates in β ladder)trans-139.5144.6-175.1-53.8-100.5000110.4A137 R138 V149 M150 A152 S155 F162 M179 S182 V184A137-Y157 HydrophobicContact CB-CD1 4.29Å; A137-Y157 HydrophobicContact CB-CE1 3.7Å; A137-Y157 HydrophobicContact CB-CE2 4.48Å; R138-Y157 HydrophobicContact CB-CD1 4.04Å; R138-Y157 HydrophobicContact CB-CE1 4.42Å; V149-Y157 CarbonylContact C-O 3.57Å; V149-Y157 WeakPolarHBondContact CA-O 3.02Å; V149-Y157 WeakPolarHBondContact CB-O 3.17Å; M150-Y157 PolarHBondContact N-O 3.45Å; M150-Y157 PolarHBondContact O-N 3.41Å; A152-Y157 HydrophobicContact CB-CE2 4.27Å; S155-Y157 VanDerWaalsContact CB-CE2 3.48Å; S155-Y157 WeakPolarHBondContact CB-OH 3.45Å; Y157-F162 HydrophobicContact CD1-CD2 4.27Å; Y157-F162 AromaticContact CD2-CD2 3.72Å; Y157-F162 HydrophobicContact CD2-CD2 3.72Å; Y157-F162 HydrophobicContact CD2-CE2 4.01Å; Y157-F162 HydrophobicContact CE2-CD2 4.31Å; Y157-F162 HydrophobicContact CE2-CE2 4.23Å; Y157-F162 AromaticContact CG-CD2 3.74Å; Y157-F162 HydrophobicContact CG-CD2 3.74Å; Y157-F162 HydrophobicContact CG-CE2 4.45Å; Y157-M179 HydrophobicContact CE2-CE 4.09Å; Y157-M179 VanDerWaalsContact OH-CE 3.3Å; Y157-M179 WeakPolarHBondContact OH-CE 3.46Å; Y157-S182 PolarHBondContact OH-O 2.97Å; Y157-V184 HydrophobicContact CE1-CG2 4.09Å; Y157-V184 HydrophobicContact CE2-CG2 4.49Å
158H93.6Very high93.1Very high18 Ų1860.7 Ų60.78%0.08332%0.317CS..EExtended strand (participates in β ladder)trans-61.7152.3160.2-44.9128000109.5C136 C139 E147 S160 C161 F162C136-H158 VanDerWaalsContact CB-CE1 3.42Å; C136-H158 WeakPolarHBondContact CB-CE1 3.37Å; C139-H158 VanDerWaalsContact SG-CE1 3.54Å; E147-H158 IonicContact OE1-CD2 3.08Å; E147-H158 PolarHBondContact OE1-CD2 2.78Å; E147-H158 IonicContact OE1-CG 3.09Å; E147-H158 IonicContact OE2-CD2 2.69Å; H158-S160 VanDerWaalsContact C-N 3.27Å; H158-S160 PolarHBondContact O-N 3.17Å; H158-C161 HydrophobicContact CB-CB 3.97Å; H158-C161 PolarHBondContact ND1-SG 3.2Å; H158-C161 CarbonylContact O-C 3.32Å; H158-C161 WeakPolarHBondContact O-CA 3.16Å; H158-C161 WeakPolarHBondContact O-CB 3.19Å; H158-C161 PolarHBondContact O-N 2.83Å; H158-F162 PolarHBondContact O-N 3.49Å; H158-F162 VanDerWaalsContact O-N 3.12Å
159L93.6Very high93.3Very high76 Ų7659.4 Ų59.440%0.39831%0.307SS..G310 helixtrans-57.6-39.2176.4-98.856.6000112.6M148 C161 F162 T170M148-L159 HydrophobicContact CB-CD1 4.33Å; M148-L159 HydrophobicContact CB-CD2 4.46Å; M148-L159 WeakPolarHBondContact O-CD1 3.49Å; L159-C161 VanDerWaalsContact C-N 3.25Å; L159-C161 PolarHBondContact O-N 3.01Å; L159-F162 PolarHBondContact O-N 3.37Å; L159-T170 WeakPolarHBondContact O-CG2 3.48Å
160S93.9Very high93.3Very high90 Ų9060.4 Ų60.463%0.62931%0.314SS*.G310 helixtrans-68.3-21.9174.250.80000113.8H158H158-S160 VanDerWaalsContact C-N 3.27Å; H158-S160 PolarHBondContact O-N 3.17Å
161C94.1Very high93.3Very high19 Ų1959.1 Ų59.113%0.12831%0.307CS..G310 helixtrans-95.5-8.4-178.6-69.70000113.6C136 R138 C139 H158 L159 T163C136-C161 WeakPolarHBondContact SG-CB 3.25Å; R138-C161 HydrophobicContact CB-CB 3.87Å; R138-C161 HydrophobicContact CG-CB 4.12Å; R138-C161 WeakPolarHBondContact CG-O 3.18Å; C139-C161 VanDerWaalsContact SG-SG 3.63Å; H158-C161 HydrophobicContact CB-CB 3.97Å; H158-C161 PolarHBondContact ND1-SG 3.2Å; H158-C161 CarbonylContact O-C 3.32Å; H158-C161 WeakPolarHBondContact O-CA 3.16Å; H158-C161 WeakPolarHBondContact O-CB 3.19Å; H158-C161 PolarHBondContact O-N 2.83Å; L159-C161 VanDerWaalsContact C-N 3.25Å; L159-C161 PolarHBondContact O-N 3.01Å; C161-T163 PolarHBondContact O-N 3.34Å
162F95.9Very high93.3Very high2 Ų255.9 Ų55.91%0.00931%0.305CS..  trans-84.766.1177.9-161.2-105.6000110.6M150 A152 Y157 H158 L159 L171 F177 V184M150-F162 HydrophobicContact CB-CB 3.96Å; M150-F162 HydrophobicContact CB-CD1 4.26Å; M150-F162 HydrophobicContact CB-CD2 3.82Å; M150-F162 HydrophobicContact CB-CE2 4.39Å; M150-F162 HydrophobicContact CB-CG 3.75Å; M150-F162 HydrophobicContact CE-CD1 4.03Å; M150-F162 HydrophobicContact CE-CE1 4.44Å; M150-F162 HydrophobicContact CG-CB 4.3Å; M150-F162 HydrophobicContact CG-CD1 3.65Å; M150-F162 HydrophobicContact CG-CD2 3.67Å; M150-F162 HydrophobicContact CG-CE1 3.79Å; M150-F162 HydrophobicContact CG-CE2 3.79Å; M150-F162 HydrophobicContact CG-CG 3.59Å; M150-F162 HydrophobicContact CG-CZ 3.85Å; A152-F162 HydrophobicContact CB-CE2 3.85Å; A152-F162 HydrophobicContact CB-CZ 4.17Å; Y157-F162 HydrophobicContact CD1-CD2 4.27Å; Y157-F162 AromaticContact CD2-CD2 3.72Å; Y157-F162 HydrophobicContact CD2-CD2 3.72Å; Y157-F162 HydrophobicContact CD2-CE2 4.01Å; Y157-F162 HydrophobicContact CE2-CD2 4.31Å; Y157-F162 HydrophobicContact CE2-CE2 4.23Å; Y157-F162 AromaticContact CG-CD2 3.74Å; Y157-F162 HydrophobicContact CG-CD2 3.74Å; Y157-F162 HydrophobicContact CG-CE2 4.45Å; H158-F162 PolarHBondContact O-N 3.49Å; H158-F162 VanDerWaalsContact O-N 3.12Å; L159-F162 PolarHBondContact O-N 3.37Å; F162-L171 HydrophobicContact CD1-CB 3.69Å; F162-L171 WeakPolarHBondContact CD1-O 3.26Å; F162-L171 HydrophobicContact CE1-CB 3.81Å; F162-L171 PolarHBondContact O-N 3.21Å; F162-F177 HydrophobicContact CE1-CD1 4.17Å; F162-F177 HydrophobicContact CE1-CE1 4.26Å; F162-F177 HydrophobicContact CE1-CG 4.31Å; F162-F177 HydrophobicContact CZ-CD1 4.19Å; F162-F177 AromaticContact CZ-CD2 3.94Å; F162-F177 HydrophobicContact CZ-CD2 3.94Å; F162-F177 HydrophobicContact CZ-CE1 4.01Å; F162-F177 AromaticContact CZ-CE2 3.77Å; F162-F177 HydrophobicContact CZ-CE2 3.77Å; F162-F177 HydrophobicContact CZ-CG 4.16Å; F162-F177 AromaticContact CZ-CZ 3.8Å; F162-F177 HydrophobicContact CZ-CZ 3.8Å; F162-V184 HydrophobicContact CD2-CG1 4.44Å; F162-V184 HydrophobicContact CD2-CG2 4.06Å; F162-V184 HydrophobicContact CE1-CG1 4.21Å; F162-V184 HydrophobicContact CE2-CB 4.46Å; F162-V184 HydrophobicContact CE2-CG1 3.98Å; F162-V184 HydrophobicContact CE2-CG2 3.63Å; F162-V184 HydrophobicContact CZ-CG1 3.85Å; F162-V184 HydrophobicContact CZ-CG2 4.28Å
163T95.8Very high93.3Very high19 Ų1961.8 Ų61.812%0.11734%0.34CS..BIsolated β-bridgetrans-112.1147.4-175.250.50000111.7R138 C161 T165 N168 K169 T170R138-T163 PolarHBondContact NE-OG1 2.71Å; C161-T163 PolarHBondContact O-N 3.34Å; T163-T165 PolarHBondContact O-N 3.34Å; T163-N168 WeakPolarHBondContact CB-O 3.45Å; T163-N168 VanDerWaalsContact CG2-O 3.3Å; T163-N168 WeakPolarHBondContact CG2-O 3.47Å; T163-K169 WeakPolarHBondContact CA-O 3.37Å; T163-T170 HydrophobicContact CG2-CG2 4.49Å
164C95.4Very high93.4Very high0 Ų056.2 Ų56.20%034%0.341CS..  trans-63.4129.6172.1173.10000110.7T166 C167 N168 K169 L171 V184 C186C164-T166 VanDerWaalsContact C-N 3.29Å; C164-T166 PolarHBondContact O-N 3.15Å; C164-C167 VanDerWaalsContact SG-SG 3.61Å; C164-N168 WeakPolarHBondContact O-CA 3.2Å; C164-N168 PolarHBondContact O-N 3.28Å; C164-K169 PolarHBondContact N-O 3.41Å; C164-L171 HydrophobicContact CB-CD1 4.34Å; C164-V184 CarbonylContact C-O 3.6Å; C164-C186 HydrophobicContact CB-CB 4.04Å; C164-C186 PolarHBondContact SG-N 3.04Å
165T94.6Very high93.6Very high45 Ų4550.8 Ų50.828%0.27631%0.312SS..THydrogen-bonded Turntrans-65-29.3-176.5-53.60000113.7R138 T163 L183 V184 Y185R138-T165 PolarHBondContact NH1-OG1 3.46Å; T163-T165 PolarHBondContact O-N 3.34Å; T165-L183 HydrophobicContact CG2-CD2 4.49Å; T165-V184 PolarHBondContact N-O 2.91Å; T165-V184 PolarHBondContact OG1-O 3.32Å; T165-Y185 HydrophobicContact CG2-CE1 4.45Å
166T94Very high93.6Very high82 Ų8253.4 Ų53.450%0.50332%0.322SS..THydrogen-bonded Turntrans-84.5-33.6-177.5-440000113.9C164 Y185 H189C164-T166 VanDerWaalsContact C-N 3.29Å; C164-T166 PolarHBondContact O-N 3.15Å; T166-Y185 WeakPolarHBondContact OG1-CD1 3.34Å; T166-H189 HydrophobicContact CG2-CB 4.3Å
167C94.8Very high93.7Very high60 Ų6054.6 Ų54.641%0.40533%0.326SS..THydrogen-bonded Turntrans-130.77.5-173.668.90000115C164 K169 H189C164-C167 VanDerWaalsContact SG-SG 3.61Å; C167-K169 PolarHBondContact O-N 3.32Å; C167-H189 PolarHBondContact SG-CE1 3.32Å
168N94.6Very high93.6Very high109 Ų10954.8 Ų54.858%0.58333%0.329SS*.  trans54.25.4-178.9-66.1-28.3000116.8R138 T163 C164 T170R138-N168 PolarHBondContact NH2-OD1 3.39Å; T163-N168 WeakPolarHBondContact CB-O 3.45Å; T163-N168 VanDerWaalsContact CG2-O 3.3Å; T163-N168 WeakPolarHBondContact CG2-O 3.47Å; C164-N168 WeakPolarHBondContact O-CA 3.2Å; C164-N168 PolarHBondContact O-N 3.28Å; N168-T170 PolarHBondContact O-N 3.07Å
169K93.8Very high93.6Very high109 Ų10954.6 Ų54.647%0.47433%0.328SS..  trans-57.3122.8174.3-170.2-160.5173-161.20110.2T163 C164 C167 D175T163-K169 WeakPolarHBondContact CA-O 3.37Å; C164-K169 PolarHBondContact N-O 3.41Å; C167-K169 PolarHBondContact O-N 3.32Å; K169-D175 IonicContact NZ-OD1 3.97Å; K169-D175 PolarHBondContact NZ-OD1 2.96Å
170T94.1Very high93.4Very high69 Ų6954.2 Ų54.242%0.42332%0.324SS..BIsolated β-bridgetrans-63.4137169.9-44.10000110.7L159 T163 N168L159-T170 WeakPolarHBondContact O-CG2 3.48Å; T163-T170 HydrophobicContact CG2-CG2 4.49Å; N168-T170 PolarHBondContact O-N 3.07Å
171L93.1Very high93Very high3 Ų356.1 Ų56.12%0.01633%0.327CS..  trans-111.7135.4-178.5-66.4157.3000109.3F162 C164 D175 F177 V184 C186F162-L171 HydrophobicContact CD1-CB 3.69Å; F162-L171 WeakPolarHBondContact CD1-O 3.26Å; F162-L171 HydrophobicContact CE1-CB 3.81Å; F162-L171 PolarHBondContact O-N 3.21Å; C164-L171 HydrophobicContact CB-CD1 4.34Å; L171-D175 HydrophobicContact CB-CB 4.3Å; L171-D175 HydrophobicContact CD2-CB 3.76Å; L171-F177 HydrophobicContact CD1-CB 3.84Å; L171-F177 HydrophobicContact CD2-CB 4.47Å; L171-V184 HydrophobicContact CD1-CG1 3.68Å; L171-C186 HydrophobicContact CD1-CB 4.46Å; L171-C186 HydrophobicContact CD2-CB 3.88Å
172T93.3Very high92.6Very high86 Ų8658.2 Ų58.253%0.52834%0.342SS..  trans-121.3172.6-171.368.30000111.8G174 D175T172-G174 PolarHBondContact O-N 3.23Å; T172-D175 WeakPolarHBondContact CB-OD2 3.47Å; T172-D175 PolarHBondContact N-OD2 3.05Å; T172-D175 PolarHBondContact O-N 3.03Å; T172-D175 PolarHBondContact OG1-OD2 3.12Å
173T90.6Very high92.4Very high130 Ų13061.6 Ų61.680%0.79836%0.36SS*.THydrogen-bonded Turntrans-64.799.3179.8-51.40000110.9
174G89.8Confident92.3Very high70 Ų7060.9 Ų60.972%0.72236%0.355SS*.THydrogen-bonded Turntrans123.2-17.2-174.600000113.7T172T172-G174 PolarHBondContact O-N 3.23Å
175D92.3Very high92.2Very high46 Ų4662.2 Ų62.225%0.24636%0.36CS..  trans-68.1146170.1-82.3-79.5000111.1K169 L171 T172K169-D175 IonicContact NZ-OD1 3.97Å; K169-D175 PolarHBondContact NZ-OD1 2.96Å; L171-D175 HydrophobicContact CB-CB 4.3Å; L171-D175 HydrophobicContact CD2-CB 3.76Å; T172-D175 WeakPolarHBondContact CB-OD2 3.47Å; T172-D175 PolarHBondContact N-OD2 3.05Å; T172-D175 PolarHBondContact O-N 3.03Å; T172-D175 PolarHBondContact OG1-OD2 3.12Å
176H92.6Very high92.3Very high79 Ų7960.8 Ų60.837%0.36635%0.352SS..  trans-88.8123.9174.9-77.4-158.3000111.6R187 Y219H176-R187 HydrophobicContact CB-CB 3.99Å; H176-R187 PolarHBondContact O-N 3.46Å; H176-Y219 WeakPolarHBondContact CA-OH 3.47Å; H176-Y219 HydrophobicContact CB-CE1 4.31Å; H176-Y219 HydrophobicContact CB-CE2 4.13Å; H176-Y219 WeakPolarHBondContact CB-OH 3.44Å; H176-Y219 AromaticContact CE1-CE1 3.85Å; H176-Y219 AromaticContact CG-CE1 3.83Å; H176-Y219 AromaticContact CG-CZ 3.63Å; H176-Y219 AromaticContact ND1-CE1 3.53Å; H176-Y219 AromaticContact ND1-CZ 3.72Å
177F94.1Very high92.2Very high31 Ų3162.9 Ų62.914%0.13635%0.351CS..EExtended strand (participates in β ladder)trans-138.8160.5-176.380.1-91.1000112.1A152 F162 L171 V184 Y185 Y219A152-F177 HydrophobicContact CB-CE2 4.08Å; A152-F177 HydrophobicContact CB-CZ 4.08Å; F162-F177 HydrophobicContact CE1-CD1 4.17Å; F162-F177 HydrophobicContact CE1-CE1 4.26Å; F162-F177 HydrophobicContact CE1-CG 4.31Å; F162-F177 HydrophobicContact CZ-CD1 4.19Å; F162-F177 AromaticContact CZ-CD2 3.94Å; F162-F177 HydrophobicContact CZ-CD2 3.94Å; F162-F177 HydrophobicContact CZ-CE1 4.01Å; F162-F177 AromaticContact CZ-CE2 3.77Å; F162-F177 HydrophobicContact CZ-CE2 3.77Å; F162-F177 HydrophobicContact CZ-CG 4.16Å; F162-F177 AromaticContact CZ-CZ 3.8Å; F162-F177 HydrophobicContact CZ-CZ 3.8Å; L171-F177 HydrophobicContact CD1-CB 3.84Å; L171-F177 HydrophobicContact CD2-CB 4.47Å; F177-V184 HydrophobicContact CD2-CG1 4.17Å; F177-Y185 CarbonylContact C-O 3.49Å; F177-Y185 WeakPolarHBondContact CA-O 3.42Å; F177-Y185 VanDerWaalsContact CB-O 3.3Å; F177-Y185 WeakPolarHBondContact CB-O 3.38Å; F177-Y219 PolarHBondContact N-OH 3.3Å; F177-Y219 WeakPolarHBondContact O-CE2 3.44Å; F177-Y219 PolarHBondContact O-OH 3.27Å
178G92.5Very high92.2Very high7 Ų764.6 Ų64.67%0.07236%0.359CS..EExtended strand (participates in β ladder)trans-130.7169.9168.900000111.7Y185G178-Y185 PolarHBondContact N-O 2.69Å; G178-Y185 PolarHBondContact O-N 2.98Å
179M92.6Very high92.2Very high14 Ų1461.9 Ų61.97%0.06934%0.343CS..EExtended strand (participates in β ladder)trans-146.9123.2-175.2176-177.1-83.200112.1A152 R153 Y157 L183 V184A152-M179 HydrophobicContact CB-CE 3.54Å; R153-M179 HydrophobicContact CB-SD 4.49Å; R153-M179 HydrophobicContact CG-SD 4.32Å; R153-M179 PolarHBondContact NH1-O 2.96Å; Y157-M179 HydrophobicContact CE2-CE 4.09Å; Y157-M179 VanDerWaalsContact OH-CE 3.3Å; Y157-M179 WeakPolarHBondContact OH-CE 3.46Å; M179-L183 VanDerWaalsContact CA-O 3.31Å; M179-L183 WeakPolarHBondContact CA-O 3.47Å; M179-V184 HydrophobicContact CE-CG2 3.81Å
180K90Very high92.2Very high68 Ų6858.5 Ų58.530%0.29633%0.328SS..EExtended strand (participates in β ladder)trans-125.8135.5171.2-166.1179.2-179.4172.90107.4S182 L183 Y185 F190 I193 E197K180-S182 VanDerWaalsContact C-N 3.29Å; K180-S182 PolarHBondContact O-N 3.22Å; K180-S182 VanDerWaalsContact O-N 3.13Å; K180-L183 PolarHBondContact N-O 3.02Å; K180-L183 WeakPolarHBondContact O-CA 3.48Å; K180-L183 WeakPolarHBondContact O-CB 3.25Å; K180-L183 PolarHBondContact O-N 3.46Å; K180-Y185 HydrophobicContact CB-CE2 4.44Å; K180-F190 HydrophobicContact CB-CE2 4.43Å; K180-I193 HydrophobicContact CD-CG2 4.49Å; K180-E197 IonicContact NZ-OE1 2.68Å; K180-E197 PolarHBondContact NZ-OE1 3.43Å; K180-E197 IonicContact NZ-OE2 3.23Å
181D85.8Confident92Very high130 Ų13059.1 Ų59.170%0.69533%0.327SS*.THydrogen-bonded Turntrans50.840.6174.7-46.8-33.1000115.4L183D181-L183 PolarHBondContact O-N 3.08Å; D181-L183 VanDerWaalsContact O-N 3.07Å
182S84.8Confident91.8Very high64 Ų6463.1 Ų63.145%0.44835%0.351SS..THydrogen-bonded Turntrans60.64.4-172.1-51.30000115.9Y157 K180Y157-S182 PolarHBondContact OH-O 2.97Å; K180-S182 VanDerWaalsContact C-N 3.29Å; K180-S182 PolarHBondContact O-N 3.22Å; K180-S182 VanDerWaalsContact O-N 3.13Å
183L91.1Very high91.5Very high73 Ų7361.8 Ų61.838%0.38234%0.34SS..EExtended strand (participates in β ladder)trans-85.9135.3170.4-61.9176.7000110.4T165 M179 K180 D181 Y185T165-L183 HydrophobicContact CG2-CD2 4.49Å; M179-L183 VanDerWaalsContact CA-O 3.31Å; M179-L183 WeakPolarHBondContact CA-O 3.47Å; K180-L183 PolarHBondContact N-O 3.02Å; K180-L183 WeakPolarHBondContact O-CA 3.48Å; K180-L183 WeakPolarHBondContact O-CB 3.25Å; K180-L183 PolarHBondContact O-N 3.46Å; D181-L183 PolarHBondContact O-N 3.08Å; D181-L183 VanDerWaalsContact O-N 3.07Å; L183-Y185 HydrophobicContact CB-CE2 3.6Å; L183-Y185 WeakPolarHBondContact CD1-OH 3.42Å; L183-Y185 WeakPolarHBondContact O-CD2 3.45Å; L183-Y185 WeakPolarHBondContact O-CE2 3.46Å
184V94.1Very high91.2Very high4 Ų458.2 Ų58.22%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-95.3139.4-179.7-179.10000109.6Y157 F162 C164 T165 L171 F177 M179Y157-V184 HydrophobicContact CE1-CG2 4.09Å; Y157-V184 HydrophobicContact CE2-CG2 4.49Å; F162-V184 HydrophobicContact CD2-CG1 4.44Å; F162-V184 HydrophobicContact CD2-CG2 4.06Å; F162-V184 HydrophobicContact CE1-CG1 4.21Å; F162-V184 HydrophobicContact CE2-CB 4.46Å; F162-V184 HydrophobicContact CE2-CG1 3.98Å; F162-V184 HydrophobicContact CE2-CG2 3.63Å; F162-V184 HydrophobicContact CZ-CG1 3.85Å; F162-V184 HydrophobicContact CZ-CG2 4.28Å; C164-V184 CarbonylContact C-O 3.6Å; T165-V184 PolarHBondContact N-O 2.91Å; T165-V184 PolarHBondContact OG1-O 3.32Å; L171-V184 HydrophobicContact CD1-CG1 3.68Å; F177-V184 HydrophobicContact CD2-CG1 4.17Å; M179-V184 HydrophobicContact CE-CG2 3.81Å
185Y94.5Very high90.6Very high27 Ų2761.3 Ų61.311%0.10632%0.319CS..EExtended strand (participates in β ladder)trans-135.7142.1178.3-59.6-89.3000110T165 T166 F177 G178 K180 L183 F190 I193T165-Y185 HydrophobicContact CG2-CE1 4.45Å; T166-Y185 WeakPolarHBondContact OG1-CD1 3.34Å; F177-Y185 CarbonylContact C-O 3.49Å; F177-Y185 WeakPolarHBondContact CA-O 3.42Å; F177-Y185 VanDerWaalsContact CB-O 3.3Å; F177-Y185 WeakPolarHBondContact CB-O 3.38Å; G178-Y185 PolarHBondContact N-O 2.69Å; G178-Y185 PolarHBondContact O-N 2.98Å; K180-Y185 HydrophobicContact CB-CE2 4.44Å; L183-Y185 HydrophobicContact CB-CE2 3.6Å; L183-Y185 WeakPolarHBondContact CD1-OH 3.42Å; L183-Y185 WeakPolarHBondContact O-CD2 3.45Å; L183-Y185 WeakPolarHBondContact O-CE2 3.46Å; Y185-F190 HydrophobicContact CD2-CD2 4.24Å; Y185-I193 HydrophobicContact CD1-CD1 3.53Å; Y185-I193 HydrophobicContact CE1-CD1 3.29Å; Y185-I193 HydrophobicContact CG-CD1 4.26Å
186C95.2Very high89.1Confident16 Ų1662.3 Ų62.311%0.10834%0.341CS..EExtended strand (participates in β ladder)trans-69.3159.4167.570.40000109.7C164 L171 V188 H189 F190C164-C186 HydrophobicContact CB-CB 4.04Å; C164-C186 PolarHBondContact SG-N 3.04Å; L171-C186 HydrophobicContact CD1-CB 4.46Å; L171-C186 HydrophobicContact CD2-CB 3.88Å; C186-V188 VanDerWaalsContact C-N 3.3Å; C186-V188 PolarHBondContact O-N 3.47Å; C186-V188 VanDerWaalsContact O-N 3.13Å; C186-H189 PolarHBondContact O-N 2.79Å; C186-H189 PolarHBondContact SG-ND1 3.36Å; C186-F190 PolarHBondContact O-N 3.22Å
187R92.9Very high87.2Confident125 Ų12564.9 Ų64.947%0.47235%0.353SS..Hα-helixtrans-41.2-54-177.8179.8-176.8168173.91.2113.5H176 H189 F190 E191 Y219H176-R187 HydrophobicContact CB-CB 3.99Å; H176-R187 PolarHBondContact O-N 3.46Å; R187-H189 PolarHBondContact O-N 3.37Å; R187-F190 PolarHBondContact O-N 3.49Å; R187-E191 IonicContact NE-OE2 3.13Å; R187-E191 PolarHBondContact NE-OE2 2.96Å; R187-E191 IonicContact NH2-OE2 2.95Å; R187-E191 VanDerWaalsContact O-CB 3.28Å; R187-E191 WeakPolarHBondContact O-CB 3.42Å; R187-E191 PolarHBondContact O-N 3.13Å; R187-Y219 HydrophobicContact CG-CE2 4.49Å
188V94Very high84.7Confident96 Ų9672.8 Ų72.858%0.58238%0.383SS*.Hα-helixtrans-57.6-54.5-174.6-178.40000111.5C186 F190 E191 T192C186-V188 VanDerWaalsContact C-N 3.3Å; C186-V188 PolarHBondContact O-N 3.47Å; C186-V188 VanDerWaalsContact O-N 3.13Å; V188-F190 VanDerWaalsContact C-N 3.34Å; V188-F190 PolarHBondContact O-N 3.06Å; V188-E191 WeakPolarHBondContact O-CB 3.48Å; V188-E191 PolarHBondContact O-N 3.46Å; V188-T192 PolarHBondContact O-N 3.45Å; V188-T192 PolarHBondContact O-OG1 3.04Å; V188-T192 VanDerWaalsContact O-OG1 3.05Å
189H94.4Very high82.6Confident52 Ų5278.4 Ų78.424%0.24142%0.418CS..Hα-helixtrans-70.9-29.5-178.6-60121.1000113T166 C167 C186 R187 E191 I193T166-H189 HydrophobicContact CG2-CB 4.3Å; C167-H189 PolarHBondContact SG-CE1 3.32Å; C186-H189 PolarHBondContact O-N 2.79Å; C186-H189 PolarHBondContact SG-ND1 3.36Å; R187-H189 PolarHBondContact O-N 3.37Å; H189-E191 VanDerWaalsContact C-N 3.34Å; H189-I193 WeakPolarHBondContact O-CB 3.38Å; H189-I193 WeakPolarHBondContact O-CD1 3.42Å; H189-I193 WeakPolarHBondContact O-CG1 3.43Å; H189-I193 PolarHBondContact O-N 3.36Å
190F93.5Very high80.5Confident38 Ų3885.8 Ų85.817%0.16745%0.452CS..Hα-helixtrans-65.7-40.1171.8-170.4-107.6000111.6K180 Y185 C186 R187 V188 I193 A194K180-F190 HydrophobicContact CB-CE2 4.43Å; Y185-F190 HydrophobicContact CD2-CD2 4.24Å; C186-F190 PolarHBondContact O-N 3.22Å; R187-F190 PolarHBondContact O-N 3.49Å; V188-F190 VanDerWaalsContact C-N 3.34Å; V188-F190 PolarHBondContact O-N 3.06Å; F190-I193 PolarHBondContact O-N 2.93Å; F190-A194 VanDerWaalsContact O-CB 3.24Å; F190-A194 WeakPolarHBondContact O-CB 3.38Å; F190-A194 PolarHBondContact O-N 3.49Å
191E90.9Very high78.8Confident83 Ų8388.4 Ų88.439%0.38848%0.477SS..Hα-helixtrans-65.6-43.5177.5-167.8158.7-17500110.9R187 V188 H189 I193 A194 Q195R187-E191 IonicContact NE-OE2 3.13Å; R187-E191 PolarHBondContact NE-OE2 2.96Å; R187-E191 IonicContact NH2-OE2 2.95Å; R187-E191 VanDerWaalsContact O-CB 3.28Å; R187-E191 WeakPolarHBondContact O-CB 3.42Å; R187-E191 PolarHBondContact O-N 3.13Å; V188-E191 WeakPolarHBondContact O-CB 3.48Å; V188-E191 PolarHBondContact O-N 3.46Å; H189-E191 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 2.85Å; E191-A194 PolarHBondContact O-N 3.27Å; E191-Q195 VanDerWaalsContact O-CG 3.28Å; E191-Q195 WeakPolarHBondContact O-CG 3.45Å; E191-Q195 PolarHBondContact O-N 3.14Å
192T89.6Confident77.1Confident87 Ų8785.7 Ų85.753%0.53448%0.479SS..Hα-helixtrans-58.7-45171.2-46.40000112.8V188 G196V188-T192 PolarHBondContact O-N 3.45Å; V188-T192 PolarHBondContact O-OG1 3.04Å; V188-T192 VanDerWaalsContact O-OG1 3.05Å; T192-G196 PolarHBondContact O-N 3.14Å
193I86.3Confident75.1Confident57 Ų5790.7 Ų90.729%0.29250%0.5SS..Hα-helixtrans-71.9-35.3-178.4-68.6165.4000111.5K180 Y185 H189 F190 E191 G196K180-I193 HydrophobicContact CD-CG2 4.49Å; Y185-I193 HydrophobicContact CD1-CD1 3.53Å; Y185-I193 HydrophobicContact CE1-CD1 3.29Å; Y185-I193 HydrophobicContact CG-CD1 4.26Å; H189-I193 WeakPolarHBondContact O-CB 3.38Å; H189-I193 WeakPolarHBondContact O-CD1 3.42Å; H189-I193 WeakPolarHBondContact O-CG1 3.43Å; H189-I193 PolarHBondContact O-N 3.36Å; F190-I193 PolarHBondContact O-N 2.93Å; E191-I193 PolarHBondContact O-N 2.85Å; I193-G196 PolarHBondContact O-N 3.42Å
194A84.4Confident73.1Confident55 Ų5593 Ų9346%0.45551%0.512SS..Hα-helixtrans-71.5-29.1177.600000113.2F190 E191 G196F190-A194 VanDerWaalsContact O-CB 3.24Å; F190-A194 WeakPolarHBondContact O-CB 3.38Å; F190-A194 PolarHBondContact O-N 3.49Å; E191-A194 PolarHBondContact O-N 3.27Å; A194-G196 VanDerWaalsContact C-N 3.3Å
195Q76.6Confident70.9Confident135 Ų135102.4 Ų102.463%0.63155%0.549SS*.Hα-helixtrans-75.3-18174.2-71.51717.400112.9E191 E197E191-Q195 VanDerWaalsContact O-CG 3.28Å; E191-Q195 WeakPolarHBondContact O-CG 3.45Å; E191-Q195 PolarHBondContact O-N 3.14Å; Q195-E197 VanDerWaalsContact C-N 3.26Å; Q195-E197 PolarHBondContact O-N 2.9Å
196G60.9Low68.8Low67 Ų67106 Ų10669%0.69158%0.578SS**THydrogen-bonded Turntrans-71.2-6.4-175.300000116.6T192 I193 A194T192-G196 PolarHBondContact O-N 3.14Å; I193-G196 PolarHBondContact O-N 3.42Å; A194-G196 VanDerWaalsContact C-N 3.3Å
197E52.2Low66.3Low133 Ų133112.6 Ų112.662%0.62161%0.607SS**THydrogen-bonded Turntrans-99.2-0.1-177.5-77.6174.7-179.500114.5K180 Q195K180-E197 IonicContact NZ-OE1 2.68Å; K180-E197 PolarHBondContact NZ-OE1 3.43Å; K180-E197 IonicContact NZ-OE2 3.23Å; Q195-E197 VanDerWaalsContact C-N 3.26Å; Q195-E197 PolarHBondContact O-N 2.9Å
198Y41.2Very low64.1Low197 Ų197113.8 Ų113.877%0.77362%0.622SS**  trans-143.7111.6173.7-98-89.1000113.4H200Y198-H200 PolarHBondContact O-N 2.85Å
199P49.6Very low62Low125 Ų125113.9 Ų113.981%0.81263%0.633SS**  trans-83.295.3171.132.7-32000111.1
200H48.8Very low59.7Low169 Ų169115.6 Ų115.678%0.78266%0.656SS**  trans-126.1121.7162.4-101-72.1000110.4Y198Y198-H200 PolarHBondContact O-N 2.85Å
201P53.3Low57.2Low124 Ų124123.1 Ų123.181%0.80569%0.689SS**  trans-80.3131.8-174.230.9-34.1000112.4
202G51.2Low55.2Low73 Ų73123.7 Ų123.775%0.75372%0.717SS**  trans68.788.2152.300000117.9
203L42Very low53Low168 Ų168122.7 Ų122.788%0.8872%0.724SS**  trans-128.1133.5145.8-75.4179.4000110.1
204N49Very low51.1Low121 Ų121124.2 Ų124.265%0.64775%0.754SS**  trans-80.4119.1-173.8-173.26.7000110.6S206N204-S206 PolarHBondContact O-N 2.83Å; N204-S206 VanDerWaalsContact O-N 3.15Å
205Y47.6Very low49Very low203 Ų203129.3 Ų129.380%0.79677%0.773SS**THydrogen-bonded Turntrans-74.8-3.9-167.9-113.7-86.8000115.4
206S51.6Low47.8Very low102 Ų102127.9 Ų127.971%0.71378%0.784SS**THydrogen-bonded Turntrans-77.8-20.4-177.9-63.40000115.2N204N204-S206 PolarHBondContact O-N 2.83Å; N204-S206 VanDerWaalsContact O-N 3.15Å
207E41.9Very low47.1Very low154 Ų154131.4 Ų131.472%0.7279%0.786SS**SBendtrans-96.3-20.7-173.8-90.3175.289.700115.1A209E207-A209 VanDerWaalsContact C-N 3.25Å; E207-A209 PolarHBondContact O-N 3.39Å
208L46.5Very low47.2Very low151 Ų151130.4 Ų130.479%0.79179%0.791SS**G310 helixtrans-81.43.6-172.1-128.273.2000115.2A210L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 3.36Å
209A50.5Low47.2Very low98 Ų98124.2 Ų124.281%0.8177%0.767SS**G310 helixtrans-75.8-11.5176.600000114.1E207E207-A209 VanDerWaalsContact C-N 3.25Å; E207-A209 PolarHBondContact O-N 3.39Å
210A46.8Very low47.5Very low88 Ų88125 Ų12573%0.72776%0.757SS**G310 helixtrans-90.8-8.8-165.100000116.4L208L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 3.36Å
211K41.3Very low47.8Very low196 Ų196121.9 Ų121.985%0.85275%0.747SS**SBendtrans-135.4127.5178.6-70.5-169.8176.41800112.3G213K211-G213 PolarHBondContact O-N 3.35Å
212G47.8Very low47.3Very low94 Ų94117.9 Ų117.997%0.96973%0.728SS**  trans-72.4123.3-173.500000113.5
213G42.6Very low46.7Very low67 Ų67120.3 Ų120.369%0.69173%0.729SS**  trans-167.8109.1171.800000109.1K211 L215K211-G213 PolarHBondContact O-N 3.35Å; G213-L215 PolarHBondContact O-N 3.38Å
214G47.6Very low46.4Very low89 Ų89115.8 Ų115.892%0.91872%0.722SS**  trans-75.195.7-168.300000113.7
215L40.3Very low46Very low162 Ų162117.2 Ų117.285%0.84874%0.735SS**  trans-86.8121.7164.2-63.9-179.6000110G213 L217G213-L215 PolarHBondContact O-N 3.38Å; L215-L217 PolarHBondContact O-N 2.86Å
216A51.6Low45.6Very low104 Ų104111.9 Ų111.986%0.8673%0.733SS**  trans-80.398.4-176.600000111.3
217L46.5Very low45.2Very low141 Ų141116 Ų11674%0.73874%0.742SS**  trans-59.6141.2169-70.2171.3000110.5L215 Y219L215-L217 PolarHBondContact O-N 2.86Å; L217-Y219 PolarHBondContact O-N 2.82Å
218P52.6Low45Very low112 Ų112118.9 Ų118.973%0.72775%0.752SS**  trans-74.320.7-177.732.6-37.7000113.7F220P218-F220 PolarHBondContact O-N 2.93Å
219Y43Very low44.4Very low67 Ų67115.1 Ų115.126%0.26375%0.749SS.*  trans-82.9108.4-172.1-172.8-90.1000111.5H176 F177 R187 L217 N221H176-Y219 WeakPolarHBondContact CA-OH 3.47Å; H176-Y219 HydrophobicContact CB-CE1 4.31Å; H176-Y219 HydrophobicContact CB-CE2 4.13Å; H176-Y219 WeakPolarHBondContact CB-OH 3.44Å; H176-Y219 AromaticContact CE1-CE1 3.85Å; H176-Y219 AromaticContact CG-CE1 3.83Å; H176-Y219 AromaticContact CG-CZ 3.63Å; H176-Y219 AromaticContact ND1-CE1 3.53Å; H176-Y219 AromaticContact ND1-CZ 3.72Å; F177-Y219 PolarHBondContact N-OH 3.3Å; F177-Y219 WeakPolarHBondContact O-CE2 3.44Å; F177-Y219 PolarHBondContact O-OH 3.27Å; R187-Y219 HydrophobicContact CG-CE2 4.49Å; L217-Y219 PolarHBondContact O-N 2.82Å; Y219-N221 PolarHBondContact O-N 3.31Å
220F55.7Low43.7Very low141 Ų141121.7 Ų121.762%0.61875%0.753SS**  trans-82.4114.1-174-174.4-100.3000112.7P218 G222P218-F220 PolarHBondContact O-N 2.93Å; F220-G222 PolarHBondContact O-N 3.43Å
221N54Low43.6Very low105 Ų105124 Ų12456%0.56176%0.76SS**  trans-82.8104.5175.2-16584.7000111.3Y219 T223Y219-N221 PolarHBondContact O-N 3.31Å; N221-T223 PolarHBondContact O-N 2.92Å
222G43.8Very low43.4Very low40 Ų40126.3 Ų126.341%0.41276%0.763SS.*SBendtrans-72.381-171.800000115.9F220F220-G222 PolarHBondContact O-N 3.43Å
223T38.7Very low42.8Very low124 Ų124131.7 Ų131.776%0.76176%0.76SS**  trans-173.1128146.7120000111.4N221N221-T223 PolarHBondContact O-N 2.92Å
224G34.5Very low42.3Very low72 Ų72139.7 Ų139.774%0.74277%0.77SS**  trans-179.662-17700000115A226G224-A226 PolarHBondContact O-N 2.77Å
225T42.1Very low41.7Very low151 Ų151144.6 Ų144.693%0.92677%0.766SS**  trans-75.171.117753.40000112Q227T225-Q227 PolarHBondContact O-N 3.12Å
226A39.3Very low41.3Very low91 Ų91141 Ų14175%0.75275%0.754SS**  trans-86.7102174.700000110.7G224 K228G224-A226 PolarHBondContact O-N 2.77Å; A226-K228 PolarHBondContact O-N 3.36Å
227Q41.5Very low40.9Very low190 Ų190142 Ų14289%0.88875%0.752SS**  trans-62.1130167.5-78-68.4-12.800110T225 G229T225-Q227 PolarHBondContact O-N 3.12Å; Q227-G229 PolarHBondContact O-N 3.16Å
228K38.2Very low40.3Very low214 Ų214140.2 Ų140.293%0.9376%0.757SS**  trans-74.1118-177.1-67179.6-179.7176.60110.1A226A226-K228 PolarHBondContact O-N 3.36Å
229G33.9Very low39.6Very low71 Ų71144.3 Ų144.373%0.73277%0.769SS**  trans-136.7113.6178.400000112.8Q227Q227-G229 PolarHBondContact O-N 3.16Å
230R36Very low39.2Very low237 Ų237144.3 Ų144.389%0.89479%0.789SS**  trans32.5119.1165.1-159.7171.8-171.6170.52.9118.3R232R230-R232 PolarHBondContact O-N 3.18Å
231P44Very low38.1Very low135 Ų135145.7 Ų145.788%0.87780%0.802SS**  trans-56.8128.9177.3-22.532.6000113
232R37.7Very low37.4Very low245 Ų245147.9 Ų147.993%0.92581%0.813SS**  trans-116.1126.4167.2-118.3-179.8-176.1-178.21.5110.1R230 R234R230-R232 PolarHBondContact O-N 3.18Å; R232-R234 PolarHBondContact O-N 3.27Å
233K34.8Very low36.8Very low208 Ų208154.3 Ų154.390%0.90484%0.837SS**  trans-56.2114-173.9-172.2171.8-177.9173.90111.1
234R33.1Very low36.6Very low235 Ų235152.8 Ų152.889%0.88784%0.836SS**  trans-70.2128.7176.2-146.8-178.9-164.7-133.35.5108.8R232R232-R234 PolarHBondContact O-N 3.27Å
235K33.8Very low36.4Very low191 Ų191155 Ų15583%0.8384%0.841SS**  trans-127.2105.1171.9179.168.9176.7-177.70108.1
236S32.3Very low35.8Very low86 Ų86157.6 Ų157.660%0.60184%0.835SS**  trans-70.5151.2165.5-41.60000109.7
237P43.2Very low35.7Very low126 Ų126159.7 Ų159.782%0.81883%0.833SS**  -122.4179.3124.418.4-1000111.8
238A34.3Very low35.4Very low103 Ų103155.9 Ų155.985%0.85183%0.828SS**  trans-91.6-172.7-168.700000114.1
239M37.5Very low34.9Very low198 Ų198149.5 Ų149.598%0.97582%0.823SS**  trans-65.6160.4178.1-62.5170.6163.100113.4
240G34.2Very low34.7Very low67 Ų67151.9 Ų151.969%0.69183%0.827SS**  trans168.5109.9159.300000116.5
241I32.8Very low34.6Very low171 Ų171147 Ų14788%0.87782%0.819SS**  trans75.2130.6145.4-56.6166.2000118.6
242D39.1Very low34.1Very low150 Ų150148.2 Ų148.280%0.80281%0.812SS**  trans-86.9153.4175.3-47.9-102.6000113.5
243I31.5Very low34.1Very low176 Ų176143.7 Ų143.790%0.90381%0.807SS**  trans-161.5157.9149.8-115.7162.9000110.6
244A34.6Very low34.3Very low91 Ų91141.1 Ų141.175%0.75280%0.803SS**  trans-133.3165.2-169.300000114.1
245S30.9Very low34.4Very low120 Ų120133.7 Ų133.784%0.83980%0.799SS**  trans71.6153.9-178.3-122.80000114.8
246Y29.8Very low34.6Very low205 Ų205132.3 Ų132.380%0.80480%0.801SS**  cis-149.9157.514.554.4-92000114.9
247N36.1Very low34.9Very low134 Ų134135.2 Ų135.272%0.71781%0.805SS**  trans28.7121.9144.8-150.932.8000124.2
248S35.6Very low34.9Very low110 Ų110136 Ų13677%0.76980%0.801SS**  trans43.1145.1134.7-56.60000124.9
249G28Very low35.2Very low80 Ų80137.1 Ų137.183%0.82579%0.793SS**  trans171.6133.6157.500000114.1
250C30.1Very low35.1Very low121 Ų121137.4 Ų137.482%0.81878%0.783SS**  trans-137.5145.4172.153.80000110.5
251N33.6Very low35.5Very low136 Ų136141.5 Ų141.573%0.72779%0.789SS**  178.5-162.8110.1-147.957.3000112.1
252E33Very low35.8Very low159 Ų159140.9 Ų140.974%0.74378%0.783SS**  trans-102.5154.2-164-55.1148.412300113.8
253N36.9Very low36Very low151 Ų151138 Ų13881%0.80778%0.78SS**  164.9165.8110.8-16060.4000113.6
254D40.1Very low36.1Very low153 Ų153140.2 Ų140.282%0.81878%0.779SS**  trans-58158.1-174.7-75.2-124.5000119.4
255G34.3Very low36.7Very low79 Ų79140.8 Ų140.881%0.81478%0.775SS**  trans-178.8133.3164.400000112.2
256D39.4Very low37.3Very low162 Ų162141.1 Ų141.187%0.86677%0.774SS**  trans-98.6-179.5-173.1-153.4-75.3000113.4
257H38.4Very low37.9Very low148 Ų148136.5 Ų136.569%0.68577%0.771SS**  trans95.287.4155-159.2-77.7000121.4
258L43.3Very low38.4Very low142 Ų142138.7 Ų138.774%0.74378%0.778SS**  trans52.1137.4136.5-51.6-176.1000124
259D40.3Very low38.8Very low127 Ų127143.1 Ų143.168%0.67978%0.783SS**  trans67.191.6148.2-158.2-90.5000122.1
260R36.1Very low40.2Very low203 Ų203145.5 Ų145.577%0.76678%0.781SS**  trans-156.8137.4138.5-160.749.938.2163.8-11.9113.5Q262R260-Q262 PolarHBondContact O-N 3.18Å
261D42.3Very low41.5Very low153 Ų153149.1 Ų149.182%0.81878%0.783SS**  trans-74.7114.3169-161.8-59.8000110.3
262Q39Very low42.5Very low158 Ų158154 Ų15474%0.73879%0.792SS**  trans-155.5132.7175.2-165.363.162.300111.7R260 Y264R260-Q262 PolarHBondContact O-N 3.18Å; Q262-Y264 PolarHBondContact O-N 3.43Å
263A42.2Very low43.7Very low91 Ų91155.2 Ų155.275%0.75280%0.799SS**PPolyproline II helixtrans-72.5121.8-171.400000114.5
264Y34.2Very low45.5Very low222 Ų222159.5 Ų159.587%0.87180%0.804SS**PPolyproline II helixtrans-81.7140.6173.8-103.7-96.3000113.2Q262Q262-Y264 PolarHBondContact O-N 3.43Å
265P46.4Very low47.1Very low103 Ų103157.7 Ų157.767%0.66980%0.799SS**PPolyproline II helixtrans-70.1149.8166.630.6-34.4000111.2S267P265-S267 PolarHBondContact O-N 2.89Å
266P43.8Very low49.4Very low126 Ų126159.4 Ų159.482%0.81880%0.798SS**  trans-72.197.9-175.428.8-35000112.1Q268P266-Q268 PolarHBondContact O-N 3.36Å
267S42.9Very low52Low108 Ų108154.4 Ų154.476%0.75577%0.769SS**  trans-54.6123.9174.8-179.90000111.8P265 K269P265-S267 PolarHBondContact O-N 2.89Å; S267-K269 PolarHBondContact O-N 3.06Å
268Q46.7Very low54.6Low181 Ų181155.1 Ų155.185%0.84677%0.77SS**  trans-72.996.9-177.2-62.1-172.228.300110.2P266 T270P266-Q268 PolarHBondContact O-N 3.36Å; Q268-T270 PolarHBondContact O-N 3.08Å
269K45Very low57Low203 Ų203154.8 Ų154.888%0.88377%0.765SS**  trans-59.5100.9179.4-71.5179.3178.6175.60111.1S267 K271S267-K269 PolarHBondContact O-N 3.06Å; K269-K271 PolarHBondContact O-N 2.95Å
270T57.2Low59.5Low129 Ų129154 Ų15479%0.79176%0.757SS**  trans-59.7124.5178.944.20000110.9Q268 R272Q268-T270 PolarHBondContact O-N 3.08Å; T270-R272 PolarHBondContact O-N 3.01Å
271K56.4Low62.3Low197 Ų197145.7 Ų145.786%0.85773%0.726SS**  trans-71.692.6-177-177-179178.9-178.80109.6K269 M273K269-K271 PolarHBondContact O-N 2.95Å; K271-M273 PolarHBondContact O-N 3.38Å; K271-M273 VanDerWaalsContact O-N 3.14Å
272R55.1Low64.8Low240 Ų240140.7 Ų140.791%0.90670%0.699SS**PPolyproline II helixtrans-46.3120.4-179.5-57.5-171.2-163.1-167.45.5110.6T270T270-R272 PolarHBondContact O-N 3.01Å
273M58.2Low67.5Low183 Ų183140.8 Ų140.890%0.90169%0.693SS**PPolyproline II helixtrans-64.2137179.5-65.8177.672.300110.1K271 T275K271-M273 PolarHBondContact O-N 3.38Å; K271-M273 VanDerWaalsContact O-N 3.14Å; M273-T275 PolarHBondContact O-N 3.38Å
274R75Confident70Confident241 Ų241138 Ų13891%0.90967%0.667SS**PPolyproline II helixtrans-73.4123.1172.3175.2175.1-73.9-143.8-1.3108.7S276R274-S276 PolarHBondContact O-N 3.3Å
275T72.4Confident73Confident115 Ų115127.4 Ų127.471%0.70663%0.625SS**PPolyproline II helixtrans-60.5131.2170.646.80000110.6M273M273-T275 PolarHBondContact O-N 3.38Å
276S83.9Confident75.3Confident115 Ų115129 Ų12980%0.80462%0.621SS**PPolyproline II helixtrans-102.7148.6176.2-166.20000110.6R274R274-S276 PolarHBondContact O-N 3.3Å
277F93.1Very high77.8Confident58 Ų58126.6 Ų126.625%0.25461%0.608SS.*PPolyproline II helixtrans-94.7136.9179.2-62.8-71.7000110.6L282 M285 L309 V313 W317F277-L282 HydrophobicContact CB-CD1 4.19Å; F277-L282 HydrophobicContact CB-CD2 3.72Å; F277-L282 HydrophobicContact CB-CG 3.67Å; F277-L282 HydrophobicContact CD2-CD2 4.06Å; F277-L282 HydrophobicContact CG-CD2 4.12Å; F277-M285 HydrophobicContact CD1-CE 4.07Å; F277-M285 HydrophobicContact CE1-CE 4.4Å; F277-M285 HydrophobicContact CG-CE 4.24Å; F277-L309 HydrophobicContact CD1-CD1 3.75Å; F277-L309 HydrophobicContact CD1-CD2 4.07Å; F277-L309 HydrophobicContact CE1-CD1 3.77Å; F277-L309 HydrophobicContact CE1-CD2 4.08Å; F277-V313 HydrophobicContact CE1-CG1 3.55Å; F277-V313 HydrophobicContact CZ-CG1 3.87Å; F277-W317 AromaticContact CE2-CD1 3.74Å; F277-W317 AromaticContact CZ-CD1 3.98Å
278K92.4Very high80.3Confident163 Ų163123.7 Ų123.771%0.70958%0.58SS**PPolyproline II helixtrans-66.2149.5172.3-67.7-173.6176.8-1770110.2H280 Q281 L282K278-H280 VanDerWaalsContact C-N 3.3Å; K278-H280 PolarHBondContact O-N 2.98Å; K278-Q281 HydrophobicContact CB-CG 4.26Å; K278-Q281 WeakPolarHBondContact O-CB 3.46Å; K278-Q281 PolarHBondContact O-N 3.46Å; K278-L282 PolarHBondContact O-N 3.03Å; K278-L282 VanDerWaalsContact O-N 3.12Å
279H93.8Very high82.6Confident135 Ų135116.4 Ų116.463%0.62555%0.546SS*.Hα-helixtrans-54-42-176.8-173.854.1000113.5Q281 L282 R283H279-Q281 PolarHBondContact O-N 3.45Å; H279-L282 PolarHBondContact O-N 2.8Å; H279-R283 PolarHBondContact O-N 2.8Å
280H94.3Very high84.9Confident110 Ų110110.8 Ų110.851%0.50954%0.537SS..Hα-helixtrans-56.3-48.3173.5174.489.7000112.1K278 L282 R283 T284K278-H280 VanDerWaalsContact C-N 3.3Å; K278-H280 PolarHBondContact O-N 2.98Å; H280-L282 VanDerWaalsContact C-N 3.32Å; H280-L282 PolarHBondContact O-N 3.01Å; H280-R283 PolarHBondContact O-N 2.99Å; H280-R283 VanDerWaalsContact O-N 3.14Å; H280-T284 PolarHBondContact NE2-OG1 2.88Å; H280-T284 PolarHBondContact O-N 2.93Å; H280-T284 PolarHBondContact O-OG1 3.13Å; H280-T284 VanDerWaalsContact O-OG1 3.12Å
281Q94Very high86.6Confident28 Ų28111.5 Ų111.513%0.13154%0.535CS..Hα-helixtrans-60.5-43.1-179.8-59.1171.8-39.600110.9K278 H279 M285 T307 L309K278-Q281 HydrophobicContact CB-CG 4.26Å; K278-Q281 WeakPolarHBondContact O-CB 3.46Å; K278-Q281 PolarHBondContact O-N 3.46Å; H279-Q281 PolarHBondContact O-N 3.45Å; Q281-M285 HydrophobicContact CB-CE 4.29Å; Q281-M285 WeakPolarHBondContact O-CB 3.33Å; Q281-M285 WeakPolarHBondContact O-CE 3.27Å; Q281-M285 WeakPolarHBondContact O-CG 3.44Å; Q281-M285 PolarHBondContact O-N 3.36Å; Q281-T307 WeakPolarHBondContact CG-O 3.22Å; Q281-T307 PolarHBondContact NE2-O 2.64Å; Q281-L309 HydrophobicContact CB-CD1 4.16Å; Q281-L309 HydrophobicContact CG-CD1 4.46Å
282L95.7Very high88.2Confident48 Ų48104.6 Ų104.625%0.25151%0.507SS..Hα-helixtrans-64.7-39.1175.7-69.3174.6000112.6F277 K278 H279 H280 M285 K286F277-L282 HydrophobicContact CB-CD1 4.19Å; F277-L282 HydrophobicContact CB-CD2 3.72Å; F277-L282 HydrophobicContact CB-CG 3.67Å; F277-L282 HydrophobicContact CD2-CD2 4.06Å; F277-L282 HydrophobicContact CG-CD2 4.12Å; K278-L282 PolarHBondContact O-N 3.03Å; K278-L282 VanDerWaalsContact O-N 3.12Å; H279-L282 PolarHBondContact O-N 2.8Å; H280-L282 VanDerWaalsContact C-N 3.32Å; H280-L282 PolarHBondContact O-N 3.01Å; L282-M285 HydrophobicContact CD2-CE 4.09Å; L282-K286 VanDerWaalsContact O-CB 3.27Å; L282-K286 WeakPolarHBondContact O-CB 3.38Å; L282-K286 WeakPolarHBondContact O-CG 3.48Å; L282-K286 PolarHBondContact O-N 3.12Å
283R95.6Very high90Very high161 Ų16196.5 Ų96.561%0.60848%0.479SS*.Hα-helixtrans-63.8-49.6176-178179.5-79.7159.4-9.1110.8H279 H280 K286 S287H279-R283 PolarHBondContact O-N 2.8Å; H280-R283 PolarHBondContact O-N 2.99Å; H280-R283 VanDerWaalsContact O-N 3.14Å; R283-K286 PolarHBondContact O-N 3.35Å; R283-S287 VanDerWaalsContact O-CB 3.31Å; R283-S287 WeakPolarHBondContact O-CB 3.48Å; R283-S287 PolarHBondContact O-N 2.88Å
284T94.6Very high91.6Very high32 Ų3292.7 Ų92.720%0.19646%0.463CS..Hα-helixtrans-61.4-46.4179.2-56.70000112H280 S287 Y288 L303 K306 T307H280-T284 PolarHBondContact NE2-OG1 2.88Å; H280-T284 PolarHBondContact O-N 2.93Å; H280-T284 PolarHBondContact O-OG1 3.13Å; H280-T284 VanDerWaalsContact O-OG1 3.12Å; T284-S287 PolarHBondContact O-N 2.89Å; T284-Y288 PolarHBondContact O-N 3.14Å; T284-Y288 VanDerWaalsContact O-N 3.11Å; T284-L303 HydrophobicContact CG2-CD2 4.22Å; T284-K306 HydrophobicContact CG2-CB 4.42Å; T284-T307 HydrophobicContact CG2-CG2 3.84Å
285M96.7Very high92.4Very high0 Ų082 Ų820%043%0.425CS..Hα-helixtrans-65.4-40.7177.4-70.4-174.4-70.600112.9F277 Q281 L282 F289 T307 L309 L314 W317 F318F277-M285 HydrophobicContact CD1-CE 4.07Å; F277-M285 HydrophobicContact CE1-CE 4.4Å; F277-M285 HydrophobicContact CG-CE 4.24Å; Q281-M285 HydrophobicContact CB-CE 4.29Å; Q281-M285 WeakPolarHBondContact O-CB 3.33Å; Q281-M285 WeakPolarHBondContact O-CE 3.27Å; Q281-M285 WeakPolarHBondContact O-CG 3.44Å; Q281-M285 PolarHBondContact O-N 3.36Å; L282-M285 HydrophobicContact CD2-CE 4.09Å; M285-F289 WeakPolarHBondContact O-CB 3.32Å; M285-F289 PolarHBondContact O-N 3.17Å; M285-T307 HydrophobicContact CG-CG2 4.47Å; M285-L309 HydrophobicContact CE-CD1 3.81Å; M285-L309 HydrophobicContact SD-CD1 3.88Å; M285-L314 HydrophobicContact CG-CD2 3.95Å; M285-L314 HydrophobicContact SD-CD2 3.45Å; M285-L314 WeakPolarHBondContact SD-CD2 3.18Å; M285-W317 HydrophobicContact CB-CD2 4.11Å; M285-W317 HydrophobicContact CB-CE3 3.96Å; M285-W317 HydrophobicContact CB-CH2 3.71Å; M285-W317 HydrophobicContact CB-CZ2 3.82Å; M285-W317 HydrophobicContact CB-CZ3 3.77Å; M285-W317 HydrophobicContact CE-CD2 4.18Å; M285-W317 HydrophobicContact CE-CG 4.05Å; M285-W317 HydrophobicContact CG-CD2 4.46Å; M285-W317 HydrophobicContact CG-CE3 4.48Å; M285-W317 HydrophobicContact SD-CB 4.08Å; M285-W317 HydrophobicContact SD-CD2 3.64Å; M285-W317 HydrophobicContact SD-CE3 4.11Å; M285-W317 HydrophobicContact SD-CG 3.6Å; M285-W317 VanDerWaalsContact SD-CG 3.6Å; M285-F318 HydrophobicContact CG-CE2 4.46Å
286K95.4Very high93.5Very high136 Ų13680 Ų8059%0.59141%0.409SS*.Hα-helixtrans-67-41.7176.3-75.8174.5179.5-177.60112.7L282 R283 F289 A290 W317L282-K286 VanDerWaalsContact O-CB 3.27Å; L282-K286 WeakPolarHBondContact O-CB 3.38Å; L282-K286 WeakPolarHBondContact O-CG 3.48Å; L282-K286 PolarHBondContact O-N 3.12Å; R283-K286 PolarHBondContact O-N 3.35Å; K286-F289 PolarHBondContact O-N 3.38Å; K286-A290 PolarHBondContact O-N 3.26Å; K286-W317 HydrophobicContact CG-CH2 4.15Å; K286-W317 HydrophobicContact CG-CZ2 4.15Å
287S95.6Very high93.9Very high76 Ų7677.5 Ų77.553%0.53140%0.396SS..Hα-helixtrans-62-43.9178.5171.80000111.1R283 T284 A290R283-S287 VanDerWaalsContact O-CB 3.31Å; R283-S287 WeakPolarHBondContact O-CB 3.48Å; R283-S287 PolarHBondContact O-N 2.88Å; T284-S287 PolarHBondContact O-N 2.89Å; S287-A290 PolarHBondContact O-N 3.47Å
288Y95.2Very high93.9Very high46 Ų4682.2 Ų82.218%0.1842%0.416CS..Hα-helixtrans-65-42.2172.3-171.1-75.3000112T284 A290 I291 N292 P295 D299 L303 F318T284-Y288 PolarHBondContact O-N 3.14Å; T284-Y288 VanDerWaalsContact O-N 3.11Å; Y288-A290 PolarHBondContact O-N 3.49Å; Y288-I291 PolarHBondContact O-N 3.38Å; Y288-N292 HydrophobicContact CE1-CB 3.65Å; Y288-N292 WeakPolarHBondContact CE1-O 3.44Å; Y288-N292 PolarHBondContact O-N 2.98Å; Y288-N292 PolarHBondContact OH-ND2 3.43Å; Y288-P295 HydrophobicContact CD1-CB 4.37Å; Y288-P295 HydrophobicContact CE1-CB 3.63Å; Y288-P295 HydrophobicContact CE1-CG 4.3Å; Y288-D299 HydrophobicContact CE2-CB 4.38Å; Y288-D299 PolarHBondContact OH-OD1 3.46Å; Y288-D299 PolarHBondContact OH-OD2 3.35Å; Y288-L303 HydrophobicContact CD1-CD1 4.07Å; Y288-L303 HydrophobicContact CD2-CD1 4.17Å; Y288-L303 HydrophobicContact CD2-CD2 4.22Å; Y288-L303 HydrophobicContact CD2-CG 4.41Å; Y288-L303 HydrophobicContact CG-CD1 3.93Å; Y288-L303 HydrophobicContact CG-CD2 4.15Å; Y288-L303 HydrophobicContact CG-CG 4.49Å; Y288-F318 AromaticContact CD1-CE1 3.9Å; Y288-F318 HydrophobicContact CD1-CE1 3.9Å; Y288-F318 AromaticContact CD1-CZ 3.85Å; Y288-F318 HydrophobicContact CD1-CZ 3.85Å; Y288-F318 HydrophobicContact CG-CZ 4.48Å
289F95.9Very high94Very high29 Ų2976 Ų7613%0.12739%0.391CS..Hα-helixtrans-61-24.7178.1-168.1-85.8000113.1M285 K286 I291 H293 W317 F318 A321 R322 F325M285-F289 WeakPolarHBondContact O-CB 3.32Å; M285-F289 PolarHBondContact O-N 3.17Å; K286-F289 PolarHBondContact O-N 3.38Å; F289-I291 PolarHBondContact O-N 2.91Å; F289-H293 AromaticContact CD1-CD2 3.93Å; F289-H293 AromaticContact CE1-CD2 3.61Å; F289-H293 AromaticContact CE1-NE2 3.63Å; F289-H293 HydrophobicContact CE2-CB 4.35Å; F289-H293 HydrophobicContact CZ-CB 4.36Å; F289-H293 AromaticContact CZ-CD2 3.79Å; F289-H293 AromaticContact CZ-CG 3.93Å; F289-H293 PolarHBondContact O-CD2 3.35Å; F289-W317 HydrophobicContact CB-CH2 4.35Å; F289-W317 HydrophobicContact CB-CZ3 4.19Å; F289-W317 HydrophobicContact CD2-CZ3 4.18Å; F289-W317 HydrophobicContact CG-CZ3 4.44Å; F289-F318 HydrophobicContact CB-CE1 4.07Å; F289-F318 AromaticContact CD2-CD1 3.69Å; F289-F318 HydrophobicContact CD2-CD1 3.69Å; F289-F318 AromaticContact CD2-CE1 3.78Å; F289-F318 HydrophobicContact CD2-CE1 3.78Å; F289-F318 HydrophobicContact CE2-CD1 4.35Å; F289-F318 HydrophobicContact CG-CE1 4.43Å; F289-A321 HydrophobicContact CD2-CB 3.76Å; F289-A321 HydrophobicContact CE2-CB 3.47Å; F289-A321 VanDerWaalsContact CE2-CB 3.47Å; F289-A321 HydrophobicContact CG-CB 4.5Å; F289-A321 HydrophobicContact CZ-CB 3.99Å; F289-R322 HydrophobicContact CE2-CG 3.87Å; F289-R322 HydrophobicContact CZ-CG 4.19Å; F289-F325 HydrophobicContact CE1-CD2 4.49Å; F289-F325 HydrophobicContact CZ-CB 4.27Å
290A93.1Very high94.1Very high84 Ų8470.1 Ų70.169%0.69436%0.364SS*.THydrogen-bonded Turntrans-71.9-15.6173.800000113.7K286 S287 Y288K286-A290 PolarHBondContact O-N 3.26Å; S287-A290 PolarHBondContact O-N 3.47Å; Y288-A290 PolarHBondContact O-N 3.49Å
291I91.4Very high94.1Very high144 Ų14472.3 Ų72.374%0.73837%0.372SS*.THydrogen-bonded Turntrans-106.2-44-177.1-54.9171.4000110.5Y288 F289Y288-I291 PolarHBondContact O-N 3.38Å; F289-I291 PolarHBondContact O-N 2.91Å
292N91.3Very high94.1Very high52 Ų5275.7 Ų75.728%0.27839%0.388SS..  trans-142.2121.1178.617615.6000112Y288 N294Y288-N292 HydrophobicContact CE1-CB 3.65Å; Y288-N292 WeakPolarHBondContact CE1-O 3.44Å; Y288-N292 PolarHBondContact O-N 2.98Å; Y288-N292 PolarHBondContact OH-ND2 3.43Å; N292-N294 PolarHBondContact ND2-O 3.26Å; N292-N294 VanDerWaalsContact OD1-C 3.25Å; N292-N294 WeakPolarHBondContact OD1-CA 3.38Å; N292-N294 PolarHBondContact OD1-N 3.43Å; N292-N294 PolarHBondContact OD1-O 3.04Å
293H92.1Very high94.1Very high70 Ų7073.8 Ų73.832%0.32438%0.378SS..SBendtrans-75.2-26.2177.9-67.3-178.6000113F289 P295 R322 F325F289-H293 AromaticContact CD1-CD2 3.93Å; F289-H293 AromaticContact CE1-CD2 3.61Å; F289-H293 AromaticContact CE1-NE2 3.63Å; F289-H293 HydrophobicContact CE2-CB 4.35Å; F289-H293 HydrophobicContact CZ-CB 4.36Å; F289-H293 AromaticContact CZ-CD2 3.79Å; F289-H293 AromaticContact CZ-CG 3.93Å; F289-H293 PolarHBondContact O-CD2 3.35Å; H293-P295 WeakPolarHBondContact O-CD 3.47Å; H293-R322 HydrophobicContact CB-CG 4.37Å; H293-R322 VanDerWaalsContact O-CD 3.31Å; H293-R322 WeakPolarHBondContact O-CD 3.38Å; H293-R322 PolarHBondContact O-NH1 3.4Å; H293-F325 AromaticContact CE1-CD1 4Å; H293-F325 AromaticContact CE1-CE1 3.71Å; H293-F325 AromaticContact CE1-CE2 3.91Å; H293-F325 AromaticContact CE1-CZ 3.67Å
294N92.9Very high94.1Very high103 Ų10367.2 Ų67.255%0.55136%0.358SS*.SBendtrans-119.174.9-178.7-87.89.5000110.8N292 R322N292-N294 PolarHBondContact ND2-O 3.26Å; N292-N294 VanDerWaalsContact OD1-C 3.25Å; N292-N294 WeakPolarHBondContact OD1-CA 3.38Å; N292-N294 PolarHBondContact OD1-N 3.43Å; N292-N294 PolarHBondContact OD1-O 3.04Å; N294-R322 WeakPolarHBondContact OD1-CD 3.39Å; N294-R322 PolarHBondContact OD1-NE 3.07Å; N294-R322 VanDerWaalsContact OD1-NE 3.1Å; N294-R322 PolarHBondContact OD1-NH1 2.82Å
295P91.7Very high94.2Very high17 Ų1773.5 Ų73.511%0.1139%0.385CS..  trans-60.7140.7172.925.1-34.7000112.1Y288 H293 D299 L300 L303 F318Y288-P295 HydrophobicContact CD1-CB 4.37Å; Y288-P295 HydrophobicContact CE1-CB 3.63Å; Y288-P295 HydrophobicContact CE1-CG 4.3Å; H293-P295 WeakPolarHBondContact O-CD 3.47Å; P295-D299 HydrophobicContact CB-CB 3.58Å; P295-L300 HydrophobicContact CB-CD1 3.79Å; P295-L300 HydrophobicContact CG-CD1 3.84Å; P295-L300 VanDerWaalsContact O-CD1 3.24Å; P295-L300 WeakPolarHBondContact O-CD1 3.29Å; P295-L303 HydrophobicContact CB-CD1 4.4Å; P295-F318 HydrophobicContact CG-CB 4.42Å; P295-F318 HydrophobicContact CG-CD1 3.54Å; P295-F318 HydrophobicContact CG-CD2 4.09Å; P295-F318 HydrophobicContact CG-CE1 3.73Å; P295-F318 HydrophobicContact CG-CE2 4.26Å; P295-F318 HydrophobicContact CG-CG 3.75Å; P295-F318 HydrophobicContact CG-CZ 4.1Å
296D93.9Very high94Very high72 Ų7279.7 Ų79.739%0.38541%0.412SS..  trans-84.9-175.5-177.3105.1-47.7000113.8K298 D299 L300D296-K298 VanDerWaalsContact C-N 3.27Å; D296-K298 VanDerWaalsContact CG-N 3.34Å; D296-K298 PolarHBondContact O-N 3.39Å; D296-K298 VanDerWaalsContact OD1-CA 3.29Å; D296-K298 WeakPolarHBondContact OD1-CA 3.43Å; D296-K298 VanDerWaalsContact OD1-CB 3.26Å; D296-K298 WeakPolarHBondContact OD1-CB 3.4Å; D296-K298 PolarHBondContact OD1-N 3.5Å; D296-K298 PolarHBondContact OD2-N 3.22Å; D296-D299 PolarHBondContact N-OD2 3.05Å; D296-D299 PolarHBondContact OD1-N 3.45Å; D296-L300 WeakPolarHBondContact O-CD1 3.31Å; D296-L300 PolarHBondContact O-N 3.43Å
297A93Very high93.9Very high63 Ų6373.7 Ų73.752%0.52139%0.387SS..THydrogen-bonded Turntrans-63.4-27.2179.300000114.5K311A297-K311 PolarHBondContact O-NZ 3.36Å
298K93.9Very high93.9Very high157 Ų15773.4 Ų73.468%0.68340%0.396SS*.THydrogen-bonded Turntrans-85.3-44.3177.1-56.3172.3179.7174.90111.2D296 L300 K301 Q302D296-K298 VanDerWaalsContact C-N 3.27Å; D296-K298 VanDerWaalsContact CG-N 3.34Å; D296-K298 PolarHBondContact O-N 3.39Å; D296-K298 VanDerWaalsContact OD1-CA 3.29Å; D296-K298 WeakPolarHBondContact OD1-CA 3.43Å; D296-K298 VanDerWaalsContact OD1-CB 3.26Å; D296-K298 WeakPolarHBondContact OD1-CB 3.4Å; D296-K298 PolarHBondContact OD1-N 3.5Å; D296-K298 PolarHBondContact OD2-N 3.22Å; K298-L300 VanDerWaalsContact C-N 3.32Å; K298-L300 PolarHBondContact O-N 3.39Å; K298-K301 WeakPolarHBondContact O-CA 3.19Å; K298-K301 WeakPolarHBondContact O-CB 3.38Å; K298-K301 PolarHBondContact O-N 2.92Å; K298-Q302 PolarHBondContact O-N 2.9Å
299D94.1Very high93.9Very high34 Ų3472.4 Ų72.418%0.18239%0.394CS..Hα-helixtrans-53.1-49.1173.3-70.7-54.3000110.9Y288 P295 D296 K301 Q302 L303Y288-D299 HydrophobicContact CE2-CB 4.38Å; Y288-D299 PolarHBondContact OH-OD1 3.46Å; Y288-D299 PolarHBondContact OH-OD2 3.35Å; P295-D299 HydrophobicContact CB-CB 3.58Å; D296-D299 PolarHBondContact N-OD2 3.05Å; D296-D299 PolarHBondContact OD1-N 3.45Å; D299-K301 PolarHBondContact O-N 2.93Å; D299-Q302 PolarHBondContact O-N 3.48Å; D299-L303 WeakPolarHBondContact O-CB 3.3Å; D299-L303 WeakPolarHBondContact O-CG 3.4Å; D299-L303 PolarHBondContact O-N 2.93Å
300L94.6Very high93.8Very high11 Ų1175.3 Ų75.36%0.05841%0.414CS..Hα-helixtrans-63.7-26.9176.6-88.5100.7000113.2P295 D296 K298 A304 K311 L314 Q315P295-L300 HydrophobicContact CB-CD1 3.79Å; P295-L300 HydrophobicContact CG-CD1 3.84Å; P295-L300 VanDerWaalsContact O-CD1 3.24Å; P295-L300 WeakPolarHBondContact O-CD1 3.29Å; D296-L300 WeakPolarHBondContact O-CD1 3.31Å; D296-L300 PolarHBondContact O-N 3.43Å; K298-L300 VanDerWaalsContact C-N 3.32Å; K298-L300 PolarHBondContact O-N 3.39Å; L300-A304 WeakPolarHBondContact O-CB 3.31Å; L300-A304 PolarHBondContact O-N 3.12Å; L300-K311 HydrophobicContact CB-CD 4.41Å; L300-K311 HydrophobicContact CB-CG 4.16Å; L300-K311 HydrophobicContact CD2-CG 3.83Å; L300-L314 HydrophobicContact CD2-CB 4.06Å; L300-Q315 HydrophobicContact CD2-CB 4.4Å; L300-Q315 HydrophobicContact CD2-CG 3.41Å; L300-Q315 VanDerWaalsContact CD2-CG 3.41Å
301K94.8Very high93.8Very high155 Ų15575.7 Ų75.767%0.67440%0.4SS*.Hα-helixtrans-71.9-45.6173.5-170.3-178.4178.4-176.60110.4K298 D299 A304 Q305K298-K301 WeakPolarHBondContact O-CA 3.19Å; K298-K301 WeakPolarHBondContact O-CB 3.38Å; K298-K301 PolarHBondContact O-N 2.92Å; D299-K301 PolarHBondContact O-N 2.93Å; K301-A304 PolarHBondContact O-N 3.32Å; K301-Q305 PolarHBondContact O-N 2.97Å
302Q94.7Very high93.9Very high99 Ų9978 Ų7846%0.46340%0.399SS..Hα-helixtrans-62.9-43.9175.2-65.6-167.237.800112.3K298 D299 A304 Q305 K306K298-Q302 PolarHBondContact O-N 2.9Å; D299-Q302 PolarHBondContact O-N 3.48Å; Q302-A304 VanDerWaalsContact C-N 3.35Å; Q302-Q305 PolarHBondContact O-N 3.26Å; Q302-K306 WeakPolarHBondContact O-CB 3.42Å; Q302-K306 WeakPolarHBondContact O-CG 3.4Å; Q302-K306 PolarHBondContact O-N 2.96Å
303L95.3Very high94.1Very high8 Ų878 Ų784%0.04240%0.401CS..Hα-helixtrans-66-36.4177.7-73.5166.8000111.7T284 Y288 P295 D299 K306 T307 L314 F318T284-L303 HydrophobicContact CG2-CD2 4.22Å; Y288-L303 HydrophobicContact CD1-CD1 4.07Å; Y288-L303 HydrophobicContact CD2-CD1 4.17Å; Y288-L303 HydrophobicContact CD2-CD2 4.22Å; Y288-L303 HydrophobicContact CD2-CG 4.41Å; Y288-L303 HydrophobicContact CG-CD1 3.93Å; Y288-L303 HydrophobicContact CG-CD2 4.15Å; Y288-L303 HydrophobicContact CG-CG 4.49Å; P295-L303 HydrophobicContact CB-CD1 4.4Å; D299-L303 WeakPolarHBondContact O-CB 3.3Å; D299-L303 WeakPolarHBondContact O-CG 3.4Å; D299-L303 PolarHBondContact O-N 2.93Å; L303-K306 PolarHBondContact O-N 3.42Å; L303-T307 WeakPolarHBondContact O-CB 3.39Å; L303-T307 WeakPolarHBondContact O-CG2 3.24Å; L303-T307 PolarHBondContact O-N 3.07Å; L303-T307 PolarHBondContact O-OG1 3.05Å; L303-L314 HydrophobicContact CB-CD1 3.76Å; L303-F318 HydrophobicContact CD1-CE2 3.91Å; L303-F318 HydrophobicContact CD1-CZ 3.91Å
304A96.3Very high94.2Very high23 Ų2374.6 Ų74.619%0.1939%0.386CS..Hα-helixtrans-62.1-49173.400000111L300 K301 Q302 K306 T307 G308 L309 L314L300-A304 WeakPolarHBondContact O-CB 3.31Å; L300-A304 PolarHBondContact O-N 3.12Å; K301-A304 PolarHBondContact O-N 3.32Å; Q302-A304 VanDerWaalsContact C-N 3.35Å; A304-K306 PolarHBondContact O-N 2.99Å; A304-T307 PolarHBondContact O-N 3.42Å; A304-G308 WeakPolarHBondContact O-CA 3.38Å; A304-G308 PolarHBondContact O-N 3.36Å; A304-L309 VanDerWaalsContact CA-O 3.31Å; A304-L309 WeakPolarHBondContact CA-O 3.39Å; A304-L309 VanDerWaalsContact CB-O 3.24Å; A304-L309 WeakPolarHBondContact CB-O 3.43Å; A304-L314 HydrophobicContact CB-CD1 3.95Å; A304-L314 VanDerWaalsContact N-CD1 3.31Å
305Q95.8Very high94.3Very high164 Ų16473.7 Ų73.777%0.76638%0.378SS*.Hα-helixtrans-61.1-42.4177.1-172175.8-2.900112.4K301 Q302K301-Q305 PolarHBondContact O-N 2.97Å; Q302-Q305 PolarHBondContact O-N 3.26Å
306K93Very high94.5Very high131 Ų13176.1 Ų76.157%0.5739%0.392SS*.Hα-helixtrans-74.8-20.5179.9-73.1171.6176.41690114.5T284 Q302 L303 A304T284-K306 HydrophobicContact CG2-CB 4.42Å; Q302-K306 WeakPolarHBondContact O-CB 3.42Å; Q302-K306 WeakPolarHBondContact O-CG 3.4Å; Q302-K306 PolarHBondContact O-N 2.96Å; L303-K306 PolarHBondContact O-N 3.42Å; A304-K306 PolarHBondContact O-N 2.99Å
307T94.1Very high94.6Very high10 Ų1074.5 Ų74.56%0.06138%0.381CS..Hα-helixtrans-115-13.6-176.362.50000114.8Q281 T284 M285 L303 A304 L309Q281-T307 WeakPolarHBondContact CG-O 3.22Å; Q281-T307 PolarHBondContact NE2-O 2.64Å; T284-T307 HydrophobicContact CG2-CG2 3.84Å; M285-T307 HydrophobicContact CG-CG2 4.47Å; L303-T307 WeakPolarHBondContact O-CB 3.39Å; L303-T307 WeakPolarHBondContact O-CG2 3.24Å; L303-T307 PolarHBondContact O-N 3.07Å; L303-T307 PolarHBondContact O-OG1 3.05Å; A304-T307 PolarHBondContact O-N 3.42Å; T307-L309 PolarHBondContact O-N 3.35Å; T307-L309 WeakPolarHBondContact OG1-CB 3.35Å; T307-L309 PolarHBondContact OG1-N 3.46Å
308G94.6Very high94.7Very high70 Ų7071.7 Ų71.772%0.72236%0.357SS*.THydrogen-bonded Turntrans67.315.1-170.500000113.8A304A304-G308 WeakPolarHBondContact O-CA 3.38Å; A304-G308 PolarHBondContact O-N 3.36Å
309L94.7Very high94.8Very high24 Ų2469.3 Ų69.313%0.12635%0.348CS..  trans-97.7141.3179.1-62.4175.8000110.8F277 Q281 M285 A304 T307 V313 L314F277-L309 HydrophobicContact CD1-CD1 3.75Å; F277-L309 HydrophobicContact CD1-CD2 4.07Å; F277-L309 HydrophobicContact CE1-CD1 3.77Å; F277-L309 HydrophobicContact CE1-CD2 4.08Å; Q281-L309 HydrophobicContact CB-CD1 4.16Å; Q281-L309 HydrophobicContact CG-CD1 4.46Å; M285-L309 HydrophobicContact CE-CD1 3.81Å; M285-L309 HydrophobicContact SD-CD1 3.88Å; A304-L309 VanDerWaalsContact CA-O 3.31Å; A304-L309 WeakPolarHBondContact CA-O 3.39Å; A304-L309 VanDerWaalsContact CB-O 3.24Å; A304-L309 WeakPolarHBondContact CB-O 3.43Å; T307-L309 PolarHBondContact O-N 3.35Å; T307-L309 WeakPolarHBondContact OG1-CB 3.35Å; T307-L309 PolarHBondContact OG1-N 3.46Å; L309-V313 HydrophobicContact CB-CG1 4.37Å; L309-V313 HydrophobicContact CD1-CG1 4.48Å; L309-V313 HydrophobicContact CD2-CG1 4.28Å; L309-L314 HydrophobicContact CB-CD2 4Å; L309-L314 HydrophobicContact CB-CG 4.04Å; L309-L314 HydrophobicContact CD1-CD2 3.9Å
310T94.9Very high94.8Very high91 Ų9172.5 Ų72.556%0.55837%0.365SS*.  trans-66.5150.8177.971.30000111.4R312 V313 L314T310-R312 PolarHBondContact O-N 3Å; T310-R312 VanDerWaalsContact O-N 3.12Å; T310-V313 PolarHBondContact O-N 2.98Å; T310-V313 WeakPolarHBondContact OG1-CG2 3.36Å; T310-V313 PolarHBondContact OG1-N 3.48Å; T310-L314 PolarHBondContact O-N 2.81Å; T310-L314 VanDerWaalsContact O-N 3.07Å
311K92.6Very high94.8Very high91 Ų9172.8 Ų72.840%0.39637%0.369SS..Hα-helixtrans-50.6-39.7178.5-174.5163.3-177.8169.30112.4A297 L300 L314 Q315A297-K311 PolarHBondContact O-NZ 3.36Å; L300-K311 HydrophobicContact CB-CD 4.41Å; L300-K311 HydrophobicContact CB-CG 4.16Å; L300-K311 HydrophobicContact CD2-CG 3.83Å; K311-L314 PolarHBondContact O-N 2.97Å; K311-Q315 VanDerWaalsContact O-CG 3.3Å; K311-Q315 WeakPolarHBondContact O-CG 3.36Å; K311-Q315 PolarHBondContact O-N 2.85Å
312R93.6Very high94.9Very high192 Ų19268.2 Ų68.273%0.72535%0.348SS*.Hα-helixtrans-66-40.4177.2-168.8178.7-177.998.6-2.7113.1T310 L314 Q315 V316T310-R312 PolarHBondContact O-N 3Å; T310-R312 VanDerWaalsContact O-N 3.12Å; R312-L314 VanDerWaalsContact C-N 3.35Å; R312-Q315 PolarHBondContact O-N 2.81Å; R312-V316 WeakPolarHBondContact O-CG2 3.36Å; R312-V316 PolarHBondContact O-N 3.4Å
313V94.5Very high94.8Very high52 Ų5265.1 Ų65.132%0.31534%0.339SS..Hα-helixtrans-65.8-40.2177170.10000110.8F277 L309 T310 V316 W317F277-V313 HydrophobicContact CE1-CG1 3.55Å; F277-V313 HydrophobicContact CZ-CG1 3.87Å; L309-V313 HydrophobicContact CB-CG1 4.37Å; L309-V313 HydrophobicContact CD1-CG1 4.48Å; L309-V313 HydrophobicContact CD2-CG1 4.28Å; T310-V313 PolarHBondContact O-N 2.98Å; T310-V313 WeakPolarHBondContact OG1-CG2 3.36Å; T310-V313 PolarHBondContact OG1-N 3.48Å; V313-V316 PolarHBondContact O-N 2.98Å; V313-W317 WeakPolarHBondContact O-CB 3.39Å; V313-W317 PolarHBondContact O-N 3.21Å
314L95.4Very high94.7Very high0 Ų070.7 Ų70.70%036%0.363CS..Hα-helixtrans-64.7-45.4173.4-65.8174.6000112.1M285 L300 L303 A304 L309 T310 K311 R312 V316 W317 F318M285-L314 HydrophobicContact CG-CD2 3.95Å; M285-L314 HydrophobicContact SD-CD2 3.45Å; M285-L314 WeakPolarHBondContact SD-CD2 3.18Å; L300-L314 HydrophobicContact CD2-CB 4.06Å; L303-L314 HydrophobicContact CB-CD1 3.76Å; A304-L314 HydrophobicContact CB-CD1 3.95Å; A304-L314 VanDerWaalsContact N-CD1 3.31Å; L309-L314 HydrophobicContact CB-CD2 4Å; L309-L314 HydrophobicContact CB-CG 4.04Å; L309-L314 HydrophobicContact CD1-CD2 3.9Å; T310-L314 PolarHBondContact O-N 2.81Å; T310-L314 VanDerWaalsContact O-N 3.07Å; K311-L314 PolarHBondContact O-N 2.97Å; R312-L314 VanDerWaalsContact C-N 3.35Å; L314-V316 VanDerWaalsContact C-N 3.32Å; L314-V316 PolarHBondContact O-N 2.96Å; L314-W317 PolarHBondContact O-N 3.11Å; L314-W317 VanDerWaalsContact O-N 3.13Å; L314-F318 WeakPolarHBondContact O-CD2 3.48Å; L314-F318 PolarHBondContact O-N 2.91Å
315Q95.1Very high94.4Very high84 Ų8474 Ų7439%0.39337%0.373SS..Hα-helixtrans-52.7-49.9174.3-74.9170.1-31.500111.5L300 K311 R312 W317 F318 Q319L300-Q315 HydrophobicContact CD2-CB 4.4Å; L300-Q315 HydrophobicContact CD2-CG 3.41Å; L300-Q315 VanDerWaalsContact CD2-CG 3.41Å; K311-Q315 VanDerWaalsContact O-CG 3.3Å; K311-Q315 WeakPolarHBondContact O-CG 3.36Å; K311-Q315 PolarHBondContact O-N 2.85Å; R312-Q315 PolarHBondContact O-N 2.81Å; Q315-W317 PolarHBondContact O-N 3.48Å; Q315-F318 PolarHBondContact O-N 3.1Å; Q315-Q319 WeakPolarHBondContact O-CB 3.48Å; Q315-Q319 WeakPolarHBondContact O-CG 3.24Å; Q315-Q319 PolarHBondContact O-N 2.87Å
316V95.2Very high94.2Very high67 Ų6774 Ų7441%0.40637%0.366SS..Hα-helixtrans-65.6-37.3179.11730000111.6R312 V313 L314 N320R312-V316 WeakPolarHBondContact O-CG2 3.36Å; R312-V316 PolarHBondContact O-N 3.4Å; V313-V316 PolarHBondContact O-N 2.98Å; L314-V316 VanDerWaalsContact C-N 3.32Å; L314-V316 PolarHBondContact O-N 2.96Å; V316-N320 WeakPolarHBondContact CG1-ND2 3.05Å; V316-N320 WeakPolarHBondContact O-CB 3.05Å; V316-N320 PolarHBondContact O-N 3.35Å; V316-N320 PolarHBondContact O-ND2 2.93Å
317W95.5Very high93.8Very high39 Ų3975.6 Ų75.615%0.14837%0.369CS..Hα-helixtrans-63.5-50.2175.2-170.298.5000111.6F277 M285 K286 F289 V313 L314 Q315 Q319 N320 A321F277-W317 AromaticContact CE2-CD1 3.74Å; F277-W317 AromaticContact CZ-CD1 3.98Å; M285-W317 HydrophobicContact CB-CD2 4.11Å; M285-W317 HydrophobicContact CB-CE3 3.96Å; M285-W317 HydrophobicContact CB-CH2 3.71Å; M285-W317 HydrophobicContact CB-CZ2 3.82Å; M285-W317 HydrophobicContact CB-CZ3 3.77Å; M285-W317 HydrophobicContact CE-CD2 4.18Å; M285-W317 HydrophobicContact CE-CG 4.05Å; M285-W317 HydrophobicContact CG-CD2 4.46Å; M285-W317 HydrophobicContact CG-CE3 4.48Å; M285-W317 HydrophobicContact SD-CB 4.08Å; M285-W317 HydrophobicContact SD-CD2 3.64Å; M285-W317 HydrophobicContact SD-CE3 4.11Å; M285-W317 HydrophobicContact SD-CG 3.6Å; M285-W317 VanDerWaalsContact SD-CG 3.6Å; K286-W317 HydrophobicContact CG-CH2 4.15Å; K286-W317 HydrophobicContact CG-CZ2 4.15Å; F289-W317 HydrophobicContact CB-CH2 4.35Å; F289-W317 HydrophobicContact CB-CZ3 4.19Å; F289-W317 HydrophobicContact CD2-CZ3 4.18Å; F289-W317 HydrophobicContact CG-CZ3 4.44Å; V313-W317 WeakPolarHBondContact O-CB 3.39Å; V313-W317 PolarHBondContact O-N 3.21Å; L314-W317 PolarHBondContact O-N 3.11Å; L314-W317 VanDerWaalsContact O-N 3.13Å; Q315-W317 PolarHBondContact O-N 3.48Å; W317-Q319 PolarHBondContact O-N 3.37Å; W317-N320 PolarHBondContact O-N 3.04Å; W317-A321 HydrophobicContact CE3-CB 4.1Å; W317-A321 HydrophobicContact CH2-CB 4.25Å; W317-A321 HydrophobicContact CZ3-CB 3.85Å; W317-A321 WeakPolarHBondContact O-CB 3.31Å; W317-A321 PolarHBondContact O-N 3.32Å
318F96.6Very high93.2Very high3 Ų379.4 Ų79.41%0.01339%0.389CS..Hα-helixtrans-66.6-36.4-179.7-85.6-90.8000112.6M285 Y288 F289 P295 L303 L314 Q315 A321 R322M285-F318 HydrophobicContact CG-CE2 4.46Å; Y288-F318 AromaticContact CD1-CE1 3.9Å; Y288-F318 HydrophobicContact CD1-CE1 3.9Å; Y288-F318 AromaticContact CD1-CZ 3.85Å; Y288-F318 HydrophobicContact CD1-CZ 3.85Å; Y288-F318 HydrophobicContact CG-CZ 4.48Å; F289-F318 HydrophobicContact CB-CE1 4.07Å; F289-F318 AromaticContact CD2-CD1 3.69Å; F289-F318 HydrophobicContact CD2-CD1 3.69Å; F289-F318 AromaticContact CD2-CE1 3.78Å; F289-F318 HydrophobicContact CD2-CE1 3.78Å; F289-F318 HydrophobicContact CE2-CD1 4.35Å; F289-F318 HydrophobicContact CG-CE1 4.43Å; P295-F318 HydrophobicContact CG-CB 4.42Å; P295-F318 HydrophobicContact CG-CD1 3.54Å; P295-F318 HydrophobicContact CG-CD2 4.09Å; P295-F318 HydrophobicContact CG-CE1 3.73Å; P295-F318 HydrophobicContact CG-CE2 4.26Å; P295-F318 HydrophobicContact CG-CG 3.75Å; P295-F318 HydrophobicContact CG-CZ 4.1Å; L303-F318 HydrophobicContact CD1-CE2 3.91Å; L303-F318 HydrophobicContact CD1-CZ 3.91Å; L314-F318 WeakPolarHBondContact O-CD2 3.48Å; L314-F318 PolarHBondContact O-N 2.91Å; Q315-F318 PolarHBondContact O-N 3.1Å; F318-A321 PolarHBondContact O-N 3.24Å; F318-R322 WeakPolarHBondContact O-CG 3.46Å; F318-R322 PolarHBondContact O-N 3.1Å
319Q94.7Very high92.4Very high107 Ų10778.6 Ų78.650%0.537%0.369SS..Hα-helixtrans-59.1-48.2170.6-75.2167.50.500111.7Q315 W317 R322 A323Q315-Q319 WeakPolarHBondContact O-CB 3.48Å; Q315-Q319 WeakPolarHBondContact O-CG 3.24Å; Q315-Q319 PolarHBondContact O-N 2.87Å; W317-Q319 PolarHBondContact O-N 3.37Å; Q319-R322 PolarHBondContact O-N 3.26Å; Q319-A323 WeakPolarHBondContact O-CB 3.33Å; Q319-A323 PolarHBondContact O-N 2.91Å
320N95.6Very high90.9Very high101 Ų10182.8 Ų82.854%0.5439%0.391SS..Hα-helixtrans-66.3-36.8177.5-79.9-64.7000112.6V316 W317 A323 K324V316-N320 WeakPolarHBondContact CG1-ND2 3.05Å; V316-N320 WeakPolarHBondContact O-CB 3.05Å; V316-N320 PolarHBondContact O-N 3.35Å; V316-N320 PolarHBondContact O-ND2 2.93Å; W317-N320 PolarHBondContact O-N 3.04Å; N320-A323 PolarHBondContact O-N 2.95Å; N320-K324 PolarHBondContact O-N 3.19Å
321A94.4Very high89.5Confident18 Ų1887 Ų8715%0.14940%0.397CS..Hα-helixtrans-62.3-49.117500000111.2F289 W317 F318 A323 K324 F325F289-A321 HydrophobicContact CD2-CB 3.76Å; F289-A321 HydrophobicContact CE2-CB 3.47Å; F289-A321 VanDerWaalsContact CE2-CB 3.47Å; F289-A321 HydrophobicContact CG-CB 4.5Å; F289-A321 HydrophobicContact CZ-CB 3.99Å; W317-A321 HydrophobicContact CE3-CB 4.1Å; W317-A321 HydrophobicContact CH2-CB 4.25Å; W317-A321 HydrophobicContact CZ3-CB 3.85Å; W317-A321 WeakPolarHBondContact O-CB 3.31Å; W317-A321 PolarHBondContact O-N 3.32Å; F318-A321 PolarHBondContact O-N 3.24Å; A321-A323 VanDerWaalsContact C-N 3.35Å; A321-A323 PolarHBondContact O-N 3.19Å; A321-K324 PolarHBondContact O-N 3.28Å; A321-K324 VanDerWaalsContact O-N 3.14Å; A321-F325 PolarHBondContact O-N 2.74Å
322R95.5Very high87.8Confident59 Ų5988.1 Ų88.122%0.22340%0.404CS..Hα-helixtrans-60.8-40.3173.3-69.7-167.6-64.8-93.510.3112.9F289 H293 N294 F318 Q319 K324 F325 R326F289-R322 HydrophobicContact CE2-CG 3.87Å; F289-R322 HydrophobicContact CZ-CG 4.19Å; H293-R322 HydrophobicContact CB-CG 4.37Å; H293-R322 VanDerWaalsContact O-CD 3.31Å; H293-R322 WeakPolarHBondContact O-CD 3.38Å; H293-R322 PolarHBondContact O-NH1 3.4Å; N294-R322 WeakPolarHBondContact OD1-CD 3.39Å; N294-R322 PolarHBondContact OD1-NE 3.07Å; N294-R322 VanDerWaalsContact OD1-NE 3.1Å; N294-R322 PolarHBondContact OD1-NH1 2.82Å; F318-R322 WeakPolarHBondContact O-CG 3.46Å; F318-R322 PolarHBondContact O-N 3.1Å; Q319-R322 PolarHBondContact O-N 3.26Å; R322-K324 VanDerWaalsContact C-N 3.28Å; R322-K324 PolarHBondContact O-N 2.98Å; R322-F325 PolarHBondContact O-N 2.82Å; R322-R326 PolarHBondContact O-N 2.95Å
323A92.9Very high85.8Confident34 Ų3485.8 Ų85.828%0.28140%0.401SS..Hα-helixtrans-69.3-22.8176.800000113.4Q319 N320 A321 R327Q319-A323 WeakPolarHBondContact O-CB 3.33Å; Q319-A323 PolarHBondContact O-N 2.91Å; N320-A323 PolarHBondContact O-N 2.95Å; A321-A323 VanDerWaalsContact C-N 3.35Å; A321-A323 PolarHBondContact O-N 3.19Å; A323-R327 PolarHBondContact O-NE 3.18Å
324K92.8Very high83.7Confident125 Ų12590 Ų9054%0.54342%0.422SS..Hα-helixtrans-78.1-46.6166.3-172-179177.4-175.40110.9N320 A321 R322 R326 R327 N328N320-K324 PolarHBondContact O-N 3.19Å; A321-K324 PolarHBondContact O-N 3.28Å; A321-K324 VanDerWaalsContact O-N 3.14Å; R322-K324 VanDerWaalsContact C-N 3.28Å; R322-K324 PolarHBondContact O-N 2.98Å; K324-R326 PolarHBondContact O-N 3.04Å; K324-R327 PolarHBondContact O-N 2.97Å; K324-R327 VanDerWaalsContact O-N 3.14Å; K324-N328 PolarHBondContact O-N 3.21Å; K324-N328 PolarHBondContact O-OD1 2.83Å
325F91.5Very high81.4Confident92 Ų9293 Ų9340%0.40445%0.453SS..Hα-helixtrans-54.7-51.1-180-175.1-98.2000112.1F289 H293 A321 R322 R327 N328 V329F289-F325 HydrophobicContact CE1-CD2 4.49Å; F289-F325 HydrophobicContact CZ-CB 4.27Å; H293-F325 AromaticContact CE1-CD1 4Å; H293-F325 AromaticContact CE1-CE1 3.71Å; H293-F325 AromaticContact CE1-CE2 3.91Å; H293-F325 AromaticContact CE1-CZ 3.67Å; A321-F325 PolarHBondContact O-N 2.74Å; R322-F325 PolarHBondContact O-N 2.82Å; F325-R327 VanDerWaalsContact C-N 3.3Å; F325-R327 PolarHBondContact O-N 2.93Å; F325-N328 WeakPolarHBondContact O-CB 3.43Å; F325-N328 PolarHBondContact O-N 2.93Å; F325-V329 HydrophobicContact CD1-CG2 4.06Å; F325-V329 HydrophobicContact CE1-CG2 3.63Å; F325-V329 HydrophobicContact CE2-CG2 4.31Å; F325-V329 HydrophobicContact CZ-CG2 3.77Å; F325-V329 WeakPolarHBondContact O-CG2 3.49Å; F325-V329 PolarHBondContact O-N 2.93Å
326R91Very high78.6Confident164 Ų16492.7 Ų92.762%0.61945%0.454SS*.Hα-helixtrans-59.8-35.1177.8-68.1-163.5-58-973.8114R322 K324 L330R322-R326 PolarHBondContact O-N 2.95Å; K324-R326 PolarHBondContact O-N 3.04Å; R326-L330 WeakPolarHBondContact O-CB 3.34Å; R326-L330 PolarHBondContact O-N 2.93Å
327R84.6Confident75.9Confident164 Ų16497.4 Ų97.462%0.61948%0.477SS*.Hα-helixtrans-73.3-32.2175.5-75.2-178.5-66.8136.6-3.6112.6A323 K324 F325 R331A323-R327 PolarHBondContact O-NE 3.18Å; K324-R327 PolarHBondContact O-N 2.97Å; K324-R327 VanDerWaalsContact O-N 3.14Å; F325-R327 VanDerWaalsContact C-N 3.3Å; F325-R327 PolarHBondContact O-N 2.93Å; R327-R331 WeakPolarHBondContact O-CB 3.29Å; R327-R331 PolarHBondContact O-N 2.78Å
328N81.1Confident73.7Confident90 Ų90105.2 Ų105.248%0.48151%0.512SS..Hα-helixtrans-68.3-45.2172.3-82.137.9000111K324 F325 R331 Q332K324-N328 PolarHBondContact O-N 3.21Å; K324-N328 PolarHBondContact O-OD1 2.83Å; F325-N328 WeakPolarHBondContact O-CB 3.43Å; F325-N328 PolarHBondContact O-N 2.93Å; N328-R331 PolarHBondContact O-N 3.31Å; N328-Q332 PolarHBondContact O-N 3.37Å; N328-Q332 VanDerWaalsContact O-N 3.08Å
329V77.6Confident70.8Confident53 Ų53108.9 Ų108.932%0.32154%0.543SS..Hα-helixtrans-61.3-50.6176.3174.20000110.8F325 R331 Q332 E333F325-V329 HydrophobicContact CD1-CG2 4.06Å; F325-V329 HydrophobicContact CE1-CG2 3.63Å; F325-V329 HydrophobicContact CE2-CG2 4.31Å; F325-V329 HydrophobicContact CZ-CG2 3.77Å; F325-V329 WeakPolarHBondContact O-CG2 3.49Å; F325-V329 PolarHBondContact O-N 2.93Å; V329-R331 PolarHBondContact O-N 3.37Å; V329-Q332 CarbonylContact O-C 3.59Å; V329-Q332 WeakPolarHBondContact O-CA 3.4Å; V329-Q332 WeakPolarHBondContact O-CB 3.47Å; V329-Q332 PolarHBondContact O-N 3.01Å; V329-E333 HydrophobicContact CG1-CG 4.15Å; V329-E333 WeakPolarHBondContact O-CG 3.26Å; V329-E333 PolarHBondContact O-N 3.23Å
330L63.1Low68Low112 Ų112112.1 Ų112.159%0.58656%0.563SS**Hα-helixtrans-57.7-35.4177.2-175.263000112.6R326 Q332 N334R326-L330 WeakPolarHBondContact O-CB 3.34Å; R326-L330 PolarHBondContact O-N 2.93Å; L330-Q332 VanDerWaalsContact C-N 3.26Å; L330-Q332 PolarHBondContact O-N 2.75Å; L330-N334 WeakPolarHBondContact O-CB 3.29Å; L330-N334 PolarHBondContact O-N 3.5Å; L330-N334 VanDerWaalsContact O-N 3.16Å; L330-N334 PolarHBondContact O-OD1 2.86Å; L330-N334 VanDerWaalsContact O-OD1 3.12Å
331R66.3Low65Low181 Ų181110.1 Ų110.168%0.68357%0.567SS**Hα-helixtrans-72.1-17.1174.1-173.6174.5179-79.5-1.8113.5R327 N328 V329R327-R331 WeakPolarHBondContact O-CB 3.29Å; R327-R331 PolarHBondContact O-N 2.78Å; N328-R331 PolarHBondContact O-N 3.31Å; V329-R331 PolarHBondContact O-N 3.37Å
332Q56.5Low62.1Low114 Ų114115.6 Ų115.653%0.53360%0.599SS.*Hα-helixtrans-92.1-41175.4-170.5166.22.400111.4N328 V329 L330 N334 G335 N336N328-Q332 PolarHBondContact O-N 3.37Å; N328-Q332 VanDerWaalsContact O-N 3.08Å; V329-Q332 CarbonylContact O-C 3.59Å; V329-Q332 WeakPolarHBondContact O-CA 3.4Å; V329-Q332 WeakPolarHBondContact O-CB 3.47Å; V329-Q332 PolarHBondContact O-N 3.01Å; L330-Q332 VanDerWaalsContact C-N 3.26Å; L330-Q332 PolarHBondContact O-N 2.75Å; Q332-N334 VanDerWaalsContact C-N 3.27Å; Q332-N334 PolarHBondContact O-N 3Å; Q332-G335 CarbonylContact O-C 3.54Å; Q332-G335 VanDerWaalsContact O-C 3.32Å; Q332-G335 WeakPolarHBondContact O-CA 3.45Å; Q332-G335 PolarHBondContact O-N 3.07Å; Q332-N336 HydrophobicContact CG-CB 4.29Å; Q332-N336 VanDerWaalsContact O-CB 3.29Å; Q332-N336 WeakPolarHBondContact O-CB 3.42Å; Q332-N336 PolarHBondContact O-N 3.36Å
333E52Low59.4Low142 Ų142118.1 Ų118.166%0.66463%0.625SS**Hα-helixtrans-54.5-45169.7-61.3-67.597.300110.7V329 G335V329-E333 HydrophobicContact CG1-CG 4.15Å; V329-E333 WeakPolarHBondContact O-CG 3.26Å; V329-E333 PolarHBondContact O-N 3.23Å; E333-G335 PolarHBondContact O-N 2.76Å
334N49.3Very low56.6Low140 Ų140124.2 Ų124.275%0.74965%0.652SS**THydrogen-bonded Turntrans-71.616.1173-78.7109000114.8L330 Q332L330-N334 WeakPolarHBondContact O-CB 3.29Å; L330-N334 PolarHBondContact O-N 3.5Å; L330-N334 VanDerWaalsContact O-N 3.16Å; L330-N334 PolarHBondContact O-OD1 2.86Å; L330-N334 VanDerWaalsContact O-OD1 3.12Å; Q332-N334 VanDerWaalsContact C-N 3.27Å; Q332-N334 PolarHBondContact O-N 3Å
335G48.4Very low54.2Low64 Ų64123.6 Ų123.666%0.6666%0.661SS**THydrogen-bonded Turntrans-159.715.1-174.200000117.2Q332 E333Q332-G335 CarbonylContact O-C 3.54Å; Q332-G335 VanDerWaalsContact O-C 3.32Å; Q332-G335 WeakPolarHBondContact O-CA 3.45Å; Q332-G335 PolarHBondContact O-N 3.07Å; E333-G335 PolarHBondContact O-N 2.76Å
336N36.8Very low52Low78 Ų78124.9 Ų124.942%0.41768%0.679SS.*  trans-124.324.9-173.9-151.7100.4000115.1Q332 K338Q332-N336 HydrophobicContact CG-CB 4.29Å; Q332-N336 VanDerWaalsContact O-CB 3.29Å; Q332-N336 WeakPolarHBondContact O-CB 3.42Å; Q332-N336 PolarHBondContact O-N 3.36Å; N336-K338 PolarHBondContact O-N 3.18Å
337D37.7Very low49.6Very low166 Ų166123.3 Ų123.389%0.88869%0.69SS**SBendtrans-77.756.3160.9-84.7-55.8000111.5
338K48.3Very low47.3Very low203 Ų203121.6 Ų121.688%0.88370%0.702SS**SBendtrans171.186.5158-101.6170.9-179.6178.90111.7N336N336-K338 PolarHBondContact O-N 3.18Å
339A37Very low45.4Very low79 Ų79122.9 Ų122.965%0.65372%0.718SS**  trans-169.787.215200000111.6
340D35.1Very low43.1Very low175 Ų175127.9 Ų127.994%0.93674%0.744SS**  trans-146.8151.8140.4-166.6-103.2000108.4
341G33.9Very low42Very low59 Ų59128 Ų12861%0.60875%0.754SS**  trans146.679.2-17500000115
342T33.6Very low40.3Very low134 Ų134123.3 Ų123.382%0.82276%0.762SS**  trans76.3123.1158.6-51.40000118.5
343S38.8Very low39.2Very low111 Ų111122.5 Ų122.578%0.77677%0.774SS**  trans-112.4138.6168.951.20000111.1
344L32.9Very low38.2Very low163 Ų163123.8 Ų123.885%0.85379%0.785SS**  trans-145.2154.7167.2-79.7-178.1000111.1
345P42.3Very low37.8Very low112 Ų112123 Ų12373%0.72779%0.786SS**PPolyproline II helixtrans-85.3170.1-170.834.9-36.7000114.6
346P45.2Very low38.4Very low119 Ų119125.5 Ų125.577%0.77379%0.79SS**PPolyproline II helixtrans-95.3160-165.637.4-36.6000115.3
347P40.4Very low39.4Very low131 Ų131126.8 Ų126.885%0.85180%0.803SS**PPolyproline II helixtrans-85.5148.116535.1-33000112.3
348S36.7Very low39.1Very low127 Ų127124.2 Ų124.289%0.88880%0.798SS**PPolyproline II helixtrans-102.5154.5169.450.20000111.8
349S41.4Very low38.3Very low117 Ų117120.1 Ų120.182%0.81879%0.794SS**PPolyproline II helixtrans-98.9144.7-177.354.30000113.2
350D30Very low38.1Very low159 Ų159121.2 Ų121.285%0.8580%0.804SS**  trans-156.4177133.8-156.47.2000111.4
351S40Very low37.9Very low114 Ų114117 Ų11780%0.79779%0.793SS**  trans-143135.6-179.7-66.30000112.5
352G30.7Very low37.7Very low83 Ų83120.2 Ų120.286%0.85680%0.801SS**  trans-171.5147.6175.200000111.7
353A32.5Very low37.6Very low96 Ų96120.6 Ų120.679%0.79380%0.798SS**  trans-120.4159-17600000111.7
354L31.7Very low37.4Very low169 Ų169121.1 Ų121.189%0.88580%0.796SS**  trans-176.5167.8131.1-97.1169.9000110.8
355T39.4Very low37.1Very low125 Ų125119.6 Ų119.677%0.76779%0.789SS**  trans-147.8178.1-169.6510000109.7
356P61.3Low36.5Very low115 Ų115120.8 Ų120.875%0.74779%0.788SS**  cis-125-126.3-41.936.8-17.4000107.9
357P57.8Low36.1Very low105 Ų105121.9 Ų121.968%0.68279%0.793SS**  cis-122.5173.5-46.738.1-24.5000113.6
358S31.7Very low35.6Very low113 Ų113122.8 Ų122.879%0.7979%0.791SS**  177.3151.7119-79.60000114.9
359S32.6Very low36.3Very low116 Ų116121.4 Ų121.481%0.81178%0.779SS**  trans-47.5157.516746.30000114.5
360A31.7Very low35.8Very low103 Ų103120.7 Ų120.785%0.85177%0.774SS**  cis-153.6-168.248.800000114.5
361A30.3Very low35.9Very low86 Ų86119.8 Ų119.871%0.71177%0.767SS**  trans-139.9167.1-168.800000114.2
362T31.2Very low35.4Very low126 Ų126120.1 Ų120.177%0.77377%0.765SS**  trans88.6142.4153.2-5.70000120.4
363L30.1Very low35.3Very low143 Ų143121.8 Ų121.875%0.74976%0.758SS**  trans78.7119.6156.4-58.5-178.4000121.5
364T34.7Very low35.1Very low122 Ų122123.1 Ų123.175%0.74876%0.756SS**  trans62156.5134.860.60000119.6
365D27.5Very low34.9Very low131 Ų131121 Ų12170%0.70175%0.751SS**  cis-143.2-161.2-1.6-155.2-111.3000111.4
366L29.5Very low34.5Very low136 Ų136120.6 Ų120.671%0.71275%0.753SS**  trans-61.4139.6173.6-78.756.1000112.1
367T36.4Very low33.1Very low143 Ų143121 Ų12188%0.87775%0.753SS**  -173.5130108.5210000114
368N30.7Very low31.9Very low149 Ų149122.9 Ų122.980%0.79776%0.762SS**  trans-84.8170.6150.3-144.823.4000106.4
369P51.3Low31.9Very low98 Ų98122.6 Ų122.664%0.63676%0.761SS**  cis-141.3-16911.139.2-17.2000116.2
370S30.4Very low31.9Very low103 Ų103122 Ų12272%0.7276%0.757SS**  trans98.9145.4148.3-63.30000118.8
371I32.4Very low32Very low139 Ų139124.5 Ų124.571%0.71376%0.755SS**  cis174.5144.1-31.1-108.3-84.4000105.6
372T30.4Very low32.1Very low121 Ų121126.1 Ų126.174%0.74275%0.752SS**  trans62.2158.9167.445.70000119.1
373V27.4Very low32.1Very low119 Ų119125.1 Ų125.172%0.72175%0.75SS**  cis-167.4174.9-35.7107.50000109.1
374V27.9Very low32.3Very low123 Ų123126.1 Ų126.175%0.74575%0.75SS**  trans60.6137.5177.8-68.40000116.5
375T28.1Very low32.2Very low126 Ų126127 Ų12777%0.77375%0.751SS**  cis77.9104.234.7-50.30000114.5
376S31.1Very low32.4Very low116 Ų116125.5 Ų125.581%0.81175%0.75SS**  -178.3162.5121.742.70000114
377V31.1Very low32.4Very low124 Ų124122.7 Ų122.775%0.75275%0.754SS**  trans-36.7153.6178.3-65.20000119.1
378T32.8Very low32.3Very low143 Ų143121.5 Ų121.588%0.87775%0.752SS**  -143.1152.6117.347.60000110.6
379S31.9Very low33.2Very low108 Ų108120.1 Ų120.176%0.75575%0.75SS**  trans-140.5144.4171.3-500000107.6
380S32.7Very low32.4Very low104 Ų104120.1 Ų120.173%0.72775%0.753SS**  trans163.3136.6146.4-82.60000114.1
381L33.9Very low32.6Very low154 Ų154124 Ų12481%0.80676%0.76SS**  53.1151.3124.8-55.2172000120.6
382D31.8Very low32.9Very low121 Ų121124.4 Ų124.465%0.64777%0.769SS**  cis-169.2176.2-22.1-166.2-97000107.5H384D382-H384 IonicContact OD1-CD2 3.43Å
383S31Very low33.4Very low105 Ų105125.3 Ų125.373%0.73478%0.775SS**  trans128103.5155.7-53.80000116
384H34.2Very low33.9Very low164 Ų164126.8 Ų126.876%0.75978%0.777SS**  2.3155112.3-67.4-80.7000118.5D382D382-H384 IonicContact OD1-CD2 3.43Å
385D32.6Very low34.6Very low141 Ų141126.2 Ų126.275%0.75478%0.775SS**  cis-169.6-165.7-16.4-165.4-140.1000104.9
386S32.6Very low35Very low98 Ų98126.3 Ų126.369%0.68577%0.77SS**  cis-157.61629.2-59.10000111
387G29.7Very low35.3Very low77 Ų77127.1 Ų127.179%0.79477%0.765SS**  trans96.5128.3138.600000120.3
388S34.5Very low35.9Very low119 Ų119133.7 Ų133.783%0.83278%0.784SS**  trans-102.1166.9158-530000110.4
389P49.3Very low36Very low119 Ų119133.3 Ų133.377%0.77378%0.779SS**  -151.4158.211137.6-21000118
390S34.2Very low36.2Very low99 Ų99134.6 Ų134.669%0.69278%0.78SS**  trans56.3108.6141.2-63.60000123.9
391Q35.2Very low36.4Very low183 Ų183136.3 Ų136.386%0.85578%0.783SS**  46.9125.4120.1-61.3-176.893.400121.9
392T38.7Very low36.6Very low148 Ų148135.2 Ų135.291%0.90878%0.782SS**  trans-139.5153.7142.839.30000113.8
393T41.2Very low36.9Very low141 Ų141136.1 Ų136.187%0.86579%0.791SS**  trans-58.2164-164.6-49.10000119.4
394L38.1Very low37.3Very low149 Ų149138.2 Ų138.278%0.7879%0.794SS**  trans-78177.8177.4-104.5170.3000115.9
395T41.8Very low37.5Very low112 Ų112136.4 Ų136.469%0.68780%0.797SS**  trans72.3150159.7400000117.7
396N36.3Very low37.9Very low127 Ų127136 Ų13668%0.67980%0.8SS**  cis-156.1155.913.6-133.5-17000112.9
397L38.6Very low38.3Very low133 Ų133139.2 Ų139.270%0.69681%0.81SS**  trans56.8140.4157.8-60.1160.6000118.1
398F42.4Very low39.1Very low263 Ų263144.8 Ų144.8100%1.15481%0.811SS**  cis-124.6015.1-93.5-97.3000112.6

Retrieved 398 of 398 residues in 852.1 ms (Link to these results)