A0A096N5L9_PAPAN Loading...

Zinc finger protein 395

AlphaFold DB , UniProt , Accession A0A096N5L9, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF395, Length 512 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.9Very low40.8Very low250 Ų250162.9 Ų162.9100%1.23287%0.868SS**  0157.60-62.3178-171.300108.5
2A35.8Very low41Very low94 Ų94168.6 Ų168.678%0.77787%0.868SS**  trans-76.6142.8-167.600000113.9V4A2-V4 HydrophobicContact CB-CG2 4.5Å
3S34.8Very low41Very low114 Ų114163.8 Ų163.880%0.79786%0.859SS**  trans-103115.4163.5-174.80000108.7L5S3-L5 PolarHBondContact O-N 3.18Å
4V44.7Very low41.3Very low122 Ų122163.2 Ų163.274%0.73986%0.856SS**  trans-97.396.1-172.3-179.20000110.7A2 S6A2-V4 HydrophobicContact CB-CG2 4.5Å; V4-S6 PolarHBondContact O-N 3.17Å
5L42.8Very low41.2Very low164 Ų164163.5 Ų163.586%0.85986%0.857SS**  trans-74.6112.5165.3-66.9175.2000109.7S3S3-L5 PolarHBondContact O-N 3.18Å
6S34.9Very low40.9Very low105 Ų105158.6 Ų158.673%0.73486%0.858SS**  trans-114.9117174.2-162.70000111.4V4V4-S6 PolarHBondContact O-N 3.17Å
7R44.9Very low40.8Very low231 Ų231155.1 Ų155.187%0.87286%0.856SS**  trans-89.8137.7-179.7-60176.7175.8-157.8-1.4110.3
8R45Very low41.3Very low249 Ų249160.4 Ų160.494%0.9486%0.861SS**  trans-134.8107.7156.6-72.8-166.2178.3-111.4-1.9111.7
9L45.8Very low41Very low177 Ų177159.3 Ų159.393%0.92786%0.86SS**  trans-86.3144.7163.1-80.3160000109.4
10G33.3Very low40.7Very low72 Ų72160.1 Ų160.174%0.74286%0.863SS**  trans153.7140.8173.400000111.2
11K47.5Very low40.3Very low214 Ų214155.7 Ų155.793%0.9386%0.855SS**  cis-131133.56.2-60.1175.1-177.6178.60109.8
12R43.8Very low40.6Very low231 Ų231150.6 Ų150.687%0.87284%0.841SS**  trans-116.5126154.455.2175.466.8171-0.6106.4
13S41.1Very low40.5Very low107 Ų107152 Ų15275%0.74884%0.844SS**  trans-83.8130-178.1-162.40000109.5
14L45.7Very low40.7Very low155 Ų155151.1 Ų151.181%0.81284%0.844SS**  trans-123.5116.5169.6-68.1175.3000107.3
15L39.2Very low40.3Very low168 Ų168149.5 Ų149.588%0.8884%0.838SS**  trans-112.1140.9168.9-66.1175.8000107.7
16G36.3Very low39.7Very low85 Ų85150.6 Ų150.688%0.87684%0.839SS**  trans100.547.3171.200000116.6
17A39Very low39.4Very low98 Ų98148.8 Ų148.881%0.8184%0.838SS**  trans-97128.7156.800000109.5
18R50.4Low39.7Very low251 Ų251144 Ų14495%0.94784%0.836SS**  trans-117.1138.6163.6-75.5-174178.5-104.63.3108.4
19V35.6Very low38.9Very low140 Ų140137.7 Ų137.785%0.84883%0.83SS**  trans-100140.8-176.8177.30000109.1
20L34.7Very low38.1Very low174 Ų174133.5 Ų133.591%0.91182%0.821SS**  trans-104143.4164.9-69.4173.3000109.3
21G32.9Very low38Very low68 Ų68135 Ų13570%0.70183%0.826SS**  trans-118.1165.2175.200000112.3
22P44.4Very low38.1Very low144 Ų144130.4 Ų130.494%0.93582%0.818SS**  trans-83.9-176-167.5-12.331.7000115.2
23S34.7Very low38.1Very low122 Ų122125.1 Ų125.185%0.85381%0.814SS**  trans-121.6-177.3-168.5-1690000113.4
24A38.6Very low37.6Very low96 Ų96125.3 Ų125.379%0.79382%0.816SS**  trans80.1151.7-177.600000115.6
25S35.4Very low36.9Very low88 Ų88125.9 Ų125.962%0.61581%0.814SS**  cis-146.6171.311.255.60000114.7
26E31.5Very low36.9Very low187 Ų187123.5 Ų123.587%0.87481%0.809SS**  trans72158.7155-72.3150.7113.100122
27G28.7Very low36.6Very low68 Ų68125.8 Ų125.870%0.70180%0.8SS**  trans-148.1-152.7177.200000109.2
28P51.3Low36.2Very low131 Ų131127.5 Ų127.585%0.85180%0.795SS**  cis-135.4-162.82.343.4-25.7000114.2
29S27.4Very low35.1Very low116 Ų116124.2 Ų124.281%0.81179%0.79SS**  trans108.8150.8149.2-152.50000120.9
30A29.5Very low34.8Very low89 Ų89120.9 Ų120.974%0.73678%0.784SS**  trans70.586.4156.200000123.1
31A30.4Very low34.5Very low102 Ų102118 Ų11884%0.84379%0.786SS**  56.8140.4122.900000124.1
32P49Very low34.4Very low118 Ų118119.3 Ų119.377%0.76679%0.789SS**  trans-95.6169.1-179.141.7-38.6000114.7
33P44.5Very low34.3Very low120 Ų120118.6 Ų118.678%0.77979%0.785SS**  -136.8-16999.136.7-19.8000111.7
34S29.5Very low34.2Very low112 Ų112120 Ų12078%0.78378%0.778SS**  cis-151.9152.116.2-53.30000113.1
35E32.6Very low34.2Very low166 Ų166120.6 Ų120.678%0.77677%0.774SS**  trans-83.7163.5162.3-88.7-83.9132.600111.2L37E35-L37 PolarHBondContact OE2-N 2.83Å
36P39.3Very low33.8Very low119 Ų119124.9 Ų124.977%0.77378%0.782SS**  -150.8125.992.936-15.6000118.1
37L29.1Very low33.7Very low133 Ų133124 Ų12470%0.69678%0.781SS**  62.2121.4111.9-162.181.5000121.5E35E35-L37 PolarHBondContact OE2-N 2.83Å
38L30.6Very low33.8Very low133 Ų133124.9 Ų124.970%0.69678%0.782SS**  158.3111.7124.8-83.5174000108.8
39E27.7Very low32.8Very low183 Ų183124.5 Ų124.586%0.85578%0.782SS**  95.412672.2-173.8171.7106.500112
40G28.9Very low32.9Very low69 Ų69126 Ų12671%0.71178%0.781SS**  cis-179.2-157.7-2.100000113.6
41A29.2Very low33.2Very low115 Ų115129.1 Ų129.195%0.9579%0.785SS**  trans77142.2175.500000119.5
42A30.8Very low33.2Very low94 Ų94129.5 Ų129.578%0.77778%0.777SS**  trans-146.1173.3176.200000108.8
43P42.3Very low32.4Very low130 Ų130129.1 Ų129.184%0.84478%0.775SS**  -143.6169.674.135-15.1000117
44Q32.5Very low31.6Very low151 Ų151129.9 Ų129.971%0.70678%0.782SS**  trans-75.3159.7173.7-88.8-75.7-20.600112.5
45P38.2Very low31.6Very low109 Ų109133.6 Ų133.671%0.70879%0.787SS**  -144.9148.466.831.8-9.8000119.4
46F27.1Very low31.7Very low178 Ų178133.7 Ų133.778%0.78179%0.787SS**  trans29.9137142.8-55.9-76.3000119.7
47I30Very low31.4Very low168 Ų168136 Ų13686%0.86279%0.788SS**  -147158.251.5-78.1174.8000110.8
48A29.3Very low31.4Very low86 Ų86137 Ų13771%0.71179%0.793SS**  trans-91.9146.9179.700000114.2
49S31.4Very low32Very low123 Ų123139.9 Ų139.986%0.8680%0.8SS**  trans-162.2154.2134.6-80.20000110.4
50D29.1Very low32.1Very low148 Ų148137.9 Ų137.979%0.79179%0.79SS**  trans-64.8135.4-169-148.4-86000112.9T52D50-T52 PolarHBondContact OD1-OG1 3.45Å
51D35Very low32.7Very low154 Ų154140.8 Ų140.882%0.82479%0.794SS**  trans-133.6101.3173.2-157.7-12.2000108.1
52T30.3Very low32.9Very low110 Ų110141.8 Ų141.868%0.67578%0.783SS**  trans-123.3110.6-179-66.10000109.2D50D50-T52 PolarHBondContact OD1-OG1 3.45Å
53P32.2Very low33.3Very low110 Ų110147.2 Ų147.271%0.71479%0.789SS**  trans-77.1134.9-17329.6-34.9000112.6Q55P53-Q55 PolarHBondContact O-N 2.85Å; P53-Q55 VanDerWaalsContact O-N 3.14Å
54C29.6Very low32.8Very low137 Ų137144.1 Ų144.193%0.92677%0.774SS**  trans-67.7111168.7-74.30000110.5
55Q28.6Very low32.9Very low190 Ų190142.5 Ų142.589%0.88878%0.777SS**  trans-70.6133.8-175.2-173.8174.453.800112.7P53P53-Q55 PolarHBondContact O-N 2.85Å; P53-Q55 VanDerWaalsContact O-N 3.14Å
56E35.1Very low32.9Very low168 Ų168143.2 Ų143.279%0.78578%0.784SS**  trans-76.5156.6172-159.1-172.1104.900111.7
57Q32.8Very low33.4Very low167 Ų167140.4 Ų140.478%0.7878%0.782SS**  trans72.6116.8179.7-53.4-169.43.100117.7
58L28.1Very low33.7Very low153 Ų153137.7 Ų137.780%0.80178%0.777SS**  -146.8120.9104-146159.5000110.5E60L58-E60 HydrophobicContact CD2-CB 3.95Å
59K44.7Very low33.9Very low195 Ų195137.1 Ų137.185%0.84878%0.78SS**  trans-102.572.7-173.4-170.2178.8-174.3171.50111.2
60E29.3Very low34.3Very low141 Ų141137.7 Ų137.766%0.65977%0.773SS**  trans-96111.4-178.6-154.3175.3153.300112.6L58 L62L58-E60 HydrophobicContact CD2-CB 3.95Å; E60-L62 HydrophobicContact CG-CD1 4.44Å; E60-L62 HydrophobicContact CG-CG 4.3Å; E60-L62 PolarHBondContact O-N 3.41Å
61V42.2Very low35Very low129 Ų129138.3 Ų138.378%0.78277%0.771SS**  trans-85.893.2-178.3-1800000110.2
62L33.3Very low36Very low137 Ų137138.1 Ų138.172%0.71777%0.765SS**  trans-104.5127.5175.5-71.5168.9000111.5E60E60-L62 HydrophobicContact CG-CD1 4.44Å; E60-L62 HydrophobicContact CG-CG 4.3Å; E60-L62 PolarHBondContact O-N 3.41Å
63K38.1Very low37.7Very low208 Ų208135.5 Ų135.590%0.90475%0.749SS**PPolyproline II helixtrans-80.9123.9-176.4-71.3177.5175.4176.60111.6
64A32Very low39.8Very low64 Ų64132.5 Ų132.553%0.52973%0.733SS.*PPolyproline II helixtrans-96.4162162.100000111.3
65P35.3Very low42.4Very low118 Ų118126.2 Ų126.277%0.76669%0.691SS**PPolyproline II helixtrans-68.9141.1-174-19.333.3000113.8T67P65-T67 PolarHBondContact O-N 3.24Å
66S38.3Very low45.1Very low124 Ų124122.4 Ų122.487%0.86767%0.672SS**  trans-81.9110.4172.454.60000111.2
67T37.2Very low47.6Very low119 Ų119118.8 Ų118.873%0.7366%0.664SS**  trans-134.8122.8172.351.80000112.7P65P65-T67 PolarHBondContact O-N 3.24Å
68S36.8Very low50Low110 Ų110113.4 Ų113.477%0.76965%0.653SS**SBendtrans64.792.3146.9-53.70000119.7
69G33.6Very low53Low75 Ų75108.1 Ų108.177%0.77362%0.624SS**  trans55.3100.4134.100000119Q71G69-Q71 PolarHBondContact O-N 2.79Å
70L37.9Very low55.2Low135 Ų135103.7 Ų103.771%0.70761%0.605SS**  trans-54.798.1174.4-72.3166.3000113.6E120L70-E120 HydrophobicContact CD2-CG 4.46Å
71Q43.8Very low58.3Low160 Ų16097 Ų9775%0.74857%0.574SS**  trans-86.4112.3141.5-173.4168.522.500106.3G69 V73G69-Q71 PolarHBondContact O-N 2.79Å; Q71-V73 PolarHBondContact O-N 3.04Å
72Q55.9Low60.6Low150 Ų15094 Ų9470%0.70155%0.549SS*.  trans-68.295.1176.5-79.2-177.1-32.600109.5A74Q72-A74 PolarHBondContact O-N 3.42Å
73V67.6Low63.4Low56 Ų5687.6 Ų87.634%0.33952%0.515SS..  trans-74.5115.5177.1177.40000108.8Q71 F75Q71-V73 PolarHBondContact O-N 3.04Å; V73-F75 VanDerWaalsContact C-N 3.29Å; V73-F75 HydrophobicContact CB-CE2 4.14Å; V73-F75 HydrophobicContact CB-CZ 4.19Å; V73-F75 HydrophobicContact CG1-CD1 4.15Å; V73-F75 HydrophobicContact CG1-CD2 4.39Å; V73-F75 HydrophobicContact CG1-CE1 3.86Å; V73-F75 HydrophobicContact CG1-CE2 4.12Å; V73-F75 HydrophobicContact CG1-CG 4.41Å; V73-F75 HydrophobicContact CG1-CZ 3.84Å; V73-F75 WeakPolarHBondContact O-CD2 3.41Å; V73-F75 PolarHBondContact O-N 2.59Å
74A76.6Confident65.7Low46 Ų4685.4 Ų85.438%0.3850%0.501SS..  trans-7676.7179.200000111.2Q72 Q76 W99Q72-A74 PolarHBondContact O-N 3.42Å; A74-Q76 PolarHBondContact O-N 3.17Å; A74-Q76 PolarHBondContact O-NE2 2.97Å; A74-W99 HydrophobicContact CB-CH2 3.63Å; A74-W99 HydrophobicContact CB-CZ2 3.83Å
75F83.1Confident68.2Low6 Ų685 Ų853%0.02649%0.487CS..PPolyproline II helixtrans-58.3129.6174.5-67.8-67.8000111.5V73 V81 V94 V104 V119 V122V73-F75 VanDerWaalsContact C-N 3.29Å; V73-F75 HydrophobicContact CB-CE2 4.14Å; V73-F75 HydrophobicContact CB-CZ 4.19Å; V73-F75 HydrophobicContact CG1-CD1 4.15Å; V73-F75 HydrophobicContact CG1-CD2 4.39Å; V73-F75 HydrophobicContact CG1-CE1 3.86Å; V73-F75 HydrophobicContact CG1-CE2 4.12Å; V73-F75 HydrophobicContact CG1-CG 4.41Å; V73-F75 HydrophobicContact CG1-CZ 3.84Å; V73-F75 WeakPolarHBondContact O-CD2 3.41Å; V73-F75 PolarHBondContact O-N 2.59Å; F75-V81 HydrophobicContact CD1-CG1 3.82Å; F75-V81 HydrophobicContact CE1-CG1 3.75Å; F75-V94 HydrophobicContact CB-CG1 4.22Å; F75-V94 HydrophobicContact CB-CG2 4.14Å; F75-V94 HydrophobicContact CD1-CG2 4.25Å; F75-V94 HydrophobicContact CG-CG2 4.41Å; F75-V104 HydrophobicContact CD2-CG2 3.85Å; F75-V104 HydrophobicContact CE2-CG2 4.4Å; F75-V119 HydrophobicContact CD2-CG2 3.97Å; F75-V119 HydrophobicContact CE2-CG2 3.8Å; F75-V122 HydrophobicContact CD1-CG1 4.31Å; F75-V122 HydrophobicContact CE1-CB 4.41Å; F75-V122 HydrophobicContact CE1-CG1 3.73Å; F75-V122 HydrophobicContact CE2-CB 3.94Å; F75-V122 HydrophobicContact CE2-CG1 4.07Å; F75-V122 HydrophobicContact CZ-CB 3.76Å; F75-V122 HydrophobicContact CZ-CG1 3.59Å; F75-V122 WeakPolarHBondContact CZ-O 3.39Å
76Q85.2Confident70.5Confident109 Ų10989.8 Ų89.851%0.50949%0.489SS..PPolyproline II helixtrans-103.3146.3-179.8-56.7-56.9-55.800110.9A74 Q79 V94A74-Q76 PolarHBondContact O-N 3.17Å; A74-Q76 PolarHBondContact O-NE2 2.97Å; Q76-Q79 HydrophobicContact CB-CB 4.44Å; Q76-Q79 WeakPolarHBondContact O-CB 3.49Å; Q76-Q79 PolarHBondContact O-N 3.39Å; Q76-Q79 VanDerWaalsContact O-N 3.1Å; Q76-V94 WeakPolarHBondContact O-CB 3.49Å
77P86.8Confident72.6Confident93 Ų9387.3 Ų87.360%0.60448%0.484SS*.THydrogen-bonded Turntrans-54.8140169.5-25.535.7000112.3Q79 V94P77-Q79 PolarHBondContact O-N 2.74Å; P77-V94 CarbonylContact C-O 3.55Å; P77-V94 WeakPolarHBondContact CA-O 3.31Å
78G84.4Confident74.8Confident54 Ų5486.6 Ų86.656%0.55747%0.472SS*.THydrogen-bonded Turntrans78.2-4.8-173.800000115.2V94G78-V94 PolarHBondContact N-O 3.14Å
79Q90.8Very high77.3Confident42 Ų4285.5 Ų85.520%0.19646%0.455CS..  trans-72.3130-179-173172.5-1.400111.6Q76 P77 V81 L93 V94 L124Q76-Q79 HydrophobicContact CB-CB 4.44Å; Q76-Q79 WeakPolarHBondContact O-CB 3.49Å; Q76-Q79 PolarHBondContact O-N 3.39Å; Q76-Q79 VanDerWaalsContact O-N 3.1Å; P77-Q79 PolarHBondContact O-N 2.74Å; Q79-V81 HydrophobicContact CG-CG1 4.49Å; Q79-L93 WeakPolarHBondContact O-CA 3.04Å; Q79-V94 HydrophobicContact CB-CB 4.5Å; Q79-V94 HydrophobicContact CB-CG2 4.45Å; Q79-V94 PolarHBondContact O-N 2.91Å; Q79-L124 VanDerWaalsContact NE2-CD1 3.3Å
80K91.9Very high80Confident102 Ų10282.1 Ų82.144%0.44342%0.419SS..EExtended strand (participates in β ladder)trans-73.2128.3177-166.2-171.7176.4-172.40111T91 G92 L93 A125K80-T91 HydrophobicContact CD-CG2 4.38Å; K80-T91 HydrophobicContact CG-CG2 4.13Å; K80-G92 WeakPolarHBondContact CA-O 3.41Å; K80-L93 HydrophobicContact CB-CD2 4.1Å; K80-L93 HydrophobicContact CG-CD2 4.34Å; K80-A125 HydrophobicContact CB-CB 4.01Å; K80-A125 HydrophobicContact CD-CB 3.79Å; K80-A125 HydrophobicContact CG-CB 3.63Å; K80-A125 WeakPolarHBondContact O-CB 3.4Å; K80-A125 PolarHBondContact O-N 3.33Å; K80-A125 VanDerWaalsContact O-N 3.08Å
81V92.8Very high82.6Confident0 Ų077.6 Ų77.60%040%0.397CS..EExtended strand (participates in β ladder)trans-141166.8-176.3-66.20000111.7F75 Q79 V83 G92 V94 V106 V122 W123F75-V81 HydrophobicContact CD1-CG1 3.82Å; F75-V81 HydrophobicContact CE1-CG1 3.75Å; Q79-V81 HydrophobicContact CG-CG1 4.49Å; V81-V83 HydrophobicContact CG2-CG2 4.43Å; V81-G92 PolarHBondContact N-O 2.92Å; V81-G92 PolarHBondContact O-N 2.85Å; V81-V94 HydrophobicContact CB-CG2 4.31Å; V81-V94 HydrophobicContact CG1-CG2 3.61Å; V81-V94 HydrophobicContact CG2-CG2 3.71Å; V81-V106 HydrophobicContact CG2-CB 4.47Å; V81-V106 HydrophobicContact CG2-CG1 3.64Å; V81-V106 HydrophobicContact CG2-CG2 3.91Å; V81-V122 HydrophobicContact CB-CG1 3.56Å; V81-V122 HydrophobicContact CG1-CG1 3.72Å; V81-V122 HydrophobicContact CG2-CG1 3.83Å; V81-W123 CarbonylContact C-O 3.56Å; V81-W123 VanDerWaalsContact CA-O 3.31Å; V81-W123 WeakPolarHBondContact CA-O 3.47Å; V81-W123 WeakPolarHBondContact CB-O 3.48Å
82Y90.5Very high84.9Confident67 Ų6770 Ų7026%0.26336%0.361SS..EExtended strand (participates in β ladder)trans-116.1143171-70-79.8000109.9E89 C90 T91 V122 W123 A125Y82-E89 HydrophobicContact CD1-CG 3.78Å; Y82-E89 HydrophobicContact CG-CG 4.32Å; Y82-C90 WeakPolarHBondContact CA-O 3.35Å; Y82-T91 HydrophobicContact CE1-CG2 4.19Å; Y82-T91 WeakPolarHBondContact CE1-OG1 3.45Å; Y82-V122 WeakPolarHBondContact O-CA 3.39Å; Y82-W123 PolarHBondContact N-O 3.48Å; Y82-W123 PolarHBondContact O-N 2.87Å; Y82-W123 VanDerWaalsContact O-N 3.07Å; Y82-A125 HydrophobicContact CD2-CB 3.71Å; Y82-A125 HydrophobicContact CE2-CB 3.42Å; Y82-A125 VanDerWaalsContact CE2-CB 3.42Å
83V92.1Very high86.7Confident1 Ų165.7 Ų65.71%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-141.6143.8-176.8-1770000109.8V81 Y85 C90 V106 C117 V122V81-V83 HydrophobicContact CG2-CG2 4.43Å; V83-Y85 PolarHBondContact O-N 2.76Å; V83-C90 PolarHBondContact N-O 3.38Å; V83-C90 PolarHBondContact O-N 3.1Å; V83-V106 HydrophobicContact CG2-CB 4.07Å; V83-V106 HydrophobicContact CG2-CG1 3.94Å; V83-V106 HydrophobicContact CG2-CG2 3.87Å; V83-C117 HydrophobicContact CG1-CB 4.05Å; V83-V122 HydrophobicContact CG2-CG1 4.33Å; V83-V122 HydrophobicContact CG2-CG2 4.14Å
84W87.6Confident87.9Confident162 Ų16263 Ų6361%0.61433%0.327SS*.EExtended strand (participates in β ladder)trans-81.3107.9171.2-81.1114.1000110.1E89 W123W84-E89 HydrophobicContact CE3-CB 4.47Å; W84-E89 HydrophobicContact CH2-CB 4.24Å; W84-E89 HydrophobicContact CZ3-CB 4.24Å; W84-W123 HydrophobicContact CB-CH2 4.23Å; W84-W123 AromaticContact CD1-CH2 3.1Å; W84-W123 AromaticContact CD1-CZ2 3.89Å; W84-W123 AromaticContact CD1-CZ3 3.76Å; W84-W123 HydrophobicContact CD2-CH2 4.46Å; W84-W123 AromaticContact CG-CH2 3.71Å; W84-W123 HydrophobicContact CG-CH2 3.71Å; W84-W123 HydrophobicContact CG-CZ2 4.41Å; W84-W123 AromaticContact NE1-CH2 3.44Å; W84-W123 AromaticContact NE1-CZ2 3.79Å
85Y84.7Confident88.5Confident56 Ų5664.7 Ų64.722%0.2233%0.327CS..EExtended strand (participates in β ladder)trans-123.3129.7175-174.4-110.7000111V83 G87 Q88 L108 V115V83-Y85 PolarHBondContact O-N 2.76Å; Y85-G87 PolarHBondContact O-N 2.85Å; Y85-Q88 PolarHBondContact N-O 2.84Å; Y85-Q88 PolarHBondContact O-N 3.42Å; Y85-Q88 VanDerWaalsContact O-O 3.1Å; Y85-L108 HydrophobicContact CD1-CD1 3.76Å; Y85-L108 HydrophobicContact CE1-CD1 4.47Å; Y85-L108 HydrophobicContact CG-CD1 3.85Å; Y85-V115 HydrophobicContact CD2-CB 4.49Å; Y85-V115 HydrophobicContact CD2-CG1 3.93Å; Y85-V115 HydrophobicContact CD2-CG2 3.69Å; Y85-V115 HydrophobicContact CE2-CG1 4.31Å; Y85-V115 HydrophobicContact CE2-CG2 3.71Å; Y85-V115 HydrophobicContact CG-CG2 4.19Å
86R82.8Confident88.7Confident219 Ų21970.5 Ų70.583%0.82635%0.354SS*.THydrogen-bonded Turntrans50.426.6-179-65.3179.2178.3-113.3-0.4115.2
87G82.2Confident88.7Confident72 Ų7266.5 Ų66.574%0.74234%0.335SS*.THydrogen-bonded Turntrans85.89-178.900000115.3Y85Y85-G87 PolarHBondContact O-N 2.85Å
88Q83.7Confident88.5Confident104 Ų10463.5 Ų63.549%0.48632%0.317SS..EExtended strand (participates in β ladder)trans-117.3149.1171.5-176.5175.8-39.100110.2Y85 C90 E110Y85-Q88 PolarHBondContact N-O 2.84Å; Y85-Q88 PolarHBondContact O-N 3.42Å; Y85-Q88 VanDerWaalsContact O-O 3.1Å; Q88-C90 PolarHBondContact O-N 2.8Å; Q88-E110 PolarHBondContact NE2-OE2 3.03Å
89E89.2Confident88Confident87 Ų8767.7 Ų67.741%0.40732%0.316SS..EExtended strand (participates in β ladder)trans-77.9114166.7177173-140.700108.8Y82 W84 W123Y82-E89 HydrophobicContact CD1-CG 3.78Å; Y82-E89 HydrophobicContact CG-CG 4.32Å; W84-E89 HydrophobicContact CE3-CB 4.47Å; W84-E89 HydrophobicContact CH2-CB 4.24Å; W84-E89 HydrophobicContact CZ3-CB 4.24Å; E89-W123 HydrophobicContact CG-CZ2 4.17Å; E89-W123 PolarHBondContact OE1-NE1 3.48Å
90C89.8Confident87.1Confident3 Ų374.8 Ų74.82%0.0235%0.351CS..EExtended strand (participates in β ladder)trans-107.6139.8-179.6-65.90000110Y82 V83 Q88 L108Y82-C90 WeakPolarHBondContact CA-O 3.35Å; V83-C90 PolarHBondContact N-O 3.38Å; V83-C90 PolarHBondContact O-N 3.1Å; Q88-C90 PolarHBondContact O-N 2.8Å; C90-L108 HydrophobicContact CB-CD1 3.91Å; C90-L108 HydrophobicContact CB-CD2 3.76Å; C90-L108 HydrophobicContact CB-CG 4.36Å
91T92.7Very high86.3Confident40 Ų4076.2 Ų76.225%0.24536%0.359CS..EExtended strand (participates in β ladder)trans-89.3133.3174.9-48.80000110.2K80 Y82 L109K80-T91 HydrophobicContact CD-CG2 4.38Å; K80-T91 HydrophobicContact CG-CG2 4.13Å; Y82-T91 HydrophobicContact CE1-CG2 4.19Å; Y82-T91 WeakPolarHBondContact CE1-OG1 3.45Å; T91-L109 HydrophobicContact CG2-CD1 4.49Å; T91-L109 PolarHBondContact O-N 3.41Å
92G92.8Very high85.8Confident0 Ų077.5 Ų77.50%037%0.373CS..EExtended strand (participates in β ladder)trans-144.9179.4177.800000114.5K80 V81 W107K80-G92 WeakPolarHBondContact CA-O 3.41Å; V81-G92 PolarHBondContact N-O 2.92Å; V81-G92 PolarHBondContact O-N 2.85Å; G92-W107 CarbonylContact C-O 3.59Å; G92-W107 WeakPolarHBondContact CA-O 2.97Å
93L92.7Very high85.7Confident60 Ų6077.7 Ų77.731%0.31438%0.376SS..EExtended strand (participates in β ladder)trans-112.5134.3170-56.8179.9000108.7Q79 K80 E95 V106 W107 L109Q79-L93 WeakPolarHBondContact O-CA 3.04Å; K80-L93 HydrophobicContact CB-CD2 4.1Å; K80-L93 HydrophobicContact CG-CD2 4.34Å; L93-E95 PolarHBondContact O-N 2.86Å; L93-V106 CarbonylContact O-C 3.51Å; L93-V106 WeakPolarHBondContact O-CA 3.49Å; L93-W107 PolarHBondContact N-O 3.34Å; L93-W107 PolarHBondContact O-N 2.81Å; L93-L109 HydrophobicContact CD1-CD2 4.16Å; L93-L109 HydrophobicContact CD2-CD1 4.33Å; L93-L109 HydrophobicContact CG-CD1 4.24Å; L93-L109 HydrophobicContact CG-CD2 4.14Å; L93-L109 HydrophobicContact CG-CG 4.36Å
94V93.1Very high85.7Confident1 Ų177.6 Ų77.61%0.00638%0.376CS..EExtended strand (participates in β ladder)trans-64.9129.5170.8174.80000108.9F75 Q76 P77 G78 Q79 V81 V104 V106F75-V94 HydrophobicContact CB-CG1 4.22Å; F75-V94 HydrophobicContact CB-CG2 4.14Å; F75-V94 HydrophobicContact CD1-CG2 4.25Å; F75-V94 HydrophobicContact CG-CG2 4.41Å; Q76-V94 WeakPolarHBondContact O-CB 3.49Å; P77-V94 CarbonylContact C-O 3.55Å; P77-V94 WeakPolarHBondContact CA-O 3.31Å; G78-V94 PolarHBondContact N-O 3.14Å; Q79-V94 HydrophobicContact CB-CB 4.5Å; Q79-V94 HydrophobicContact CB-CG2 4.45Å; Q79-V94 PolarHBondContact O-N 2.91Å; V81-V94 HydrophobicContact CB-CG2 4.31Å; V81-V94 HydrophobicContact CG1-CG2 3.61Å; V81-V94 HydrophobicContact CG2-CG2 3.71Å; V94-V104 HydrophobicContact CG1-CG1 3.89Å; V94-V104 HydrophobicContact CG2-CG1 3.99Å; V94-V106 HydrophobicContact CG2-CG2 4.38Å
95E90.4Very high85.9Confident81 Ų8171 Ų7138%0.37935%0.353SS..EExtended strand (participates in β ladder)trans-100.6-42.3172.1-66-177.2119.900110.9L93 T105 W107 Q114L93-E95 PolarHBondContact O-N 2.86Å; E95-T105 PolarHBondContact N-O 3.3Å; E95-W107 HydrophobicContact CG-CB 3.9Å; E95-Q114 WeakPolarHBondContact OE2-CG 3.31Å; E95-Q114 PolarHBondContact OE2-NE2 2.91Å
96Q86.2Confident86.3Confident127 Ų12768.4 Ų68.459%0.59334%0.343SS*.EExtended strand (participates in β ladder)trans-148.1146.1-177-163.8175.42200111.3T105Q96-T105 PolarHBondContact N-O 3Å; Q96-T105 PolarHBondContact O-N 2.9Å
97H86.6Confident86.9Confident25 Ų2562.5 Ų62.512%0.11632%0.321CS..EExtended strand (participates in β ladder)trans-123.7108.3173.2-179.2-170.8000108.7W99H97-W99 AromaticContact CE1-CD2 3.69Å; H97-W99 AromaticContact CE1-CE2 3.53Å; H97-W99 AromaticContact CE1-CE3 3.83Å; H97-W99 AromaticContact CE1-CH2 3.77Å; H97-W99 AromaticContact CE1-CZ2 3.58Å; H97-W99 AromaticContact CE1-CZ3 3.87Å; H97-W99 AromaticContact CG-NE1 3.94Å; H97-W99 AromaticContact ND1-CE2 3.45Å; H97-W99 AromaticContact ND1-CZ2 3.57Å; H97-W99 AromaticContact ND1-NE1 3.64Å; H97-W99 VanDerWaalsContact O-CD1 3.31Å; H97-W99 PolarHBondContact O-N 2.89Å
98S82Confident87.3Confident31 Ų3159.1 Ų59.122%0.21729%0.286CS..EExtended strand (participates in β ladder)trans-86.585.7178.4-171.60000110.3M100 E101 G102 Q103S98-M100 PolarHBondContact O-N 3.12Å; S98-M100 VanDerWaalsContact O-N 3.17Å; S98-E101 VanDerWaalsContact CB-OE2 3.31Å; S98-E101 WeakPolarHBondContact CB-OE2 3.36Å; S98-E101 PolarHBondContact O-N 2.92Å; S98-E101 WeakPolarHBondContact OG-CG 3.46Å; S98-E101 PolarHBondContact OG-OE2 3.08Å; S98-G102 PolarHBondContact O-N 2.9Å; S98-Q103 PolarHBondContact N-O 3.25Å; S98-Q103 PolarHBondContact O-N 2.92Å
99W73.7Confident87.5Confident141 Ų14158.1 Ų58.153%0.53428%0.283SS..THydrogen-bonded Turntrans-56.4-28.1-178.8-68.990.5000114.5A74 H97A74-W99 HydrophobicContact CB-CH2 3.63Å; A74-W99 HydrophobicContact CB-CZ2 3.83Å; H97-W99 AromaticContact CE1-CD2 3.69Å; H97-W99 AromaticContact CE1-CE2 3.53Å; H97-W99 AromaticContact CE1-CE3 3.83Å; H97-W99 AromaticContact CE1-CH2 3.77Å; H97-W99 AromaticContact CE1-CZ2 3.58Å; H97-W99 AromaticContact CE1-CZ3 3.87Å; H97-W99 AromaticContact CG-NE1 3.94Å; H97-W99 AromaticContact ND1-CE2 3.45Å; H97-W99 AromaticContact ND1-CZ2 3.57Å; H97-W99 AromaticContact ND1-NE1 3.64Å; H97-W99 VanDerWaalsContact O-CD1 3.31Å; H97-W99 PolarHBondContact O-N 2.89Å
100M71.8Confident87.3Confident191 Ų19160.4 Ų60.494%0.94129%0.294SS*.THydrogen-bonded Turntrans-78.4-22.1179.1-58.7-169.8-166.600112.9S98S98-M100 PolarHBondContact O-N 3.12Å; S98-M100 VanDerWaalsContact O-N 3.17Å
101E75.2Confident87.1Confident132 Ų13263 Ų6362%0.61731%0.305SS*.THydrogen-bonded Turntrans-113.2-8.4-173.1-59.1174.5126.700112.8S98 Q103S98-E101 VanDerWaalsContact CB-OE2 3.31Å; S98-E101 WeakPolarHBondContact CB-OE2 3.36Å; S98-E101 PolarHBondContact O-N 2.92Å; S98-E101 WeakPolarHBondContact OG-CG 3.46Å; S98-E101 PolarHBondContact OG-OE2 3.08Å; E101-Q103 HydrophobicContact CB-CB 4.5Å; E101-Q103 HydrophobicContact CB-CG 4.34Å; E101-Q103 PolarHBondContact O-N 2.9Å
102G81.9Confident86.8Confident27 Ų2768.5 Ų68.528%0.27833%0.326SS..THydrogen-bonded Turntrans68.621.2-175.500000113.6S98 R118 V119S98-G102 PolarHBondContact O-N 2.9Å; G102-R118 CarbonylContact O-C 3.57Å; G102-R118 WeakPolarHBondContact O-CA 3.41Å; G102-V119 PolarHBondContact O-N 3.42Å
103Q88.6Confident86.7Confident71 Ų7172.8 Ų72.833%0.33235%0.349SS..EExtended strand (participates in β ladder)trans-107.5143.3-176.1-70.3-176.194.300112.1S98 E101 C117S98-Q103 PolarHBondContact N-O 3.25Å; S98-Q103 PolarHBondContact O-N 2.92Å; E101-Q103 HydrophobicContact CB-CB 4.5Å; E101-Q103 HydrophobicContact CB-CG 4.34Å; E101-Q103 PolarHBondContact O-N 2.9Å; Q103-C117 CarbonylContact C-O 3.49Å; Q103-C117 WeakPolarHBondContact CA-O 3.38Å
104V91.3Very high86.6Confident0 Ų075.6 Ų75.60%036%0.36CS..EExtended strand (participates in β ladder)trans-121.9126.8173.3-173.40000108.1F75 V94 V106 C117 V119 V122F75-V104 HydrophobicContact CD2-CG2 3.85Å; F75-V104 HydrophobicContact CE2-CG2 4.4Å; V94-V104 HydrophobicContact CG1-CG1 3.89Å; V94-V104 HydrophobicContact CG2-CG1 3.99Å; V104-V106 HydrophobicContact CG1-CG2 3.85Å; V104-C117 PolarHBondContact N-O 2.83Å; V104-C117 PolarHBondContact O-N 2.84Å; V104-C117 PolarHBondContact O-SG 2.89Å; V104-V119 HydrophobicContact CG2-CB 4.11Å; V104-V119 HydrophobicContact CG2-CG2 4.07Å; V104-V122 HydrophobicContact CB-CG2 3.96Å; V104-V122 HydrophobicContact CG1-CG2 4.28Å; V104-V122 HydrophobicContact CG2-CG2 4.3Å
105T91.7Very high86.4Confident24 Ų2476.5 Ų76.515%0.14737%0.365CS..EExtended strand (participates in β ladder)trans-93.8121.1175-55.20000108.5E95 Q96 Q114E95-T105 PolarHBondContact N-O 3.3Å; Q96-T105 PolarHBondContact N-O 3Å; Q96-T105 PolarHBondContact O-N 2.9Å; T105-Q114 VanDerWaalsContact CG2-CD 3.49Å; T105-Q114 HydrophobicContact CG2-CG 3.37Å
106V93.9Very high86.4Confident0 Ų076.3 Ų76.30%037%0.373CS..EExtended strand (participates in β ladder)trans-124127-174.6-178.30000110.3V81 V83 L93 V94 V104 L108 V115 V122V81-V106 HydrophobicContact CG2-CB 4.47Å; V81-V106 HydrophobicContact CG2-CG1 3.64Å; V81-V106 HydrophobicContact CG2-CG2 3.91Å; V83-V106 HydrophobicContact CG2-CB 4.07Å; V83-V106 HydrophobicContact CG2-CG1 3.94Å; V83-V106 HydrophobicContact CG2-CG2 3.87Å; L93-V106 CarbonylContact O-C 3.51Å; L93-V106 WeakPolarHBondContact O-CA 3.49Å; V94-V106 HydrophobicContact CG2-CG2 4.38Å; V104-V106 HydrophobicContact CG1-CG2 3.85Å; V106-L108 HydrophobicContact CG1-CD2 4.2Å; V106-V115 PolarHBondContact N-O 2.87Å; V106-V115 PolarHBondContact O-N 2.86Å; V106-V122 HydrophobicContact CG2-CG2 4.44Å
107W94.7Very high86.4Confident96 Ų9670.8 Ų70.836%0.36435%0.348SS..EExtended strand (participates in β ladder)trans-81.9109.5170.8-175.5-93.1000110.6G92 L93 E95 L109 K112 Q114G92-W107 CarbonylContact C-O 3.59Å; G92-W107 WeakPolarHBondContact CA-O 2.97Å; L93-W107 PolarHBondContact N-O 3.34Å; L93-W107 PolarHBondContact O-N 2.81Å; E95-W107 HydrophobicContact CG-CB 3.9Å; W107-L109 PolarHBondContact O-N 3.42Å; W107-K112 HydrophobicContact CZ2-CB 4.24Å; W107-Q114 HydrophobicContact CE3-CB 4.1Å; W107-Q114 HydrophobicContact CZ3-CB 4.26Å
108L92.1Very high86.5Confident0 Ų075.6 Ų75.60%037%0.366CS..EExtended strand (participates in β ladder)trans-76119.1178.9-60.7-172.9000110.9Y85 C90 V106 Q111 K112 L113 V115Y85-L108 HydrophobicContact CD1-CD1 3.76Å; Y85-L108 HydrophobicContact CE1-CD1 4.47Å; Y85-L108 HydrophobicContact CG-CD1 3.85Å; C90-L108 HydrophobicContact CB-CD1 3.91Å; C90-L108 HydrophobicContact CB-CD2 3.76Å; C90-L108 HydrophobicContact CB-CG 4.36Å; V106-L108 HydrophobicContact CG1-CD2 4.2Å; L108-Q111 HydrophobicContact CB-CB 4.07Å; L108-Q111 HydrophobicContact CD1-CB 4.36Å; L108-Q111 HydrophobicContact CD1-CG 4.46Å; L108-K112 VanDerWaalsContact O-CA 3.28Å; L108-K112 WeakPolarHBondContact O-CA 3.44Å; L108-K112 PolarHBondContact O-N 3.18Å; L108-L113 WeakPolarHBondContact CB-O 3.4Å; L108-L113 PolarHBondContact N-O 3.43Å; L108-V115 HydrophobicContact CD1-CG2 3.68Å; L108-V115 HydrophobicContact CG-CG2 4.03Å
109L87.2Confident86.6Confident83 Ų8375.4 Ų75.444%0.43536%0.363SS..THydrogen-bonded Turntrans-71.7-36.3-171.3-70.6169.5000113.4T91 L93 W107T91-L109 HydrophobicContact CG2-CD1 4.49Å; T91-L109 PolarHBondContact O-N 3.41Å; L93-L109 HydrophobicContact CD1-CD2 4.16Å; L93-L109 HydrophobicContact CD2-CD1 4.33Å; L93-L109 HydrophobicContact CG-CD1 4.24Å; L93-L109 HydrophobicContact CG-CD2 4.14Å; L93-L109 HydrophobicContact CG-CG 4.36Å; W107-L109 PolarHBondContact O-N 3.42Å
110E85Confident87.1Confident135 Ų13574.4 Ų74.463%0.63136%0.364SS*.THydrogen-bonded Turntrans-81.1-36.9-178.9178.9-178.9-127.400111.5Q88Q88-E110 PolarHBondContact NE2-OE2 3.03Å
111Q84.8Confident87.7Confident57 Ų5768 Ų6827%0.26633%0.332SS..THydrogen-bonded Turntrans-90.4-15.2-177.8-65.869.530.400113.5L108 L113L108-Q111 HydrophobicContact CB-CB 4.07Å; L108-Q111 HydrophobicContact CD1-CB 4.36Å; L108-Q111 HydrophobicContact CD1-CG 4.46Å; Q111-L113 VanDerWaalsContact C-N 3.26Å; Q111-L113 PolarHBondContact O-N 3Å
112K87.1Confident88.2Confident156 Ų15662.2 Ų62.268%0.67831%0.306SS*.THydrogen-bonded Turntrans51.741.1-174.6-59.7-175.5-179.7-179.30113.6W107 L108W107-K112 HydrophobicContact CZ2-CB 4.24Å; L108-K112 VanDerWaalsContact O-CA 3.28Å; L108-K112 WeakPolarHBondContact O-CA 3.44Å; L108-K112 PolarHBondContact O-N 3.18Å
113L90.7Very high88.5Confident91 Ų9164.9 Ų64.948%0.47631%0.308SS..EExtended strand (participates in β ladder)trans-131.5140.9-177.5-75168.1000110L108 Q111L108-L113 WeakPolarHBondContact CB-O 3.4Å; L108-L113 PolarHBondContact N-O 3.43Å; Q111-L113 VanDerWaalsContact C-N 3.26Å; Q111-L113 PolarHBondContact O-N 3Å
114Q90.4Very high88.4Confident119 Ų11965.9 Ų65.956%0.55632%0.315SS*.EExtended strand (participates in β ladder)trans-80.6135.4171.1-174.3177.974.100109.8E95 T105 W107E95-Q114 WeakPolarHBondContact OE2-CG 3.31Å; E95-Q114 PolarHBondContact OE2-NE2 2.91Å; T105-Q114 VanDerWaalsContact CG2-CD 3.49Å; T105-Q114 HydrophobicContact CG2-CG 3.37Å; W107-Q114 HydrophobicContact CE3-CB 4.1Å; W107-Q114 HydrophobicContact CZ3-CB 4.26Å
115V90.3Very high87.8Confident19 Ų1966.1 Ų66.112%0.11532%0.317CS..EExtended strand (participates in β ladder)trans-132.1123.4177.3177.40000109.3Y85 V106 L108Y85-V115 HydrophobicContact CD2-CB 4.49Å; Y85-V115 HydrophobicContact CD2-CG1 3.93Å; Y85-V115 HydrophobicContact CD2-CG2 3.69Å; Y85-V115 HydrophobicContact CE2-CG1 4.31Å; Y85-V115 HydrophobicContact CE2-CG2 3.71Å; Y85-V115 HydrophobicContact CG-CG2 4.19Å; V106-V115 PolarHBondContact N-O 2.87Å; V106-V115 PolarHBondContact O-N 2.86Å; L108-V115 HydrophobicContact CD1-CG2 3.68Å; L108-V115 HydrophobicContact CG-CG2 4.03Å
116S88.5Confident86.7Confident77 Ų7773.6 Ų73.654%0.53835%0.35SS..EExtended strand (participates in β ladder)trans-83.3133162.252.40000109.8
117C88.1Confident84.3Confident11 Ų1181.6 Ų81.67%0.07439%0.392CS..EExtended strand (participates in β ladder)trans-144.4165.2179.554.30000109.2V83 Q103 V104 E121 V122V83-C117 HydrophobicContact CG1-CB 4.05Å; Q103-C117 CarbonylContact C-O 3.49Å; Q103-C117 WeakPolarHBondContact CA-O 3.38Å; V104-C117 PolarHBondContact N-O 2.83Å; V104-C117 PolarHBondContact O-N 2.84Å; V104-C117 PolarHBondContact O-SG 2.89Å; C117-E121 HydrophobicContact CB-CB 4.27Å; C117-V122 WeakPolarHBondContact SG-CG2 3.12Å
118R86.8Confident81.8Confident126 Ų12686 Ų8648%0.47542%0.417SS..EExtended strand (participates in β ladder)trans-78154179.7-59.6180-711540.2110.4G102 E120 E121G102-R118 CarbonylContact O-C 3.57Å; G102-R118 WeakPolarHBondContact O-CA 3.41Å; R118-E120 WeakPolarHBondContact CB-OE2 3.28Å; R118-E120 PolarHBondContact O-N 2.9Å; R118-E120 VanDerWaalsContact O-N 3.12Å; R118-E121 HydrophobicContact CB-CG 4.19Å; R118-E121 WeakPolarHBondContact CB-OE2 3.37Å; R118-E121 IonicContact CZ-OE1 3.5Å; R118-E121 PolarHBondContact N-OE2 3.07Å; R118-E121 IonicContact NE-OE1 2.66Å; R118-E121 PolarHBondContact NE-OE1 3Å; R118-E121 IonicContact NE-OE2 2.65Å; R118-E121 IonicContact NH2-OE1 3.19Å; R118-E121 PolarHBondContact NH2-OE1 3.41Å; R118-E121 WeakPolarHBondContact O-CA 3.43Å; R118-E121 WeakPolarHBondContact O-CB 3.43Å; R118-E121 PolarHBondContact O-N 3.02Å
119V85.3Confident78.9Confident28 Ų2888.8 Ų88.817%0.1745%0.445CS..G310 helixtrans-59.7-26.1-177.570.40000113F75 G102 V104 E121F75-V119 HydrophobicContact CD2-CG2 3.97Å; F75-V119 HydrophobicContact CE2-CG2 3.8Å; G102-V119 PolarHBondContact O-N 3.42Å; V104-V119 HydrophobicContact CG2-CB 4.11Å; V104-V119 HydrophobicContact CG2-CG2 4.07Å; V119-E121 VanDerWaalsContact C-N 3.32Å
120E84.3Confident76.4Confident119 Ų11991.4 Ų91.456%0.55647%0.467SS*.G310 helixtrans-80.2-8.6173.8-5086.9169.700114.1L70 R118L70-E120 HydrophobicContact CD2-CG 4.46Å; R118-E120 WeakPolarHBondContact CB-OE2 3.28Å; R118-E120 PolarHBondContact O-N 2.9Å; R118-E120 VanDerWaalsContact O-N 3.12Å
121E83.6Confident73.8Confident57 Ų5790.3 Ų90.327%0.26647%0.473SS..G310 helixtrans-100.612.1179.1-61.9168.6159.300112.1C117 R118 V119 W123C117-E121 HydrophobicContact CB-CB 4.27Å; R118-E121 HydrophobicContact CB-CG 4.19Å; R118-E121 WeakPolarHBondContact CB-OE2 3.37Å; R118-E121 IonicContact CZ-OE1 3.5Å; R118-E121 PolarHBondContact N-OE2 3.07Å; R118-E121 IonicContact NE-OE1 2.66Å; R118-E121 PolarHBondContact NE-OE1 3Å; R118-E121 IonicContact NE-OE2 2.65Å; R118-E121 IonicContact NH2-OE1 3.19Å; R118-E121 PolarHBondContact NH2-OE1 3.41Å; R118-E121 WeakPolarHBondContact O-CA 3.43Å; R118-E121 WeakPolarHBondContact O-CB 3.43Å; R118-E121 PolarHBondContact O-N 3.02Å; V119-E121 VanDerWaalsContact C-N 3.32Å; E121-W123 VanDerWaalsContact C-CZ3 3.46Å; E121-W123 WeakPolarHBondContact O-CZ3 3.43Å
122V85.7Confident71.4Confident11 Ų1193.4 Ų93.47%0.06750%0.498CS..EExtended strand (participates in β ladder)trans-125.9131.8178.5-171.40000109.9F75 V81 Y82 V83 V104 V106 C117F75-V122 HydrophobicContact CD1-CG1 4.31Å; F75-V122 HydrophobicContact CE1-CB 4.41Å; F75-V122 HydrophobicContact CE1-CG1 3.73Å; F75-V122 HydrophobicContact CE2-CB 3.94Å; F75-V122 HydrophobicContact CE2-CG1 4.07Å; F75-V122 HydrophobicContact CZ-CB 3.76Å; F75-V122 HydrophobicContact CZ-CG1 3.59Å; F75-V122 WeakPolarHBondContact CZ-O 3.39Å; V81-V122 HydrophobicContact CB-CG1 3.56Å; V81-V122 HydrophobicContact CG1-CG1 3.72Å; V81-V122 HydrophobicContact CG2-CG1 3.83Å; Y82-V122 WeakPolarHBondContact O-CA 3.39Å; V83-V122 HydrophobicContact CG2-CG1 4.33Å; V83-V122 HydrophobicContact CG2-CG2 4.14Å; V104-V122 HydrophobicContact CB-CG2 3.96Å; V104-V122 HydrophobicContact CG1-CG2 4.28Å; V104-V122 HydrophobicContact CG2-CG2 4.3Å; V106-V122 HydrophobicContact CG2-CG2 4.44Å; C117-V122 WeakPolarHBondContact SG-CG2 3.12Å
123W88.4Confident69Low83 Ų8395.1 Ų95.131%0.31451%0.508SS..EExtended strand (participates in β ladder)trans-127.1151.9170.145.4104.1000111.6V81 Y82 W84 E89 E121V81-W123 CarbonylContact C-O 3.56Å; V81-W123 VanDerWaalsContact CA-O 3.31Å; V81-W123 WeakPolarHBondContact CA-O 3.47Å; V81-W123 WeakPolarHBondContact CB-O 3.48Å; Y82-W123 PolarHBondContact N-O 3.48Å; Y82-W123 PolarHBondContact O-N 2.87Å; Y82-W123 VanDerWaalsContact O-N 3.07Å; W84-W123 HydrophobicContact CB-CH2 4.23Å; W84-W123 AromaticContact CD1-CH2 3.1Å; W84-W123 AromaticContact CD1-CZ2 3.89Å; W84-W123 AromaticContact CD1-CZ3 3.76Å; W84-W123 HydrophobicContact CD2-CH2 4.46Å; W84-W123 AromaticContact CG-CH2 3.71Å; W84-W123 HydrophobicContact CG-CH2 3.71Å; W84-W123 HydrophobicContact CG-CZ2 4.41Å; W84-W123 AromaticContact NE1-CH2 3.44Å; W84-W123 AromaticContact NE1-CZ2 3.79Å; E89-W123 HydrophobicContact CG-CZ2 4.17Å; E89-W123 PolarHBondContact OE1-NE1 3.48Å; E121-W123 VanDerWaalsContact C-CZ3 3.46Å; E121-W123 WeakPolarHBondContact O-CZ3 3.43Å
124L86.3Confident66.2Low92 Ų9295 Ų9548%0.48252%0.52SS..EExtended strand (participates in β ladder)trans-73.3128.9-172.1-154.2163.8000109.9Q79 E126Q79-L124 VanDerWaalsContact NE2-CD1 3.3Å; L124-E126 PolarHBondContact O-N 2.66Å
125A78.9Confident63.2Low5 Ų597.5 Ų97.54%0.04154%0.537CS..  trans-7594173.700000109.9K80 Y82 L127K80-A125 HydrophobicContact CB-CB 4.01Å; K80-A125 HydrophobicContact CD-CB 3.79Å; K80-A125 HydrophobicContact CG-CB 3.63Å; K80-A125 WeakPolarHBondContact O-CB 3.4Å; K80-A125 PolarHBondContact O-N 3.33Å; K80-A125 VanDerWaalsContact O-N 3.08Å; Y82-A125 HydrophobicContact CD2-CB 3.71Å; Y82-A125 HydrophobicContact CE2-CB 3.42Å; Y82-A125 VanDerWaalsContact CE2-CB 3.42Å; A125-L127 PolarHBondContact O-N 2.95Å
126E67.8Low61.1Low180 Ų180101.8 Ų101.884%0.84157%0.565SS**  trans-57.4131.6-174.8-155.7167.7-141.900111.6L124 Q128L124-E126 PolarHBondContact O-N 2.66Å; E126-Q128 PolarHBondContact O-N 3.38Å
127L45.4Very low58.4Low169 Ų169105.9 Ų105.989%0.88558%0.58SS**  trans-73.1101-171.3-73.9170.7000110.8A125 G129A125-L127 PolarHBondContact O-N 2.95Å; L127-G129 PolarHBondContact O-N 3.25Å
128Q40.3Very low55.9Low189 Ų189113.4 Ų113.488%0.88361%0.614SS**PPolyproline II helixtrans-59.6117.6169.2-69.7178.9-12.700109.9E126E126-Q128 PolarHBondContact O-N 3.38Å
129G31.2Very low53.7Low58 Ų58112.7 Ų112.760%0.59863%0.626SS**PPolyproline II helixtrans-67.2165177.600000113.1L127 C131L127-G129 PolarHBondContact O-N 3.25Å; G129-C131 PolarHBondContact O-N 3.32Å
130P35.5Very low51Low137 Ų137115 Ų11589%0.8966%0.656SS**PPolyproline II helixtrans-62129.1-172.9-23.434.6000113.5
131C30.5Very low48.6Very low113 Ų113113.8 Ų113.876%0.76467%0.666SS**PPolyproline II helixtrans-88.8129.1171.6-167.20000110.2G129G129-C131 PolarHBondContact O-N 3.32Å
132P35Very low46.3Very low122 Ų122120.9 Ų120.979%0.79270%0.699SS**PPolyproline II helixtrans-63.4141.1175.1-21.533.5000112.5
133Q35.8Very low44Very low191 Ų191125.2 Ų125.289%0.89374%0.736SS**PPolyproline II helixtrans-92.4133.9-177.6-69.3-163.11.900114.4
134A31.9Very low41.5Very low88 Ų88129.6 Ų129.673%0.72777%0.765SS**  trans23.5137.8140.800000122.5
135L28.2Very low39.5Very low172 Ų172129.5 Ų129.590%0.90178%0.777SS**  trans-136.1158.2137.9-76.1-178.6000110.2
136P45.3Very low37.4Very low109 Ų109140.5 Ų140.571%0.70882%0.819SS**  trans-127.3158-157.440.7-26.5000117.6
137L32Very low36.2Very low163 Ų163142.7 Ų142.785%0.85382%0.82SS**  trans179.5113.2147.8-117.970.1000106.1
138E35.5Very low36.5Very low169 Ų169140.3 Ų140.379%0.7981%0.814SS**  68.5146.480.7-73.9-66.395.600115.9
139P40.3Very low36.3Very low112 Ų112137.9 Ų137.973%0.72781%0.812SS**  -130.5149.3-60.234.3-18000113.2
140G28.9Very low37.8Very low77 Ų77141 Ų14179%0.79483%0.825SS**  trans-158.152.3-165.800000120.2
141A33.3Very low38.5Very low93 Ų93145.2 Ų145.277%0.76982%0.823SS**  trans55.4130153.200000122.4
142Q35.9Very low39.3Very low206 Ų206147.7 Ų147.796%0.96383%0.829SS**  trans79.4140.9162.3-58.9-175.26600118.3
143A38.3Very low40.3Very low102 Ų102149 Ų14984%0.84383%0.828SS**  trans-126.8143.1-168.900000112
144L36.4Very low41.1Very low175 Ų175146.1 Ų146.192%0.91682%0.818SS**  trans-151.6124.2155.6-114.7171000108.5
145A43.8Very low42.1Very low90 Ų90146.7 Ų146.774%0.74481%0.812SS**  trans-91.7131.3-174.800000111.6
146Y35.2Very low43.2Very low236 Ų236143 Ų14393%0.92580%0.799SS**  trans-148.7156.3156.7-118.3-84.3000111.5
147R41.5Very low43.4Very low225 Ų225147.3 Ų147.385%0.84981%0.807SS**  trans-77.1154.5-169.8-71.2-77.4-170.1148.84.4113.6
148P50.9Low44.5Very low119 Ų119150.4 Ų150.477%0.77381%0.807SS**  trans-81.5136.1175.732.7-34.3000113.1
149V36.4Very low44.9Very low139 Ų139149.9 Ų149.984%0.84280%0.802SS**  trans-139.4133.5156.8175.30000108.2R151V149-R151 PolarHBondContact O-N 3.12Å; V149-R151 VanDerWaalsContact O-N 3.09Å
150S63.2Low45.4Very low124 Ų124150.3 Ų150.387%0.86781%0.807SS**  trans-79.384.3-173.243.20000113.3
151R49.8Very low46.5Very low225 Ų225151.5 Ų151.585%0.84980%0.796SS**  trans-152.162170.2-151.5177.1-177.3171.71.9117.5V149V149-R151 PolarHBondContact O-N 3.12Å; V149-R151 VanDerWaalsContact O-N 3.09Å
152N47.7Very low47.7Very low165 Ų165151 Ų15188%0.88279%0.792SS**  trans-138.4112.9150.5-77.5-62.3000109.6
153I56.7Low49.1Very low150 Ų150146.3 Ų146.377%0.76978%0.777SS**  trans-74.4123.9143.8-63.7173.1000103.6V155I153-V155 HydrophobicContact CG2-CG2 4.27Å; I153-V155 PolarHBondContact O-N 3.03Å
154D51.7Low50.5Low130 Ų130150.1 Ų150.170%0.69578%0.777SS**  trans-67.993.3163.8-171.263.5000107P156D154-P156 WeakPolarHBondContact O-CD 3.14Å
155V52.1Low52.5Low99 Ų99146.9 Ų146.960%0.676%0.759SS**  trans-70.5108.9162.2176.50000103.8I153 K157I153-V155 HydrophobicContact CG2-CG2 4.27Å; I153-V155 PolarHBondContact O-N 3.03Å; V155-K157 PolarHBondContact O-N 3.34Å
156P52.8Low54.4Low96 Ų96146.8 Ų146.862%0.62375%0.746SS**  trans-55.3122.5-174.9-24.335000107D154 R158D154-P156 WeakPolarHBondContact O-CD 3.14Å; P156-R158 PolarHBondContact O-N 2.97Å
157K49.4Very low56.5Low199 Ų199143.7 Ų143.787%0.86574%0.74SS**  trans-52.2106.9-177.3-78.4-177.8179.7174.40107.1V155 K159V155-K157 PolarHBondContact O-N 3.34Å; K157-K159 PolarHBondContact O-N 3.4Å
158R54.4Low58.5Low228 Ų228139.2 Ų139.286%0.8673%0.73SS**  trans-61.5100.2169.2-75-166.4-179.1100.3-1.4105P156 S160P156-R158 PolarHBondContact O-N 2.97Å; R158-S160 PolarHBondContact O-N 2.96Å; R158-S160 VanDerWaalsContact O-N 3.11Å
159K45.1Very low60.3Low158 Ų158137.9 Ų137.969%0.68772%0.715SS**  trans-44.3123.3160.647.6168.1-174.4149.30105.3K157 D161K157-K159 PolarHBondContact O-N 3.4Å; K159-D161 HydrophobicContact CB-CB 4.38Å; K159-D161 HydrophobicContact CD-CB 3.94Å; K159-D161 HydrophobicContact CG-CB 4.05Å; K159-D161 IonicContact NZ-OD2 2.74Å; K159-D161 PolarHBondContact NZ-OD2 3.21Å; K159-D161 PolarHBondContact O-N 3.45Å
160S49.9Very low62.8Low120 Ų120132.7 Ų132.784%0.83969%0.687SS**  trans-76.646.5177.955.50000110.3R158 A162R158-S160 PolarHBondContact O-N 2.96Å; R158-S160 VanDerWaalsContact O-N 3.11Å; S160-A162 PolarHBondContact O-N 3.06Å
161D52.3Low63.9Low102 Ų102129.2 Ų129.255%0.54567%0.665SS.*  trans-74.351.9159.4-168.616.4000107.1K159 V163K159-D161 HydrophobicContact CB-CB 4.38Å; K159-D161 HydrophobicContact CD-CB 3.94Å; K159-D161 HydrophobicContact CG-CB 4.05Å; K159-D161 IonicContact NZ-OD2 2.74Å; K159-D161 PolarHBondContact NZ-OD2 3.21Å; K159-D161 PolarHBondContact O-N 3.45Å; D161-V163 PolarHBondContact O-N 3.02Å; D161-V163 VanDerWaalsContact O-N 3.07Å
162A58.9Low65.7Low84 Ų84123.1 Ų123.169%0.69465%0.648SS**  trans-78.484.6170.300000105.3S160 E164S160-A162 PolarHBondContact O-N 3.06Å; A162-E164 PolarHBondContact O-N 2.65Å
163V64.7Low67.6Low107 Ų107118.7 Ų118.765%0.64863%0.626SS**  trans-48.5118.9167.6176.80000106.9D161 M165D161-V163 PolarHBondContact O-N 3.02Å; D161-V163 VanDerWaalsContact O-N 3.07Å; V163-M165 VanDerWaalsContact C-N 3.3Å; V163-M165 PolarHBondContact O-N 3.19Å
164E66.9Low69Low182 Ų182117.3 Ų117.385%0.8562%0.62SS**  trans-67.991.2-175.5-171.5167.1-166.900108.6A162 D166A162-E164 PolarHBondContact O-N 2.65Å; E164-D166 PolarHBondContact O-N 3.46Å
165M78.3Confident70.3Confident106 Ų106115.1 Ų115.152%0.52261%0.611SS.*  trans-75.593.1180-172.267.465.300108.1V163 M169 A170V163-M165 VanDerWaalsContact C-N 3.3Å; V163-M165 PolarHBondContact O-N 3.19Å; M165-M169 HydrophobicContact SD-CB 3.69Å; M165-M169 HydrophobicContact SD-CE 4.09Å; M165-A170 HydrophobicContact CG-CB 4.03Å
166D84Confident71.6Confident88 Ų88114.5 Ų114.547%0.47161%0.611SS.*  trans-45.7145.6174.5169.965.9000112.3E164 M168 M169 A170E164-D166 PolarHBondContact O-N 3.46Å; D166-M168 PolarHBondContact O-N 2.78Å; D166-M168 WeakPolarHBondContact OD2-CA 3.35Å; D166-M168 WeakPolarHBondContact OD2-CB 3.49Å; D166-M168 PolarHBondContact OD2-N 3.16Å; D166-M169 HydrophobicContact CB-CE 4.45Å; D166-M169 PolarHBondContact O-N 3Å; D166-M169 PolarHBondContact OD2-N 2.94Å; D166-A170 PolarHBondContact O-N 2.94Å
167E80.6Confident72.9Confident171 Ų171116.1 Ų116.180%0.79961%0.614SS**Hα-helixtrans-61.2-31.9-173-61.3-169.1155.300112.4A171E167-A171 WeakPolarHBondContact O-CB 3.49Å; E167-A171 PolarHBondContact O-N 3.47Å
168M81.6Confident73.5Confident132 Ų132110.8 Ų110.865%0.6560%0.601SS**Hα-helixtrans-71.4-41.5174.8-170.9-179.117200111.4D166 A171 M172D166-M168 PolarHBondContact O-N 2.78Å; D166-M168 WeakPolarHBondContact OD2-CA 3.35Å; D166-M168 WeakPolarHBondContact OD2-CB 3.49Å; D166-M168 PolarHBondContact OD2-N 3.16Å; M168-A171 PolarHBondContact O-N 2.86Å; M168-M172 WeakPolarHBondContact O-CG 3.49Å; M168-M172 PolarHBondContact O-N 3.43Å
169M89.1Confident73.3Confident90 Ų90104.2 Ų104.244%0.44359%0.589SS.*Hα-helixtrans-66.3-41.1174.3-69.3-154.7-6400111.9M165 D166 A171 M172 V173M165-M169 HydrophobicContact SD-CB 3.69Å; M165-M169 HydrophobicContact SD-CE 4.09Å; D166-M169 HydrophobicContact CB-CE 4.45Å; D166-M169 PolarHBondContact O-N 3Å; D166-M169 PolarHBondContact OD2-N 2.94Å; M169-A171 VanDerWaalsContact C-N 3.33Å; M169-A171 PolarHBondContact O-N 2.94Å; M169-M172 HydrophobicContact CG-CE 4.13Å; M169-M172 PolarHBondContact O-N 2.83Å; M169-V173 WeakPolarHBondContact O-CG2 3.49Å; M169-V173 PolarHBondContact O-N 2.85Å
170A90.1Very high73.2Confident31 Ų31101.6 Ų101.626%0.25659%0.591SS.*Hα-helixtrans-59.4-43.4173.600000111.5M165 D166 V173 L174M165-A170 HydrophobicContact CG-CB 4.03Å; D166-A170 PolarHBondContact O-N 2.94Å; A170-V173 PolarHBondContact O-N 2.87Å; A170-L174 WeakPolarHBondContact O-CB 3.28Å; A170-L174 VanDerWaalsContact O-CG 3.3Å; A170-L174 WeakPolarHBondContact O-CG 3.1Å; A170-L174 PolarHBondContact O-N 3.47Å
171A85.3Confident73.1Confident50 Ų50101.6 Ų101.641%0.41359%0.588SS.*Hα-helixtrans-63.5-42.9175.200000112.6E167 M168 M169 L174 T175E167-A171 WeakPolarHBondContact O-CB 3.49Å; E167-A171 PolarHBondContact O-N 3.47Å; M168-A171 PolarHBondContact O-N 2.86Å; M169-A171 VanDerWaalsContact C-N 3.33Å; M169-A171 PolarHBondContact O-N 2.94Å; A171-L174 PolarHBondContact O-N 3.48Å; A171-T175 WeakPolarHBondContact O-CB 3.32Å; A171-T175 PolarHBondContact O-N 3.21Å; A171-T175 PolarHBondContact O-OG1 3.18Å
172M87.9Confident72.4Confident98 Ų98103 Ų10348%0.48360%0.6SS.*Hα-helixtrans-65.4-39.6176.6-72.2-170.3-62.800112.5M168 M169 T175 S176M168-M172 WeakPolarHBondContact O-CG 3.49Å; M168-M172 PolarHBondContact O-N 3.43Å; M169-M172 HydrophobicContact CG-CE 4.13Å; M169-M172 PolarHBondContact O-N 2.83Å; M172-T175 PolarHBondContact O-N 2.9Å; M172-S176 WeakPolarHBondContact O-CB 3.43Å; M172-S176 PolarHBondContact O-N 2.9Å; M172-S176 PolarHBondContact O-OG 2.89Å
173V88.7Confident71.7Confident72 Ų72105 Ų10544%0.43660%0.604SS.*Hα-helixtrans-65.1-47.4174.7170.10000110.9M169 A170 T175 S176 L177M169-V173 WeakPolarHBondContact O-CG2 3.49Å; M169-V173 PolarHBondContact O-N 2.85Å; A170-V173 PolarHBondContact O-N 2.87Å; V173-T175 VanDerWaalsContact C-N 3.33Å; V173-T175 PolarHBondContact O-N 3.44Å; V173-S176 PolarHBondContact O-N 3.33Å; V173-L177 HydrophobicContact CG1-CD1 3.85Å; V173-L177 HydrophobicContact CG1-CG 4.42Å; V173-L177 WeakPolarHBondContact O-CB 3.29Å; V173-L177 VanDerWaalsContact O-CG 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 3.45Å
174L84.2Confident70.5Confident120 Ų120108.4 Ų108.463%0.62861%0.612SS**Hα-helixtrans-62.3-38.9176.7-73169.8000112.4A170 A171 L177 S178A170-L174 WeakPolarHBondContact O-CB 3.28Å; A170-L174 VanDerWaalsContact O-CG 3.3Å; A170-L174 WeakPolarHBondContact O-CG 3.1Å; A170-L174 PolarHBondContact O-N 3.47Å; A171-L174 PolarHBondContact O-N 3.48Å; L174-L177 PolarHBondContact O-N 2.83Å; L174-S178 WeakPolarHBondContact O-CB 3.4Å; L174-S178 PolarHBondContact O-N 2.97Å
175T80.7Confident69Low85 Ų85104.7 Ų104.752%0.52161%0.606SS.*Hα-helixtrans-62.5-47.7173.9-55.90000110.5A171 M172 V173 L177 S178 C179A171-T175 WeakPolarHBondContact O-CB 3.32Å; A171-T175 PolarHBondContact O-N 3.21Å; A171-T175 PolarHBondContact O-OG1 3.18Å; M172-T175 PolarHBondContact O-N 2.9Å; V173-T175 VanDerWaalsContact C-N 3.33Å; V173-T175 PolarHBondContact O-N 3.44Å; T175-L177 VanDerWaalsContact C-N 3.32Å; T175-L177 PolarHBondContact O-N 3.32Å; T175-S178 PolarHBondContact O-N 3.21Å; T175-S178 VanDerWaalsContact O-N 3.09Å; T175-S178 PolarHBondContact O-OG 3.21Å; T175-C179 PolarHBondContact O-N 2.82Å
176S78.3Confident67.3Low85 Ų85105.4 Ų105.459%0.59462%0.619SS**Hα-helixtrans-61.4-38.5178.4-55.90000112.6M172 V173 C179M172-S176 WeakPolarHBondContact O-CB 3.43Å; M172-S176 PolarHBondContact O-N 2.9Å; M172-S176 PolarHBondContact O-OG 2.89Å; V173-S176 PolarHBondContact O-N 3.33Å; S176-C179 PolarHBondContact O-N 2.96Å
177L79.9Confident65.2Low131 Ų131107 Ų10769%0.68663%0.634SS**Hα-helixtrans-74.2-22.4176-68.9171.6000113.4V173 L174 T175 C179V173-L177 HydrophobicContact CG1-CD1 3.85Å; V173-L177 HydrophobicContact CG1-CG 4.42Å; V173-L177 WeakPolarHBondContact O-CB 3.29Å; V173-L177 VanDerWaalsContact O-CG 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 3.45Å; L174-L177 PolarHBondContact O-N 2.83Å; T175-L177 VanDerWaalsContact C-N 3.32Å; T175-L177 PolarHBondContact O-N 3.32Å; L177-C179 VanDerWaalsContact C-N 3.34Å
178S63.5Low62.8Low86 Ų86102 Ų10260%0.60163%0.629SS**Hα-helixtrans-76.2-22.8175.275.40000113.1L174 T175 S180L174-S178 WeakPolarHBondContact O-CB 3.4Å; L174-S178 PolarHBondContact O-N 2.97Å; T175-S178 PolarHBondContact O-N 3.21Å; T175-S178 VanDerWaalsContact O-N 3.09Å; T175-S178 PolarHBondContact O-OG 3.21Å; S178-S180 PolarHBondContact O-N 2.79Å
179C48.6Very low60.5Low90 Ų90101.8 Ų101.861%0.60864%0.635SS**SBendtrans-87.985.5174.7-67.60000110.9T175 S176 L177T175-C179 PolarHBondContact O-N 2.82Å; S176-C179 PolarHBondContact O-N 2.96Å; L177-C179 VanDerWaalsContact C-N 3.34Å
180S43.3Very low57.7Low104 Ų104105.5 Ų105.573%0.72765%0.651SS**  trans-55.1133.4170.3-66.40000111.1S178 V182S178-S180 PolarHBondContact O-N 2.79Å; S180-V182 PolarHBondContact O-N 3.38Å; S180-V182 VanDerWaalsContact O-N 3.16Å
181P47.3Very low55.1Low119 Ų119108.1 Ų108.177%0.77367%0.673SS**  trans-69.6114.7-176.727.2-34000111.1V183P181-V183 PolarHBondContact O-N 3.06Å
182V38.1Very low52.6Low131 Ų131111.9 Ų111.979%0.79469%0.686SS**  trans-65.2121.9163.2163.30000108.2S180 Q184S180-V182 PolarHBondContact O-N 3.38Å; S180-V182 VanDerWaalsContact O-N 3.16Å; V182-Q184 PolarHBondContact O-N 3.34Å
183V44Very low49.8Very low127 Ų127115.7 Ų115.777%0.7770%0.7SS**  trans-74.2114178.4178.20000109.6P181P181-V183 PolarHBondContact O-N 3.06Å
184Q40.4Very low47.2Very low178 Ų178117.9 Ų117.983%0.83272%0.719SS**  trans-132.2144.5156.2-71.2-165.3-10.100109.9V182V182-Q184 PolarHBondContact O-N 3.34Å
185S34.1Very low44.7Very low104 Ų104116.1 Ų116.173%0.72772%0.721SS**PPolyproline II helixtrans-93.2159.7-170.7-53.60000112
186P44.4Very low42.5Very low121 Ų121117.2 Ų117.279%0.78673%0.733SS**PPolyproline II helixtrans-88.2145.8-166.734.2-35.8000114.4
187P38.3Very low40.4Very low122 Ų122124.4 Ų124.479%0.79275%0.747SS**PPolyproline II helix-92.6155.9115.935.3-29.7000109.4
188G30.3Very low38Very low66 Ų66122.7 Ų122.768%0.6875%0.751SS**  cis125.1126.710.800000110
189T33Very low36.6Very low128 Ų128123.3 Ų123.379%0.78576%0.762SS**  trans82.696.8157.6-57.90000119.3
190E31.1Very low35.7Very low167 Ų167125.1 Ų125.178%0.7877%0.774SS**  trans84.6138.9144.8-55.8-13.7109.500126.2
191A34.9Very low35.8Very low86 Ų86127.5 Ų127.571%0.71178%0.779SS**  trans77.785.7137.700000124.1
192N33.3Very low35.5Very low130 Ų130127.5 Ų127.570%0.69578%0.779SS**  65141.1112.4-94.2-23.7000125.6
193F30.3Very low35.2Very low177 Ų177130.8 Ų130.878%0.77678%0.777SS**  trans59.795.1151.6-54.9-49.1000122.4
194S34.1Very low35Very low118 Ų118131.4 Ų131.483%0.82577%0.769SS**  44.2138.4107.9-156.20000122.5
195A30.5Very low34.6Very low83 Ų83129.6 Ų129.669%0.68676%0.761SS**  trans101.6114.7144.100000121.1
196S33.9Very low34.6Very low108 Ų108130.5 Ų130.576%0.75577%0.767SS**  trans81.1118.8130.8-64.90000123.1
197R34.4Very low34.2Very low236 Ų236128.3 Ų128.389%0.89177%0.766SS**  trans65.8107.4136-68.6-172.6175.8-174.6-0.6120.9
198A30.3Very low34.1Very low95 Ų95129.4 Ų129.479%0.78577%0.766SS**  63.9112.5115.600000121.2
199A34.2Very low34.7Very low100 Ų100131.9 Ų131.983%0.82677%0.768SS**  54.8116.5129.500000121
200C29.4Very low35.4Very low128 Ų128130.9 Ų130.987%0.86577%0.765SS**  -167.8126.9126.3-113.50000111.4
201D44.6Very low35.8Very low154 Ų154130.1 Ų130.182%0.82477%0.767SS**  trans-96128.3172.4-74.4-64.4000111.7
202P42Very low36.2Very low118 Ų118132.2 Ų132.277%0.76678%0.776SS**  trans-96.792.3168.7-9.730.1000113.9
203W32Very low36.5Very low201 Ų201129.4 Ų129.476%0.76178%0.778SS**  trans-20.1129.5147.542.4-69.9000114.5
204K39.9Very low37.1Very low139 Ų139126.6 Ų126.660%0.60478%0.781SS**  -175.7168.989.7-90.1-159.9177.1-76.30111.8
205E32Very low37.3Very low140 Ų140126.2 Ų126.265%0.65478%0.778SS**  cis179.1118.7-26.2179.9166.98900111.4
206S34.7Very low37.9Very low124 Ų124128.5 Ų128.587%0.86778%0.784SS**  trans-172.1131.9159.4-70.80000106.2
207G35.6Very low38.2Very low74 Ų74129.5 Ų129.576%0.76379%0.785SS**  cis107.811411.700000110.1
208D34.8Very low38.7Very low145 Ų145123.5 Ų123.578%0.77578%0.779SS**  cis-155.7174.1-2.965-71.1000113.7
209V44.3Very low39Very low119 Ų119121.8 Ų121.872%0.72177%0.771SS**  trans33.6114.4171.1-54.10000123.9
210S47.1Very low39Very low106 Ų106125.8 Ų125.874%0.74177%0.772SS**  69.5139.6124.7-58.50000125.9
211D39.5Very low39.6Very low152 Ų152130 Ų13081%0.81377%0.77SS**  trans85.2121.8146.9-65.1-17.2000124.1
212S44.3Very low39.2Very low129 Ų129127.8 Ų127.890%0.90277%0.767SS**  trans76.5122.6156.4-59.80000120
213G37.8Very low38.7Very low72 Ų72125.2 Ų125.274%0.74276%0.762SS**  trans-163.2-3-178.200000120
214S43Very low38.6Very low118 Ų118121.3 Ų121.383%0.82577%0.765SS**  trans64.1152.5173.8-60.40000117.8
215S39.4Very low38.3Very low109 Ų109120.2 Ų120.276%0.76278%0.775SS**  cis-156.4140.2-19.8-99.40000110.6
216T43.4Very low38.3Very low132 Ų132116.9 Ų116.981%0.8178%0.778SS**  trans-85.6-172.9160.6590000108.4
217T38.7Very low38.2Very low129 Ų129117.7 Ų117.779%0.79178%0.777SS**  -175.8176.657.8-166.10000111.7
218S46Very low38Very low109 Ų109119.7 Ų119.776%0.76278%0.78SS**  trans-102.2167-17659.50000113.1
219G36.2Very low38Very low60 Ų60118.4 Ų118.462%0.61978%0.778SS**  trans120132.3131.200000119.3
220H33.4Very low37.8Very low184 Ų184119 Ų11985%0.85278%0.783SS**  trans73.6177.814797.9-59.7000121.5
221W42.1Very low37.1Very low215 Ų215118.6 Ų118.681%0.81478%0.781SS**  trans-145.4130.8-149.545.8-82.3000112.1
222S37.3Very low36.9Very low109 Ų109117.1 Ų117.176%0.76278%0.78SS**  trans146.8148.5141.6-71.40000114.2
223G31.8Very low36.7Very low63 Ų63117.2 Ų117.265%0.64978%0.777SS**  123.437.511900000123.5
224S29.7Very low36.5Very low120 Ų120121.7 Ų121.784%0.83978%0.778SS**  trans70.5168.9156.9100.20000116
225S33.8Very low36.1Very low116 Ų116122 Ų12281%0.81178%0.777SS**  cis-153.1154.1-3.3-82.30000109.5
226G31.9Very low35.6Very low70 Ų70124.5 Ų124.572%0.72278%0.777SS**  trans121119.614800000119.6
227V32.9Very low35Very low140 Ų140122.1 Ų122.185%0.84877%0.771SS**  trans46.393143.365.60000120.9
228S30.1Very low34.6Very low116 Ų116121.3 Ų121.381%0.81177%0.77SS**  179.2145.5110.6-77.60000113.6
229T35.8Very low34.4Very low119 Ų119122.4 Ų122.473%0.7378%0.775SS**  trans-87.4159.8174-13.30000110.9
230P40.1Very low34.4Very low130 Ų130129 Ų12984%0.84479%0.787SS**  -138.4163.480.534.2-17.3000115.4
231S32Very low34.3Very low99 Ų99130.2 Ų130.269%0.69279%0.785SS**PPolyproline II helixtrans-97.8151.4-172.2-510000113.7
232P34.9Very low34Very low121 Ų121127.4 Ų127.479%0.78679%0.785SS**PPolyproline II helixtrans-79.2144.6165.833.1-33.6000111.9
233P39.6Very low33.6Very low130 Ų130125 Ų12584%0.84478%0.778SS**PPolyproline II helixtrans-82.3165-179.232.8-35.4000114.3
234H33.8Very low33.6Very low166 Ų166130 Ų13077%0.76979%0.79SS**PPolyproline II helixtrans-101.4142.6-172.6-147.296000111.4
235P34.4Very low33.8Very low124 Ų124127.8 Ų127.881%0.80578%0.778SS**PPolyproline II helixtrans-94.5123.6161.333-27.3000110.5
236Q30.7Very low33.8Very low163 Ų163132.2 Ų132.276%0.76278%0.783SS**  trans-140.2137.7-178.4-136.9-81.7-65.700111.1
237A29.1Very low33.7Very low82 Ų82132.9 Ų132.968%0.67879%0.79SS**  trans64.1142.216900000119.8
238S30.8Very low33.8Very low111 Ų111131.9 Ų131.978%0.77679%0.789SS**  trans-87.6168.1161.9-42.80000110.3
239P42.4Very low34.4Very low133 Ų133132.4 Ų132.486%0.86479%0.79SS**  -138.2-146.9101.938.5-25000113.4
240K35.8Very low34.3Very low199 Ų199135.6 Ų135.687%0.86580%0.796SS**  trans-123.7162.8-156.9-54.2171.7-179.4174.70113.7
241Y31Very low34.1Very low209 Ų209135.1 Ų135.182%0.8279%0.791SS**  trans99.8139.9138.3-146.5-116.4000119.2
242L36.4Very low34.2Very low156 Ų156136.2 Ų136.282%0.81779%0.789SS**  trans61.6148.5179.5-68.2160.3000116.9
243G29.3Very low34.4Very low58 Ų58138.4 Ų138.460%0.59879%0.789SS**  cis168.9138.5-8.900000112.2
244D32.1Very low34.2Very low169 Ų169135.8 Ų135.890%0.90479%0.785SS**  trans58.4163.4179.4-67.4-53.7000115.7
245A33.4Very low34.1Very low72 Ų72137 Ų13760%0.59579%0.788SS**  cis-147.9162.9-2.800000111.4
246F33.1Very low34.4Very low210 Ų210140 Ų14092%0.92179%0.792SS**  trans23.2127.1158.5-50.5-69000122.3
247G30.8Very low35.2Very low83 Ų83137.9 Ų137.986%0.85679%0.79SS**  trans172.899.216100000114
248S33.8Very low35.5Very low120 Ų120140.4 Ų140.484%0.83979%0.792SS**  trans-87154.3171.2-133.60000110.4
249P43.8Very low36.1Very low126 Ų126140.3 Ų140.382%0.81879%0.789SS**  trans-78.3153.3-173.432.8-35.4000112.6
250Q32.2Very low35.9Very low187 Ų187139.1 Ų139.187%0.87478%0.775SS**  trans-121.1140.2168.2-166.1174.7-50.500110.5
251T36.7Very low36.7Very low119 Ų119134.9 Ų134.973%0.7377%0.768SS**  trans-63.316617145.90000111
252D33.5Very low37.3Very low122 Ų122133.4 Ų133.465%0.65277%0.766SS**  -171.5173.354.2-158.9-18000111.5
253H39.9Very low37.5Very low168 Ų168133.3 Ų133.378%0.77877%0.766SS**  trans70.9129.8168.2-41.6-30.8000117
254G35.1Very low37.9Very low74 Ų74137.7 Ų137.776%0.76378%0.775SS**  cis151.7112.9-12.500000114.2
255F32.7Very low38.6Very low191 Ų191136.8 Ų136.884%0.83877%0.77SS**  trans-159.7130136.365.3-83000109.6
256E39.4Very low39.1Very low188 Ų188140 Ų14088%0.87977%0.773SS**  trans-91.3138.5157.2-90.1-156.398.600108.5
257T47.1Very low39.5Very low119 Ų119135 Ų13573%0.7376%0.761SS**  trans-151.397.6161.2-56.30000109.1
258D35.4Very low39.8Very low134 Ų134132.3 Ų132.372%0.71773%0.731SS**  trans51111.4144.6-158.825.7000120.2D260D258-D260 PolarHBondContact O-N 2.95Å
259P44.5Very low40.5Very low110 Ų110132.9 Ų132.971%0.71473%0.732SS**  trans-87.990.4167.334.8-30.5000111.9P261P259-P261 VanDerWaalsContact O-CD 3.24Å; P259-P261 WeakPolarHBondContact O-CD 3.42Å
260D38.3Very low41.2Very low107 Ų107137.6 Ų137.657%0.57273%0.733SS**  trans-54118.2170.5178.8-2.1000111.1D258 F262D258-D260 PolarHBondContact O-N 2.95Å; D260-F262 VanDerWaalsContact C-N 3.32Å; D260-F262 PolarHBondContact O-N 3.3Å; D260-F262 PolarHBondContact OD1-N 3.39Å
261P52.7Low42.1Very low110 Ų110138.1 Ų138.171%0.71473%0.733SS**SBendtrans-77.5-2-175.7-16.231.9000116.3P259P259-P261 VanDerWaalsContact O-CD 3.24Å; P259-P261 WeakPolarHBondContact O-CD 3.42Å
262F42.3Very low42.8Very low179 Ų179143.6 Ų143.679%0.78574%0.74SS**  trans-128.444.6-162.1-82.1-77.6000117.7D260D260-F262 VanDerWaalsContact C-N 3.32Å; D260-F262 PolarHBondContact O-N 3.3Å; D260-F262 PolarHBondContact OD1-N 3.39Å
263L40.7Very low43.8Very low154 Ų154145.3 Ų145.381%0.80674%0.742SS**SBendtrans-125.3110.1163.1-73.7178.1000114.2
264L39Very low44Very low150 Ų150142 Ų14279%0.78573%0.73SS**  trans42.5101.3154.3-131.973.8000117.9E266L264-E266 VanDerWaalsContact C-N 3.27Å; L264-E266 PolarHBondContact O-N 2.94Å
265D46Very low44.9Very low150 Ų150141.6 Ų141.680%0.80272%0.715SS**  trans-6494.6149-179.5-123.8000107.8P267D265-P267 WeakPolarHBondContact O-CD 3.43Å
266E43.8Very low46.1Very low139 Ų139136.3 Ų136.365%0.6570%0.698SS**  trans-88.4101166.1-170.6-157.1100.200108.3L264 A268L264-E266 VanDerWaalsContact C-N 3.27Å; L264-E266 PolarHBondContact O-N 2.94Å; E266-A268 PolarHBondContact O-N 2.94Å
267P41.3Very low47.7Very low105 Ų105131.8 Ų131.868%0.68268%0.676SS**  trans-73.374.8172.131.2-37.4000110D265D265-P267 WeakPolarHBondContact O-CD 3.43Å
268A36.8Very low49.7Very low27 Ų27126.5 Ų126.522%0.22364%0.643CS.*  trans-43134.4175.800000110.1E266 R270E266-A268 PolarHBondContact O-N 2.94Å; A268-R270 PolarHBondContact O-N 2.68Å
269P48.9Very low52.5Low131 Ų131122.1 Ų122.185%0.85162%0.619SS**  trans-7453.2-159.628.1-36.7000115.8K271P269-K271 PolarHBondContact O-N 3.43Å
270R58.1Low55Low225 Ų225117.9 Ų117.985%0.84959%0.589SS**SBendtrans-8183.4-176.5-60.1176-167.9160.47.5110.4A268A268-R270 PolarHBondContact O-N 2.68Å
271K52.3Low57.7Low199 Ų199117 Ų11787%0.86558%0.58SS**  trans53.372.9176.9-73.4-172.3172.7179.70114.5P269 K273P269-K271 PolarHBondContact O-N 3.43Å; K271-K273 PolarHBondContact O-N 2.98Å
272R50.2Low59.8Low233 Ų233111.8 Ų111.888%0.87955%0.546SS*.  trans-53112.3167.7-165.9-179-164.9-166.67.2110.2N274R272-N274 VanDerWaalsContact C-N 3.3Å; R272-N274 PolarHBondContact O-N 2.94Å
273K54.4Low62.3Low159 Ų159107.4 Ų107.469%0.69153%0.53SS*.  trans-7578.7-177-173.2160.965.3-177.50111.2K271 S275K271-K273 PolarHBondContact O-N 2.98Å; K273-S275 WeakPolarHBondContact CG-OG 3.49Å; K273-S275 PolarHBondContact O-N 2.99Å
274N45.6Very low64.9Low99 Ų99102.7 Ų102.753%0.52950%0.502SS..THydrogen-bonded Turntrans-72.951.3176-163.118.5000112.7R272 V278R272-N274 VanDerWaalsContact C-N 3.3Å; R272-N274 PolarHBondContact O-N 2.94Å; N274-V278 WeakPolarHBondContact O-CG2 3.45Å
275S53.3Low67.4Low64 Ų64100.2 Ų100.245%0.44850%0.495SS..THydrogen-bonded Turntrans-129.9-1.9173.779.20000112.4K273K273-S275 WeakPolarHBondContact CG-OG 3.49Å; K273-S275 PolarHBondContact O-N 2.99Å
276V58Low69.5Low80 Ų80101 Ų10149%0.48550%0.499SS..SBendtrans-89.8-28.6175.5-176.10000111.1R292V276-R292 PolarHBondContact O-NH2 2.99Å
277K73Confident71.9Confident94 Ų9495.4 Ų95.441%0.40948%0.475SS..SBendtrans-102.16.3177.7-57-161.5-178.5-163.70114M328 E330K277-M328 WeakPolarHBondContact O-CB 3.13Å; K277-M328 PolarHBondContact O-N 2.93Å; K277-E330 WeakPolarHBondContact CE-OE2 3.05Å; K277-E330 IonicContact NZ-OE2 2.57Å; K277-E330 PolarHBondContact NZ-OE2 2.8Å
278V89.4Confident74.2Confident8 Ų892.2 Ų92.25%0.04846%0.461CS..EExtended strand (participates in β ladder)trans-106.6131.8174.6-175.30000109.6N274 Y280 E325N274-V278 WeakPolarHBondContact O-CG2 3.45Å; V278-Y280 HydrophobicContact CG1-CE1 4.03Å; V278-Y280 HydrophobicContact CG1-CE2 3.92Å; V278-Y280 WeakPolarHBondContact CG1-OH 3.21Å; V278-E325 HydrophobicContact CG1-CB 4.25Å
279M94.1Very high77Confident42 Ų4295.8 Ų95.821%0.20747%0.471CS..EExtended strand (participates in β ladder)trans-124.6153.4171.8-118-174.4-63.200109.8V290 R292 M326 M328M279-V290 HydrophobicContact CB-CG1 3.72Å; M279-V290 HydrophobicContact CG-CG1 3.76Å; M279-V290 HydrophobicContact SD-CB 4.26Å; M279-V290 HydrophobicContact SD-CG1 3.58Å; M279-V290 VanDerWaalsContact SD-CG1 3.58Å; M279-R292 HydrophobicContact CG-CG 3.87Å; M279-R292 HydrophobicContact SD-CG 4.26Å; M279-M326 PolarHBondContact N-O 3.02Å; M279-M326 PolarHBondContact O-N 3.4Å; M279-M328 HydrophobicContact CE-CE 4.29Å; M279-M328 HydrophobicContact CE-SD 3.63Å
280Y96.1Very high79.2Confident20 Ų2092.4 Ų92.48%0.07845%0.449CS..EExtended strand (participates in β ladder)trans-118.6114.9-174.3-58.6-87.7000108.4V278 V290 L291 I294 I297 Y323 T324 E325V278-Y280 HydrophobicContact CG1-CE1 4.03Å; V278-Y280 HydrophobicContact CG1-CE2 3.92Å; V278-Y280 WeakPolarHBondContact CG1-OH 3.21Å; Y280-V290 CarbonylContact O-C 3.45Å; Y280-V290 VanDerWaalsContact O-CA 3.29Å; Y280-V290 WeakPolarHBondContact O-CA 3.25Å; Y280-L291 WeakPolarHBondContact CD2-O 3.24Å; Y280-L291 PolarHBondContact N-O 2.62Å; Y280-L291 PolarHBondContact O-N 2.91Å; Y280-I294 HydrophobicContact CD1-CG1 3.96Å; Y280-I294 HydrophobicContact CD2-CG1 4.44Å; Y280-I294 HydrophobicContact CE1-CD1 4.06Å; Y280-I294 HydrophobicContact CE1-CG1 3.33Å; Y280-I294 HydrophobicContact CE2-CG1 3.9Å; Y280-I294 HydrophobicContact CG-CG1 4.49Å; Y280-I297 HydrophobicContact CG-CG2 4.44Å; Y280-I297 VanDerWaalsContact O-CD1 3.24Å; Y280-I297 WeakPolarHBondContact O-CD1 3.41Å; Y280-Y323 AromaticContact CD1-CD2 3.99Å; Y280-Y323 HydrophobicContact CD1-CD2 3.99Å; Y280-Y323 AromaticContact CD1-CE2 3.86Å; Y280-Y323 HydrophobicContact CD1-CE2 3.86Å; Y280-Y323 HydrophobicContact CE1-CE2 4.43Å; Y280-T324 WeakPolarHBondContact CA-O 3.33Å; Y280-E325 HydrophobicContact CD1-CB 4.34Å; Y280-E325 HydrophobicContact CD1-CG 3.88Å; Y280-E325 HydrophobicContact CE1-CB 4.12Å; Y280-E325 VanDerWaalsContact CE1-CD 3.44Å; Y280-E325 HydrophobicContact CE1-CG 3.6Å
281K95.9Very high81Confident88 Ų8884.8 Ų84.838%0.38342%0.424SS..EExtended strand (participates in β ladder)trans-97.7129.8-179.7175.1174.7178.4-175.30110V290 Y323 T324 M326K281-V290 HydrophobicContact CB-CG1 4.27Å; K281-V290 HydrophobicContact CB-CG2 4.13Å; K281-V290 HydrophobicContact CG-CG2 4.15Å; K281-Y323 CarbonylContact O-C 3.57Å; K281-Y323 WeakPolarHBondContact O-CA 3.46Å; K281-Y323 WeakPolarHBondContact O-CB 3.03Å; K281-T324 PolarHBondContact N-O 3.06Å; K281-T324 PolarHBondContact O-N 2.87Å; K281-M326 HydrophobicContact CB-CG 4.39Å; K281-M326 HydrophobicContact CB-SD 3.63Å; K281-M326 HydrophobicContact CD-SD 3.79Å; K281-M326 HydrophobicContact CG-SD 4.31Å
282C96.6Very high83Confident1 Ų182 Ų821%0.00741%0.408CS..EExtended strand (participates in β ladder)trans-71.5132.5169.9-173.50000110.3W284 K289 I297 Y322C282-W284 VanDerWaalsContact SG-CB 3.6Å; C282-W284 PolarHBondContact SG-N 3.24Å; C282-K289 PolarHBondContact N-O 2.79Å; C282-I297 HydrophobicContact CB-CD1 4.11Å; C282-Y322 WeakPolarHBondContact CA-O 3.34Å
283L95.1Very high85Confident88 Ų8873.6 Ų73.646%0.46139%0.385SS..  trans-93.7-1.9178.6-60-174.7000113.5Y322 T324L283-Y322 PolarHBondContact N-O 3.34Å; L283-T324 WeakPolarHBondContact CD1-OG1 3.37Å
284W94.3Very high86.9Confident54 Ų5468.9 Ų68.921%0.20537%0.367CS..SBendtrans-61.8138.7-177.6-157-85.1000111.2C282 N286 C287 H305 L306 Y322C282-W284 VanDerWaalsContact SG-CB 3.6Å; C282-W284 PolarHBondContact SG-N 3.24Å; W284-N286 PolarHBondContact O-N 3.09Å; W284-C287 HydrophobicContact CB-CB 3.94Å; W284-C287 WeakPolarHBondContact O-CB 3.15Å; W284-C287 PolarHBondContact O-N 3.12Å; W284-H305 VanDerWaalsContact CB-CD2 3.49Å; W284-H305 WeakPolarHBondContact CB-CD2 3.07Å; W284-H305 AromaticContact CD1-CE1 3.81Å; W284-H305 AromaticContact CD1-CG 3.77Å; W284-H305 AromaticContact CD1-ND1 3.53Å; W284-H305 HydrophobicContact CD2-CB 3.47Å; W284-H305 VanDerWaalsContact CD2-CB 3.47Å; W284-H305 AromaticContact CD2-CD2 3.81Å; W284-H305 AromaticContact CD2-CG 3.51Å; W284-H305 AromaticContact CE2-CG 3.82Å; W284-H305 HydrophobicContact CE3-CB 3.57Å; W284-H305 AromaticContact CE3-CG 3.98Å; W284-H305 HydrophobicContact CG-CB 4.05Å; W284-H305 AromaticContact CG-CD2 3.5Å; W284-H305 VanDerWaalsContact CG-CD2 3.5Å; W284-H305 AromaticContact CG-CG 3.51Å; W284-H305 AromaticContact CG-ND1 3.74Å; W284-H305 HydrophobicContact CH2-CB 3.87Å; W284-H305 HydrophobicContact CZ2-CB 3.78Å; W284-H305 HydrophobicContact CZ3-CB 3.76Å; W284-H305 AromaticContact NE1-CE1 3.74Å; W284-H305 AromaticContact NE1-CG 3.95Å; W284-H305 AromaticContact NE1-ND1 3.75Å; W284-L306 HydrophobicContact CE3-CD1 4.47Å; W284-L306 HydrophobicContact CH2-CD1 4.1Å; W284-L306 HydrophobicContact CH2-CG 4.49Å; W284-L306 HydrophobicContact CZ3-CD1 3.63Å; W284-L306 HydrophobicContact CZ3-CG 4.41Å; W284-Y322 AromaticContact CE3-CD1 3.48Å; W284-Y322 HydrophobicContact CE3-CD1 3.48Å; W284-Y322 VanDerWaalsContact CE3-CD1 3.48Å; W284-Y322 HydrophobicContact CE3-CD2 4.13Å; W284-Y322 AromaticContact CE3-CE1 3.79Å; W284-Y322 HydrophobicContact CE3-CE1 3.79Å; W284-Y322 HydrophobicContact CE3-CE2 4.39Å; W284-Y322 AromaticContact CE3-CG 3.67Å; W284-Y322 HydrophobicContact CE3-CG 3.67Å; W284-Y322 HydrophobicContact CH2-CE1 4.47Å; W284-Y322 AromaticContact CZ3-CD1 3.68Å; W284-Y322 HydrophobicContact CZ3-CD1 3.68Å; W284-Y322 AromaticContact CZ3-CD2 3.76Å; W284-Y322 HydrophobicContact CZ3-CD2 3.76Å; W284-Y322 AromaticContact CZ3-CE1 3.58Å; W284-Y322 HydrophobicContact CZ3-CE1 3.58Å; W284-Y322 AromaticContact CZ3-CE2 3.65Å; W284-Y322 HydrophobicContact CZ3-CE2 3.65Å; W284-Y322 AromaticContact CZ3-CG 3.77Å; W284-Y322 HydrophobicContact CZ3-CG 3.77Å; W284-Y322 AromaticContact CZ3-CZ 3.56Å
285P93Very high89.2Confident98 Ų9868.5 Ų68.564%0.63637%0.368SS*.THydrogen-bonded Turntrans-45.4132.3177.1-32.436.3000112.8C287P285-C287 PolarHBondContact O-N 3.01Å
286N89.1Confident91.2Very high168 Ų16866.4 Ų66.490%0.89836%0.356SS*.THydrogen-bonded Turntrans57.76.3-179.7-55.1-27.8000116.6W284W284-N286 PolarHBondContact O-N 3.09Å
287C94.1Very high92.9Very high20 Ų2062.6 Ų62.614%0.13533%0.333CS..THydrogen-bonded Turntrans-89.7-58.3-176.7-175.30000113.6W284 P285 K289 H300 H305W284-C287 HydrophobicContact CB-CB 3.94Å; W284-C287 WeakPolarHBondContact O-CB 3.15Å; W284-C287 PolarHBondContact O-N 3.12Å; P285-C287 PolarHBondContact O-N 3.01Å; C287-K289 PolarHBondContact O-N 3.2Å; C287-H300 PolarHBondContact SG-CE1 3.01Å; C287-H300 PolarHBondContact SG-NE2 3.41Å; C287-H305 WeakPolarHBondContact CB-NE2 3.31Å
288G90.6Very high93.9Very high38 Ų3860 Ų6039%0.39232%0.322SS..  trans60.9-2.8175.300000118.1V290G288-V290 WeakPolarHBondContact O-CG2 3.4Å; G288-V290 PolarHBondContact O-N 3.19Å
289K94.8Very high94.2Very high102 Ų10267.9 Ų67.944%0.44335%0.351SS..  trans-58.3135.1-171.6-65.3-177.3-164.3-177.50112C282 C287 L304C282-K289 PolarHBondContact N-O 2.79Å; C287-K289 PolarHBondContact O-N 3.2Å; K289-L304 VanDerWaalsContact NZ-CD1 3.33Å
290V95.6Very high94.2Very high61 Ų6166.8 Ų66.837%0.3735%0.345SS..EExtended strand (participates in β ladder)trans-116128.9179.3-159.60000109.9M279 Y280 K281 G288M279-V290 HydrophobicContact CB-CG1 3.72Å; M279-V290 HydrophobicContact CG-CG1 3.76Å; M279-V290 HydrophobicContact SD-CB 4.26Å; M279-V290 HydrophobicContact SD-CG1 3.58Å; M279-V290 VanDerWaalsContact SD-CG1 3.58Å; Y280-V290 CarbonylContact O-C 3.45Å; Y280-V290 VanDerWaalsContact O-CA 3.29Å; Y280-V290 WeakPolarHBondContact O-CA 3.25Å; K281-V290 HydrophobicContact CB-CG1 4.27Å; K281-V290 HydrophobicContact CB-CG2 4.13Å; K281-V290 HydrophobicContact CG-CG2 4.15Å; G288-V290 WeakPolarHBondContact O-CG2 3.4Å; G288-V290 PolarHBondContact O-N 3.19Å
291L94.7Very high94.1Very high65 Ų6565.8 Ų65.834%0.3434%0.341SS..EExtended strand (participates in β ladder)trans-130150.1-177.2-65.7177000111.7Y280 S293 G296 I297 H300Y280-L291 WeakPolarHBondContact CD2-O 3.24Å; Y280-L291 PolarHBondContact N-O 2.62Å; Y280-L291 PolarHBondContact O-N 2.91Å; L291-S293 PolarHBondContact O-N 2.93Å; L291-G296 VanDerWaalsContact CD1-C 3.49Å; L291-G296 WeakPolarHBondContact CD1-O 3.48Å; L291-I297 HydrophobicContact CB-CD1 4.06Å; L291-I297 HydrophobicContact CD1-CD1 3.98Å; L291-I297 HydrophobicContact CG-CD1 4.03Å; L291-H300 HydrophobicContact CD1-CB 4.16Å
292R94.5Very high93.8Very high141 Ų14164.3 Ų64.353%0.53234%0.335SS..SBendtrans-84.721.8-178.3-58.5175.566.175.44.5113.5V276 M279V276-R292 PolarHBondContact O-NH2 2.99Å; M279-R292 HydrophobicContact CG-CG 3.87Å; M279-R292 HydrophobicContact SD-CG 4.26Å
293S93.6Very high93.6Very high55 Ų5567.6 Ų67.639%0.38536%0.361SS..  trans-158.1132.6-176-178.80000113L291 V295 G296 I297L291-S293 PolarHBondContact O-N 2.93Å; S293-V295 VanDerWaalsContact C-N 3.29Å; S293-V295 PolarHBondContact O-N 2.78Å; S293-V295 PolarHBondContact OG-N 3.44Å; S293-G296 WeakPolarHBondContact O-CA 3.37Å; S293-G296 PolarHBondContact O-N 2.89Å; S293-I297 PolarHBondContact O-N 2.57Å
294I93.5Very high93.4Very high60 Ų6068 Ų6831%0.30836%0.364SS..Hα-helixtrans-54.7-44.1171.1-58.1171.2000111.2Y280 G296 I297 K298 Y323Y280-I294 HydrophobicContact CD1-CG1 3.96Å; Y280-I294 HydrophobicContact CD2-CG1 4.44Å; Y280-I294 HydrophobicContact CE1-CD1 4.06Å; Y280-I294 HydrophobicContact CE1-CG1 3.33Å; Y280-I294 HydrophobicContact CE2-CG1 3.9Å; Y280-I294 HydrophobicContact CG-CG1 4.49Å; I294-G296 VanDerWaalsContact C-N 3.26Å; I294-G296 PolarHBondContact O-N 2.75Å; I294-I297 WeakPolarHBondContact O-CG2 3.4Å; I294-I297 PolarHBondContact O-N 2.92Å; I294-K298 HydrophobicContact CG2-CD 3.86Å; I294-K298 HydrophobicContact CG2-CG 4.32Å; I294-K298 WeakPolarHBondContact O-CB 3.19Å; I294-K298 WeakPolarHBondContact O-CG 3.41Å; I294-K298 PolarHBondContact O-N 3.35Å; I294-Y323 WeakPolarHBondContact CG2-OH 3.45Å
295V93.9Very high93.3Very high92 Ų9268.4 Ų68.456%0.55837%0.368SS*.Hα-helixtrans-67.8-31.3179.7-176.10000110.9S293 R299S293-V295 VanDerWaalsContact C-N 3.29Å; S293-V295 PolarHBondContact O-N 2.78Å; S293-V295 PolarHBondContact OG-N 3.44Å; V295-R299 WeakPolarHBondContact O-CB 3.33Å; V295-R299 PolarHBondContact O-N 2.66Å
296G94.4Very high92.9Very high19 Ų1965 Ų6520%0.19634%0.344CS..Hα-helixtrans-66.5-49.917200000112.2L291 S293 I294 R299 H300L291-G296 VanDerWaalsContact CD1-C 3.49Å; L291-G296 WeakPolarHBondContact CD1-O 3.48Å; S293-G296 WeakPolarHBondContact O-CA 3.37Å; S293-G296 PolarHBondContact O-N 2.89Å; I294-G296 VanDerWaalsContact C-N 3.26Å; I294-G296 PolarHBondContact O-N 2.75Å; G296-R299 PolarHBondContact O-N 3.42Å; G296-H300 WeakPolarHBondContact O-CB 3.15Å; G296-H300 PolarHBondContact O-N 3.13Å
297I95.3Very high92.2Very high0 Ų058.5 Ų58.50%032%0.316CS..Hα-helixtrans-69-44.3-176.4-148.970.3000112Y280 C282 L291 S293 I294 R299 H300 I301 Y323Y280-I297 HydrophobicContact CG-CG2 4.44Å; Y280-I297 VanDerWaalsContact O-CD1 3.24Å; Y280-I297 WeakPolarHBondContact O-CD1 3.41Å; C282-I297 HydrophobicContact CB-CD1 4.11Å; L291-I297 HydrophobicContact CB-CD1 4.06Å; L291-I297 HydrophobicContact CD1-CD1 3.98Å; L291-I297 HydrophobicContact CG-CD1 4.03Å; S293-I297 PolarHBondContact O-N 2.57Å; I294-I297 WeakPolarHBondContact O-CG2 3.4Å; I294-I297 PolarHBondContact O-N 2.92Å; I297-R299 PolarHBondContact O-N 2.78Å; I297-H300 WeakPolarHBondContact O-CB 3.14Å; I297-H300 PolarHBondContact O-N 2.8Å; I297-I301 HydrophobicContact CG1-CD1 4.03Å; I297-I301 WeakPolarHBondContact O-CB 3.48Å; I297-I301 WeakPolarHBondContact O-CD1 3.44Å; I297-I301 WeakPolarHBondContact O-CG1 3.22Å; I297-I301 PolarHBondContact O-N 3.09Å; I297-Y323 HydrophobicContact CG1-CG 4.43Å; I297-Y323 HydrophobicContact CG2-CD1 3.48Å; I297-Y323 VanDerWaalsContact CG2-CD1 3.48Å; I297-Y323 HydrophobicContact CG2-CD2 4.02Å; I297-Y323 HydrophobicContact CG2-CE1 3.86Å; I297-Y323 HydrophobicContact CG2-CE2 4.39Å; I297-Y323 HydrophobicContact CG2-CG 3.56Å
298K93.8Very high90.8Very high41 Ų4164.2 Ų64.218%0.17835%0.346CS..Hα-helixtrans-57.4-46.4173.1-75.2173.6167.8-720111.8I294 H300 I301 K302 E319 D320 Y323I294-K298 HydrophobicContact CG2-CD 3.86Å; I294-K298 HydrophobicContact CG2-CG 4.32Å; I294-K298 WeakPolarHBondContact O-CB 3.19Å; I294-K298 WeakPolarHBondContact O-CG 3.41Å; I294-K298 PolarHBondContact O-N 3.35Å; K298-H300 PolarHBondContact O-N 3.5Å; K298-I301 PolarHBondContact O-N 2.77Å; K298-K302 PolarHBondContact O-N 2.75Å; K298-E319 VanDerWaalsContact CD-OE1 3.22Å; K298-E319 WeakPolarHBondContact CD-OE1 3.43Å; K298-E319 WeakPolarHBondContact CE-OE1 3.23Å; K298-E319 HydrophobicContact CG-CG 4.29Å; K298-E319 IonicContact NZ-OE1 2.62Å; K298-E319 PolarHBondContact NZ-OE1 3.05Å; K298-D320 WeakPolarHBondContact CE-OD1 3.44Å; K298-D320 IonicContact NZ-OD1 2.92Å; K298-D320 PolarHBondContact NZ-OD1 3.46Å; K298-D320 IonicContact NZ-OD2 2.95Å; K298-D320 PolarHBondContact NZ-OD2 3.14Å; K298-Y323 HydrophobicContact CG-CE1 3.99Å
299R94.4Very high89.3Confident173 Ų17365.3 Ų65.365%0.65335%0.345SS*.Hα-helixtrans-61.1-45.1176.6-178.9-174.5-63.6144.31111.6V295 G296 I297 A303V295-R299 WeakPolarHBondContact O-CB 3.33Å; V295-R299 PolarHBondContact O-N 2.66Å; G296-R299 PolarHBondContact O-N 3.42Å; I297-R299 PolarHBondContact O-N 2.78Å; R299-A303 WeakPolarHBondContact O-CB 3.34Å; R299-A303 PolarHBondContact O-N 2.85Å
300H94.6Very high87.4Confident18 Ų1867.6 Ų67.68%0.08337%0.367CS..Hα-helixtrans-59.7-47.6177.3158.130.2000111.3C287 L291 G296 I297 K298 A303 L304 H305C287-H300 PolarHBondContact SG-CE1 3.01Å; C287-H300 PolarHBondContact SG-NE2 3.41Å; L291-H300 HydrophobicContact CD1-CB 4.16Å; G296-H300 WeakPolarHBondContact O-CB 3.15Å; G296-H300 PolarHBondContact O-N 3.13Å; I297-H300 WeakPolarHBondContact O-CB 3.14Å; I297-H300 PolarHBondContact O-N 2.8Å; K298-H300 PolarHBondContact O-N 3.5Å; H300-A303 PolarHBondContact O-N 2.82Å; H300-L304 WeakPolarHBondContact O-CB 3.41Å; H300-L304 PolarHBondContact O-N 3.27Å; H300-H305 AromaticContact CE1-CD2 3.78Å
301I93.7Very high85.4Confident0 Ų068.9 Ų68.90%037%0.372CS..Hα-helixtrans-61.4-50.5179.6-75.3160.9000110.5I297 K298 A303 H305 L306 E319 Y322 Y323I297-I301 HydrophobicContact CG1-CD1 4.03Å; I297-I301 WeakPolarHBondContact O-CB 3.48Å; I297-I301 WeakPolarHBondContact O-CD1 3.44Å; I297-I301 WeakPolarHBondContact O-CG1 3.22Å; I297-I301 PolarHBondContact O-N 3.09Å; K298-I301 PolarHBondContact O-N 2.77Å; I301-A303 PolarHBondContact O-N 2.85Å; I301-H305 WeakPolarHBondContact O-CA 3.45Å; I301-H305 VanDerWaalsContact O-CB 3.28Å; I301-H305 WeakPolarHBondContact O-CB 3.47Å; I301-H305 PolarHBondContact O-N 2.87Å; I301-L306 HydrophobicContact CG2-CD1 3.45Å; I301-L306 VanDerWaalsContact CG2-CD1 3.45Å; I301-L306 PolarHBondContact O-N 2.64Å; I301-E319 HydrophobicContact CG2-CB 4.26Å; I301-Y322 WeakPolarHBondContact CD1-O 3.34Å; I301-Y322 HydrophobicContact CG2-CD2 4.29Å; I301-Y323 HydrophobicContact CD1-CD1 4.05Å; I301-Y323 HydrophobicContact CD1-CG 4.49Å
302K91Very high83.7Confident57 Ų5768.3 Ų68.325%0.24837%0.373CS..Iπ-helixtrans-60.9-46.6176-173.7173.6178-1700112.1K298 G307 D308 S312K298-K302 PolarHBondContact O-N 2.75Å; K302-G307 PolarHBondContact O-N 2.97Å; K302-D308 WeakPolarHBondContact CE-OD1 3.48Å; K302-D308 IonicContact NZ-OD1 2.68Å; K302-D308 PolarHBondContact NZ-OD1 3.07Å; K302-S312 PolarHBondContact NZ-OG 2.94Å
303A91.1Very high82.1Confident69 Ų6967.7 Ų67.757%0.5738%0.381SS*.Iπ-helixtrans-74-30.6-171.600000115R299 H300 I301R299-A303 WeakPolarHBondContact O-CB 3.34Å; R299-A303 PolarHBondContact O-N 2.85Å; H300-A303 PolarHBondContact O-N 2.82Å; I301-A303 PolarHBondContact O-N 2.85Å
304L91.7Very high80.4Confident97 Ų9771.6 Ų71.651%0.50839%0.392SS..Iπ-helixtrans-112.1-9.3-174.9-57.8-171.2000114.6K289 H300K289-L304 VanDerWaalsContact NZ-CD1 3.33Å; H300-L304 WeakPolarHBondContact O-CB 3.41Å; H300-L304 PolarHBondContact O-N 3.27Å
305H91.1Very high78.8Confident63 Ų6371.4 Ų71.429%0.29239%0.39SS..Iπ-helixtrans-130.8-47.6-170.2-62-34.6000114.7W284 C287 H300 I301W284-H305 VanDerWaalsContact CB-CD2 3.49Å; W284-H305 WeakPolarHBondContact CB-CD2 3.07Å; W284-H305 AromaticContact CD1-CE1 3.81Å; W284-H305 AromaticContact CD1-CG 3.77Å; W284-H305 AromaticContact CD1-ND1 3.53Å; W284-H305 HydrophobicContact CD2-CB 3.47Å; W284-H305 VanDerWaalsContact CD2-CB 3.47Å; W284-H305 AromaticContact CD2-CD2 3.81Å; W284-H305 AromaticContact CD2-CG 3.51Å; W284-H305 AromaticContact CE2-CG 3.82Å; W284-H305 HydrophobicContact CE3-CB 3.57Å; W284-H305 AromaticContact CE3-CG 3.98Å; W284-H305 HydrophobicContact CG-CB 4.05Å; W284-H305 AromaticContact CG-CD2 3.5Å; W284-H305 VanDerWaalsContact CG-CD2 3.5Å; W284-H305 AromaticContact CG-CG 3.51Å; W284-H305 AromaticContact CG-ND1 3.74Å; W284-H305 HydrophobicContact CH2-CB 3.87Å; W284-H305 HydrophobicContact CZ2-CB 3.78Å; W284-H305 HydrophobicContact CZ3-CB 3.76Å; W284-H305 AromaticContact NE1-CE1 3.74Å; W284-H305 AromaticContact NE1-CG 3.95Å; W284-H305 AromaticContact NE1-ND1 3.75Å; C287-H305 WeakPolarHBondContact CB-NE2 3.31Å; H300-H305 AromaticContact CE1-CD2 3.78Å; I301-H305 WeakPolarHBondContact O-CA 3.45Å; I301-H305 VanDerWaalsContact O-CB 3.28Å; I301-H305 WeakPolarHBondContact O-CB 3.47Å; I301-H305 PolarHBondContact O-N 2.87Å
306L86.4Confident77.3Confident27 Ų2772.6 Ų72.614%0.14139%0.387CS..Iπ-helixtrans-88-22.1176.6-72.377.1000112.8W284 I301 F315 E318 Y322W284-L306 HydrophobicContact CE3-CD1 4.47Å; W284-L306 HydrophobicContact CH2-CD1 4.1Å; W284-L306 HydrophobicContact CH2-CG 4.49Å; W284-L306 HydrophobicContact CZ3-CD1 3.63Å; W284-L306 HydrophobicContact CZ3-CG 4.41Å; I301-L306 HydrophobicContact CG2-CD1 3.45Å; I301-L306 VanDerWaalsContact CG2-CD1 3.45Å; I301-L306 PolarHBondContact O-N 2.64Å; L306-F315 HydrophobicContact CD2-CB 3.95Å; L306-F315 HydrophobicContact CD2-CD1 3.94Å; L306-F315 HydrophobicContact CD2-CG 4.23Å; L306-E318 HydrophobicContact CD2-CB 4.36Å; L306-Y322 HydrophobicContact CD1-CD2 4.12Å; L306-Y322 HydrophobicContact CD1-CE2 4.27Å
307G73.4Confident76.1Confident30 Ų3081 Ų8131%0.30941%0.413SS..  trans74173.1-173.100000112.9K302 T309K302-G307 PolarHBondContact O-N 2.97Å; G307-T309 VanDerWaalsContact C-N 3.27Å; G307-T309 PolarHBondContact O-N 3.28Å
308D65.4Low75.4Confident141 Ų14184 Ų8475%0.75443%0.427SS*.SBendtrans-90.963.5175.7-154.630.3000110.9K302K302-D308 WeakPolarHBondContact CE-OD1 3.48Å; K302-D308 IonicContact NZ-OD1 2.68Å; K302-D308 PolarHBondContact NZ-OD1 3.07Å
309T58Low75Confident60 Ų6083.3 Ų83.337%0.36842%0.424SS..  trans-73.6149174.4540000111.1G307 D311 S312 F315G307-T309 VanDerWaalsContact C-N 3.27Å; G307-T309 PolarHBondContact O-N 3.28Å; T309-D311 VanDerWaalsContact C-N 3.28Å; T309-D311 PolarHBondContact O-N 2.92Å; T309-S312 PolarHBondContact O-OG 2.96Å; T309-F315 VanDerWaalsContact OG1-CD2 3.31Å; T309-F315 WeakPolarHBondContact OG1-CD2 3.49Å; T309-F315 WeakPolarHBondContact OG1-CE2 3.36Å
310V55.3Low74.8Confident151 Ų15178.1 Ų78.192%0.91541%0.41SS*.SBendtrans-64.9-25.2-168.1169.10000113.6S312V310-S312 PolarHBondContact O-N 3.16Å
311D54.1Low74.7Confident87 Ų8784.3 Ų84.347%0.46544%0.437SS..  trans-84.657.5-178.3-149-51.4000113.4T309 D313 Q314 F315T309-D311 VanDerWaalsContact C-N 3.28Å; T309-D311 PolarHBondContact O-N 2.92Å; D311-D313 PolarHBondContact O-N 3.22Å; D311-Q314 PolarHBondContact O-N 2.76Å; D311-Q314 WeakPolarHBondContact OD1-CB 3.48Å; D311-Q314 PolarHBondContact OD1-N 2.67Å; D311-F315 HydrophobicContact CB-CD2 4.38Å; D311-F315 HydrophobicContact CB-CE2 4.09Å; D311-F315 VanDerWaalsContact O-CD2 3.25Å; D311-F315 WeakPolarHBondContact O-CD2 3.2Å
312S59.4Low74.6Confident53 Ų5387.5 Ų87.537%0.37145%0.449SS..THydrogen-bonded Turntrans-69.33.4-171.7-81.10000116.4K302 T309 V310K302-S312 PolarHBondContact NZ-OG 2.94Å; T309-S312 PolarHBondContact O-OG 2.96Å; V310-S312 PolarHBondContact O-N 3.16Å
313D60.5Low74.8Confident129 Ų12986.3 Ų86.369%0.6944%0.443SS*.THydrogen-bonded Turntrans-106.4-22.1172.2-112.76000112.5D311D311-D313 PolarHBondContact O-N 3.22Å
314Q58.5Low75Confident136 Ų13686.3 Ų86.364%0.63644%0.437SS*.THydrogen-bonded Turntrans-76.6-53172.6-173.6164.4105.900111.6D311 K316 R317D311-Q314 PolarHBondContact O-N 2.76Å; D311-Q314 WeakPolarHBondContact OD1-CB 3.48Å; D311-Q314 PolarHBondContact OD1-N 2.67Å; Q314-K316 PolarHBondContact O-N 2.77Å; Q314-R317 PolarHBondContact O-N 3.06Å
315F58.2Low75.2Confident57 Ų5786.9 Ų86.925%0.2544%0.437CS..Hα-helixtrans-62.9-16.2179.9-65-63.2000114.2L306 T309 D311 R317 E318 E319L306-F315 HydrophobicContact CD2-CB 3.95Å; L306-F315 HydrophobicContact CD2-CD1 3.94Å; L306-F315 HydrophobicContact CD2-CG 4.23Å; T309-F315 VanDerWaalsContact OG1-CD2 3.31Å; T309-F315 WeakPolarHBondContact OG1-CD2 3.49Å; T309-F315 WeakPolarHBondContact OG1-CE2 3.36Å; D311-F315 HydrophobicContact CB-CD2 4.38Å; D311-F315 HydrophobicContact CB-CE2 4.09Å; D311-F315 VanDerWaalsContact O-CD2 3.25Å; D311-F315 WeakPolarHBondContact O-CD2 3.2Å; F315-R317 PolarHBondContact O-N 3Å; F315-E318 WeakPolarHBondContact CD1-OE2 3.44Å; F315-E318 WeakPolarHBondContact O-CA 3.37Å; F315-E318 WeakPolarHBondContact O-CB 3.05Å; F315-E318 PolarHBondContact O-N 3.27Å; F315-E319 PolarHBondContact O-N 2.8Å
316K62.3Low75.2Confident117 Ų11788.3 Ų88.351%0.50945%0.445SS..Hα-helixtrans-71.4-10.4-178.5-158.8174.5-174.5172.20114.8Q314 E319Q314-K316 PolarHBondContact O-N 2.77Å; K316-E319 WeakPolarHBondContact O-CG 3.48Å
317R70.3Confident75.2Confident194 Ų19494.1 Ų94.173%0.73247%0.471SS*.Hα-helixtrans-95.4-28163.8-174.2-177.2-68.8164.2-0.2111.6Q314 F315 D320 F321Q314-R317 PolarHBondContact O-N 3.06Å; F315-R317 PolarHBondContact O-N 3Å; R317-D320 PolarHBondContact O-N 3.31Å; R317-F321 HydrophobicContact CG-CE2 4.32Å; R317-F321 WeakPolarHBondContact O-CD2 3.2Å; R317-F321 WeakPolarHBondContact O-CE2 3.48Å
318E80.9Confident75.1Confident65 Ų6598.1 Ų98.130%0.30448%0.483SS..Hα-helixtrans-71.5-35.4-177.7-144.4-175.611100112L306 F315 D320 F321 Y322L306-E318 HydrophobicContact CD2-CB 4.36Å; F315-E318 WeakPolarHBondContact CD1-OE2 3.44Å; F315-E318 WeakPolarHBondContact O-CA 3.37Å; F315-E318 WeakPolarHBondContact O-CB 3.05Å; F315-E318 PolarHBondContact O-N 3.27Å; E318-D320 PolarHBondContact O-N 3.48Å; E318-F321 PolarHBondContact O-N 2.87Å; E318-Y322 HydrophobicContact CG-CE2 3.92Å; E318-Y322 VanDerWaalsContact O-CD2 3.23Å; E318-Y322 WeakPolarHBondContact O-CD2 3.19Å; E318-Y322 PolarHBondContact OE1-OH 3.23Å
319E85.1Confident74.7Confident25 Ų2598.6 Ų98.612%0.11748%0.478CS..THydrogen-bonded Turntrans-53.7-21.1173.861.6-179.7-138.700114.4K298 I301 F315 K316 Y323K298-E319 VanDerWaalsContact CD-OE1 3.22Å; K298-E319 WeakPolarHBondContact CD-OE1 3.43Å; K298-E319 WeakPolarHBondContact CE-OE1 3.23Å; K298-E319 HydrophobicContact CG-CG 4.29Å; K298-E319 IonicContact NZ-OE1 2.62Å; K298-E319 PolarHBondContact NZ-OE1 3.05Å; I301-E319 HydrophobicContact CG2-CB 4.26Å; F315-E319 PolarHBondContact O-N 2.8Å; K316-E319 WeakPolarHBondContact O-CG 3.48Å; E319-Y323 WeakPolarHBondContact O-CD1 3.37Å
320D90.4Very high74.5Confident65 Ų65102.3 Ų102.335%0.34849%0.492SS..THydrogen-bonded Turntrans-84.4-16.4177.3-71.6-38.4000114.4K298 R317 E318 Y323K298-D320 WeakPolarHBondContact CE-OD1 3.44Å; K298-D320 IonicContact NZ-OD1 2.92Å; K298-D320 PolarHBondContact NZ-OD1 3.46Å; K298-D320 IonicContact NZ-OD2 2.95Å; K298-D320 PolarHBondContact NZ-OD2 3.14Å; R317-D320 PolarHBondContact O-N 3.31Å; E318-D320 PolarHBondContact O-N 3.48Å; D320-Y323 HydrophobicContact CB-CE1 4.48Å; D320-Y323 WeakPolarHBondContact OD1-CE1 3.48Å; D320-Y323 PolarHBondContact OD1-OH 3.12Å; D320-Y323 VanDerWaalsContact OD1-OH 3.13Å
321F92.4Very high73.7Confident148 Ų148101.7 Ų101.765%0.64948%0.479SS*.THydrogen-bonded Turntrans-80.7-20.6175.2-69.4-100.4000112.4R317 E318R317-F321 HydrophobicContact CG-CE2 4.32Å; R317-F321 WeakPolarHBondContact O-CD2 3.2Å; R317-F321 WeakPolarHBondContact O-CE2 3.48Å; E318-F321 PolarHBondContact O-N 2.87Å
322Y92.2Very high73.1Confident67 Ų67101.2 Ų101.226%0.26348%0.482SS..THydrogen-bonded Turntrans-96.314-173.3-61.1-66.2000114.3C282 L283 W284 I301 L306 E318C282-Y322 WeakPolarHBondContact CA-O 3.34Å; L283-Y322 PolarHBondContact N-O 3.34Å; W284-Y322 AromaticContact CE3-CD1 3.48Å; W284-Y322 HydrophobicContact CE3-CD1 3.48Å; W284-Y322 VanDerWaalsContact CE3-CD1 3.48Å; W284-Y322 HydrophobicContact CE3-CD2 4.13Å; W284-Y322 AromaticContact CE3-CE1 3.79Å; W284-Y322 HydrophobicContact CE3-CE1 3.79Å; W284-Y322 HydrophobicContact CE3-CE2 4.39Å; W284-Y322 AromaticContact CE3-CG 3.67Å; W284-Y322 HydrophobicContact CE3-CG 3.67Å; W284-Y322 HydrophobicContact CH2-CE1 4.47Å; W284-Y322 AromaticContact CZ3-CD1 3.68Å; W284-Y322 HydrophobicContact CZ3-CD1 3.68Å; W284-Y322 AromaticContact CZ3-CD2 3.76Å; W284-Y322 HydrophobicContact CZ3-CD2 3.76Å; W284-Y322 AromaticContact CZ3-CE1 3.58Å; W284-Y322 HydrophobicContact CZ3-CE1 3.58Å; W284-Y322 AromaticContact CZ3-CE2 3.65Å; W284-Y322 HydrophobicContact CZ3-CE2 3.65Å; W284-Y322 AromaticContact CZ3-CG 3.77Å; W284-Y322 HydrophobicContact CZ3-CG 3.77Å; W284-Y322 AromaticContact CZ3-CZ 3.56Å; I301-Y322 WeakPolarHBondContact CD1-O 3.34Å; I301-Y322 HydrophobicContact CG2-CD2 4.29Å; L306-Y322 HydrophobicContact CD1-CD2 4.12Å; L306-Y322 HydrophobicContact CD1-CE2 4.27Å; E318-Y322 HydrophobicContact CG-CE2 3.92Å; E318-Y322 VanDerWaalsContact O-CD2 3.23Å; E318-Y322 WeakPolarHBondContact O-CD2 3.19Å; E318-Y322 PolarHBondContact OE1-OH 3.23Å
323Y94.9Very high72.5Confident31 Ų31103.7 Ų103.712%0.12251%0.506CS..EExtended strand (participates in β ladder)trans-137.4166.3167.872.7-99.4000113.7Y280 K281 I294 I297 K298 I301 E319 D320 E325Y280-Y323 AromaticContact CD1-CD2 3.99Å; Y280-Y323 HydrophobicContact CD1-CD2 3.99Å; Y280-Y323 AromaticContact CD1-CE2 3.86Å; Y280-Y323 HydrophobicContact CD1-CE2 3.86Å; Y280-Y323 HydrophobicContact CE1-CE2 4.43Å; K281-Y323 CarbonylContact O-C 3.57Å; K281-Y323 WeakPolarHBondContact O-CA 3.46Å; K281-Y323 WeakPolarHBondContact O-CB 3.03Å; I294-Y323 WeakPolarHBondContact CG2-OH 3.45Å; I297-Y323 HydrophobicContact CG1-CG 4.43Å; I297-Y323 HydrophobicContact CG2-CD1 3.48Å; I297-Y323 VanDerWaalsContact CG2-CD1 3.48Å; I297-Y323 HydrophobicContact CG2-CD2 4.02Å; I297-Y323 HydrophobicContact CG2-CE1 3.86Å; I297-Y323 HydrophobicContact CG2-CE2 4.39Å; I297-Y323 HydrophobicContact CG2-CG 3.56Å; K298-Y323 HydrophobicContact CG-CE1 3.99Å; I301-Y323 HydrophobicContact CD1-CD1 4.05Å; I301-Y323 HydrophobicContact CD1-CG 4.49Å; E319-Y323 WeakPolarHBondContact O-CD1 3.37Å; D320-Y323 HydrophobicContact CB-CE1 4.48Å; D320-Y323 WeakPolarHBondContact OD1-CE1 3.48Å; D320-Y323 PolarHBondContact OD1-OH 3.12Å; D320-Y323 VanDerWaalsContact OD1-OH 3.13Å; Y323-E325 HydrophobicContact CE2-CG 4.3Å
324T95.1Very high71.7Confident70 Ų70102.7 Ų102.743%0.42951%0.505SS..EExtended strand (participates in β ladder)trans-137.3143.4170.5-64.50000110.9Y280 K281 L283 M326Y280-T324 WeakPolarHBondContact CA-O 3.33Å; K281-T324 PolarHBondContact N-O 3.06Å; K281-T324 PolarHBondContact O-N 2.87Å; L283-T324 WeakPolarHBondContact CD1-OG1 3.37Å; T324-M326 PolarHBondContact O-N 3.33Å
325E95.3Very high71Confident108 Ų108100.8 Ų100.851%0.50551%0.512SS..EExtended strand (participates in β ladder)trans-82107.2176.6-43-156169.100110.1V278 Y280 Y323V278-E325 HydrophobicContact CG1-CB 4.25Å; Y280-E325 HydrophobicContact CD1-CB 4.34Å; Y280-E325 HydrophobicContact CD1-CG 3.88Å; Y280-E325 HydrophobicContact CE1-CB 4.12Å; Y280-E325 VanDerWaalsContact CE1-CD 3.44Å; Y280-E325 HydrophobicContact CE1-CG 3.6Å; Y323-E325 HydrophobicContact CE2-CG 4.3Å
326M90.4Very high70.3Confident94 Ų94103 Ų10346%0.46354%0.541SS..EExtended strand (participates in β ladder)trans-89.6113.6171.8-70.617556.700109.4M279 K281 T324 M328M279-M326 PolarHBondContact N-O 3.02Å; M279-M326 PolarHBondContact O-N 3.4Å; K281-M326 HydrophobicContact CB-CG 4.39Å; K281-M326 HydrophobicContact CB-SD 3.63Å; K281-M326 HydrophobicContact CD-SD 3.79Å; K281-M326 HydrophobicContact CG-SD 4.31Å; T324-M326 PolarHBondContact O-N 3.33Å; M326-M328 PolarHBondContact O-N 2.91Å
327Q87.9Confident69.2Low149 Ų149102.1 Ų102.170%0.69656%0.555SS**EExtended strand (participates in β ladder)trans-75.3119.8165.1-68.2-172.679.400109K329Q327-K329 VanDerWaalsContact C-N 3.28Å; Q327-K329 PolarHBondContact O-N 2.77Å
328M71.2Confident67.7Low113 Ų11397.3 Ų97.356%0.55756%0.557SS**  trans-74.885.8173.9-159.4167.2-169.800107.8K277 M279 M326 E330K277-M328 WeakPolarHBondContact O-CB 3.13Å; K277-M328 PolarHBondContact O-N 2.93Å; M279-M328 HydrophobicContact CE-CE 4.29Å; M279-M328 HydrophobicContact CE-SD 3.63Å; M326-M328 PolarHBondContact O-N 2.91Å; M328-E330 PolarHBondContact O-N 3.11Å
329K56.7Low65.7Low151 Ų15198.9 Ų98.966%0.65758%0.581SS**  trans-60.6104169.3-173.7-164.6179.7-158.90107.2Q327 E331Q327-K329 VanDerWaalsContact C-N 3.28Å; Q327-K329 PolarHBondContact O-N 2.77Å; K329-E331 WeakPolarHBondContact CE-OE2 3.47Å; K329-E331 IonicContact NZ-OE1 2.78Å; K329-E331 PolarHBondContact NZ-OE1 3.22Å; K329-E331 IonicContact NZ-OE2 2.66Å; K329-E331 PolarHBondContact NZ-OE2 3.02Å; K329-E331 PolarHBondContact O-N 3.17Å
330E52.6Low63.5Low139 Ų139104.9 Ų104.965%0.6562%0.619SS**  trans-74.179.9171.6-167.2173.4149.700107.7K277 M328 S332K277-E330 WeakPolarHBondContact CE-OE2 3.05Å; K277-E330 IonicContact NZ-OE2 2.57Å; K277-E330 PolarHBondContact NZ-OE2 2.8Å; M328-E330 PolarHBondContact O-N 3.11Å; E330-S332 PolarHBondContact O-N 3.45Å; E330-S332 VanDerWaalsContact O-N 3.14Å
331E40Very low60.6Low137 Ų137105.2 Ų105.264%0.6464%0.638SS**  trans-63.4106169.2-164.589.594.100107.1K329 A333K329-E331 WeakPolarHBondContact CE-OE2 3.47Å; K329-E331 IonicContact NZ-OE1 2.78Å; K329-E331 PolarHBondContact NZ-OE1 3.22Å; K329-E331 IonicContact NZ-OE2 2.66Å; K329-E331 PolarHBondContact NZ-OE2 3.02Å; K329-E331 PolarHBondContact O-N 3.17Å; E331-A333 PolarHBondContact O-N 3.28Å
332S39.8Very low57.8Low77 Ų77104.1 Ų104.154%0.53864%0.643SS.*  trans-65.1120.5-173.6-163.20000110E330 T334E330-S332 PolarHBondContact O-N 3.45Å; E330-S332 VanDerWaalsContact O-N 3.14Å; S332-T334 WeakPolarHBondContact CB-OG1 3.24Å; S332-T334 PolarHBondContact O-N 3.42Å; S332-T334 PolarHBondContact OG-OG1 3.18Å
333A46.9Very low55Low106 Ų106108.4 Ų108.488%0.87667%0.67SS**THydrogen-bonded Turntrans-73.638.5178.300000112.7E331E331-A333 PolarHBondContact O-N 3.28Å
334T45.2Very low52.2Low108 Ų108113 Ų11366%0.66370%0.701SS**THydrogen-bonded Turntrans-130.720.1-171.860.60000112.1S332S332-T334 WeakPolarHBondContact CB-OG1 3.24Å; S332-T334 PolarHBondContact O-N 3.42Å; S332-T334 PolarHBondContact OG-OG1 3.18Å
335A43.1Very low49.9Very low95 Ų95115.6 Ų115.679%0.78572%0.719SS**SBendtrans-113.23.4176.300000113.7
336A43.9Very low46.7Very low103 Ų103113.6 Ų113.685%0.85173%0.727SS**SBendtrans-105.10.7-179.600000114.2
337A39.9Very low43.8Very low99 Ų99116 Ų11682%0.81875%0.748SS**SBendtrans-113.86.8-174.300000114.1
338A37.3Very low41.8Very low94 Ų94114.5 Ų114.578%0.77775%0.751SS**SBendtrans-115.936.2-173.100000113
339A38.9Very low39.7Very low97 Ų97115.3 Ų115.380%0.80276%0.762SS**SBendtrans-144.532.2-176.900000113.8
340V40.4Very low38.4Very low152 Ų152114.5 Ų114.592%0.92177%0.77SS**  trans-136118.6171.5179.50000108.7
341G29.3Very low37.5Very low71 Ų71115.3 Ų115.373%0.73277%0.774SS**  trans166.764.7179.400000117.4
342T32.7Very low37.6Very low125 Ų125114 Ų11477%0.76778%0.777SS**  trans-171.196.6154.7-71.40000105.7
343L34.2Very low37.2Very low157 Ų157115.5 Ų115.582%0.82278%0.783SS**  61.4129.4101.1-59.7164000112.8
344V35.9Very low37Very low129 Ų129116.1 Ų116.178%0.78278%0.779SS**  cis-154.316616.4107.50000110.6
345P45.4Very low36.5Very low123 Ų123117 Ų11780%0.79978%0.784SS**  trans-103.1166-164.539.3-35.1000116.8
346G28.4Very low36.6Very low66 Ų66117.6 Ų117.668%0.6878%0.78SS**  trans-175.684.1172.600000119.5
347T31Very low35.9Very low146 Ų146117.5 Ų117.590%0.89677%0.773SS**  trans62.6154.9152.7450000122.4
348P44.8Very low35.6Very low116 Ų116120.8 Ų120.875%0.75377%0.773SS**  trans-112.5166.2-171.941.9-33.8000115.5
349T26.7Very low35.6Very low131 Ų131123.1 Ų123.180%0.80478%0.778SS**  trans-171123152.9-80.60000113
350T29.9Very low35Very low134 Ų134121.8 Ų121.882%0.82277%0.774SS**  trans66.1141.2151.3-520000124.2
351E33.1Very low34.7Very low156 Ų156122.8 Ų122.873%0.72977%0.771SS**  trans-45.6175.4169.5-93.6-164.48400120T353E351-T353 PolarHBondContact OE1-OG1 3.38Å
352P43.8Very low35.1Very low109 Ų109125.2 Ų125.271%0.70877%0.773SS**  cis-134.7154.714.729.7-7.1000120
353T31.2Very low35Very low108 Ų108127.4 Ų127.466%0.66378%0.779SS**  11.5131.1129.7-50.30000118.2E351E351-T353 PolarHBondContact OE1-OG1 3.38Å
354P41.7Very low34.9Very low120 Ų120125.5 Ų125.578%0.77978%0.779SS**  -144.2165.753.540.3-21000120.5
355T35.6Very low34.5Very low125 Ų125123.6 Ų123.677%0.76778%0.777SS**  trans-69.9167.4166.338.80000113.9
356P43.9Very low34Very low108 Ų108125.3 Ų125.370%0.70178%0.779SS**  cis-144.317036.842.1-21.8000120.2
357S30.3Very low34.3Very low102 Ų102128.1 Ų128.171%0.71379%0.785SS**  trans-87.6157.5169.4-176.80000111.8
358M34.1Very low34.7Very low167 Ų167126.4 Ų126.482%0.82378%0.776SS**  trans-135114174.4-77.6-67.514900111.9
359T35.3Very low34.9Very low144 Ų144126 Ų12688%0.88377%0.773SS**  trans-142.2128.2165-510000108.2
360G27.8Very low35Very low68 Ų68126.8 Ų126.870%0.70177%0.772SS**  trans-164.1159.6177.100000111.1
361M34.2Very low35.2Very low174 Ų174127.6 Ų127.686%0.85777%0.766SS**  cis-145.1169.21-68.6-170.670.700110.7
362P37.2Very low35.1Very low121 Ų121129.8 Ų129.879%0.78677%0.773SS**  trans-119.6-173.6136.237.1-31.6000112.9
363L31.2Very low34.4Very low172 Ų172128.2 Ų128.290%0.90177%0.769SS**  trans-79.9168.2-157.1-68.8162.2000116.8
364S31.6Very low34.3Very low117 Ų117132.3 Ų132.382%0.81878%0.781SS**  trans-53.6153.6-179.2-39.10000116.9
365A27.7Very low33.6Very low89 Ų89131.9 Ų131.974%0.73678%0.781SS**  177.3154.4104.800000115
366L34.2Very low33.3Very low159 Ų159131.7 Ų131.783%0.83279%0.785SS**  trans68.9141.4165.6-53.8-178.1000119
367P34.5Very low32.5Very low125 Ų125129.8 Ų129.881%0.81279%0.785SS**  -140.4156.9103.540-29.6000115.5
368P41Very low33.3Very low109 Ų109130.8 Ų130.871%0.70879%0.789SS**  trans-127.3-167.5164.945.7-33.8000111.2
369P48.7Very low32.9Very low107 Ų107131.5 Ų131.570%0.69579%0.79SS**  cis-132.1-163.9-14.332.8-10.2000113.9
370L29.1Very low32.8Very low148 Ų148132.8 Ų132.878%0.77579%0.786SS**  trans78.9140.5157.6-65.8165000117.6
371H34.1Very low33.5Very low152 Ų152135.6 Ų135.670%0.70479%0.792SS**  cis-166.3140.75.740.6-81.7000114.7
372K30.2Very low33.1Very low201 Ų201130.4 Ų130.487%0.87478%0.783SS**  trans56159146.2-66.6179.8-179.4178.70120.2
373A28.2Very low32.8Very low76 Ų76133.2 Ų133.263%0.62879%0.786SS**  cis-171.2165.4-27.800000109.7
374Q30.1Very low32.6Very low194 Ų194133.6 Ų133.691%0.90778%0.783SS**  trans65.4170.2166-66.4169.5-29.700117.9
375S26.9Very low32.6Very low111 Ų111133.6 Ų133.678%0.77678%0.783SS**  174.3100.8-52.2174.70000110.2
376S29.5Very low32.8Very low121 Ų121135.2 Ų135.285%0.84679%0.789SS**  trans-177.8140.4160.952.10000112
377G27.2Very low32.9Very low68 Ų68135.6 Ų135.670%0.70179%0.791SS**  trans-101.7-154.2152.600000109.6
378P46.9Very low33.4Very low124 Ų124134.6 Ų134.681%0.80578%0.784SS**  cis-120.5-171.9-7.242-28.3000112
379E25.5Very low33Very low182 Ų182135.3 Ų135.385%0.8579%0.792SS**  trans-179.7141133.7-94.6-77.162.500110.3
380H32.8Very low32Very low170 Ų170134 Ų13479%0.78780%0.798SS**  trans-121.2-175.5165-111-67.3000105.7
381P42Very low32.2Very low127 Ų127131.4 Ų131.483%0.82580%0.797SS**  cis-130.1-171.210.541.9-24.1000114.1
382G26.3Very low32.3Very low66 Ų66132 Ų13268%0.6881%0.805SS**  trans173.981.3171.100000115.7
383Q31Very low32.6Very low180 Ų180128.2 Ų128.284%0.84180%0.804SS**  trans40102.6155.4-67.6169.7-15.600118.3
384E27Very low33.4Very low180 Ų180134.7 Ų134.784%0.84182%0.818SS**  71.5110.978.1-72.8-163.2108.800116.3
385S31Very low33.7Very low117 Ų117131.6 Ų131.682%0.81882%0.818SS**  -174.3141.5127.934.30000113.7
386S32.7Very low34.3Very low123 Ų123131 Ų13186%0.8682%0.819SS**  trans63.2110.7152-55.50000121.7
387L35.9Very low35.1Very low167 Ų167130.3 Ų130.387%0.87481%0.812SS**  trans-91.5-174.9163.8-70.8172.7000110.9
388P44.8Very low35.8Very low104 Ų104131.1 Ų131.168%0.67582%0.82SS**  cis-134.2-178.7-46.936.9-21.1000113.2
389S32Very low35.3Very low124 Ų124129.1 Ų129.187%0.86781%0.809SS**  trans59.5127.1152.4-61.10000120
390G29.3Very low36.1Very low79 Ų79128.2 Ų128.281%0.81480%0.803SS**  cis138152.5-3.600000112.6
391A32.1Very low36.7Very low93 Ų93130.5 Ų130.577%0.76980%0.804SS**  trans-162.7161.5167.400000112.7
392L36.8Very low36.9Very low165 Ų165131.9 Ų131.986%0.86480%0.8SS**  trans5787.1160.1-51.5-173.6000119.2
393S35.4Very low37.6Very low122 Ų122137 Ų13785%0.85381%0.81SS**  trans-163.585.3141.9-87.40000112.2
394K45.1Very low37.9Very low212 Ų212135.8 Ų135.892%0.92280%0.804SS**  trans-173.899.4157.4-110.9167.1-177.3178.60111.9
395S37.1Very low38.6Very low129 Ų129132.2 Ų132.290%0.90281%0.806SS**  trans-133.2135.3161-63.70000107.8
396A39.4Very low39.6Very low97 Ų97131.6 Ų131.680%0.80279%0.793SS**  trans-109.5-169.3-174.800000109.7
397P46.9Very low40.4Very low107 Ų107134.7 Ų134.770%0.69579%0.793SS**  cis-130.7162.3-8.739.3-23.4000114.8S399P397-S399 PolarHBondContact O-N 2.76Å
398G41.3Very low40.5Very low85 Ų85130.1 Ų130.188%0.87678%0.78SS**  trans-80.485.4165.500000111.7F400G398-F400 PolarHBondContact O-N 3.39Å
399S37Very low40.2Very low82 Ų82135.1 Ų135.157%0.57379%0.787SS**  trans-81.992.4-179.355.70000112.6P397 W401P397-S399 PolarHBondContact O-N 2.76Å; S399-W401 PolarHBondContact O-N 3.34Å
400F41.3Very low40.5Very low163 Ų163137.1 Ų137.172%0.71578%0.782SS**  trans-72114.8165.4173.8-103.6000110.3G398 H402G398-F400 PolarHBondContact O-N 3.39Å; F400-H402 AromaticContact CE1-CD2 3.76Å; F400-H402 AromaticContact CE1-CE1 3.7Å; F400-H402 AromaticContact CE1-NE2 3.41Å; F400-H402 WeakPolarHBondContact CE1-NE2 3.42Å; F400-H402 AromaticContact CZ-CD2 3.77Å; F400-H402 AromaticContact CZ-NE2 3.7Å
401W45.5Very low40.8Very low218 Ų218138.1 Ų138.183%0.82678%0.783SS**  trans-116126.1175.1-75106.8000110.7S399S399-W401 PolarHBondContact O-N 3.34Å
402H48Very low41.4Very low157 Ų157141.1 Ų141.173%0.72779%0.785SS**  trans-72.4133.2168-62.6117.1000110.5F400F400-H402 AromaticContact CE1-CD2 3.76Å; F400-H402 AromaticContact CE1-CE1 3.7Å; F400-H402 AromaticContact CE1-NE2 3.41Å; F400-H402 WeakPolarHBondContact CE1-NE2 3.42Å; F400-H402 AromaticContact CZ-CD2 3.77Å; F400-H402 AromaticContact CZ-NE2 3.7Å
403I39.2Very low41.7Very low173 Ų173138.6 Ų138.689%0.88778%0.778SS**  trans-129.5138.5148.4-64.3-174.6000107.9
404Q38.8Very low42Very low154 Ų154138.5 Ų138.572%0.7278%0.778SS**  trans-87.6132.7-166.9176.6178.8-5.400111.7D406Q404-D406 HydrophobicContact CG-CB 4.06Å; Q404-D406 PolarHBondContact NE2-OD2 3.07Å
405A40Very low41.4Very low106 Ų106137.6 Ų137.688%0.87677%0.774SS**  trans-112.384.8161.700000107.8
406D52.1Low41.6Very low103 Ų103140.6 Ų140.655%0.55177%0.774SS**  trans-76.7126176.9-153.4-59000109.6Q404Q404-D406 HydrophobicContact CG-CB 4.06Å; Q404-D406 PolarHBondContact NE2-OD2 3.07Å
407H49.5Very low41.3Very low188 Ų188143.2 Ų143.287%0.8777%0.773SS**  trans-172.4120.3147-84.9-20.1000110.4
408A38.2Very low41.1Very low71 Ų71144 Ų14459%0.58778%0.778SS**  trans-77.1167.4171.800000111.1
409Y40.1Very low41.1Very low210 Ų210146.7 Ų146.782%0.82478%0.777SS**  cis-139.5144.126.2-89.4-95.5000115.4
410Q38.1Very low41Very low165 Ų165147.8 Ų147.877%0.77179%0.785SS**  trans3.1127.1148.3-62.4171.3-10.100119.2
411A34.8Very low41.5Very low100 Ų100144.4 Ų144.483%0.82678%0.779SS**PPolyproline II helixtrans-98.2141.7145.200000109.4
412L44Very low40.8Very low157 Ų157141.7 Ų141.782%0.82278%0.776SS**PPolyproline II helixtrans-89.8151.6176.3-75.5172.6000111.9
413P44Very low40.3Very low111 Ų111141.2 Ų141.272%0.72178%0.777SS**PPolyproline II helixtrans-80.2171.5-17533.6-36.9000113.9
414S41Very low40.1Very low121 Ų121142.8 Ų142.885%0.84677%0.773SS**PPolyproline II helixtrans-76.3151.3-174.246.20000114.9
415F32.6Very low39.8Very low193 Ų193140.7 Ų140.785%0.84677%0.771SS**  trans-128.3145.6164.347.1-92.1000110
416Q42.5Very low39.5Very low191 Ų191141.3 Ų141.389%0.89377%0.769SS**  trans-97.2148.6-172.9-59.5-174.412.800112.6
417I32.8Very low38.9Very low153 Ų153142.3 Ų142.379%0.78578%0.778SS**  trans-136.2138.2159.5-63.6-174000107.1
418P41.7Very low38.2Very low122 Ų122138.4 Ų138.479%0.79277%0.772SS**  trans-90.5174.8-156.935.5-38.2000116.2
419V41.4Very low38Very low142 Ų142147.8 Ų147.886%0.86179%0.792SS**  trans-94.3157.3-177.81760000112
420S34.6Very low37.8Very low105 Ų105142.5 Ų142.573%0.73479%0.793SS**  trans110.8145.7150-157.60000115.9
421P53.7Low37.6Very low93 Ų93139.3 Ų139.360%0.60479%0.794SS**  cis-127.7177.1-38.434.3-19.5000112
422H30.6Very low37.6Very low161 Ų161139.2 Ų139.275%0.74579%0.794SS**  171.6135.4121.5-96.1-71.7000114.3
423I36Very low37.9Very low147 Ų147137 Ų13775%0.75479%0.789SS**  trans6192.5151-47.8158.3000119
424Y35.2Very low37.5Very low205 Ų205136.9 Ų136.980%0.80479%0.79SS**  49.9140.2118.9-138.2-121.5000123.2
425T33.7Very low37.1Very low111 Ų111137.8 Ų137.868%0.68179%0.791SS**  trans79.2116.9151.623.50000123.7
426S33.7Very low37.5Very low118 Ų118132.8 Ų132.883%0.82579%0.785SS**  103157.9125.8-146.80000119.6
427V38.9Very low36.9Very low124 Ų124129.5 Ų129.575%0.75278%0.782SS**  trans-130.3155.5-159.7170.10000109.8
428S35.7Very low36.9Very low106 Ų106127.1 Ų127.174%0.74178%0.779SS**  trans67.3121.7172.6-67.60000117
429W32.8Very low36.6Very low268 Ų268129.1 Ų129.1100%1.01578%0.782SS**  -167.6176.8117.153-42.9000113.1
430A35.7Very low36.2Very low100 Ų100127.2 Ų127.283%0.82678%0.775SS**  trans-78.8175.7-162.900000114.9
431A33.5Very low36.7Very low97 Ų97127.8 Ų127.880%0.80278%0.776SS**  trans-108.4148.9-178.700000113.6
432A35.1Very low35.7Very low99 Ų99128.9 Ų128.982%0.81878%0.781SS**  trans74154.217300000116.9
433P50.5Low35.9Very low111 Ų111132.2 Ų132.272%0.72179%0.787SS**  cis-134.8159.54.941-24.3000118.3
434S35Very low35.7Very low107 Ų107130.5 Ų130.575%0.74879%0.788SS**  trans76.9157.1140-67.90000124.3
435T34.3Very low35.7Very low141 Ų141132.1 Ų132.187%0.86579%0.793SS**  trans74.4134169.556.10000117.8
436A39.6Very low35.5Very low87 Ų87132.1 Ų132.172%0.71980%0.798SS**  cis114.8164.219.600000111.3
437C29.4Very low35.5Very low123 Ų123133.9 Ų133.983%0.83180%0.797SS**  cis-100-129.7-1.8-62.80000111.1
438S34Very low35.1Very low102 Ų102133.1 Ų133.171%0.71380%0.797SS**  cis-163.2174.1-1.5-139.30000107.7
439L35.1Very low35Very low164 Ų164135.7 Ų135.786%0.85980%0.795SS**  cis-140.2-164.411.3-106178.7000109.4
440S32.1Very low35Very low103 Ų103127.5 Ų127.572%0.7278%0.779SS**  trans-152.2168.7167.566.50000112.1
441P47.1Very low35.2Very low116 Ų116130.5 Ų130.575%0.75378%0.776SS**  -156.8139.3105.437.8-17.9000119.8
442V32.6Very low35.7Very low117 Ų117131 Ų13171%0.70977%0.771SS**  57125.7127.7-174.90000124.2
443R33.6Very low35.5Very low230 Ų230135.4 Ų135.487%0.86877%0.774SS**  trans68.4160.7159.2-86178.6161.799.1-6117.5
444S31.6Very low34.7Very low112 Ų112138 Ų13878%0.78378%0.777SS**  cis-147.1-169.713.1-145.10000114.5
445R34.8Very low35.2Very low238 Ų238137.9 Ų137.990%0.89877%0.773SS**  trans-98.4149.6-175.3-64.8172.5170.4157.2-6.8115.2
446S31.4Very low35Very low112 Ų112135.5 Ų135.578%0.78377%0.768SS**  trans166.4165.7141.7-81.90000111
447L32.5Very low35.2Very low155 Ų155136.6 Ų136.681%0.81277%0.768SS**  cis-179.7120.9-43.4-111.4175.3000108.4
448S31.4Very low35.3Very low107 Ų107136.4 Ų136.475%0.74876%0.763SS**  trans-173.8119.5155.8-166.90000107.3
449F33Very low35.4Very low160 Ų160139.7 Ų139.770%0.70277%0.769SS**  56.2124.269.4-91.9-100.5000113.3
450S33.5Very low35.3Very low96 Ų96142.1 Ų142.167%0.67177%0.773SS**  cis-144.9137.914.3-47.60000110.9
451E38.7Very low35.2Very low164 Ų164142.1 Ų142.177%0.76677%0.773SS**  81.7158.192.1-134.311472.700113.4
452P43.6Very low34.6Very low108 Ų108144.7 Ų144.770%0.70177%0.774SS**  -136.7177.1-120.436.6-12.8000117.2
453Q31.1Very low34.6Very low191 Ų191146.2 Ų146.289%0.89378%0.778SS**  trans-166.2163.9142.1-118173.3-109.600115.5
454Q33.8Very low34.8Very low165 Ų165142.2 Ų142.277%0.77177%0.772SS**  trans-144.3173.1177.6-82.2-84.5-15.900106.7
455P46.5Very low34.9Very low104 Ų104143.7 Ų143.768%0.67578%0.776SS**  cis-132.6164.6-18.836.2-19.7000115.1
456A29.9Very low34.8Very low92 Ų92138.9 Ų138.976%0.7677%0.773SS**  trans60.7-179.4151.800000118.8
457P43.2Very low35.1Very low109 Ų109138.3 Ų138.371%0.70877%0.769SS**  cis-128-164.9-19.323.61.1000113.8
458V31.3Very low35.5Very low119 Ų119137 Ų13772%0.72177%0.77SS**  trans69.3131152.6-79.10000124.3
459M35.8Very low35.9Very low171 Ų171137.6 Ų137.684%0.84277%0.771SS**  trans58.9123.8145.8-58.4-56.1141.300121.8
460K33.3Very low36.5Very low216 Ų216141.7 Ų141.794%0.93978%0.782SS**  trans-133.6131.9155-75.7-173.5176.1-179.50109.7
461S31.3Very low36.5Very low103 Ų103141.8 Ų141.872%0.7279%0.789SS**  trans-117.6121.4-17149.40000113.2
462H33.2Very low36.2Very low170 Ų170143 Ų14379%0.78779%0.794SS**  trans64.6161.3147.5-70.9-95.8000121.7
463L33.1Very low36.2Very low149 Ų149144.1 Ų144.178%0.7881%0.805SS**  trans68.793.6170.6-45.6-171.9000114.9
464I37.4Very low36.6Very low145 Ų145138.5 Ų138.574%0.74480%0.799SS**  64.485.565.7-51162.9000113
465V34.9Very low36.6Very low144 Ų144135.1 Ų135.187%0.87380%0.799SS**  -147.3120.5121.7176.20000107.2
466T32.4Very low36.5Very low137 Ų137142.2 Ų142.284%0.8481%0.812SS**  trans-126.1112.9171.715.90000110.3
467S37.8Very low37Very low100 Ų100147.5 Ų147.570%0.69982%0.818SS**PPolyproline II helixtrans-73.5155.3164.150.20000110.5P469S467-P469 VanDerWaalsContact O-CD 3.32Å; S467-P469 WeakPolarHBondContact O-CD 3.5Å
468P40.8Very low36.8Very low126 Ų126146.8 Ų146.882%0.81882%0.822SS**PPolyproline II helixtrans-77.5120.9-176-13.129.5000112
469P38.7Very low37.5Very low121 Ų121153.1 Ų153.179%0.78683%0.832SS**PPolyproline II helixtrans-74.5129.2171.629.9-33000110.7S467 A471S467-P469 VanDerWaalsContact O-CD 3.32Å; S467-P469 WeakPolarHBondContact O-CD 3.5Å; P469-A471 PolarHBondContact O-N 2.74Å
470R45.5Very low38.1Very low245 Ų245147.7 Ų147.793%0.92582%0.82SS**  trans-68.390.9178.1-173.5-179.6-173.9174.62.1110.8
471A33.3Very low38.8Very low99 Ų99145.8 Ų145.882%0.81882%0.815SS**  trans-62.8137.2-178.700000112.5P469P469-A471 PolarHBondContact O-N 2.74Å
472Q33.3Very low40.1Very low188 Ų188141.7 Ų141.788%0.87979%0.787SS**  trans-85.8141.8-172.2-63.3174.7-0.100112.6G474Q472-G474 PolarHBondContact O-N 2.99Å; Q472-G474 VanDerWaalsContact O-N 3.16Å
473S42.8Very low41.7Very low132 Ų132139 Ų13992%0.92377%0.773SS**SBendtrans-73.795.816951.10000110.5
474G41.3Very low44Very low74 Ų74136.8 Ų136.876%0.76376%0.757SS**  trans-158.215.8-167.600000119.2Q472Q472-G474 PolarHBondContact O-N 2.99Å; Q472-G474 VanDerWaalsContact O-N 3.16Å
475A33Very low46.2Very low94 Ų94129.9 Ų129.978%0.77772%0.722SS**  trans-137.2125.7175.900000112.5K477A475-K477 PolarHBondContact O-N 3.44Å; A475-K477 VanDerWaalsContact O-N 3.09Å
476R44.3Very low48.6Very low253 Ų253130.6 Ų130.696%0.95571%0.709SS**  trans-67.6107.6167.9-68.6-165.1-67.5-174.2-2.4107.8A478R476-A478 PolarHBondContact O-N 2.78Å; R476-A478 VanDerWaalsContact O-N 3.12Å
477K40.1Very low51.1Low202 Ų202132.8 Ų132.888%0.87871%0.707SS**  trans-48.5123.8170.4-90.2-167.3172.3-173.10108.8A475 R479A475-K477 PolarHBondContact O-N 3.44Å; A475-K477 VanDerWaalsContact O-N 3.09Å; K477-R479 PolarHBondContact O-N 2.83Å
478A39.6Very low53.3Low95 Ų95131.4 Ų131.479%0.78569%0.694SS**  trans-50.6135.3165.800000108R476 G480R476-A478 PolarHBondContact O-N 2.78Å; R476-A478 VanDerWaalsContact O-N 3.12Å; A478-G480 PolarHBondContact O-N 2.84Å
479R46.6Very low55.3Low252 Ų252128.2 Ų128.295%0.95167%0.666SS**  trans-77.669.8-175.7-167.6-164.7-163.5-164.810.8109.2K477 E481K477-R479 PolarHBondContact O-N 2.83Å; R479-E481 PolarHBondContact O-N 3.16Å
480G48.2Very low57.5Low57 Ų57124.1 Ų124.159%0.58865%0.646SS**  trans-47.4137.2-16900000112.2A478 A482A478-G480 PolarHBondContact O-N 2.84Å; G480-A482 PolarHBondContact O-N 3.31Å
481E47.2Very low59.4Low175 Ų175116.1 Ų116.182%0.81862%0.621SS**  trans-79.143.6-176-151.8-178153.500112.1R479 K483R479-E481 PolarHBondContact O-N 3.16Å; E481-K483 PolarHBondContact O-N 3.49Å
482A58.9Low62Low18 Ų18117.8 Ų117.815%0.14961%0.611CS.*  trans-44.8108.117900000110.8G480 K484 C507 F510G480-A482 PolarHBondContact O-N 3.31Å; A482-K484 WeakPolarHBondContact O-CG 3.3Å; A482-K484 PolarHBondContact O-N 3.31Å; A482-C507 HydrophobicContact CB-CB 4.49Å; A482-F510 WeakPolarHBondContact CB-O 3.27Å
483K66.4Low64.5Low114 Ų114113.5 Ų113.550%0.49659%0.591SS.*  trans-56.4112.3-177.1-70.3155.3-175.6141.70108.7E481 V488 F510 D512E481-K483 PolarHBondContact O-N 3.49Å; K483-V488 HydrophobicContact CB-CG2 4.26Å; K483-F510 WeakPolarHBondContact O-CD2 3.12Å; K483-D512 IonicContact NZ-OD1 2.64Å; K483-D512 PolarHBondContact NZ-OD1 3Å; K483-D512 IonicContact NZ-OD2 3.5Å
484K80.7Confident66.5Low101 Ų101114.2 Ų114.244%0.43957%0.574SS.*  trans-77.2146.7-167.2-63.5164.2-166.1157.20110.3A482 R486 K487 V488 K505A482-K484 WeakPolarHBondContact O-CG 3.3Å; A482-K484 PolarHBondContact O-N 3.31Å; K484-R486 PolarHBondContact O-N 3.34Å; K484-K487 WeakPolarHBondContact O-CA 3.47Å; K484-K487 PolarHBondContact O-N 2.69Å; K484-V488 PolarHBondContact O-N 3.09Å; K484-K505 WeakPolarHBondContact CE-O 3.47Å
485C85.1Confident68.7Low0 Ų0115.5 Ų115.50%056%0.563CS.*Hα-helixtrans-51.2-38.1-179.3-63.10000113.1K487 V488 Y489 W497 C498 C501C485-K487 PolarHBondContact O-N 2.97Å; C485-V488 PolarHBondContact O-N 3.37Å; C485-Y489 HydrophobicContact CB-CD2 4.13Å; C485-Y489 WeakPolarHBondContact O-CB 3.1Å; C485-Y489 PolarHBondContact O-N 3.43Å; C485-W497 HydrophobicContact CB-CB 3.78Å; C485-W497 HydrophobicContact CB-CD2 4.25Å; C485-W497 HydrophobicContact CB-CG 3.58Å; C485-C498 PolarHBondContact SG-N 3.07Å; C485-C498 VanDerWaalsContact SG-SG 3.63Å; C485-C501 HydrophobicContact CB-CB 3.87Å
486R85.8Confident71.2Confident160 Ų160114.8 Ų114.860%0.60454%0.543SS*.Hα-helixtrans-60.9-22.8175.3-171.5169.9-168.61645.9115.2K484 G490 I491 W497K484-R486 PolarHBondContact O-N 3.34Å; R486-G490 CarbonylContact O-C 3.57Å; R486-G490 WeakPolarHBondContact O-CA 3.46Å; R486-I491 HydrophobicContact CG-CG2 3.9Å; R486-W497 HydrophobicContact CB-CH2 3.83Å; R486-W497 HydrophobicContact CB-CZ2 3.53Å; R486-W497 HydrophobicContact CB-CZ3 4.5Å; R486-W497 HydrophobicContact CG-CH2 3.76Å; R486-W497 HydrophobicContact CG-CZ2 3.55Å
487K84.6Confident73.3Confident182 Ų182103.9 Ų103.979%0.79150%0.503SS*.Hα-helixtrans-95.5-20.3177.8-177.757.9177.7174.90112.6K484 C485K484-K487 WeakPolarHBondContact O-CA 3.47Å; K484-K487 PolarHBondContact O-N 2.69Å; C485-K487 PolarHBondContact O-N 2.97Å
488V82.6Confident75.5Confident71 Ų7195.3 Ų95.343%0.4347%0.467SS..Hα-helixtrans-93.5-43.4177.5-178.70000111.8K483 K484 C485 F510K483-V488 HydrophobicContact CB-CG2 4.26Å; K484-V488 PolarHBondContact O-N 3.09Å; C485-V488 PolarHBondContact O-N 3.37Å; V488-F510 HydrophobicContact CB-CE2 4.28Å; V488-F510 HydrophobicContact CB-CZ 4.28Å; V488-F510 HydrophobicContact CG1-CE2 4.4Å; V488-F510 HydrophobicContact CG1-CZ 3.91Å; V488-F510 HydrophobicContact CG2-CD2 4.42Å; V488-F510 HydrophobicContact CG2-CE2 3.94Å; V488-F510 HydrophobicContact CG2-CZ 4.08Å
489Y83.8Confident77.6Confident60 Ų6095.9 Ų95.924%0.23546%0.461CS..SBendtrans-110.49.3-173.6-57.7-68.3000113.4C485 H493 Q496 R509 F510C485-Y489 HydrophobicContact CB-CD2 4.13Å; C485-Y489 WeakPolarHBondContact O-CB 3.1Å; C485-Y489 PolarHBondContact O-N 3.43Å; Y489-H493 WeakPolarHBondContact O-CB 3.37Å; Y489-H493 PolarHBondContact O-CD2 2.9Å; Y489-Q496 HydrophobicContact CD1-CB 4.24Å; Y489-Q496 HydrophobicContact CD2-CB 4.41Å; Y489-Q496 HydrophobicContact CG-CB 4.13Å; Y489-R509 PolarHBondContact OH-NH2 2.96Å; Y489-F510 AromaticContact CE2-CE2 3.95Å; Y489-F510 HydrophobicContact CE2-CE2 3.95Å; Y489-F510 AromaticContact CE2-CZ 3.82Å; Y489-F510 HydrophobicContact CE2-CZ 3.82Å
490G84.1Confident79.2Confident35 Ų3585.1 Ų85.136%0.36143%0.427SS..THydrogen-bonded Turntrans64.1-162.3-17700000114.1R486 W497R486-G490 CarbonylContact O-C 3.57Å; R486-G490 WeakPolarHBondContact O-CA 3.46Å; G490-W497 VanDerWaalsContact O-CZ2 3.27Å; G490-W497 WeakPolarHBondContact O-CZ2 3.34Å; G490-W497 PolarHBondContact O-NE1 3.44Å
491I86.3Confident80.9Confident77 Ų7783.1 Ų83.140%0.39540%0.404SS..THydrogen-bonded Turntrans-96.3-13179.341.4157.7000115.1R486 R494 W497R486-I491 HydrophobicContact CG-CG2 3.9Å; I491-R494 WeakPolarHBondContact O-CG 3.41Å; I491-R494 PolarHBondContact O-NE 3.48Å; I491-W497 HydrophobicContact CG2-CZ2 4.49Å
492E86.7Confident82.4Confident133 Ų13381.8 Ų81.862%0.62139%0.391SS*.THydrogen-bonded Turntrans-87.5-45.3-177.6-54.3-42.311200111.3R494E492-R494 PolarHBondContact O-N 2.9Å
493H85.9Confident83Confident99 Ų9989.7 Ų89.746%0.45842%0.417SS..  trans-79.755179.6-52-59.7000113.1Y489 D495 Q496 W497Y489-H493 WeakPolarHBondContact O-CB 3.37Å; Y489-H493 PolarHBondContact O-CD2 2.9Å; H493-D495 WeakPolarHBondContact CA-OD1 3.3Å; H493-D495 PolarHBondContact O-N 3.23Å; H493-Q496 HydrophobicContact CB-CB 4.39Å; H493-Q496 HydrophobicContact CB-CG 4.07Å; H493-Q496 PolarHBondContact O-N 2.87Å; H493-W497 PolarHBondContact O-NE1 2.82Å
494R85.1Confident82.9Confident147 Ų14790.6 Ų90.656%0.55542%0.421SS*.  trans-67.3-22.3177.7-53.2-174.9-168174.49.1112.5I491 E492 W497 R502I491-R494 WeakPolarHBondContact O-CG 3.41Å; I491-R494 PolarHBondContact O-NE 3.48Å; E492-R494 PolarHBondContact O-N 2.9Å; R494-W497 HydrophobicContact CG-CZ2 4.33Å; R494-W497 WeakPolarHBondContact O-CB 3.34Å; R494-W497 PolarHBondContact O-N 2.93Å; R494-R502 PolarHBondContact O-NE 3.45Å; R494-R502 VanDerWaalsContact O-NE 3.12Å; R494-R502 PolarHBondContact O-NH2 2.95Å
495D88.4Confident82.1Confident100 Ų10094.8 Ų94.854%0.53544%0.439SS..SBendtrans-57.2-47.2168.863.6-52.7000110.9H493 W497 R502H493-D495 WeakPolarHBondContact CA-OD1 3.3Å; H493-D495 PolarHBondContact O-N 3.23Å; D495-W497 PolarHBondContact O-N 3.44Å; D495-R502 PolarHBondContact O-NH2 2.83Å
496Q84.9Confident81.1Confident79 Ų7997.5 Ų97.537%0.36946%0.461SS..SBendtrans-73.8-13.6-177.3-54.5-175.619.500113.4Y489 H493 C498 R509Y489-Q496 HydrophobicContact CD1-CB 4.24Å; Y489-Q496 HydrophobicContact CD2-CB 4.41Å; Y489-Q496 HydrophobicContact CG-CB 4.13Å; H493-Q496 HydrophobicContact CB-CB 4.39Å; H493-Q496 HydrophobicContact CB-CG 4.07Å; H493-Q496 PolarHBondContact O-N 2.87Å; Q496-C498 PolarHBondContact O-N 3.39Å; Q496-R509 PolarHBondContact O-NH1 3.43Å
497W89.1Confident80.6Confident25 Ų2590.2 Ų90.210%0.09544%0.435CS..SBendtrans-68.3129.4176.7-65.816.4000111.3C485 R486 G490 I491 H493 R494 D495 C501 R502C485-W497 HydrophobicContact CB-CB 3.78Å; C485-W497 HydrophobicContact CB-CD2 4.25Å; C485-W497 HydrophobicContact CB-CG 3.58Å; R486-W497 HydrophobicContact CB-CH2 3.83Å; R486-W497 HydrophobicContact CB-CZ2 3.53Å; R486-W497 HydrophobicContact CB-CZ3 4.5Å; R486-W497 HydrophobicContact CG-CH2 3.76Å; R486-W497 HydrophobicContact CG-CZ2 3.55Å; G490-W497 VanDerWaalsContact O-CZ2 3.27Å; G490-W497 WeakPolarHBondContact O-CZ2 3.34Å; G490-W497 PolarHBondContact O-NE1 3.44Å; I491-W497 HydrophobicContact CG2-CZ2 4.49Å; H493-W497 PolarHBondContact O-NE1 2.82Å; R494-W497 HydrophobicContact CG-CZ2 4.33Å; R494-W497 WeakPolarHBondContact O-CB 3.34Å; R494-W497 PolarHBondContact O-N 2.93Å; D495-W497 PolarHBondContact O-N 3.44Å; W497-C501 HydrophobicContact CB-CB 4.47Å; W497-R502 HydrophobicContact CB-CG 3.97Å; W497-R502 HydrophobicContact CE3-CG 4.4Å; W497-R502 PolarHBondContact O-NE 3.37Å
498C86.3Confident79.9Confident21 Ų2188.4 Ų88.414%0.14243%0.429CS..  trans-57.5150.2170.573.20000111.1C485 Q496 A500 C501 R502 C507 R509C485-C498 PolarHBondContact SG-N 3.07Å; C485-C498 VanDerWaalsContact SG-SG 3.63Å; Q496-C498 PolarHBondContact O-N 3.39Å; C498-A500 VanDerWaalsContact C-N 3.31Å; C498-A500 PolarHBondContact O-N 2.71Å; C498-C501 PolarHBondContact O-N 3.26Å; C498-R502 PolarHBondContact O-N 2.9Å; C498-C507 VanDerWaalsContact SG-SG 3.63Å; C498-R509 HydrophobicContact CB-CB 4.32Å
499T82.6Confident79.2Confident107 Ų10791 Ų9166%0.65643%0.432SS*.Hα-helixtrans-48.8-51.4-17650.60000111.8C501 R502 W503T499-C501 PolarHBondContact O-N 2.95Å; T499-C501 VanDerWaalsContact O-N 3.16Å; T499-R502 WeakPolarHBondContact O-CB 3.33Å; T499-R502 PolarHBondContact O-N 3.49Å; T499-W503 PolarHBondContact O-NE1 2.73Å
500A80.3Confident78.3Confident27 Ų2790.8 Ų90.822%0.22343%0.432CS..Hα-helixtrans-53.6-35.8178.200000114.1C498 K504 A506C498-A500 VanDerWaalsContact C-N 3.31Å; C498-A500 PolarHBondContact O-N 2.71Å; A500-K504 CarbonylContact O-C 3.56Å; A500-K504 WeakPolarHBondContact O-CA 3.39Å; A500-K504 WeakPolarHBondContact O-CB 3.17Å; A500-K504 PolarHBondContact O-N 3.03Å; A500-A506 CarbonylContact C-O 3.45Å
501C84.3Confident77.2Confident15 Ų1595.9 Ų95.910%0.10145%0.45CS..Hα-helixtrans-78.8-16.5177.3-83.70000114.5C485 W497 C498 T499 A506 C507C485-C501 HydrophobicContact CB-CB 3.87Å; W497-C501 HydrophobicContact CB-CB 4.47Å; C498-C501 PolarHBondContact O-N 3.26Å; T499-C501 PolarHBondContact O-N 2.95Å; T499-C501 VanDerWaalsContact O-N 3.16Å; C501-A506 PolarHBondContact SG-O 3.21Å; C501-C507 VanDerWaalsContact SG-CA 3.58Å; C501-C507 WeakPolarHBondContact SG-CB 3.48Å; C501-C507 VanDerWaalsContact SG-SG 3.69Å
502R78Confident75.7Confident147 Ų147100.4 Ų100.456%0.55548%0.475SS*.Hα-helixtrans-74.1-26.8176.1-63.7-173.4-176.4-162.26.1112.6R494 D495 W497 C498 T499R494-R502 PolarHBondContact O-NE 3.45Å; R494-R502 VanDerWaalsContact O-NE 3.12Å; R494-R502 PolarHBondContact O-NH2 2.95Å; D495-R502 PolarHBondContact O-NH2 2.83Å; W497-R502 HydrophobicContact CB-CG 3.97Å; W497-R502 HydrophobicContact CE3-CG 4.4Å; W497-R502 PolarHBondContact O-NE 3.37Å; C498-R502 PolarHBondContact O-N 2.9Å; T499-R502 WeakPolarHBondContact O-CB 3.33Å; T499-R502 PolarHBondContact O-N 3.49Å
503W71.6Confident75.2Confident183 Ų18398.8 Ų98.869%0.69347%0.468SS*.Hα-helixtrans-130.5-11.7-176.946.9-75.4000115.8T499T499-W503 PolarHBondContact O-NE1 2.73Å
504K65.2Low74.6Confident133 Ų13398.8 Ų98.858%0.57847%0.468SS*.SBendtrans-133.8161.8175.8-70-178176.3177.50111.6A500 A506A500-K504 CarbonylContact O-C 3.56Å; A500-K504 WeakPolarHBondContact O-CA 3.39Å; A500-K504 WeakPolarHBondContact O-CB 3.17Å; A500-K504 PolarHBondContact O-N 3.03Å; K504-A506 PolarHBondContact O-N 3.47Å
505K64Low74Confident189 Ų18996.1 Ų96.182%0.82246%0.464SS*.SBendtrans-82.817.1-179.1-75.9-173177178.60114.5K484K484-K505 WeakPolarHBondContact CE-O 3.47Å
506A63Low73.2Confident57 Ų5795.9 Ų95.947%0.47146%0.459SS..  trans-110.7137.4178.700000110.5A500 C501 K504A500-A506 CarbonylContact C-O 3.45Å; C501-A506 PolarHBondContact SG-O 3.21Å; K504-A506 PolarHBondContact O-N 3.47Å
507C76.9Confident72.4Confident7 Ų796.9 Ų96.95%0.04747%0.465CS..  trans-108.3133.5169.5-162.90000109.5A482 C498 C501A482-C507 HydrophobicContact CB-CB 4.49Å; C498-C507 VanDerWaalsContact SG-SG 3.63Å; C501-C507 VanDerWaalsContact SG-CA 3.58Å; C501-C507 WeakPolarHBondContact SG-CB 3.48Å; C501-C507 VanDerWaalsContact SG-SG 3.69Å
508Q69.7Low71.3Confident144 Ų144101.7 Ų101.767%0.67349%0.49SS*.SBendtrans-101.4-9.5174.9-158.661.742.100112.2
509R68.1Low70.3Confident126 Ų126107.5 Ų107.548%0.47552%0.515SS..SBendtrans-93.8-13.3-174.9-133.3176.677.3-158.22.4114.1Y489 Q496 C498Y489-R509 PolarHBondContact OH-NH2 2.96Å; Q496-R509 PolarHBondContact O-NH1 3.43Å; C498-R509 HydrophobicContact CB-CB 4.32Å
510F64.5Low69.3Low56 Ų56107.5 Ų107.525%0.24650%0.504CS..  trans-124.496.5171.4-59.1-73.5000107.1A482 K483 V488 Y489A482-F510 WeakPolarHBondContact CB-O 3.27Å; K483-F510 WeakPolarHBondContact O-CD2 3.12Å; V488-F510 HydrophobicContact CB-CE2 4.28Å; V488-F510 HydrophobicContact CB-CZ 4.28Å; V488-F510 HydrophobicContact CG1-CE2 4.4Å; V488-F510 HydrophobicContact CG1-CZ 3.91Å; V488-F510 HydrophobicContact CG2-CD2 4.42Å; V488-F510 HydrophobicContact CG2-CE2 3.94Å; V488-F510 HydrophobicContact CG2-CZ 4.08Å; Y489-F510 AromaticContact CE2-CE2 3.95Å; Y489-F510 HydrophobicContact CE2-CE2 3.95Å; Y489-F510 AromaticContact CE2-CZ 3.82Å; Y489-F510 HydrophobicContact CE2-CZ 3.82Å
511L59.4Low68.4Low141 Ų141114.3 Ų114.374%0.73853%0.527SS*.  trans-84.6141.5155.8-58.8178.5000106.5
512D56.4Low67Low173 Ų173123.3 Ų123.393%0.92557%0.566SS**  trans-1040169.6-136.858.9000106.6K483K483-D512 IonicContact NZ-OD1 2.64Å; K483-D512 PolarHBondContact NZ-OD1 3Å; K483-D512 IonicContact NZ-OD2 3.5Å

Retrieved 512 of 512 residues in 152.5 ms (Link to these results)