A0A096MMK7_PAPAN Loading...

Zinc finger CCHC domain-containing protein 9

May down-regulate transcription mediated by NF-kappa-B and the serum response element.

AlphaFold DB (A0A2K6DFU6), UniProt , Accession A0A096MMK7, Species PAPAN (Papio anubis, Olive baboon), Gene ZCCHC9, Length 270 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
1M48.6Very low47.4Very low243 Ų243162.8 Ų162.8100%1.19784%0.844SS**  0970-88.5172.1153.100108.7
2T44.9Very low48.4Very low132 Ų132162.3 Ų162.381%0.8184%0.843SS**  trans-144.8107.6171.831.90000107.6
3R44.3Very low49.5Very low252 Ų252163.5 Ų163.595%0.95184%0.838SS**  trans-79113.3178.6-76.7161.172.4-178.13108.1
4W45.4Very low50.5Low250 Ų250168.7 Ų168.795%0.94784%0.842SS**PPolyproline II helixtrans-84.6122164-76.8-34.2000110.1
5A47.7Very low51.5Low97 Ų97165.8 Ų165.880%0.80284%0.84SS**PPolyproline II helixtrans-68.1132.8178.300000110.8
6R51.8Low52.6Low244 Ų244165.7 Ų165.792%0.92184%0.841SS**PPolyproline II helixtrans-87.5118.6165.5-68-176.6-175.3164.41.3108S8R6-S8 PolarHBondContact O-N 3.26Å
7V46Very low53.9Low131 Ų131162.8 Ų162.879%0.79484%0.836SS**PPolyproline II helixtrans-73.4118.2169.1172.30000108.1T9V7-T9 HydrophobicContact CG1-CG2 4.42Å
8S47.7Very low55Low101 Ų101159.2 Ų159.271%0.70683%0.834SS**  trans-88.7110.2170.251.30000109.6R6 T10R6-S8 PolarHBondContact O-N 3.26Å; S8-T10 PolarHBondContact O-N 2.99Å
9T45.2Very low56.3Low128 Ų128156.5 Ų156.579%0.78583%0.825SS**  trans-85.186.517148.10000110.3V7 C11V7-T9 HydrophobicContact CG1-CG2 4.42Å; T9-C11 PolarHBondContact O-N 3.24Å
10T47.4Very low57.3Low114 Ų114151.3 Ų151.370%0.69980%0.802SS**  trans-86.585.8162.652.90000108.7S8 N12S8-T10 PolarHBondContact O-N 2.99Å; T10-N12 PolarHBondContact O-N 3.1Å
11C51.8Low57.3Low99 Ų99153.6 Ų153.667%0.66980%0.8SS**  trans-85.688168-154.70000108.5T9 K13T9-C11 PolarHBondContact O-N 3.24Å; C11-K13 VanDerWaalsContact C-N 3.26Å; C11-K13 PolarHBondContact O-N 2.96Å
12N60Low58.4Low156 Ų156148.7 Ų148.783%0.83477%0.774SS**  trans-75.977.6169.7-73.9-28.2000109.4T10T10-N12 PolarHBondContact O-N 3.1Å
13K62.7Low59.7Low178 Ų178147 Ų14777%0.77476%0.76SS**  trans-104.2116.9162.1-70.2-172.8-178.6-176.30108.1C11C11-K13 VanDerWaalsContact C-N 3.26Å; C11-K13 PolarHBondContact O-N 2.96Å
14R63.2Low60.8Low237 Ų237141.6 Ų141.689%0.89475%0.747SS**PPolyproline II helixtrans-59131172.5-72.6-179.8-179.9-178.7-0.1108.4L16R14-L16 PolarHBondContact O-N 3.35Å
15P66.1Low61.9Low125 Ų125137.4 Ų137.481%0.81274%0.736SS**PPolyproline II helixtrans-62135.9171.225.3-31.1000109.1
16L68.9Low62.4Low164 Ų164140.9 Ų140.986%0.85973%0.733SS**PPolyproline II helixtrans-63.2145.7174.7-66.7173.3000109.7R14R14-L16 PolarHBondContact O-N 3.35Å
17P74.8Confident62.2Low117 Ų117132.3 Ų132.376%0.7672%0.72SS**PPolyproline II helixtrans-63.7144.2177.127.8-33.9000110.4
18A73.1Confident62.3Low97 Ų97131 Ų13180%0.80272%0.717SS**PPolyproline II helixtrans-58.3140.3176.900000110.8
19T79.4Confident61.6Low109 Ų109135.7 Ų135.767%0.66973%0.725SS**PPolyproline II helixtrans-57.1138.417338.90000110.4
20S77.4Confident61Low51 Ų51139.5 Ų139.536%0.35773%0.734SS.*PPolyproline II helixtrans-69.6150.3-176.286.50000110.6E22 D23S20-E22 PolarHBondContact O-N 2.93Å; S20-E22 VanDerWaalsContact O-N 3.14Å; S20-D23 PolarHBondContact O-N 2.88Å; S20-D23 VanDerWaalsContact O-N 3.13Å; S20-D23 VanDerWaalsContact OG-CG 3.24Å; S20-D23 PolarHBondContact OG-OD2 3.29Å
21W56.8Low60.3Low200 Ų200137 Ų13776%0.75873%0.732SS**THydrogen-bonded Turntrans-63.5-21-177.6-154.275.1000113
22E72.1Confident59.3Low141 Ų141139 Ų13966%0.65974%0.741SS**THydrogen-bonded Turntrans-75.9-34.6178.1-65.5175.6-178.500111.8S20 K25 K26S20-E22 PolarHBondContact O-N 2.93Å; S20-E22 VanDerWaalsContact O-N 3.14Å; E22-K25 PolarHBondContact O-N 3.29Å; E22-K26 PolarHBondContact O-N 2.88Å
23D71.4Confident57.9Low96 Ų96136.7 Ų136.751%0.51374%0.737SS.*Hα-helixtrans-71.9-33.9180-59.6-42.3000111.7S20 K25 K26S20-D23 PolarHBondContact O-N 2.88Å; S20-D23 VanDerWaalsContact O-N 3.13Å; S20-D23 VanDerWaalsContact OG-CG 3.24Å; S20-D23 PolarHBondContact OG-OD2 3.29Å; D23-K25 PolarHBondContact O-N 3.44Å; D23-K26 PolarHBondContact O-N 2.94Å
24M67.7Low56.5Low139 Ų139135.9 Ų135.969%0.68574%0.736SS**Hα-helixtrans-69.7-22174.6-67.7-17370.700113.1
25K69.2Low54.9Low162 Ų162132 Ų13270%0.70473%0.732SS**Hα-helixtrans-86.6-20.8-178.9-144.6-179.3-169-173.80112.9E22 D23E22-K25 PolarHBondContact O-N 3.29Å; D23-K25 PolarHBondContact O-N 3.44Å
26K57.6Low53Low169 Ų169133.4 Ų133.474%0.73573%0.732SS**Hα-helixtrans-84.3-13.1179.3-73177.7-178.8177.90113.7E22 D23 S28E22-K26 PolarHBondContact O-N 2.88Å; D23-K26 PolarHBondContact O-N 2.94Å; K26-S28 VanDerWaalsContact C-N 3.27Å; K26-S28 PolarHBondContact O-N 2.92Å; K26-S28 VanDerWaalsContact O-N 3.11Å
27G47.9Very low51.7Low64 Ų64130.5 Ų130.566%0.6672%0.723SS**SBendtrans-81.732.7-177.200000116.5
28S48.7Very low49.5Very low105 Ų105134.1 Ų134.173%0.73473%0.727SS**SBendtrans-156.580.5173-810000110.8K26K26-S28 VanDerWaalsContact C-N 3.27Å; K26-S28 PolarHBondContact O-N 2.92Å; K26-S28 VanDerWaalsContact O-N 3.11Å
29F32.1Very low47.4Very low198 Ų198137.1 Ų137.187%0.86873%0.725SS**  trans170102.6141.6-117.7-101.7000109
30E32.9Very low45Very low208 Ų208139.9 Ų139.997%0.97273%0.727SS**  trans-130110.6152.7-80.3-16716400108
31G32.6Very low42.8Very low63 Ų63144.7 Ų144.765%0.64974%0.744SS**  trans-166.889.6-179.400000107.3
32T30.8Very low41.5Very low141 Ų141142.5 Ų142.587%0.86575%0.746SS**  trans-54132.9-178.1-57.30000114.4
33S31Very low39.4Very low106 Ų106144.8 Ų144.874%0.74176%0.757SS**  trans-175.5104.4140.6-175.60000113.5
34Q32.5Very low37.4Very low161 Ų161144 Ų14475%0.75276%0.764SS**  trans39.1123.3133.4-58.2-169-3.600124.2
35N29.5Very low35.7Very low155 Ų155144.4 Ų144.483%0.82977%0.769SS**  trans75.1134.8133.2-70.5-52.6000124.3
36L26.7Very low33.8Very low155 Ų155148.7 Ų148.781%0.81278%0.781SS**  trans-72.3-178.3176.1-123.170.3000113.3
37P40.9Very low32.5Very low103 Ų103148.4 Ų148.467%0.66979%0.786SS**  cis-144.6168.1133.3-9.1000120.2
38K29.2Very low31.6Very low193 Ų193151 Ų15184%0.83979%0.794SS**  trans42.2131144.4-67.3176179.6175.60122.4
39H28.3Very low30.9Very low161 Ų161154 Ų15475%0.74580%0.801SS**  165.6112.1105-168.7-96.2000115
40K30.1Very low30.8Very low167 Ų167152.6 Ų152.673%0.72680%0.795SS**  57.6145.1128.9-121.2172.3-179-179.10125.2
41Q30.6Very low30.7Very low151 Ų151150.7 Ų150.771%0.70679%0.791SS**  trans84.3109.7155.6-63.4-154.4-19.600118.6
42L29.4Very low30.6Very low154 Ų154154.1 Ų154.181%0.80679%0.794SS**  73.7109.178.8-73173.7000113.2
43E29.1Very low30.7Very low190 Ų190151.4 Ų151.489%0.88879%0.787SS**  178.6135.7110.8-96.7-160.716500114.9
44A28.9Very low30.9Very low79 Ų79152 Ų15265%0.65379%0.79SS**  trans43114138.500000123.5
45N31.5Very low31.2Very low148 Ų148151.7 Ų151.779%0.79179%0.789SS**  51.6107.8122-71.6-33.2000120.4
46R30.1Very low31.5Very low252 Ų252148.2 Ų148.295%0.95178%0.782SS**  -142.3107.2129.7-124179.6-178.6173.41.1110.7
47L29.8Very low31.8Very low163 Ų163149 Ų14985%0.85378%0.779SS**  trans-64.6128.1166.7-73.3157.5000109
48S29.7Very low31.8Very low118 Ų118152.5 Ų152.583%0.82579%0.786SS**  trans-132.3121.3154.3-160.60000107.9
49L33.6Very low32.2Very low169 Ų169152.7 Ų152.789%0.88579%0.787SS**  trans-66.7137.2-175.9-76.6158.5000110.4
50K29Very low32.9Very low168 Ų168154.1 Ų154.173%0.7379%0.791SS**  trans-62.9131.1174.7-61.7164.8175.8177.90109.8
51N31.4Very low33.6Very low167 Ų167156 Ų15689%0.89380%0.799SS**  trans-112.292.8145.2-81.5-22.1000106.2A53N51-A53 VanDerWaalsContact C-N 3.31Å; N51-A53 PolarHBondContact O-N 3.37Å
52D30.9Very low34.3Very low135 Ų135158.1 Ų158.172%0.72281%0.806SS**  trans-66.591.1173-76-54.5000108.5S54D52-S54 VanDerWaalsContact C-N 3.34Å; D52-S54 PolarHBondContact O-N 3.27Å
53A33Very low35.2Very low85 Ų85159 Ų15970%0.70280%0.803SS**  trans-63.8101.8158.200000106.6N51 Q55N51-A53 VanDerWaalsContact C-N 3.31Å; N51-A53 PolarHBondContact O-N 3.37Å; A53-Q55 PolarHBondContact O-N 2.92Å
54S35.6Very low36.4Very low117 Ų117159.6 Ų159.682%0.81880%0.803SS**  trans-66.771.9168.352.20000109D52 A56D52-S54 VanDerWaalsContact C-N 3.34Å; D52-S54 PolarHBondContact O-N 3.27Å; S54-A56 PolarHBondContact O-N 3.2Å
55Q37.5Very low37.4Very low155 Ų155164.6 Ų164.672%0.72481%0.813SS**  trans-64.792.2157.2-69-156.82.600106.1A53 K57A53-Q55 PolarHBondContact O-N 2.92Å; Q55-K57 PolarHBondContact O-N 3.27Å
56A36.5Very low38.3Very low83 Ų83164.5 Ų164.569%0.68680%0.802SS**  trans-5885.115900000106.5S54 H58S54-A56 PolarHBondContact O-N 3.2Å; A56-H58 PolarHBondContact O-N 2.92Å
57K31.5Very low39.7Very low172 Ų172158.3 Ų158.375%0.74879%0.787SS**  trans-62.190.9167.2-71.5-178.2-179.6177.20105.1Q55 K59Q55-K57 PolarHBondContact O-N 3.27Å; K57-K59 PolarHBondContact O-N 3.43Å
58H41.2Very low41.2Very low175 Ų175155 Ų15581%0.8177%0.771SS**  trans-54.5100.2158.8-80.3-70.1000105.3A56 K60A56-H58 PolarHBondContact O-N 2.92Å; H58-K60 VanDerWaalsContact C-N 3.27Å; H58-K60 PolarHBondContact O-N 2.87Å
59K38.8Very low42.8Very low198 Ų198155.5 Ų155.586%0.86176%0.76SS**  trans-54.8102.1170.1-78.8-178.7175.8177.20104.7K57 K61K57-K59 PolarHBondContact O-N 3.43Å; K59-K61 VanDerWaalsContact C-N 3.29Å; K59-K61 PolarHBondContact O-N 3.19Å
60K42.5Very low44Very low191 Ų191150.6 Ų150.683%0.8374%0.735SS**  trans-50.6104.1167.7-78-177.5175.6-178.50104.4H58 K62H58-K60 VanDerWaalsContact C-N 3.27Å; H58-K60 PolarHBondContact O-N 2.87Å; K60-K62 PolarHBondContact O-N 3.15Å
61K44.9Very low45.5Very low207 Ų207148.3 Ų148.390%0.973%0.734SS**  trans-59.896.9165.3-108.7179.11771730103K59 K63K59-K61 VanDerWaalsContact C-N 3.29Å; K59-K61 PolarHBondContact O-N 3.19Å; K61-K63 PolarHBondContact O-N 3.27Å
62K45.5Very low47.1Very low194 Ų194147.2 Ų147.284%0.84373%0.729SS**  trans-47.2120.5168-80.5-176.5174.3-176.90104.1K60 K64K60-K62 PolarHBondContact O-N 3.15Å; K62-K64 PolarHBondContact O-N 3.43Å
63K47.7Very low48.9Very low174 Ų174141.9 Ų141.976%0.75771%0.705SS**  trans-45.3119.8167.9-107.5172.9178.6163.20104.3K61 E65K61-K63 PolarHBondContact O-N 3.27Å; K63-E65 VanDerWaalsContact C-N 3.3Å; K63-E65 PolarHBondContact O-N 3.28Å
64K55.3Low50.6Low202 Ų202143.5 Ų143.588%0.87870%0.697SS**  trans-50.2106.9176.8-80.4-176174.9-173.70105.4K62 Y66K62-K64 PolarHBondContact O-N 3.43Å; K64-Y66 VanDerWaalsContact C-N 3.31Å; K64-Y66 PolarHBondContact O-N 2.85Å
65E50.2Low52Low183 Ų183141.9 Ų141.986%0.85568%0.677SS**  trans-62.4107.7172.1-164.8156.7-14400102.5K63 L67K63-E65 VanDerWaalsContact C-N 3.3Å; K63-E65 PolarHBondContact O-N 3.28Å; E65-L67 PolarHBondContact O-N 3.49Å
66Y49.3Very low53.5Low146 Ų146139.4 Ų139.457%0.57367%0.665SS**  trans-74.786.6-175.7-170.5-81000105.3K64 N68 R116K64-Y66 VanDerWaalsContact C-N 3.31Å; K64-Y66 PolarHBondContact O-N 2.85Å; Y66-N68 PolarHBondContact O-N 3.22Å; Y66-R116 VanDerWaalsContact CD1-CZ 3.41Å
67L59.8Low55.1Low122 Ų122141.6 Ų141.664%0.63966%0.657SS**  trans-52.6120.4161-109.8152000105.6E65 E69E65-L67 PolarHBondContact O-N 3.49Å; L67-E69 HydrophobicContact CB-CG 4.18Å; L67-E69 HydrophobicContact CD2-CG 4.31Å; L67-E69 PolarHBondContact O-N 3.27Å
68N60.8Low56.8Low95 Ų95136.7 Ų136.751%0.50864%0.639SS.*  trans-75.260176-144.2-56.5000108.1Y66 E113Y66-N68 PolarHBondContact O-N 3.22Å; N68-E113 PolarHBondContact ND2-OE1 3.46Å; N68-E113 PolarHBondContact ND2-OE2 3.43Å
69E63.8Low58.1Low127 Ų127136 Ų13659%0.59363%0.629SS**  trans-73.4132.7171.6-78.3166.9-17000107L67 V71L67-E69 HydrophobicContact CB-CG 4.18Å; L67-E69 HydrophobicContact CD2-CG 4.31Å; L67-E69 PolarHBondContact O-N 3.27Å; E69-V71 WeakPolarHBondContact O-CG2 3.4Å; E69-V71 PolarHBondContact O-N 2.93Å
70D58.7Low59.4Low67 Ų67131.4 Ų131.436%0.35861%0.61SS.*  trans-6584176.8-179.411.9000109.6N72 G73 F74 M75D70-N72 PolarHBondContact O-N 2.93Å; D70-N72 VanDerWaalsContact O-N 3.07Å; D70-G73 PolarHBondContact O-N 3.12Å; D70-G73 PolarHBondContact OD1-N 3.4Å; D70-G73 VanDerWaalsContact OD1-N 3.11Å; D70-G73 VanDerWaalsContact OD2-CA 3.26Å; D70-G73 WeakPolarHBondContact OD2-CA 3.47Å; D70-F74 VanDerWaalsContact CG-N 3.27Å; D70-F74 PolarHBondContact OD1-N 2.74Å; D70-F74 PolarHBondContact OD2-N 2.83Å; D70-M75 WeakPolarHBondContact OD2-CB 3.18Å; D70-M75 PolarHBondContact OD2-N 3Å
71V60.4Low60.2Low119 Ų119125.1 Ų125.172%0.72159%0.586SS**THydrogen-bonded Turntrans-61.1-21.4-174.3-1720000112E69E69-V71 WeakPolarHBondContact O-CG2 3.4Å; E69-V71 PolarHBondContact O-N 2.93Å
72N64.9Low60.7Low145 Ų145118.1 Ų118.178%0.77556%0.563SS**THydrogen-bonded Turntrans-111.24.1-173.9-67.419.8000112.9D70 F74D70-N72 PolarHBondContact O-N 2.93Å; D70-N72 VanDerWaalsContact O-N 3.07Å; N72-F74 PolarHBondContact O-N 3.38Å; N72-F74 VanDerWaalsContact O-N 3.17Å
73G70.1Confident61.1Low22 Ų22116 Ų11623%0.22756%0.556CS.*  trans56.428.7-175.900000112.8D70 E76 Y77D70-G73 PolarHBondContact O-N 3.12Å; D70-G73 PolarHBondContact OD1-N 3.4Å; D70-G73 VanDerWaalsContact OD1-N 3.11Å; D70-G73 VanDerWaalsContact OD2-CA 3.26Å; D70-G73 WeakPolarHBondContact OD2-CA 3.47Å; G73-E76 CarbonylContact O-C 3.6Å; G73-E76 PolarHBondContact O-N 3.23Å; G73-Y77 WeakPolarHBondContact O-CB 3.31Å; G73-Y77 PolarHBondContact O-N 2.93Å
74F68.4Low61Low119 Ų119114.8 Ų114.852%0.52256%0.555SS.*Hα-helixtrans-67-37.6-176.7-178-105.6000112.2D70 N72 E76 L78D70-F74 VanDerWaalsContact CG-N 3.27Å; D70-F74 PolarHBondContact OD1-N 2.74Å; D70-F74 PolarHBondContact OD2-N 2.83Å; N72-F74 PolarHBondContact O-N 3.38Å; N72-F74 VanDerWaalsContact O-N 3.17Å; F74-E76 VanDerWaalsContact C-N 3.33Å; F74-L78 HydrophobicContact CD1-CD1 4.01Å; F74-L78 HydrophobicContact CE1-CD1 3.58Å; F74-L78 HydrophobicContact CZ-CD1 3.91Å; F74-L78 WeakPolarHBondContact O-CG 3.34Å; F74-L78 PolarHBondContact O-N 3.48Å
75M65.2Low60.7Low83 Ų83110.6 Ų110.641%0.40955%0.546SS..Hα-helixtrans-72.8-27.9173-68.5-160.166.100112.5D70 R79 L106D70-M75 WeakPolarHBondContact OD2-CB 3.18Å; D70-M75 PolarHBondContact OD2-N 3Å; M75-R79 PolarHBondContact O-N 3.46Å; M75-R79 PolarHBondContact O-NE 3.38Å; M75-L106 HydrophobicContact CE-CD2 4.08Å
76E67.7Low60Low103 Ų103108.5 Ų108.548%0.48154%0.536SS..Hα-helixtrans-77.9-39.6175.6-167.9155.6-157.300111.6G73 F74 R79 Q80G73-E76 CarbonylContact O-C 3.6Å; G73-E76 PolarHBondContact O-N 3.23Å; F74-E76 VanDerWaalsContact C-N 3.33Å; E76-R79 WeakPolarHBondContact O-CB 3.43Å; E76-R79 PolarHBondContact O-N 3.33Å; E76-Q80 WeakPolarHBondContact O-CB 3.33Å; E76-Q80 WeakPolarHBondContact O-CG 3.45Å; E76-Q80 PolarHBondContact O-N 3.32Å
77Y69.9Low59.5Low129 Ų129109 Ų10951%0.50655%0.549SS..Hα-helixtrans-61.2-43.7171.7175.5-100.8000111.9G73 R79 Q80 N81G73-Y77 WeakPolarHBondContact O-CB 3.31Å; G73-Y77 PolarHBondContact O-N 2.93Å; Y77-R79 VanDerWaalsContact C-N 3.31Å; Y77-R79 PolarHBondContact O-N 3.09Å; Y77-Q80 PolarHBondContact O-N 3.03Å; Y77-N81 VanDerWaalsContact CE2-ND2 3.35Å; Y77-N81 WeakPolarHBondContact CE2-ND2 3.19Å; Y77-N81 VanDerWaalsContact O-CB 3.3Å; Y77-N81 WeakPolarHBondContact O-CB 3.42Å; Y77-N81 PolarHBondContact O-N 2.88Å; Y77-N81 PolarHBondContact OH-ND2 2.82Å
78L67.6Low59Low70 Ų70107.6 Ų107.637%0.36656%0.564SS.*Hα-helixtrans-61.4-38.7174-81.3163.3000112.2F74 S82F74-L78 HydrophobicContact CD1-CD1 4.01Å; F74-L78 HydrophobicContact CE1-CD1 3.58Å; F74-L78 HydrophobicContact CZ-CD1 3.91Å; F74-L78 WeakPolarHBondContact O-CG 3.34Å; F74-L78 PolarHBondContact O-N 3.48Å; L78-S82 VanDerWaalsContact O-CB 3.23Å; L78-S82 WeakPolarHBondContact O-CB 3.46Å; L78-S82 PolarHBondContact O-N 2.93Å
79R69.3Low58.1Low159 Ų159110.6 Ų110.660%0.658%0.575SS**Hα-helixtrans-67.8-40.4174.8-87.9-177.8-71.8176.81.4113M75 E76 Y77M75-R79 PolarHBondContact O-N 3.46Å; M75-R79 PolarHBondContact O-NE 3.38Å; E76-R79 WeakPolarHBondContact O-CB 3.43Å; E76-R79 PolarHBondContact O-N 3.33Å; Y77-R79 VanDerWaalsContact C-N 3.31Å; Y77-R79 PolarHBondContact O-N 3.09Å
80Q66.1Low57.1Low102 Ų102112.7 Ų112.748%0.47759%0.588SS.*Hα-helixtrans-74.4-40.4179.6-73.1173.85.900111.7E76 Y77 Q83 M84E76-Q80 WeakPolarHBondContact O-CB 3.33Å; E76-Q80 WeakPolarHBondContact O-CG 3.45Å; E76-Q80 PolarHBondContact O-N 3.32Å; Y77-Q80 PolarHBondContact O-N 3.03Å; Q80-Q83 WeakPolarHBondContact O-CB 3.39Å; Q80-Q83 PolarHBondContact O-N 2.69Å; Q80-Q83 VanDerWaalsContact O-N 3.15Å; Q80-M84 WeakPolarHBondContact O-CG 3.43Å
81N58.8Low56.5Low60 Ų60113.3 Ų113.332%0.32159%0.594SS.*Hα-helixtrans-77.5-24.9179.3-90.822.3000113.9Y77 Q83 M84Y77-N81 VanDerWaalsContact CE2-ND2 3.35Å; Y77-N81 WeakPolarHBondContact CE2-ND2 3.19Å; Y77-N81 VanDerWaalsContact O-CB 3.3Å; Y77-N81 WeakPolarHBondContact O-CB 3.42Å; Y77-N81 PolarHBondContact O-N 2.88Å; Y77-N81 PolarHBondContact OH-ND2 2.82Å; N81-Q83 PolarHBondContact O-N 3.48Å; N81-M84 PolarHBondContact O-N 3.3Å; N81-M84 VanDerWaalsContact O-N 3.12Å
82S56.1Low55.9Low60 Ų60110.9 Ų110.942%0.4259%0.586SS.*THydrogen-bonded Turntrans-58-21.2165.61660000112.5L78L78-S82 VanDerWaalsContact O-CB 3.23Å; L78-S82 WeakPolarHBondContact O-CB 3.46Å; L78-S82 PolarHBondContact O-N 2.93Å
83Q53Low55.4Low148 Ų148109.5 Ų109.569%0.69258%0.583SS**THydrogen-bonded Turntrans-89.4-10.9177.7-65.7176.4-19.200113.7Q80 N81Q80-Q83 WeakPolarHBondContact O-CB 3.39Å; Q80-Q83 PolarHBondContact O-N 2.69Å; Q80-Q83 VanDerWaalsContact O-N 3.15Å; N81-Q83 PolarHBondContact O-N 3.48Å
84M46.5Very low54.7Low150 Ų150112.7 Ų112.774%0.73960%0.596SS**THydrogen-bonded Turntrans-1203-163.7-58.1-165.985.100116.2Q80 N81Q80-M84 WeakPolarHBondContact O-CG 3.43Å; N81-M84 PolarHBondContact O-N 3.3Å; N81-M84 VanDerWaalsContact O-N 3.12Å
85V47.4Very low55.1Low113 Ų113109 Ų10969%0.68558%0.584SS**  trans-133.480.7178.1-164.80000112
86H36.4Very low55.9Low140 Ų140112.1 Ų112.165%0.64860%0.598SS**SBendtrans-158.9112.2140.6-120-76.4000110.4G88 Q89 V91H86-G88 PolarHBondContact O-N 3.17Å; H86-Q89 PolarHBondContact O-N 3.12Å; H86-V91 HydrophobicContact CB-CG2 4.13Å
87N39.5Very low56.6Low156 Ų156114.3 Ų114.383%0.83461%0.608SS**THydrogen-bonded Turntrans-5.778.8167.5-65.4-16.9000117.4Q89N87-Q89 PolarHBondContact O-N 2.96Å
88G47.6Very low57.2Low93 Ų93110.2 Ų110.296%0.95960%0.596SS**THydrogen-bonded Turntrans60.811.8164.900000116.6H86H86-G88 PolarHBondContact O-N 3.17Å
89Q42.8Very low58Low158 Ų158113 Ų11374%0.73860%0.602SS**SBendtrans-127.7119.1178.3-149.6160.49.300108.6H86 N87 V91H86-Q89 PolarHBondContact O-N 3.12Å; N87-Q89 PolarHBondContact O-N 2.96Å; Q89-V91 VanDerWaalsContact C-N 3.27Å; Q89-V91 PolarHBondContact O-N 3.31Å
90I43.5Very low58.9Low170 Ų170111.5 Ų111.587%0.87260%0.602SS**  trans-65.389.6179.1-56.7166.8000107A92I90-A92 PolarHBondContact O-N 3.28Å
91V46.2Very low59.9Low81 Ų81113 Ų11349%0.49161%0.609SS.*  trans-70.6118.1165.9-174.10000105.3H86 Q89 T93 S95H86-V91 HydrophobicContact CB-CG2 4.13Å; Q89-V91 VanDerWaalsContact C-N 3.27Å; Q89-V91 PolarHBondContact O-N 3.31Å; V91-T93 PolarHBondContact O-N 3.44Å; V91-S95 WeakPolarHBondContact CG1-OG 3.3Å
92A47.6Very low61.1Low67 Ų67113.9 Ų113.955%0.55461%0.613SS**  trans-46.6142.418000000110.2I90 D94 S95I90-A92 PolarHBondContact O-N 3.28Å; A92-D94 PolarHBondContact O-N 2.7Å; A92-S95 PolarHBondContact O-N 3.29Å
93T53.4Low62.7Low116 Ų116113.6 Ų113.671%0.71261%0.614SS**THydrogen-bonded Turntrans-58.413.1179.750.60000115.1V91V91-T93 PolarHBondContact O-N 3.44Å
94D56Low64.6Low90 Ų90110 Ų11048%0.48160%0.602SS.*THydrogen-bonded Turntrans-136.318-161.5-106.143.2000111.5A92 E96 R99A92-D94 PolarHBondContact O-N 2.7Å; D94-E96 PolarHBondContact O-N 3.14Å; D94-R99 VanDerWaalsContact CB-NH2 3.32Å; D94-R99 PolarHBondContact O-NH2 2.85Å; D94-R99 IonicContact OD1-CZ 4Å; D94-R99 IonicContact OD1-NH1 3.44Å; D94-R99 PolarHBondContact OD1-NH1 3.37Å; D94-R99 IonicContact OD2-CZ 3.27Å; D94-R99 VanDerWaalsContact OD2-CZ 3.27Å; D94-R99 IonicContact OD2-NH1 2.85Å; D94-R99 PolarHBondContact OD2-NH1 3.48Å; D94-R99 IonicContact OD2-NH2 2.83Å; D94-R99 PolarHBondContact OD2-NH2 3.44Å
95S77Confident66.5Low41 Ų41104.3 Ų104.329%0.28758%0.579SS.*  trans-61.3131.6169.6-85.80000110.6V91 A92 E97 V98 R99V91-S95 WeakPolarHBondContact CG1-OG 3.3Å; A92-S95 PolarHBondContact O-N 3.29Å; S95-E97 PolarHBondContact O-N 3.41Å; S95-V98 PolarHBondContact O-N 2.94Å; S95-V98 VanDerWaalsContact O-N 3.09Å; S95-R99 PolarHBondContact O-N 3.31Å
96E82Confident68.5Low148 Ų148103.1 Ų103.169%0.69257%0.568SS**Hα-helixtrans-53.4-38.9-178.3-135.8173.3177.900111.6D94 V98 R99 E100D94-E96 PolarHBondContact O-N 3.14Å; E96-V98 PolarHBondContact O-N 3.24Å; E96-R99 WeakPolarHBondContact O-CB 3.26Å; E96-R99 PolarHBondContact O-N 3.31Å; E96-R99 VanDerWaalsContact O-N 3.12Å; E96-E100 WeakPolarHBondContact O-CG 3.34Å; E96-E100 PolarHBondContact O-N 3.32Å
97E81.4Confident71.2Confident149 Ų149102.9 Ų102.970%0.69657%0.565SS**Hα-helixtrans-58.9-43.5178-60179.5177.600112.9S95 R99 E100 E101S95-E97 PolarHBondContact O-N 3.41Å; E97-R99 VanDerWaalsContact C-N 3.33Å; E97-R99 PolarHBondContact O-N 3.39Å; E97-E100 PolarHBondContact O-N 3.47Å; E97-E101 WeakPolarHBondContact O-CG 3.45Å; E97-E101 PolarHBondContact O-N 2.92Å
98V82.2Confident73.7Confident43 Ų43101.5 Ų101.526%0.26155%0.552SS.*Hα-helixtrans-67.3-37.1177.91800000110.4S95 E96 E101 I102S95-V98 PolarHBondContact O-N 2.94Å; S95-V98 VanDerWaalsContact O-N 3.09Å; E96-V98 PolarHBondContact O-N 3.24Å; V98-E101 PolarHBondContact O-N 3.02Å; V98-I102 HydrophobicContact CG1-CD1 3.88Å; V98-I102 HydrophobicContact CG1-CG1 4.5Å; V98-I102 WeakPolarHBondContact O-CB 3.35Å; V98-I102 WeakPolarHBondContact O-CD1 3.44Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 2.89Å
99R84.3Confident75.5Confident130 Ų13099.6 Ų99.649%0.49152%0.52SS..Hα-helixtrans-65.3-40.8175.1-62.7-169.8-126.1-119.96.7111.3D94 S95 E96 E97 A103D94-R99 VanDerWaalsContact CB-NH2 3.32Å; D94-R99 PolarHBondContact O-NH2 2.85Å; D94-R99 IonicContact OD1-CZ 4Å; D94-R99 IonicContact OD1-NH1 3.44Å; D94-R99 PolarHBondContact OD1-NH1 3.37Å; D94-R99 IonicContact OD2-CZ 3.27Å; D94-R99 VanDerWaalsContact OD2-CZ 3.27Å; D94-R99 IonicContact OD2-NH1 2.85Å; D94-R99 PolarHBondContact OD2-NH1 3.48Å; D94-R99 IonicContact OD2-NH2 2.83Å; D94-R99 PolarHBondContact OD2-NH2 3.44Å; S95-R99 PolarHBondContact O-N 3.31Å; E96-R99 WeakPolarHBondContact O-CB 3.26Å; E96-R99 PolarHBondContact O-N 3.31Å; E96-R99 VanDerWaalsContact O-N 3.12Å; E97-R99 VanDerWaalsContact C-N 3.33Å; E97-R99 PolarHBondContact O-N 3.39Å; R99-A103 WeakPolarHBondContact O-CB 3.28Å; R99-A103 PolarHBondContact O-N 2.86Å
100E89.8Confident77.7Confident126 Ų12696.2 Ų96.259%0.58951%0.514SS*.Hα-helixtrans-65.7-43.5176.2-71.2-171169.300112.4E96 E97 I102 A103 V104E96-E100 WeakPolarHBondContact O-CG 3.34Å; E96-E100 PolarHBondContact O-N 3.32Å; E97-E100 PolarHBondContact O-N 3.47Å; E100-I102 PolarHBondContact O-N 3.03Å; E100-A103 PolarHBondContact O-N 3.01Å; E100-V104 VanDerWaalsContact O-CG2 3.31Å; E100-V104 WeakPolarHBondContact O-CG2 3.46Å; E100-V104 PolarHBondContact O-N 3.19Å
101E86.3Confident80.1Confident133 Ų13394.6 Ų94.662%0.62150%0.496SS*.Hα-helixtrans-60.9-45.5176-74.8-171.2171.600112.1E97 V98 A103 V104 A105E97-E101 WeakPolarHBondContact O-CG 3.45Å; E97-E101 PolarHBondContact O-N 2.92Å; V98-E101 PolarHBondContact O-N 3.02Å; E101-A103 VanDerWaalsContact C-N 3.34Å; E101-A103 PolarHBondContact O-N 3.22Å; E101-V104 PolarHBondContact O-N 3.34Å; E101-A105 WeakPolarHBondContact O-CB 3.48Å; E101-A105 PolarHBondContact O-N 3.04Å
102I84.5Confident82.2Confident79 Ų7998 Ų9841%0.40550%0.5SS..Hα-helixtrans-60.8-44.5174.9-68.1166.5000110.1V98 E100 V104 A105 L106V98-I102 HydrophobicContact CG1-CD1 3.88Å; V98-I102 HydrophobicContact CG1-CG1 4.5Å; V98-I102 WeakPolarHBondContact O-CB 3.35Å; V98-I102 WeakPolarHBondContact O-CD1 3.44Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 2.89Å; E100-I102 PolarHBondContact O-N 3.03Å; I102-V104 VanDerWaalsContact C-N 3.34Å; I102-V104 PolarHBondContact O-N 3.42Å; I102-A105 PolarHBondContact O-N 3.05Å; I102-L106 HydrophobicContact CG2-CD1 4.03Å; I102-L106 HydrophobicContact CG2-CG 4.33Å; I102-L106 WeakPolarHBondContact O-CG 3.33Å; I102-L106 PolarHBondContact O-N 2.78Å
103A90.2Very high84.2Confident55 Ų5597.2 Ų97.246%0.45549%0.485SS..Hα-helixtrans-62.3-40.3177.800000112.1R99 E100 E101 K107R99-A103 WeakPolarHBondContact O-CB 3.28Å; R99-A103 PolarHBondContact O-N 2.86Å; E100-A103 PolarHBondContact O-N 3.01Å; E101-A103 VanDerWaalsContact C-N 3.34Å; E101-A103 PolarHBondContact O-N 3.22Å; A103-K107 VanDerWaalsContact O-CB 3.28Å; A103-K107 WeakPolarHBondContact O-CB 3.21Å; A103-K107 PolarHBondContact O-N 2.86Å
104V91.3Very high86.1Confident73 Ų7393.5 Ų93.544%0.44247%0.47SS..Hα-helixtrans-65.2-41.5174.9170.90000111.1E100 E101 I102 K107 K108E100-V104 VanDerWaalsContact O-CG2 3.31Å; E100-V104 WeakPolarHBondContact O-CG2 3.46Å; E100-V104 PolarHBondContact O-N 3.19Å; E101-V104 PolarHBondContact O-N 3.34Å; I102-V104 VanDerWaalsContact C-N 3.34Å; I102-V104 PolarHBondContact O-N 3.42Å; V104-K107 PolarHBondContact O-N 3.39Å; V104-K108 HydrophobicContact CG1-CD 4.29Å; V104-K108 WeakPolarHBondContact O-CG 3.37Å; V104-K108 PolarHBondContact O-N 3.04Å
105A87.2Confident88Confident29 Ų2995.2 Ų95.224%0.2447%0.47CS..Hα-helixtrans-61.9-50.9176.200000111.4E101 I102 K107 K108 D109E101-A105 WeakPolarHBondContact O-CB 3.48Å; E101-A105 PolarHBondContact O-N 3.04Å; I102-A105 PolarHBondContact O-N 3.05Å; A105-K107 VanDerWaalsContact C-N 3.29Å; A105-K107 PolarHBondContact O-N 3.46Å; A105-K108 WeakPolarHBondContact O-CB 3.47Å; A105-K108 PolarHBondContact O-N 3.28Å; A105-D109 PolarHBondContact O-N 3.25Å
106L90.6Very high88.8Confident89 Ų8995.9 Ų95.947%0.46647%0.466SS..Hα-helixtrans-58.7-39.7175.9-68.7176.2000111.9M75 I102 D109 S110M75-L106 HydrophobicContact CE-CD2 4.08Å; I102-L106 HydrophobicContact CG2-CD1 4.03Å; I102-L106 HydrophobicContact CG2-CG 4.33Å; I102-L106 WeakPolarHBondContact O-CG 3.33Å; I102-L106 PolarHBondContact O-N 2.78Å; L106-D109 PolarHBondContact O-N 3.3Å; L106-S110 WeakPolarHBondContact O-CB 3.23Å; L106-S110 PolarHBondContact O-N 3.15Å
107K92.9Very high89.4Confident135 Ų13593.8 Ų93.859%0.58746%0.459SS*.Hα-helixtrans-67.5-34.4175.9-166175.3-177.31710112.2A103 V104 A105 R111A103-K107 VanDerWaalsContact O-CB 3.28Å; A103-K107 WeakPolarHBondContact O-CB 3.21Å; A103-K107 PolarHBondContact O-N 2.86Å; V104-K107 PolarHBondContact O-N 3.39Å; A105-K107 VanDerWaalsContact C-N 3.29Å; A105-K107 PolarHBondContact O-N 3.46Å; K107-R111 VanDerWaalsContact O-CG 3.26Å; K107-R111 WeakPolarHBondContact O-CG 3.48Å; K107-R111 PolarHBondContact O-N 3.49Å; K107-R111 PolarHBondContact O-NE 2.92Å
108K91.2Very high90Very high126 Ų12694.5 Ų94.555%0.54846%0.46SS..Hα-helixtrans-69.7-40174.4-77.6174.7-178.4171.70111.2V104 A105 R111 R112V104-K108 HydrophobicContact CG1-CD 4.29Å; V104-K108 WeakPolarHBondContact O-CG 3.37Å; V104-K108 PolarHBondContact O-N 3.04Å; A105-K108 WeakPolarHBondContact O-CB 3.47Å; A105-K108 PolarHBondContact O-N 3.28Å; K108-R111 PolarHBondContact O-N 3.47Å; K108-R112 PolarHBondContact O-N 3.15Å
109D85.2Confident90.6Very high54 Ų54100.5 Ų100.529%0.28948%0.478SS..Hα-helixtrans-71.7-42.1178.8-77-14.1000112.4A105 L106 R111 R112 E113A105-D109 PolarHBondContact O-N 3.25Å; L106-D109 PolarHBondContact O-N 3.3Å; D109-R111 VanDerWaalsContact C-N 3.28Å; D109-R111 PolarHBondContact O-N 3.3Å; D109-R112 CarbonylContact O-C 3.51Å; D109-R112 WeakPolarHBondContact O-CA 3.33Å; D109-R112 WeakPolarHBondContact O-CB 3.33Å; D109-R112 PolarHBondContact O-N 3.5Å; D109-E113 PolarHBondContact O-N 3.45Å
110S90.2Very high90.9Very high87 Ų8798 Ų9861%0.60847%0.472SS*.Hα-helixtrans-55.9-42.6170.9178.40000111.8L106 R112 E113 G114L106-S110 WeakPolarHBondContact O-CB 3.23Å; L106-S110 PolarHBondContact O-N 3.15Å; S110-R112 VanDerWaalsContact C-N 3.34Å; S110-R112 PolarHBondContact O-N 2.93Å; S110-E113 PolarHBondContact O-N 3.43Å; S110-G114 PolarHBondContact O-N 3.48Å
111R92.4Very high91Very high135 Ų13594 Ų9451%0.50946%0.46SS..Hα-helixtrans-63.8-36.9173.5-73.1-179.7-122.2-178.3-1.1112.6K107 K108 D109 R115K107-R111 VanDerWaalsContact O-CG 3.26Å; K107-R111 WeakPolarHBondContact O-CG 3.48Å; K107-R111 PolarHBondContact O-N 3.49Å; K107-R111 PolarHBondContact O-NE 2.92Å; K108-R111 PolarHBondContact O-N 3.47Å; D109-R111 VanDerWaalsContact C-N 3.28Å; D109-R111 PolarHBondContact O-N 3.3Å; R111-R115 WeakPolarHBondContact O-CG 3.36Å; R111-R115 PolarHBondContact O-N 3.35Å; R111-R115 VanDerWaalsContact O-N 3.14Å; R111-R115 PolarHBondContact O-NH1 3.29Å
112R90Very high91.2Very high152 Ų15290.3 Ų90.357%0.57445%0.453SS*.Hα-helixtrans-67.8-47.1178.2-172.5-176.6-62.9-170.91.3110.9K108 D109 S110 R115 R116K108-R112 PolarHBondContact O-N 3.15Å; D109-R112 CarbonylContact O-C 3.51Å; D109-R112 WeakPolarHBondContact O-CA 3.33Å; D109-R112 WeakPolarHBondContact O-CB 3.33Å; D109-R112 PolarHBondContact O-N 3.5Å; S110-R112 VanDerWaalsContact C-N 3.34Å; S110-R112 PolarHBondContact O-N 2.93Å; R112-R115 PolarHBondContact O-N 3.04Å; R112-R116 PolarHBondContact O-N 2.96Å
113E89.9Confident91.5Very high51 Ų5194.6 Ų94.624%0.23847%0.469CS..Hα-helixtrans-65.3-40.1175.7-76.1-52114.200112N68 D109 S110 R115 R116 L117N68-E113 PolarHBondContact ND2-OE1 3.46Å; N68-E113 PolarHBondContact ND2-OE2 3.43Å; D109-E113 PolarHBondContact O-N 3.45Å; S110-E113 PolarHBondContact O-N 3.43Å; E113-R115 VanDerWaalsContact C-N 3.33Å; E113-R115 PolarHBondContact O-N 2.83Å; E113-R116 CarbonylContact O-C 3.56Å; E113-R116 WeakPolarHBondContact O-CB 3.35Å; E113-R116 PolarHBondContact O-N 2.83Å; E113-R116 IonicContact OE1-NH1 3.69Å; E113-R116 IonicContact OE2-NH1 3.04Å; E113-R116 PolarHBondContact OE2-NH1 2.77Å; E113-L117 WeakPolarHBondContact O-CB 3.43Å; E113-L117 WeakPolarHBondContact O-CG 3.36Å; E113-L117 PolarHBondContact O-N 3.32Å
114G94.8Very high91.4Very high39 Ų3997 Ų9740%0.40247%0.468SS..Hα-helixtrans-55.9-45.4172.500000112.5S110 R116 L117 K118S110-G114 PolarHBondContact O-N 3.48Å; G114-R116 VanDerWaalsContact C-N 3.34Å; G114-R116 PolarHBondContact O-N 2.64Å; G114-L117 PolarHBondContact O-N 3.29Å; G114-K118 WeakPolarHBondContact O-CB 3.47Å; G114-K118 PolarHBondContact O-N 3.41Å
115R94.4Very high91.3Very high126 Ų12698.4 Ų98.448%0.47547%0.474SS..Hα-helixtrans-62.9-40.2174.7-72.9-171.7-62.1-86.64.6112.1R111 R112 E113 K118 R119R111-R115 WeakPolarHBondContact O-CG 3.36Å; R111-R115 PolarHBondContact O-N 3.35Å; R111-R115 VanDerWaalsContact O-N 3.14Å; R111-R115 PolarHBondContact O-NH1 3.29Å; R112-R115 PolarHBondContact O-N 3.04Å; E113-R115 VanDerWaalsContact C-N 3.33Å; E113-R115 PolarHBondContact O-N 2.83Å; R115-K118 PolarHBondContact O-N 2.95Å; R115-R119 WeakPolarHBondContact O-CG 3.38Å; R115-R119 PolarHBondContact O-N 3.11Å
116R93.8Very high91.4Very high55 Ų55100.8 Ų100.821%0.20849%0.493CS..Hα-helixtrans-65.1-48.7178.9-177.7-177.1174-144.90.4111.5Y66 R112 E113 G114 K118 R119 Q120Y66-R116 VanDerWaalsContact CD1-CZ 3.41Å; R112-R116 PolarHBondContact O-N 2.96Å; E113-R116 CarbonylContact O-C 3.56Å; E113-R116 WeakPolarHBondContact O-CB 3.35Å; E113-R116 PolarHBondContact O-N 2.83Å; E113-R116 IonicContact OE1-NH1 3.69Å; E113-R116 IonicContact OE2-NH1 3.04Å; E113-R116 PolarHBondContact OE2-NH1 2.77Å; G114-R116 VanDerWaalsContact C-N 3.34Å; G114-R116 PolarHBondContact O-N 2.64Å; R116-K118 VanDerWaalsContact C-N 3.32Å; R116-K118 PolarHBondContact O-N 3.17Å; R116-R119 PolarHBondContact O-N 3.23Å; R116-Q120 WeakPolarHBondContact O-CG 3.35Å; R116-Q120 PolarHBondContact O-N 3.22Å
117L95Very high91.3Very high103 Ų103100.5 Ų100.554%0.53949%0.491SS..Hα-helixtrans-59.9-42.6175.3-69.9175.6000111.2E113 G114 R119 Q120 A121E113-L117 WeakPolarHBondContact O-CB 3.43Å; E113-L117 WeakPolarHBondContact O-CG 3.36Å; E113-L117 PolarHBondContact O-N 3.32Å; G114-L117 PolarHBondContact O-N 3.29Å; L117-R119 VanDerWaalsContact C-N 3.35Å; L117-R119 PolarHBondContact O-N 2.73Å; L117-Q120 PolarHBondContact O-N 2.87Å; L117-Q120 VanDerWaalsContact O-N 3.17Å; L117-A121 WeakPolarHBondContact O-CB 3.11Å; L117-A121 PolarHBondContact O-N 3.34Å
118K94.9Very high91Very high165 Ų16595.3 Ų95.372%0.71747%0.47SS*.Hα-helixtrans-59.5-42.6174.6-170.9173-176.5174.40112.3G114 R115 R116 A121 A122G114-K118 WeakPolarHBondContact O-CB 3.47Å; G114-K118 PolarHBondContact O-N 3.41Å; R115-K118 PolarHBondContact O-N 2.95Å; R116-K118 VanDerWaalsContact C-N 3.32Å; R116-K118 PolarHBondContact O-N 3.17Å; K118-A121 PolarHBondContact O-N 3.27Å; K118-A122 VanDerWaalsContact O-CB 3.26Å; K118-A122 WeakPolarHBondContact O-CB 3.4Å; K118-A122 PolarHBondContact O-N 3.27Å
119R93.6Very high90.8Very high168 Ų16889.3 Ų89.363%0.63444%0.444SS*.Hα-helixtrans-65.2-40.8174.7-70.3178.5-162.6133-4112.1R115 R116 L117 A122 K123R115-R119 WeakPolarHBondContact O-CG 3.38Å; R115-R119 PolarHBondContact O-N 3.11Å; R116-R119 PolarHBondContact O-N 3.23Å; L117-R119 VanDerWaalsContact C-N 3.35Å; L117-R119 PolarHBondContact O-N 2.73Å; R119-A122 PolarHBondContact O-N 2.8Å; R119-K123 WeakPolarHBondContact O-CB 3.26Å; R119-K123 PolarHBondContact O-N 3.35Å
120Q91.5Very high90.7Very high77 Ų7793.8 Ų93.836%0.3646%0.461SS..Hα-helixtrans-64.6-44.6176.7-69.8-176.136.500111.6R116 L117 K123 K124R116-Q120 WeakPolarHBondContact O-CG 3.35Å; R116-Q120 PolarHBondContact O-N 3.22Å; L117-Q120 PolarHBondContact O-N 2.87Å; L117-Q120 VanDerWaalsContact O-N 3.17Å; Q120-K123 PolarHBondContact O-N 3.23Å; Q120-K124 WeakPolarHBondContact O-CG 3.32Å; Q120-K124 PolarHBondContact O-N 2.75Å
121A91.3Very high90.2Very high42 Ų4291.7 Ų91.735%0.34744%0.442SS..Hα-helixtrans-62.6-46.6175.800000111L117 K118 K123 K124 N125L117-A121 WeakPolarHBondContact O-CB 3.11Å; L117-A121 PolarHBondContact O-N 3.34Å; K118-A121 PolarHBondContact O-N 3.27Å; A121-K123 VanDerWaalsContact C-N 3.32Å; A121-K123 PolarHBondContact O-N 3.34Å; A121-K124 PolarHBondContact O-N 3.25Å; A121-N125 VanDerWaalsContact O-CB 3.32Å; A121-N125 WeakPolarHBondContact O-CB 3.5Å; A121-N125 PolarHBondContact O-N 3.32Å; A121-N125 PolarHBondContact O-OD1 2.76Å
122A90.9Very high89.9Confident56 Ų5687 Ų8746%0.46343%0.43SS..Hα-helixtrans-58.7-42.2175.500000112K118 R119 N125 A126K118-A122 VanDerWaalsContact O-CB 3.26Å; K118-A122 WeakPolarHBondContact O-CB 3.4Å; K118-A122 PolarHBondContact O-N 3.27Å; R119-A122 PolarHBondContact O-N 2.8Å; A122-N125 PolarHBondContact O-N 3.12Å; A122-A126 WeakPolarHBondContact O-CB 3.24Å; A122-A126 PolarHBondContact O-N 3.16Å
123K90.6Very high89.6Confident170 Ų17082.5 Ų82.574%0.73941%0.412SS*.Hα-helixtrans-64.9-41.4176.1-174.3176-178.1175.30112.5R119 Q120 A121 M127R119-K123 WeakPolarHBondContact O-CB 3.26Å; R119-K123 PolarHBondContact O-N 3.35Å; Q120-K123 PolarHBondContact O-N 3.23Å; A121-K123 VanDerWaalsContact C-N 3.32Å; A121-K123 PolarHBondContact O-N 3.34Å; K123-M127 PolarHBondContact O-N 2.85Å
124K88.6Confident89.5Confident104 Ų10486.7 Ų86.745%0.45243%0.43SS..Hα-helixtrans-67.2-44.1176.4-71.7178.9-174.8175.10111.2Q120 A121 A126 M127 G136Q120-K124 WeakPolarHBondContact O-CG 3.32Å; Q120-K124 PolarHBondContact O-N 2.75Å; A121-K124 PolarHBondContact O-N 3.25Å; K124-A126 VanDerWaalsContact C-N 3.35Å; K124-M127 WeakPolarHBondContact O-CB 3.26Å; K124-M127 PolarHBondContact O-N 3.47Å; K124-M127 VanDerWaalsContact O-N 3.17Å; K124-G136 VanDerWaalsContact O-CA 3.23Å; K124-G136 WeakPolarHBondContact O-CA 3.49Å; K124-G136 PolarHBondContact O-N 3Å
125N89.2Confident89.2Confident103 Ų10388.8 Ų88.855%0.55144%0.436SS*.Hα-helixtrans-70.1-31.6-179.8-66.3-4.5000112.1A121 A122 M127 P135A121-N125 VanDerWaalsContact O-CB 3.32Å; A121-N125 WeakPolarHBondContact O-CB 3.5Å; A121-N125 PolarHBondContact O-N 3.32Å; A121-N125 PolarHBondContact O-OD1 2.76Å; A122-N125 PolarHBondContact O-N 3.12Å; N125-M127 PolarHBondContact O-N 3.44Å; N125-P135 WeakPolarHBondContact O-CB 3.39Å
126A88.5Confident89Confident79 Ų7984.3 Ų84.365%0.65343%0.43SS*.Hα-helixtrans-71-19.9173.300000113A122 K124 V128A122-A126 WeakPolarHBondContact O-CB 3.24Å; A122-A126 PolarHBondContact O-N 3.16Å; K124-A126 VanDerWaalsContact C-N 3.35Å; A126-V128 PolarHBondContact O-N 2.86Å
127M87.5Confident88.8Confident84 Ų8483.1 Ų83.141%0.41443%0.426SS..  trans-77.8115.9174.2-178.2171.568.700109.1K123 K124 N125 P135 G136K123-M127 PolarHBondContact O-N 2.85Å; K124-M127 WeakPolarHBondContact O-CB 3.26Å; K124-M127 PolarHBondContact O-N 3.47Å; K124-M127 VanDerWaalsContact O-N 3.17Å; N125-M127 PolarHBondContact O-N 3.44Å; M127-P135 CarbonylContact O-C 3.54Å; M127-P135 WeakPolarHBondContact O-CA 3.4Å; M127-G136 PolarHBondContact O-N 3.41Å
128V87.9Confident88.4Confident25 Ų2579 Ų7915%0.15241%0.409CS..BIsolated β-bridgetrans-106.5135.91801780000109.7A126 R133 P135 H137 A207A126-V128 PolarHBondContact O-N 2.86Å; V128-R133 HydrophobicContact CG1-CB 4.43Å; V128-R133 WeakPolarHBondContact CG1-O 3.49Å; V128-P135 HydrophobicContact CG2-CB 4.41Å; V128-H137 CarbonylContact C-O 3.51Å; V128-A207 HydrophobicContact CB-CB 4.28Å; V128-A207 HydrophobicContact CG1-CB 4.33Å; V128-A207 HydrophobicContact CG2-CB 4.2Å
129C87.4Confident87.8Confident0 Ų073.2 Ų73.20%039%0.385CS..  trans-75.6125.9176.4176.90000110.7H131 R133 K134 H137 C142C129-H131 VanDerWaalsContact C-N 3.26Å; C129-H131 PolarHBondContact O-N 2.93Å; C129-R133 WeakPolarHBondContact O-CA 3.36Å; C129-R133 PolarHBondContact O-N 2.8Å; C129-K134 PolarHBondContact N-O 3.19Å; C129-H137 WeakPolarHBondContact CA-O 3.41Å; C129-H137 VanDerWaalsContact CB-CD2 3.49Å; C129-H137 WeakPolarHBondContact CB-CD2 3.17Å; C129-H137 WeakPolarHBondContact CB-NE2 3.26Å; C129-H137 WeakPolarHBondContact CB-O 3.41Å; C129-H137 PolarHBondContact N-O 3.36Å; C129-H137 VanDerWaalsContact N-O 3.15Å; C129-C142 VanDerWaalsContact SG-CB 3.6Å; C129-C142 PolarHBondContact SG-SG 3.34Å
130F81.9Confident87.3Confident148 Ų14870 Ų7065%0.64939%0.394SS*.THydrogen-bonded Turntrans-69.2-21.3-179.1-64.7-74.4000114.4I139F130-I139 HydrophobicContact CB-CD1 3.96Å; F130-I139 HydrophobicContact CB-CG1 3.96Å; F130-I139 HydrophobicContact CD2-CD1 3.65Å; F130-I139 HydrophobicContact CD2-CG1 4.01Å; F130-I139 HydrophobicContact CG-CD1 4.25Å; F130-I139 HydrophobicContact CG-CG1 4.49Å
131H81.1Confident87.1Confident44 Ų4471.9 Ų71.920%0.20441%0.407CS..THydrogen-bonded Turntrans-79.1-56.4178-177.665.9000111.9C129C129-H131 VanDerWaalsContact C-N 3.26Å; C129-H131 PolarHBondContact O-N 2.93Å
132C84.6Confident86.8Confident37 Ų3770 Ų7025%0.2539%0.391CS..THydrogen-bonded Turntrans-99.2-5.1-176.671.10000114.7K134 H137 A144C132-K134 PolarHBondContact O-N 2.85Å; C132-H137 PolarHBondContact SG-CE1 3.49Å; C132-H137 PolarHBondContact SG-NE2 3.48Å; C132-A144 HydrophobicContact CB-CB 4.45Å
133R83.8Confident86.5Confident57 Ų5771.7 Ų71.722%0.21540%0.397CS..  trans54.717.8-176-61-173-178.9-138.56115.4V128 C129 G204 Y206V128-R133 HydrophobicContact CG1-CB 4.43Å; V128-R133 WeakPolarHBondContact CG1-O 3.49Å; C129-R133 WeakPolarHBondContact O-CA 3.36Å; C129-R133 PolarHBondContact O-N 2.8Å; R133-G204 PolarHBondContact NH1-O 3.29Å; R133-G204 PolarHBondContact NH2-O 3.43Å; R133-G204 VanDerWaalsContact NH2-O 3.1Å; R133-Y206 PolarHBondContact NH1-O 3.16Å
134K87.5Confident85.9Confident139 Ų13965.1 Ų65.160%0.60438%0.375SS*.  trans-86.1139.1173.9-62.8-179.5-178178.20110.5C129 C132C129-K134 PolarHBondContact N-O 3.19Å; C132-K134 PolarHBondContact O-N 2.85Å
135P89.8Confident85.1Confident82 Ų8261.2 Ų61.253%0.53236%0.362SS..BIsolated β-bridgetrans-69.2161.4174.327.8-33.4000112N125 M127 V128N125-P135 WeakPolarHBondContact O-CB 3.39Å; M127-P135 CarbonylContact O-C 3.54Å; M127-P135 WeakPolarHBondContact O-CA 3.4Å; V128-P135 HydrophobicContact CG2-CB 4.41Å
136G89.8Confident84Confident33 Ų3363.1 Ų63.134%0.3437%0.371SS..THydrogen-bonded Turntrans103.9-19.1170.900000115.4K124 M127K124-G136 VanDerWaalsContact O-CA 3.23Å; K124-G136 WeakPolarHBondContact O-CA 3.49Å; K124-G136 PolarHBondContact O-N 3Å; M127-G136 PolarHBondContact O-N 3.41Å
137H90Very high83Confident29 Ų2967.3 Ų67.313%0.13438%0.378CS..  trans-144.9158.7-17668.2-84.2000112.3V128 C129 C132 D141 C142V128-H137 CarbonylContact C-O 3.51Å; C129-H137 WeakPolarHBondContact CA-O 3.41Å; C129-H137 VanDerWaalsContact CB-CD2 3.49Å; C129-H137 WeakPolarHBondContact CB-CD2 3.17Å; C129-H137 WeakPolarHBondContact CB-NE2 3.26Å; C129-H137 WeakPolarHBondContact CB-O 3.41Å; C129-H137 PolarHBondContact N-O 3.36Å; C129-H137 VanDerWaalsContact N-O 3.15Å; C132-H137 PolarHBondContact SG-CE1 3.49Å; C132-H137 PolarHBondContact SG-NE2 3.48Å; H137-D141 HydrophobicContact CB-CB 4.24Å; H137-C142 WeakPolarHBondContact CD2-CA 3.4Å
138G86.5Confident81.9Confident17 Ų1767 Ų6718%0.17538%0.377CS..  trans-97.9176.8174.600000111.9A140 D141 C142G138-A140 PolarHBondContact O-N 3.46Å; G138-D141 CarbonylContact O-C 3.58Å; G138-D141 PolarHBondContact O-N 3.47Å; G138-D141 VanDerWaalsContact O-N 3.1Å; G138-C142 PolarHBondContact O-N 3.17Å
139I82.5Confident80.6Confident44 Ų4474 Ų7423%0.22641%0.409CS..G310 helixtrans-53.5-41.5-179.4-61.8158.9000111.9F130 D141 C142 T153F130-I139 HydrophobicContact CB-CD1 3.96Å; F130-I139 HydrophobicContact CB-CG1 3.96Å; F130-I139 HydrophobicContact CD2-CD1 3.65Å; F130-I139 HydrophobicContact CD2-CG1 4.01Å; F130-I139 HydrophobicContact CG-CD1 4.25Å; F130-I139 HydrophobicContact CG-CG1 4.49Å; I139-D141 VanDerWaalsContact C-N 3.32Å; I139-D141 PolarHBondContact O-N 2.8Å; I139-C142 WeakPolarHBondContact O-CB 3.33Å; I139-C142 PolarHBondContact O-N 3.06Å; I139-T153 HydrophobicContact CG2-CG2 3.77Å
140A83.2Confident79.5Confident99 Ų9980.2 Ų80.282%0.81844%0.442SS*.G310 helixtrans-68-27.6-177.700000114.3G138G138-A140 PolarHBondContact O-N 3.46Å
141D85.9Confident78.7Confident117 Ų11775 Ų7563%0.62642%0.42SS*.G310 helixtrans-104.119.2179.7-61.4-45.4000110.8H137 G138 I139 P143H137-D141 HydrophobicContact CB-CB 4.24Å; G138-D141 CarbonylContact O-C 3.58Å; G138-D141 PolarHBondContact O-N 3.47Å; G138-D141 VanDerWaalsContact O-N 3.1Å; I139-D141 VanDerWaalsContact C-N 3.32Å; I139-D141 PolarHBondContact O-N 2.8Å; D141-P143 WeakPolarHBondContact O-CD 3.2Å
142C85.8Confident77.8Confident3 Ų374 Ų742%0.0242%0.422CS..  trans-77.3118.6-176.6-173.70000110.9C129 H137 G138 I139 A144 A145C129-C142 VanDerWaalsContact SG-CB 3.6Å; C129-C142 PolarHBondContact SG-SG 3.34Å; H137-C142 WeakPolarHBondContact CD2-CA 3.4Å; G138-C142 PolarHBondContact O-N 3.17Å; I139-C142 WeakPolarHBondContact O-CB 3.33Å; I139-C142 PolarHBondContact O-N 3.06Å; C142-A144 PolarHBondContact O-N 2.81Å; C142-A145 HydrophobicContact CB-CB 3.76Å; C142-A145 PolarHBondContact O-N 2.91Å; C142-A145 VanDerWaalsContact O-N 3.1Å
143P84.1Confident77.1Confident91 Ų9176.3 Ų76.359%0.59144%0.435SS*.G310 helixtrans-63.4-33.1179.225.7-33000111.8D141 A145 L146D141-P143 WeakPolarHBondContact O-CD 3.2Å; P143-A145 VanDerWaalsContact C-N 3.31Å; P143-A145 PolarHBondContact O-N 2.93Å; P143-L146 PolarHBondContact O-N 3.27Å
144A79Confident76.8Confident33 Ų3376 Ų7627%0.27345%0.45SS..G310 helixtrans-74-19.4177.600000113.8C132 C142 L146 N148C132-A144 HydrophobicContact CB-CB 4.45Å; C142-A144 PolarHBondContact O-N 2.81Å; A144-L146 VanDerWaalsContact C-N 3.34Å; A144-N148 PolarHBondContact O-ND2 2.78Å
145A71.1Confident76.8Confident22 Ų2271.5 Ų71.518%0.18243%0.432CS..G310 helixtrans-77.2-21.8177.900000112.5C142 P143 E147 N148C142-A145 HydrophobicContact CB-CB 3.76Å; C142-A145 PolarHBondContact O-N 2.91Å; C142-A145 VanDerWaalsContact O-N 3.1Å; P143-A145 VanDerWaalsContact C-N 3.31Å; P143-A145 PolarHBondContact O-N 2.93Å; A145-E147 PolarHBondContact O-N 3.04Å; A145-N148 CarbonylContact O-C 3.6Å; A145-N148 PolarHBondContact O-N 3.02Å
146L67.2Low76.8Confident142 Ų14267.6 Ų67.674%0.74341%0.407SS*.THydrogen-bonded Turntrans-67.1-25.2174.8-76.7159.5000112.5P143 A144P143-L146 PolarHBondContact O-N 3.27Å; A144-L146 VanDerWaalsContact C-N 3.34Å
147E66.3Low76.8Confident168 Ų16868.6 Ų68.679%0.78540%0.401SS*.THydrogen-bonded Turntrans-86.1-24.3-178.6-158.4166.3-161.500112.3A145A145-E147 PolarHBondContact O-N 3.04Å
148N65.7Low76.8Confident76 Ų7671 Ų7141%0.40641%0.409SS..  trans-115.978.2-179.5-65.1-78.6000110.2A144 A145 D150 M151A144-N148 PolarHBondContact O-ND2 2.78Å; A145-N148 CarbonylContact O-C 3.6Å; A145-N148 PolarHBondContact O-N 3.02Å; N148-D150 PolarHBondContact O-N 2.92Å; N148-M151 HydrophobicContact CB-CE 4.28Å; N148-M151 HydrophobicContact CB-CG 4.18Å
149Q60.3Low76.9Confident173 Ų17372 Ų7281%0.80841%0.413SS*.THydrogen-bonded Turntrans-60.6-14.8-176.4-67.5177.118.600113.9M151Q149-M151 VanDerWaalsContact C-N 3.34Å; Q149-M151 PolarHBondContact O-N 3.07Å
150D63.7Low77.1Confident131 Ų13171.2 Ų71.270%0.70142%0.415SS*.THydrogen-bonded Turntrans-89.917.5-172.4-60.1-31.2000115N148 K184N148-D150 PolarHBondContact O-N 2.92Å; D150-K184 PolarHBondContact O-NZ 3.38Å; D150-K184 VanDerWaalsContact O-NZ 3.14Å
151M64.1Low77.4Confident37 Ų3768.1 Ų68.118%0.18239%0.387CS..SBendtrans-93.610.8-174.5-64.9-60.7178.200114.5N148 Q149 T153 K184N148-M151 HydrophobicContact CB-CE 4.28Å; N148-M151 HydrophobicContact CB-CG 4.18Å; Q149-M151 VanDerWaalsContact C-N 3.34Å; Q149-M151 PolarHBondContact O-N 3.07Å; M151-T153 PolarHBondContact O-N 3.01Å; M151-T153 VanDerWaalsContact O-N 3.13Å; M151-K184 HydrophobicContact SD-CD 3.79Å
152G63.1Low77.5Confident25 Ų2567.7 Ų67.726%0.25839%0.389SS..  trans57.433.2172.100000113.2G154 I155G152-G154 PolarHBondContact O-N 3.43Å; G152-G154 VanDerWaalsContact O-N 3.16Å; G152-I155 WeakPolarHBondContact O-CG1 3.46Å; G152-I155 PolarHBondContact O-N 2.89Å
153T69.3Low77.7Confident84 Ų8476.1 Ų76.152%0.51543%0.428SS..THydrogen-bonded Turntrans-68.5116.1177.240.60000109.6I139 M151I139-T153 HydrophobicContact CG2-CG2 3.77Å; M151-T153 PolarHBondContact O-N 3.01Å; M151-T153 VanDerWaalsContact O-N 3.13Å
154G78.3Confident78Confident52 Ų5274.2 Ų74.254%0.53641%0.411SS..THydrogen-bonded Turntrans976.2179.100000115G152 T162G152-G154 PolarHBondContact O-N 3.43Å; G152-G154 VanDerWaalsContact O-N 3.16Å; G154-T162 WeakPolarHBondContact O-CA 3.32Å
155I87.8Confident78.5Confident44 Ų4479.1 Ų79.123%0.22643%0.428CS..SBendtrans-87.1148165.554.9154000111.3G152 Y157 T162 F182G152-I155 WeakPolarHBondContact O-CG1 3.46Å; G152-I155 PolarHBondContact O-N 2.89Å; I155-Y157 HydrophobicContact CG1-CD1 4.4Å; I155-Y157 HydrophobicContact CG1-CE1 4.37Å; I155-Y157 PolarHBondContact O-N 3.44Å; I155-T162 HydrophobicContact CG2-CG2 3.58Å; I155-F182 HydrophobicContact CD1-CB 4.22Å; I155-F182 WeakPolarHBondContact CD1-O 2.98Å
156C89.9Confident79.2Confident0 Ų080.4 Ų80.40%043%0.432CS..  trans-69.4116.9167-178.20000109.1R158 C159 G160 S161 H164 C169C156-R158 PolarHBondContact O-N 3.42Å; C156-R158 VanDerWaalsContact O-N 3.1Å; C156-C159 PolarHBondContact O-N 3.1Å; C156-G160 VanDerWaalsContact O-CA 3.29Å; C156-G160 WeakPolarHBondContact O-CA 3.45Å; C156-G160 PolarHBondContact O-N 3.48Å; C156-S161 VanDerWaalsContact CB-O 3.3Å; C156-S161 WeakPolarHBondContact CB-O 3.03Å; C156-S161 PolarHBondContact N-O 3.34Å; C156-H164 WeakPolarHBondContact CB-O 3.33Å; C156-H164 PolarHBondContact SG-NE2 3.36Å; C156-C169 VanDerWaalsContact SG-CB 3.57Å
157Y89Confident80.3Confident54 Ų5478.9 Ų78.921%0.21243%0.429CS..THydrogen-bonded Turntrans-67-13.1-178.4-53.9-51.2000114.7I155 I166 F180 F182 A183 L194I155-Y157 HydrophobicContact CG1-CD1 4.4Å; I155-Y157 HydrophobicContact CG1-CE1 4.37Å; I155-Y157 PolarHBondContact O-N 3.44Å; Y157-I166 HydrophobicContact CD2-CD1 4.11Å; Y157-I166 HydrophobicContact CG-CD1 4.5Å; Y157-F180 CarbonylContact O-C 3.5Å; Y157-F182 PolarHBondContact O-N 3.06Å; Y157-A183 HydrophobicContact CD1-CB 4.21Å; Y157-A183 HydrophobicContact CG-CB 4.16Å; Y157-L194 HydrophobicContact CD2-CD2 4.23Å
158R89.2Confident81.4Confident80 Ų8078.1 Ų78.130%0.30242%0.422SS..THydrogen-bonded Turntrans-86.3-42.6175.7-78.9177.9-172.6-96-8112.9C156 I166 C169 V173 E179 F180 F182C156-R158 PolarHBondContact O-N 3.42Å; C156-R158 VanDerWaalsContact O-N 3.1Å; R158-I166 HydrophobicContact CB-CG1 4.41Å; R158-I166 HydrophobicContact CG-CD1 4.11Å; R158-I166 HydrophobicContact CG-CG1 3.76Å; R158-C169 HydrophobicContact CB-CB 4.5Å; R158-V173 HydrophobicContact CB-CG2 3.92Å; R158-V173 WeakPolarHBondContact O-CG2 3.37Å; R158-E179 IonicContact CZ-OE1 3.93Å; R158-E179 IonicContact NH2-OE1 2.87Å; R158-E179 PolarHBondContact NH2-OE1 2.84Å; R158-F180 HydrophobicContact CG-CD1 4.09Å; R158-F180 HydrophobicContact CG-CE1 4.25Å; R158-F182 VanDerWaalsContact O-CD2 3.3Å; R158-F182 WeakPolarHBondContact O-CD2 3.43Å; R158-F182 VanDerWaalsContact O-CE2 3.31Å; R158-F182 WeakPolarHBondContact O-CE2 3.02Å
159C89.3Confident82.6Confident38 Ų3875.6 Ų75.626%0.25741%0.411SS..THydrogen-bonded Turntrans-127.52.9-172.465.20000115.4C156 S161 H164 A171 F182C156-C159 PolarHBondContact O-N 3.1Å; C159-S161 PolarHBondContact O-N 3.46Å; C159-S161 VanDerWaalsContact O-N 3.13Å; C159-S161 PolarHBondContact SG-OG 3.14Å; C159-H164 VanDerWaalsContact SG-CE1 3.52Å; C159-H164 PolarHBondContact SG-NE2 3.47Å; C159-H164 VanDerWaalsContact SG-NE2 3.36Å; C159-A171 HydrophobicContact CB-CB 3.65Å; C159-F182 VanDerWaalsContact C-CE2 3.47Å
160G86.8Confident84Confident26 Ų2676.8 Ų76.827%0.26841%0.413SS..  trans75.4-6.7176.700000115.7C156 F182C156-G160 VanDerWaalsContact O-CA 3.29Å; C156-G160 WeakPolarHBondContact O-CA 3.45Å; C156-G160 PolarHBondContact O-N 3.48Å; G160-F182 VanDerWaalsContact N-CD2 3.32Å
161S89.3Confident85.1Confident34 Ų3472.9 Ų72.924%0.23840%0.399CS..  trans-71.8140.8-179.162.50000112.4C156 C159 E163 H164C156-S161 VanDerWaalsContact CB-O 3.3Å; C156-S161 WeakPolarHBondContact CB-O 3.03Å; C156-S161 PolarHBondContact N-O 3.34Å; C159-S161 PolarHBondContact O-N 3.46Å; C159-S161 VanDerWaalsContact O-N 3.13Å; C159-S161 PolarHBondContact SG-OG 3.14Å; S161-E163 VanDerWaalsContact C-N 3.33Å; S161-H164 PolarHBondContact OG-CE1 3.17Å; S161-H164 PolarHBondContact OG-ND1 3.4Å; S161-H164 PolarHBondContact OG-NE2 2.8Å
162T88.8Confident86Confident108 Ų10881.1 Ų81.166%0.66343%0.434SS*.THydrogen-bonded Turntrans-83.2-6.717650.40000114.4G154 I155G154-T162 WeakPolarHBondContact O-CA 3.32Å; I155-T162 HydrophobicContact CG2-CG2 3.58Å
163E89.5Confident86.9Confident181 Ų18181.8 Ų81.885%0.84643%0.433SS*.THydrogen-bonded Turntrans-78.6-21.3-171.3-60.3-176.9173.600113.7S161S161-E163 VanDerWaalsContact C-N 3.33Å
164H90.1Very high87.4Confident51 Ų5183.1 Ų83.124%0.23644%0.437CS..SBendtrans-147.5157.4-174.564.1-95.4000113.5C156 C159 S161 K168 C169C156-H164 WeakPolarHBondContact CB-O 3.33Å; C156-H164 PolarHBondContact SG-NE2 3.36Å; C159-H164 VanDerWaalsContact SG-CE1 3.52Å; C159-H164 PolarHBondContact SG-NE2 3.47Å; C159-H164 VanDerWaalsContact SG-NE2 3.36Å; S161-H164 PolarHBondContact OG-CE1 3.17Å; S161-H164 PolarHBondContact OG-ND1 3.4Å; S161-H164 PolarHBondContact OG-NE2 2.8Å; H164-K168 HydrophobicContact CB-CB 4.32Å; H164-C169 VanDerWaalsContact CD2-CA 3.44Å; H164-C169 WeakPolarHBondContact CD2-CA 3.06Å; H164-C169 VanDerWaalsContact NE2-CA 3.33Å; H164-C169 WeakPolarHBondContact NE2-CA 3.32Å; H164-C169 WeakPolarHBondContact NE2-CB 3.23Å; H164-C169 PolarHBondContact NE2-SG 2.77Å
165E88.9Confident87.4Confident135 Ų13586.6 Ų86.663%0.63145%0.45SS*.  trans-83.4161.3171.1-66.6173.8-168.700111.3T167 K168 C169E165-T167 PolarHBondContact O-N 2.82Å; E165-K168 PolarHBondContact O-N 3.18Å; E165-C169 PolarHBondContact O-N 2.96Å
166I87.6Confident87Confident50 Ų5089.2 Ų89.226%0.25648%0.478SS..G310 helixtrans-52.4-31.3-177.4-143169.6000114.3Y157 R158 K168 C169 F180Y157-I166 HydrophobicContact CD2-CD1 4.11Å; Y157-I166 HydrophobicContact CG-CD1 4.5Å; R158-I166 HydrophobicContact CB-CG1 4.41Å; R158-I166 HydrophobicContact CG-CD1 4.11Å; R158-I166 HydrophobicContact CG-CG1 3.76Å; I166-K168 VanDerWaalsContact C-N 3.28Å; I166-K168 PolarHBondContact O-N 3.23Å; I166-C169 WeakPolarHBondContact O-CB 3.42Å; I166-C169 PolarHBondContact O-N 2.95Å; I166-F180 HydrophobicContact CD1-CD1 3.44Å; I166-F180 VanDerWaalsContact CD1-CD1 3.44Å; I166-F180 HydrophobicContact CD1-CE1 3.21Å; I166-F180 HydrophobicContact CD1-CZ 4.23Å; I166-F180 HydrophobicContact CG1-CE1 4.27Å
167T89.1Confident86.4Confident110 Ų11094.5 Ų94.568%0.67551%0.506SS*.G310 helixtrans-70.4-24.7-179.155.40000113E165E165-T167 PolarHBondContact O-N 2.82Å
168K90.3Very high85.9Confident151 Ų15193.6 Ų93.666%0.65751%0.513SS*.G310 helixtrans-106.65.7-179.8-61.9177.3-173.7171.70111.9H164 E165 I166 K170H164-K168 HydrophobicContact CB-CB 4.32Å; E165-K168 PolarHBondContact O-N 3.18Å; I166-K168 VanDerWaalsContact C-N 3.28Å; I166-K168 PolarHBondContact O-N 3.23Å; K168-K170 PolarHBondContact O-N 3.46Å
169C90.7Very high85.5Confident24 Ų2495.3 Ų95.316%0.16253%0.525CS..  trans-70.5121.7178.5-169.90000110.4C156 R158 H164 E165 I166C156-C169 VanDerWaalsContact SG-CB 3.57Å; R158-C169 HydrophobicContact CB-CB 4.5Å; H164-C169 VanDerWaalsContact CD2-CA 3.44Å; H164-C169 WeakPolarHBondContact CD2-CA 3.06Å; H164-C169 VanDerWaalsContact NE2-CA 3.33Å; H164-C169 WeakPolarHBondContact NE2-CA 3.32Å; H164-C169 WeakPolarHBondContact NE2-CB 3.23Å; H164-C169 PolarHBondContact NE2-SG 2.77Å; E165-C169 PolarHBondContact O-N 2.96Å; I166-C169 WeakPolarHBondContact O-CB 3.42Å; I166-C169 PolarHBondContact O-N 2.95Å
170K90.1Very high85.5Confident198 Ų19894.7 Ų94.786%0.86152%0.518SS*.  trans-102.4-3.6175.1-62.3-175.9-179.51800112.9K168 K172K168-K170 PolarHBondContact O-N 3.46Å; K170-K172 PolarHBondContact O-N 3.2Å
171A86.1Confident85.5Confident49 Ų4994.6 Ų94.641%0.40551%0.512SS..PPolyproline II helixtrans-67.2133.418000000109.9C159C159-A171 HydrophobicContact CB-CB 3.65Å
172K83.8Confident85.5Confident209 Ų20997.5 Ų97.591%0.90952%0.521SS*.PPolyproline II helixtrans-83116.8169-62.4179.3-178-179.90106.4K170K170-K172 PolarHBondContact O-N 3.2Å
173V81.4Confident85.5Confident40 Ų4092.3 Ų92.324%0.24249%0.489CS..PPolyproline II helixtrans-98.6138.1177.4-175.30000107.4R158 P175 P181R158-V173 HydrophobicContact CB-CG2 3.92Å; R158-V173 WeakPolarHBondContact O-CG2 3.37Å; V173-P175 WeakPolarHBondContact O-CD 3.39Å; V173-P181 HydrophobicContact CG1-CG 3.82Å
174D79.2Confident85.4Confident111 Ų11186.4 Ų86.459%0.59446%0.46SS*.PPolyproline II helixtrans-62.9125.6177.8-65.4-45.8000110.2A176 L177D174-A176 PolarHBondContact O-N 3.12Å; D174-L177 HydrophobicContact CB-CD1 4.44Å; D174-L177 PolarHBondContact O-N 3.35Å
175P78.9Confident85.2Confident125 Ų12584 Ų8481%0.81245%0.45SS*.G310 helixtrans-57.7-22.9-179-26.134.3000114.1V173 L177 G178V173-P175 WeakPolarHBondContact O-CD 3.39Å; P175-L177 VanDerWaalsContact C-N 3.28Å; P175-L177 PolarHBondContact O-N 3.06Å; P175-G178 PolarHBondContact O-N 2.96Å
176A79.7Confident84.9Confident99 Ų9979.6 Ų79.682%0.81843%0.428SS*.G310 helixtrans-67.2-25.3178.400000113.5D174 G178D174-A176 PolarHBondContact O-N 3.12Å; A176-G178 VanDerWaalsContact C-N 3.29Å
177L75.9Confident84.7Confident112 Ų11279.3 Ų79.359%0.58643%0.428SS*.G310 helixtrans-88.13.5-180-63.6174.4000112.9D174 P175 P181D174-L177 HydrophobicContact CB-CD1 4.44Å; D174-L177 PolarHBondContact O-N 3.35Å; P175-L177 VanDerWaalsContact C-N 3.28Å; P175-L177 PolarHBondContact O-N 3.06Å; L177-P181 HydrophobicContact CB-CB 4.21Å; L177-P181 HydrophobicContact CB-CG 4.49Å
178G78.5Confident84.5Confident35 Ų3576.3 Ų76.336%0.36141%0.411SS..  trans81.1173.5-175.600000113.2P175 A176 F180P175-G178 PolarHBondContact O-N 2.96Å; A176-G178 VanDerWaalsContact C-N 3.29Å; G178-F180 VanDerWaalsContact C-N 3.3Å; G178-F180 PolarHBondContact O-N 3.1Å
179E82.6Confident84.2Confident116 Ų11670.7 Ų70.754%0.54240%0.397SS..SBendtrans-69.3-29.7-175-162.3-179.9179.700112.7R158R158-E179 IonicContact CZ-OE1 3.93Å; R158-E179 IonicContact NH2-OE1 2.87Å; R158-E179 PolarHBondContact NH2-OE1 2.84Å
180F88.2Confident84Confident25 Ų2575 Ų7511%0.1141%0.414CS..EExtended strand (participates in β ladder)trans-138.668-172.6-52.9-58.8000113.2Y157 R158 I166 G178 F182 A183 G192 L194Y157-F180 CarbonylContact O-C 3.5Å; R158-F180 HydrophobicContact CG-CD1 4.09Å; R158-F180 HydrophobicContact CG-CE1 4.25Å; I166-F180 HydrophobicContact CD1-CD1 3.44Å; I166-F180 VanDerWaalsContact CD1-CD1 3.44Å; I166-F180 HydrophobicContact CD1-CE1 3.21Å; I166-F180 HydrophobicContact CD1-CZ 4.23Å; I166-F180 HydrophobicContact CG1-CE1 4.27Å; G178-F180 VanDerWaalsContact C-N 3.3Å; G178-F180 PolarHBondContact O-N 3.1Å; F180-F182 VanDerWaalsContact C-N 3.25Å; F180-F182 PolarHBondContact O-N 3.19Å; F180-A183 HydrophobicContact CB-CB 3.67Å; F180-A183 WeakPolarHBondContact O-CB 3.23Å; F180-A183 PolarHBondContact O-N 3.48Å; F180-A183 VanDerWaalsContact O-N 3.13Å; F180-G192 CarbonylContact O-C 3.18Å; F180-G192 WeakPolarHBondContact O-CA 3.49Å; F180-L194 HydrophobicContact CD2-CD1 3.84Å; F180-L194 HydrophobicContact CD2-CG 3.95Å; F180-L194 HydrophobicContact CE2-CD1 3.74Å; F180-L194 HydrophobicContact CE2-CG 4.35Å; F180-L194 HydrophobicContact CG-CD1 4.41Å; F180-L194 HydrophobicContact CG-CG 4.38Å; F180-L194 HydrophobicContact CZ-CD1 4.23Å
181P87.8Confident83.9Confident23 Ų2372.1 Ų72.115%0.14941%0.406CS..EExtended strand (participates in β ladder)trans-61.2-31.1-174.921.6-31.6000113.8V173 L177V173-P181 HydrophobicContact CG1-CG 3.82Å; L177-P181 HydrophobicContact CB-CB 4.21Å; L177-P181 HydrophobicContact CB-CG 4.49Å
182F88.1Confident84Confident95 Ų9571.2 Ų71.242%0.41740%0.401SS..EExtended strand (participates in β ladder)trans-97.52.5-178.6-52.6-82000113.1I155 Y157 R158 C159 G160 F180 K184I155-F182 HydrophobicContact CD1-CB 4.22Å; I155-F182 WeakPolarHBondContact CD1-O 2.98Å; Y157-F182 PolarHBondContact O-N 3.06Å; R158-F182 VanDerWaalsContact O-CD2 3.3Å; R158-F182 WeakPolarHBondContact O-CD2 3.43Å; R158-F182 VanDerWaalsContact O-CE2 3.31Å; R158-F182 WeakPolarHBondContact O-CE2 3.02Å; C159-F182 VanDerWaalsContact C-CE2 3.47Å; G160-F182 VanDerWaalsContact N-CD2 3.32Å; F180-F182 VanDerWaalsContact C-N 3.25Å; F180-F182 PolarHBondContact O-N 3.19Å; F182-K184 PolarHBondContact O-N 2.83Å
183A88.4Confident84.2Confident0 Ų062.6 Ų62.60%036%0.364CS..EExtended strand (participates in β ladder)trans-73.5124.4172.800000110Y157 F180 M191 G192 L194Y157-A183 HydrophobicContact CD1-CB 4.21Å; Y157-A183 HydrophobicContact CG-CB 4.16Å; F180-A183 HydrophobicContact CB-CB 3.67Å; F180-A183 WeakPolarHBondContact O-CB 3.23Å; F180-A183 PolarHBondContact O-N 3.48Å; F180-A183 VanDerWaalsContact O-N 3.13Å; A183-M191 CarbonylContact O-C 3.44Å; A183-M191 WeakPolarHBondContact O-CA 3.23Å; A183-G192 PolarHBondContact O-N 3.21Å; A183-L194 HydrophobicContact CB-CD2 3.82Å; A183-L194 HydrophobicContact CB-CG 4.34Å
184K87.3Confident84.5Confident57 Ų5763.2 Ų63.225%0.24837%0.366CS..EExtended strand (participates in β ladder)trans-92.7126.4166.5-167.7175.2-178.61770109.5D150 M151 F182 F186 G189D150-K184 PolarHBondContact O-NZ 3.38Å; D150-K184 VanDerWaalsContact O-NZ 3.14Å; M151-K184 HydrophobicContact SD-CD 3.79Å; F182-K184 PolarHBondContact O-N 2.83Å; K184-F186 PolarHBondContact O-N 2.75Å; K184-G189 VanDerWaalsContact CE-O 3.27Å; K184-G189 WeakPolarHBondContact CE-O 3.42Å; K184-G189 WeakPolarHBondContact CG-O 3.09Å
185C86.4Confident84.7Confident1 Ų159.1 Ų59.11%0.00735%0.346CS..PPolyproline II helixtrans-71.7126.3179.5-178.50000110.8V187 C188 G189 E190 H193C185-V187 PolarHBondContact O-N 2.97Å; C185-V187 VanDerWaalsContact O-N 3.16Å; C185-V187 PolarHBondContact SG-N 3.06Å; C185-V187 VanDerWaalsContact SG-N 3.39Å; C185-C188 VanDerWaalsContact CB-SG 3.53Å; C185-C188 VanDerWaalsContact SG-SG 3.63Å; C185-G189 WeakPolarHBondContact O-CA 3.42Å; C185-G189 PolarHBondContact O-N 3.29Å; C185-E190 WeakPolarHBondContact CB-O 3.44Å; C185-E190 PolarHBondContact N-O 3.15Å; C185-H193 VanDerWaalsContact CB-NE2 3.3Å; C185-H193 WeakPolarHBondContact CB-NE2 3.42Å; C185-H193 PolarHBondContact SG-NE2 3.39Å; C185-H193 VanDerWaalsContact SG-NE2 3.39Å
186F82.8Confident84.8Confident42 Ų4261.3 Ų61.318%0.18434%0.338CS..THydrogen-bonded Turntrans-71.5-3176.2-55.5-67.4000114.7K184 S195K184-F186 PolarHBondContact O-N 2.75Å; F186-S195 WeakPolarHBondContact CB-OG 3.39Å; F186-S195 PolarHBondContact N-OG 2.85Å
187V83.4Confident85Confident43 Ų4360.7 Ų60.726%0.26133%0.328SS..THydrogen-bonded Turntrans-105.2-57.6-178.6-176.20000111.1C185 P202C185-V187 PolarHBondContact O-N 2.97Å; C185-V187 VanDerWaalsContact O-N 3.16Å; C185-V187 PolarHBondContact SG-N 3.06Å; C185-V187 VanDerWaalsContact SG-N 3.39Å; V187-P202 HydrophobicContact CG1-CG 4.39Å
188C84.9Confident85.6Confident47 Ų4755.9 Ų55.932%0.31830%0.304SS..THydrogen-bonded Turntrans-94.7-14.4179.365.50000114C185 E190 H193 C198C185-C188 VanDerWaalsContact CB-SG 3.53Å; C185-C188 VanDerWaalsContact SG-SG 3.63Å; C188-E190 HydrophobicContact CB-CG 4.44Å; C188-E190 PolarHBondContact O-N 2.76Å; C188-H193 PolarHBondContact SG-CE1 3.42Å; C188-H193 PolarHBondContact SG-NE2 3.29Å; C188-C198 VanDerWaalsContact SG-SG 3.61Å
189G83.6Confident85.8Confident34 Ų3459 Ų5935%0.35132%0.318SS..  trans79.9-6.6-179.200000115.2K184 C185K184-G189 VanDerWaalsContact CE-O 3.27Å; K184-G189 WeakPolarHBondContact CE-O 3.42Å; K184-G189 WeakPolarHBondContact CG-O 3.09Å; C185-G189 WeakPolarHBondContact O-CA 3.42Å; C185-G189 PolarHBondContact O-N 3.29Å
190E87.4Confident85.8Confident113 Ų11358.9 Ų58.953%0.52832%0.32SS..  trans-74.5156.7178.2-59.5-178.615900112.1C185 C188 H193C185-E190 WeakPolarHBondContact CB-O 3.44Å; C185-E190 PolarHBondContact N-O 3.15Å; C188-E190 HydrophobicContact CB-CG 4.44Å; C188-E190 PolarHBondContact O-N 2.76Å; E190-H193 IonicContact OE2-CE1 3.96Å
191M87.4Confident85.4Confident139 Ų13958.2 Ų58.269%0.68532%0.318SS*.EExtended strand (participates in β ladder)trans-95.4157.1177.3-53.7-166.6-39.800111.7A183A183-M191 CarbonylContact O-C 3.44Å; A183-M191 WeakPolarHBondContact O-CA 3.23Å
192G88.3Confident85Confident30 Ų3062.6 Ų62.631%0.30935%0.346SS..EExtended strand (participates in β ladder)trans107.2-8.5174.400000114.9F180 A183F180-G192 CarbonylContact O-C 3.18Å; F180-G192 WeakPolarHBondContact O-CA 3.49Å; A183-G192 PolarHBondContact O-N 3.21Å
193H88.4Confident84.3Confident28 Ų2864.1 Ų64.113%0.1335%0.353CS..SBendtrans-147.7158.6179.366.9-90.9000112.9C185 C188 E190 C198C185-H193 VanDerWaalsContact CB-NE2 3.3Å; C185-H193 WeakPolarHBondContact CB-NE2 3.42Å; C185-H193 PolarHBondContact SG-NE2 3.39Å; C185-H193 VanDerWaalsContact SG-NE2 3.39Å; C188-H193 PolarHBondContact SG-CE1 3.42Å; C188-H193 PolarHBondContact SG-NE2 3.29Å; E190-H193 IonicContact OE2-CE1 3.96Å; H193-C198 VanDerWaalsContact CD2-CA 3.4Å; H193-C198 WeakPolarHBondContact CD2-CA 3.5Å; H193-C198 WeakPolarHBondContact NE2-CB 3.4Å; H193-C198 PolarHBondContact NE2-SG 3.04Å
194L86.8Confident84Confident52 Ų5264.1 Ų64.127%0.27235%0.353SS..  trans-89.7156.9173-66.1172.1000110.3Y157 F180 A183 R196 S197 C198Y157-L194 HydrophobicContact CD2-CD2 4.23Å; F180-L194 HydrophobicContact CD2-CD1 3.84Å; F180-L194 HydrophobicContact CD2-CG 3.95Å; F180-L194 HydrophobicContact CE2-CD1 3.74Å; F180-L194 HydrophobicContact CE2-CG 4.35Å; F180-L194 HydrophobicContact CG-CD1 4.41Å; F180-L194 HydrophobicContact CG-CG 4.38Å; F180-L194 HydrophobicContact CZ-CD1 4.23Å; A183-L194 HydrophobicContact CB-CD2 3.82Å; A183-L194 HydrophobicContact CB-CG 4.34Å; L194-R196 PolarHBondContact O-N 3.46Å; L194-S197 CarbonylContact O-C 3.57Å; L194-S197 PolarHBondContact O-N 3.26Å; L194-C198 PolarHBondContact O-N 2.92Å
195S83.4Confident83.6Confident26 Ų2663.5 Ų63.518%0.18235%0.352CS..THydrogen-bonded Turntrans-56.7-17.6178.6-56.60000115.4F186F186-S195 WeakPolarHBondContact CB-OG 3.39Å; F186-S195 PolarHBondContact N-OG 2.85Å
196R82.1Confident83.5Confident170 Ų17065.9 Ų65.964%0.64236%0.361SS*.THydrogen-bonded Turntrans-76-31.6173.1-178173.7177.7179.4-0.6113L194 L205L194-R196 PolarHBondContact O-N 3.46Å; R196-L205 HydrophobicContact CG-CD2 3.91Å; R196-L205 HydrophobicContact CG-CG 4.24Å
197S83.9Confident83.3Confident86 Ų8666.2 Ų66.260%0.60137%0.372SS*.SBendtrans-107.821.8-178.3-50.20000111.3L194L194-S197 CarbonylContact O-C 3.57Å; L194-S197 PolarHBondContact O-N 3.26Å
198C86.9Confident83.1Confident12 Ų1271.7 Ų71.78%0.08140%0.4CS..  trans-76.4123.4177.8-175.10000109C188 H193 L194 D200 N201C188-C198 VanDerWaalsContact SG-SG 3.61Å; H193-C198 VanDerWaalsContact CD2-CA 3.4Å; H193-C198 WeakPolarHBondContact CD2-CA 3.5Å; H193-C198 WeakPolarHBondContact NE2-CB 3.4Å; H193-C198 PolarHBondContact NE2-SG 3.04Å; L194-C198 PolarHBondContact O-N 2.92Å; C198-D200 VanDerWaalsContact C-N 3.3Å; C198-N201 HydrophobicContact CB-CB 4.36Å
199P82.9Confident82.8Confident101 Ų10170.9 Ų70.966%0.65640%0.399SS*.SBendtrans-65-38.4177.226-32.6000111N201P199-N201 PolarHBondContact O-N 3.26Å
200D82.9Confident82.8Confident112 Ų11271.1 Ų71.160%0.59940%0.402SS*.  trans-102.669.2-177.6-63-34.4000111.3C198 P202C198-D200 VanDerWaalsContact C-N 3.3Å; D200-P202 WeakPolarHBondContact O-CD 3.4Å
201N80.6Confident82.7Confident12 Ų1266.8 Ų66.86%0.06439%0.388CS..  trans-103.987.8177.7-173.31.8000112.3C198 P199 K203 G204 V218C198-N201 HydrophobicContact CB-CB 4.36Å; P199-N201 PolarHBondContact O-N 3.26Å; N201-K203 PolarHBondContact O-N 3.2Å; N201-K203 VanDerWaalsContact O-N 3.12Å; N201-K203 PolarHBondContact OD1-N 3Å; N201-G204 PolarHBondContact ND2-O 3.1Å; N201-G204 PolarHBondContact O-N 2.75Å; N201-G204 PolarHBondContact OD1-N 2.87Å; N201-V218 HydrophobicContact CB-CG1 4.06Å; N201-V218 WeakPolarHBondContact O-CG1 3.21Å
202P78.4Confident82.8Confident114 Ų11460.3 Ų60.374%0.7436%0.356SS*.THydrogen-bonded Turntrans-64.3-21.2179.426.5-36.3000113.3V187 D200V187-P202 HydrophobicContact CG1-CG 4.39Å; D200-P202 WeakPolarHBondContact O-CD 3.4Å
203K74.9Confident82.6Confident127 Ų12767.5 Ų67.555%0.55238%0.379SS*.THydrogen-bonded Turntrans-95-11.7-175.9-70-177.8-177.7173.40113.8N201 G209 G210N201-K203 PolarHBondContact O-N 3.2Å; N201-K203 VanDerWaalsContact O-N 3.12Å; N201-K203 PolarHBondContact OD1-N 3Å; K203-G209 CarbonylContact O-C 3.51Å; K203-G209 WeakPolarHBondContact O-CA 3.2Å; K203-G210 PolarHBondContact O-N 3.3Å
204G80.3Confident82.6Confident0 Ų069.7 Ų69.70%039%0.391CS..  trans86.8162.6-176.900000115.9R133 N201 Y206 G210R133-G204 PolarHBondContact NH1-O 3.29Å; R133-G204 PolarHBondContact NH2-O 3.43Å; R133-G204 VanDerWaalsContact NH2-O 3.1Å; N201-G204 PolarHBondContact ND2-O 3.1Å; N201-G204 PolarHBondContact O-N 2.75Å; N201-G204 PolarHBondContact OD1-N 2.87Å; G204-Y206 PolarHBondContact O-N 2.92Å; G204-G210 WeakPolarHBondContact CA-O 3.3Å
205L80.6Confident82.6Confident44 Ų4469.3 Ų69.323%0.2339%0.392CS..SBendtrans-69-18.6170.4-97.372.1000113.2R196 V218 E219R196-L205 HydrophobicContact CG-CD2 3.91Å; R196-L205 HydrophobicContact CG-CG 4.24Å; L205-V218 VanDerWaalsContact CD1-O 3.23Å; L205-V218 WeakPolarHBondContact CD1-O 3.17Å; L205-V218 PolarHBondContact N-O 2.77Å; L205-E219 WeakPolarHBondContact CD2-O 3.19Å
206Y83.3Confident82.6Confident51 Ų5170.6 Ų70.620%0.241%0.409CS..SBendtrans-75.4145.3-178.1-72.2-87.5000112.5R133 G204 D208 G209 G210 G211 L221 K222R133-Y206 PolarHBondContact NH1-O 3.16Å; G204-Y206 PolarHBondContact O-N 2.92Å; Y206-D208 PolarHBondContact O-N 3.39Å; Y206-G209 PolarHBondContact O-N 3.46Å; Y206-G209 VanDerWaalsContact O-N 3.1Å; Y206-G210 WeakPolarHBondContact CD2-O 3.47Å; Y206-G211 WeakPolarHBondContact CE2-O 3.49Å; Y206-L221 HydrophobicContact CD1-CD2 4.25Å; Y206-L221 HydrophobicContact CE1-CD2 3.89Å; Y206-L221 HydrophobicContact CE2-CD2 4.46Å; Y206-K222 PolarHBondContact OH-N 3.13Å
207A79.3Confident82.8Confident50 Ų5064.1 Ų64.141%0.41339%0.39SS..THydrogen-bonded Turntrans-60.6-46.7-178.300000112.5V128 G209V128-A207 HydrophobicContact CB-CB 4.28Å; V128-A207 HydrophobicContact CG1-CB 4.33Å; V128-A207 HydrophobicContact CG2-CB 4.2Å; A207-G209 PolarHBondContact O-N 3.1Å
208D77.6Confident82.9Confident157 Ų15762.3 Ų62.384%0.8438%0.375SS*.THydrogen-bonded Turntrans-79.7-2.7178.3-54.5-35.6000113Y206Y206-D208 PolarHBondContact O-N 3.39Å
209G79.9Confident82.7Confident30 Ų3069.5 Ų69.531%0.30941%0.408SS..  trans84.8169.7-173.900000114.4K203 Y206 A207K203-G209 CarbonylContact O-C 3.51Å; K203-G209 WeakPolarHBondContact O-CA 3.2Å; Y206-G209 PolarHBondContact O-N 3.46Å; Y206-G209 VanDerWaalsContact O-N 3.1Å; A207-G209 PolarHBondContact O-N 3.1Å
210G83.6Confident82.9Confident40 Ų4066.1 Ų66.141%0.41238%0.383SS..  trans100.5178.7-178.400000114.2K203 G204 Y206K203-G210 PolarHBondContact O-N 3.3Å; G204-G210 WeakPolarHBondContact CA-O 3.3Å; Y206-G210 WeakPolarHBondContact CD2-O 3.47Å
211G85.5Confident83.1Confident22 Ų2263.8 Ų63.823%0.22737%0.37CS..  trans-101.7-179.4-179.600000113.8Y206 K213 S217Y206-G211 WeakPolarHBondContact CE2-O 3.49Å; G211-K213 PolarHBondContact O-N 3.39Å; G211-S217 CarbonylContact C-O 3.55Å; G211-S217 VanDerWaalsContact CA-O 3.32Å; G211-S217 WeakPolarHBondContact CA-O 3.27Å
212C88Confident83.4Confident3 Ų368.4 Ų68.42%0.0239%0.39CS..  trans-49.7130.8170.11790000110.1L214 C215 G216 S217 H220 C225C212-L214 PolarHBondContact O-N 3.45Å; C212-L214 VanDerWaalsContact O-N 3.15Å; C212-C215 VanDerWaalsContact CB-SG 3.55Å; C212-C215 VanDerWaalsContact SG-SG 3.67Å; C212-G216 WeakPolarHBondContact O-CA 3.39Å; C212-G216 PolarHBondContact O-N 2.78Å; C212-S217 WeakPolarHBondContact CB-O 3.33Å; C212-S217 PolarHBondContact N-O 3.49Å; C212-H220 WeakPolarHBondContact CB-NE2 3.04Å; C212-H220 PolarHBondContact SG-NE2 3.33Å; C212-H220 VanDerWaalsContact SG-NE2 3.44Å; C212-C225 VanDerWaalsContact SG-SG 3.61Å
213K85.6Confident83.7Confident180 Ų18071.8 Ų71.878%0.78339%0.393SS*.THydrogen-bonded Turntrans-70.7-8.5-177.4-61.7-169.9177.9-170.60114.3G211G211-K213 PolarHBondContact O-N 3.39Å
214L87.4Confident84.2Confident75 Ų7570.3 Ų70.339%0.39339%0.391SS..THydrogen-bonded Turntrans-95.6-60.6178.8-64.4173.4000110.3C212 K222 C225 S228C212-L214 PolarHBondContact O-N 3.45Å; C212-L214 VanDerWaalsContact O-N 3.15Å; L214-K222 HydrophobicContact CD1-CG 3.92Å; L214-K222 HydrophobicContact CG-CG 4.19Å; L214-C225 HydrophobicContact CD1-CB 4.37Å; L214-S228 VanDerWaalsContact CD1-CB 3.47Å
215C86.8Confident84.6Confident44 Ų4470.3 Ų70.330%0.29739%0.391SS..THydrogen-bonded Turntrans-101.9-5.4-175.3620000114.8C212 S217 H220 C225 E227C212-C215 VanDerWaalsContact CB-SG 3.55Å; C212-C215 VanDerWaalsContact SG-SG 3.67Å; C215-S217 PolarHBondContact O-N 2.8Å; C215-S217 PolarHBondContact SG-OG 3.27Å; C215-H220 PolarHBondContact SG-CE1 3.4Å; C215-H220 PolarHBondContact SG-NE2 3.41Å; C215-C225 VanDerWaalsContact SG-SG 3.64Å; C215-E227 WeakPolarHBondContact CB-OE2 3.4Å
216G84.5Confident84.9Confident52 Ų5272.1 Ų72.154%0.53641%0.406SS..  trans77.7-6.4-178.900000115.8C212C212-G216 WeakPolarHBondContact O-CA 3.39Å; C212-G216 PolarHBondContact O-N 2.78Å
217S85.6Confident84.9Confident35 Ų3574.9 Ų74.925%0.24542%0.42CS..  trans-72144-176.265.50000113G211 C212 C215 H220G211-S217 CarbonylContact C-O 3.55Å; G211-S217 VanDerWaalsContact CA-O 3.32Å; G211-S217 WeakPolarHBondContact CA-O 3.27Å; C212-S217 WeakPolarHBondContact CB-O 3.33Å; C212-S217 PolarHBondContact N-O 3.49Å; C215-S217 PolarHBondContact O-N 2.8Å; C215-S217 PolarHBondContact SG-OG 3.27Å; S217-H220 PolarHBondContact OG-CE1 3.43Å; S217-H220 PolarHBondContact OG-ND1 3.37Å; S217-H220 VanDerWaalsContact OG-ND1 3.14Å; S217-H220 PolarHBondContact OG-NE2 2.91Å
218V85.6Confident84.7Confident47 Ų4773.2 Ų73.229%0.28541%0.406SS..SBendtrans-81.2-22.4-176161.10000113N201 L205 H220N201-V218 HydrophobicContact CB-CG1 4.06Å; N201-V218 WeakPolarHBondContact O-CG1 3.21Å; L205-V218 VanDerWaalsContact CD1-O 3.23Å; L205-V218 WeakPolarHBondContact CD1-O 3.17Å; L205-V218 PolarHBondContact N-O 2.77Å; V218-H220 PolarHBondContact O-N 2.99Å
219E84.5Confident84.2Confident163 Ų16372.2 Ų72.276%0.76240%0.396SS*.SBendtrans-74.2-24.5-167.6-61.7177.9178.800114.9L205L205-E219 WeakPolarHBondContact CD2-O 3.19Å
220H85.5Confident83.5Confident31 Ų3177.2 Ų77.214%0.14442%0.415CS..SBendtrans-133.4156.4-174.164.4-108.7000113.5C212 C215 S217 V218 D224 C225C212-H220 WeakPolarHBondContact CB-NE2 3.04Å; C212-H220 PolarHBondContact SG-NE2 3.33Å; C212-H220 VanDerWaalsContact SG-NE2 3.44Å; C215-H220 PolarHBondContact SG-CE1 3.4Å; C215-H220 PolarHBondContact SG-NE2 3.41Å; S217-H220 PolarHBondContact OG-CE1 3.43Å; S217-H220 PolarHBondContact OG-ND1 3.37Å; S217-H220 VanDerWaalsContact OG-ND1 3.14Å; S217-H220 PolarHBondContact OG-NE2 2.91Å; V218-H220 PolarHBondContact O-N 2.99Å; H220-D224 HydrophobicContact CB-CB 4.33Å; H220-C225 VanDerWaalsContact CD2-CA 3.41Å; H220-C225 WeakPolarHBondContact CD2-CA 3.45Å; H220-C225 VanDerWaalsContact NE2-CA 3.32Å; H220-C225 WeakPolarHBondContact NE2-CA 3.29Å; H220-C225 WeakPolarHBondContact NE2-CB 3.47Å; H220-C225 PolarHBondContact NE2-SG 3.04Å
221L87.2Confident82.3Confident62 Ų6278.4 Ų78.433%0.32542%0.417SS..  trans-78.9152169.4-68.9160.1000109.2Y206 K223 D224 C225Y206-L221 HydrophobicContact CD1-CD2 4.25Å; Y206-L221 HydrophobicContact CE1-CD2 3.89Å; Y206-L221 HydrophobicContact CE2-CD2 4.46Å; L221-K223 PolarHBondContact O-N 2.66Å; L221-D224 CarbonylContact O-C 3.41Å; L221-D224 WeakPolarHBondContact O-CA 3.37Å; L221-D224 PolarHBondContact O-N 3.4Å; L221-C225 PolarHBondContact O-N 3.32Å
222K86.4Confident80.9Confident109 Ų10985 Ų8547%0.47444%0.443SS..G310 helixtrans-45-34.6176.5-178.3-178.6177.1-176.40113.8Y206 L214 D224 C225 S228Y206-K222 PolarHBondContact OH-N 3.13Å; L214-K222 HydrophobicContact CD1-CG 3.92Å; L214-K222 HydrophobicContact CG-CG 4.19Å; K222-D224 VanDerWaalsContact C-N 3.32Å; K222-C225 VanDerWaalsContact O-CB 3.26Å; K222-C225 WeakPolarHBondContact O-CB 3.12Å; K222-C225 PolarHBondContact O-N 3.14Å; K222-S228 PolarHBondContact O-OG 3.47Å
223K85.4Confident79.5Confident186 Ų18696.1 Ų96.181%0.80948%0.484SS*.G310 helixtrans-68.5-31.8179.7-61.8-172.1177.5-1720113.5L221 C225L221-K223 PolarHBondContact O-N 2.66Å; K223-C225 VanDerWaalsContact C-N 3.32Å
224D86.3Confident78.2Confident96 Ų9694.6 Ų94.651%0.51348%0.481SS..G310 helixtrans-99.712.3-178-49.5-44.1000110.4H220 L221 K222H220-D224 HydrophobicContact CB-CB 4.33Å; L221-D224 CarbonylContact O-C 3.41Å; L221-D224 WeakPolarHBondContact O-CA 3.37Å; L221-D224 PolarHBondContact O-N 3.4Å; K222-D224 VanDerWaalsContact C-N 3.32Å
225C88.7Confident76.9Confident0 Ų097.2 Ų97.20%050%0.501CS..  trans-74.3125.1-179.3-179.30000109.6C212 L214 C215 H220 L221 K222 K223 E227 S228C212-C225 VanDerWaalsContact SG-SG 3.61Å; L214-C225 HydrophobicContact CD1-CB 4.37Å; C215-C225 VanDerWaalsContact SG-SG 3.64Å; H220-C225 VanDerWaalsContact CD2-CA 3.41Å; H220-C225 WeakPolarHBondContact CD2-CA 3.45Å; H220-C225 VanDerWaalsContact NE2-CA 3.32Å; H220-C225 WeakPolarHBondContact NE2-CA 3.29Å; H220-C225 WeakPolarHBondContact NE2-CB 3.47Å; H220-C225 PolarHBondContact NE2-SG 3.04Å; L221-C225 PolarHBondContact O-N 3.32Å; K222-C225 VanDerWaalsContact O-CB 3.26Å; K222-C225 WeakPolarHBondContact O-CB 3.12Å; K222-C225 PolarHBondContact O-N 3.14Å; K223-C225 VanDerWaalsContact C-N 3.32Å; C225-E227 PolarHBondContact O-N 3.38Å; C225-S228 WeakPolarHBondContact O-CB 3.33Å; C225-S228 PolarHBondContact O-N 3.2Å; C225-S228 PolarHBondContact O-OG 3.34Å
226P85.9Confident75.7Confident82 Ų82101 Ų10153%0.53252%0.522SS..Hα-helixtrans-60.8-33.8-179.524.5-33.4000111.7S228 Q229P226-S228 VanDerWaalsContact C-N 3.29Å; P226-S228 PolarHBondContact O-N 3.13Å; P226-Q229 PolarHBondContact O-N 3.44Å
227E83.3Confident74.7Confident108 Ų108104.4 Ų104.451%0.50553%0.532SS..Hα-helixtrans-70.9-23.9175.6-63.5175.7-173.300113C215 C225 Q229 N230 S231C215-E227 WeakPolarHBondContact CB-OE2 3.4Å; C225-E227 PolarHBondContact O-N 3.38Å; E227-Q229 VanDerWaalsContact C-N 3.34Å; E227-Q229 PolarHBondContact O-N 3.13Å; E227-N230 PolarHBondContact O-N 3.34Å; E227-S231 PolarHBondContact O-N 2.85Å
228S76.3Confident73.9Confident16 Ų16105.3 Ų105.311%0.11255%0.548CS..Hα-helixtrans-69.8-31.4178.475.20000112.7L214 K222 C225 P226 N230 S231 E232L214-S228 VanDerWaalsContact CD1-CB 3.47Å; K222-S228 PolarHBondContact O-OG 3.47Å; C225-S228 WeakPolarHBondContact O-CB 3.33Å; C225-S228 PolarHBondContact O-N 3.2Å; C225-S228 PolarHBondContact O-OG 3.34Å; P226-S228 VanDerWaalsContact C-N 3.29Å; P226-S228 PolarHBondContact O-N 3.13Å; S228-N230 PolarHBondContact O-N 3.16Å; S228-S231 WeakPolarHBondContact CA-OG 3.39Å; S228-S231 CarbonylContact O-C 3.59Å; S228-S231 WeakPolarHBondContact O-CA 3.44Å; S228-S231 PolarHBondContact O-N 3.34Å; S228-S231 PolarHBondContact O-OG 3.41Å; S228-E232 PolarHBondContact O-N 3.04Å
229Q66.5Low73Confident135 Ų135114.8 Ų114.863%0.63158%0.578SS**Hα-helixtrans-62.7-31.5175.7-65.5-170.82.300111.6P226 E227 S231 E232P226-Q229 PolarHBondContact O-N 3.44Å; E227-Q229 VanDerWaalsContact C-N 3.34Å; E227-Q229 PolarHBondContact O-N 3.13Å; Q229-S231 VanDerWaalsContact C-N 3.33Å; Q229-E232 PolarHBondContact O-N 3.23Å
230N64.3Low72.2Confident135 Ų135114.3 Ų114.372%0.72257%0.57SS**Hα-helixtrans-72.7-28.5174.7-66.6-36.1000112.4E227 S228E227-N230 PolarHBondContact O-N 3.34Å; S228-N230 PolarHBondContact O-N 3.16Å
231S59.7Low71.6Confident65 Ų65115.8 Ų115.846%0.45559%0.587SS.*Hα-helixtrans-84.3-13.6175.971.80000114.3E227 S228 Q229 R233 M234E227-S231 PolarHBondContact O-N 2.85Å; S228-S231 WeakPolarHBondContact CA-OG 3.39Å; S228-S231 CarbonylContact O-C 3.59Å; S228-S231 WeakPolarHBondContact O-CA 3.44Å; S228-S231 PolarHBondContact O-N 3.34Å; S228-S231 PolarHBondContact O-OG 3.41Å; Q229-S231 VanDerWaalsContact C-N 3.33Å; S231-R233 PolarHBondContact O-N 3.1Å; S231-M234 WeakPolarHBondContact O-CB 3.31Å; S231-M234 PolarHBondContact O-N 3.32Å
232E56.3Low71Confident162 Ų162123.6 Ų123.676%0.75762%0.618SS**THydrogen-bonded Turntrans-70.9-11.8179.2-156166.6-152.500112.5S228 Q229 M234S228-E232 PolarHBondContact O-N 3.04Å; Q229-E232 PolarHBondContact O-N 3.23Å; E232-M234 PolarHBondContact O-N 2.75Å
233R57.9Low70.5Confident235 Ų235122.3 Ų122.389%0.88764%0.636SS**THydrogen-bonded Turntrans-79.310.4165.7-71.5-175.5177.5176.70.5114.1S231 V235S231-R233 PolarHBondContact O-N 3.1Å; R233-V235 PolarHBondContact O-N 3.35Å
234M57.5Low70Confident148 Ų148117.1 Ų117.173%0.72962%0.616SS**SBendtrans-84105.4169.3-133.9178.877.900108.8S231 E232 T236S231-M234 WeakPolarHBondContact O-CB 3.31Å; S231-M234 PolarHBondContact O-N 3.32Å; E232-M234 PolarHBondContact O-N 2.75Å; M234-T236 PolarHBondContact O-N 2.76Å
235V61.3Low69.4Low131 Ų131116 Ų11679%0.79462%0.615SS**  trans-56.6101.4175.3178.10000108.9R233 V237R233-V235 PolarHBondContact O-N 3.35Å; V235-V237 PolarHBondContact O-N 2.77Å
236T61.8Low68.2Low122 Ų122119.7 Ų119.775%0.74865%0.646SS**  trans-75.5110.7170.450.70000108.1M234 G238M234-T236 PolarHBondContact O-N 2.76Å; T236-G238 PolarHBondContact O-N 2.77Å
237V62.3Low67.5Low124 Ų124122.8 Ų122.875%0.75266%0.658SS**PPolyproline II helixtrans-54.5126.6170.4-174.20000108.3V235V235-V237 PolarHBondContact O-N 2.77Å
238G69.1Low66.8Low55 Ų55124.8 Ų124.857%0.56766%0.662SS**PPolyproline II helixtrans-53.9140.8-177.800000111.8T236 W240T236-G238 PolarHBondContact O-N 2.77Å; G238-W240 VanDerWaalsContact O-CD1 3.31Å; G238-W240 PolarHBondContact O-N 3.02Å
239R67.2Low66.4Low245 Ų245131.8 Ų131.893%0.92569%0.693SS**PPolyproline II helixtrans-70.7117.5175.5179.5171.2179.11580.6109.3A241R239-A241 PolarHBondContact O-N 3.31Å
240W68.1Low66.3Low154 Ų154132.7 Ų132.758%0.58370%0.697SS**PPolyproline II helixtrans-64.9132.1-179.4-6713.4000111.2G238 M244 A246G238-W240 VanDerWaalsContact O-CD1 3.31Å; G238-W240 PolarHBondContact O-N 3.02Å; W240-M244 HydrophobicContact CB-CB 4.43Å; W240-A246 HydrophobicContact CH2-CB 3.67Å; W240-A246 HydrophobicContact CZ3-CB 4.21Å
241A72.9Confident66.2Low62 Ų62133 Ų13351%0.51270%0.697SS.*PPolyproline II helixtrans-78.3155.116900000110.1R239 G243 M244R239-A241 PolarHBondContact O-N 3.31Å; A241-G243 PolarHBondContact O-N 3.18Å; A241-M244 HydrophobicContact CB-CG 4.14Å; A241-M244 HydrophobicContact CB-SD 3.8Å; A241-M244 PolarHBondContact N-SD 3.45Å; A241-M244 PolarHBondContact O-N 3.36Å; A241-M244 VanDerWaalsContact O-N 3.1Å
242K74.2Confident66Low225 Ų225136.9 Ų136.998%0.97871%0.712SS**THydrogen-bonded Turntrans-63.4105.6177-171.1175.9-175.4179.50109.1
243G74.9Confident66.3Low82 Ų82136.2 Ų136.285%0.84571%0.714SS**THydrogen-bonded Turntrans121.3-3.1-176.800000115.4A241A241-G243 PolarHBondContact O-N 3.18Å
244M75.6Confident66.4Low78 Ų78128.9 Ų128.938%0.38470%0.703SS.*  trans-83.3125.3172.7-62.4179.275.200110W240 A241 Y248W240-M244 HydrophobicContact CB-CB 4.43Å; A241-M244 HydrophobicContact CB-CG 4.14Å; A241-M244 HydrophobicContact CB-SD 3.8Å; A241-M244 PolarHBondContact N-SD 3.45Å; A241-M244 PolarHBondContact O-N 3.36Å; A241-M244 VanDerWaalsContact O-N 3.1Å; M244-Y248 HydrophobicContact CE-CD1 3.85Å; M244-Y248 HydrophobicContact CE-CE1 4.14Å
245S73.1Confident66.3Low72 Ų72127.8 Ų127.850%0.50371%0.707SS.*  trans-85.7160.9175.452.40000111.5D247 Y248S245-D247 PolarHBondContact O-N 3.48Å; S245-Y248 WeakPolarHBondContact O-CB 3.3Å; S245-Y248 PolarHBondContact O-N 3.23Å
246A64.1Low66.2Low77 Ų77130.8 Ų130.864%0.63671%0.709SS**THydrogen-bonded Turntrans-63.3-23.517900000114W240W240-A246 HydrophobicContact CH2-CB 3.67Å; W240-A246 HydrophobicContact CZ3-CB 4.21Å
247D71.4Confident66.1Low148 Ų148130.8 Ų130.879%0.79171%0.712SS**THydrogen-bonded Turntrans-97.319.6-179.6-49.2-38.4000112.7S245 E249S245-D247 PolarHBondContact O-N 3.48Å; D247-E249 PolarHBondContact O-N 2.85Å
248Y69.3Low66.1Low150 Ų150133.9 Ų133.959%0.58872%0.718SS**  trans-75.790.8177.7-170.9-99000110.3M244 S245 E250M244-Y248 HydrophobicContact CE-CD1 3.85Å; M244-Y248 HydrophobicContact CE-CE1 4.14Å; S245-Y248 WeakPolarHBondContact O-CB 3.3Å; S245-Y248 PolarHBondContact O-N 3.23Å; Y248-E250 PolarHBondContact O-N 3.35Å
249E67.8Low65.9Low163 Ų163140.4 Ų140.476%0.76273%0.731SS**  trans-64.9117166.6-76-76.2166.900109.4D247 I251D247-E249 PolarHBondContact O-N 2.85Å; E249-I251 VanDerWaalsContact C-N 3.32Å; E249-I251 PolarHBondContact O-N 3.48Å
250E64.4Low65.7Low153 Ų153134.5 Ų134.572%0.71572%0.724SS**  trans-72.289.5173.4-169.8172.9-160.100108.3Y248 L252Y248-E250 PolarHBondContact O-N 3.35Å; E250-L252 PolarHBondContact O-N 3.26Å
251I62.4Low65.7Low141 Ų141136.8 Ų136.872%0.72374%0.738SS**  trans-62.5101.6171.8-57.3171.7000106.7E249 D253E249-I251 VanDerWaalsContact C-N 3.32Å; E249-I251 PolarHBondContact O-N 3.48Å; I251-D253 VanDerWaalsContact C-N 3.3Å; I251-D253 PolarHBondContact O-N 3.38Å
252L55.3Low65.6Low147 Ų147140.2 Ų140.277%0.7775%0.753SS**  trans-64.196.7168.6-64.4176.9000107.2E250 A254E250-L252 PolarHBondContact O-N 3.26Å; L252-A254 PolarHBondContact O-N 3.11Å
253D60.9Low65.5Low149 Ų149139.4 Ų139.480%0.79775%0.749SS**  trans-50.2112.4169.6-90.8-21.7000107.8I251I251-D253 VanDerWaalsContact C-N 3.3Å; I251-D253 PolarHBondContact O-N 3.38Å
254A60.5Low65.5Low81 Ų81142.8 Ų142.867%0.66975%0.747SS**  trans-51.2135.7179.800000109.3L252 K256L252-A254 PolarHBondContact O-N 3.11Å; A254-K256 PolarHBondContact O-N 3.48Å
255P55.9Low65.4Low124 Ų124144.3 Ų144.381%0.80576%0.762SS**  trans-57.7112.7-176.322.1-32.1000109.2
256K58.6Low65.4Low194 Ų194150.6 Ų150.684%0.84378%0.78SS**  trans-54.8126.7174.6-83175.7179.9166.50108.2A254 Q258A254-K256 PolarHBondContact O-N 3.48Å; K256-Q258 PolarHBondContact O-N 3.45Å
257P61Low66Low122 Ų122152.7 Ų152.779%0.79279%0.785SS**  trans-58.2126.2179.821.7-31.5000109.5K259P257-K259 PolarHBondContact O-N 3.14Å; P257-K259 VanDerWaalsContact O-N 3.15Å
258Q61.6Low65.7Low189 Ų189151 Ų15188%0.88378%0.78SS**  trans-65.3115.1177.7-63.3-175.712.800108.6K256K256-Q258 PolarHBondContact O-N 3.45Å
259K64Low65.6Low192 Ų192150.4 Ų150.484%0.83579%0.787SS**PPolyproline II helixtrans-61.4129171.9-66.9-177.6179.3-178.10108.6P257 K261P257-K259 PolarHBondContact O-N 3.14Å; P257-K259 VanDerWaalsContact O-N 3.15Å; K259-K261 PolarHBondContact O-N 2.7Å
260P63.3Low65.2Low121 Ų121155.6 Ų155.679%0.78681%0.807SS**PPolyproline II helixtrans-62.8128.3179.325-32.7000109.9T262P260-T262 PolarHBondContact O-N 3.13Å
261K68.6Low65.2Low202 Ų202155.7 Ų155.788%0.87881%0.812SS**PPolyproline II helixtrans-68.6117.1175.1-66.2178.3-179.4176.30108.7K259 K263K259-K261 PolarHBondContact O-N 2.7Å; K261-K263 PolarHBondContact O-N 2.73Å
262T69.9Low65.4Low135 Ų135156.5 Ų156.583%0.82882%0.817SS**PPolyproline II helixtrans-64.8124.6170.337.30000109.5P260 I264P260-T262 PolarHBondContact O-N 3.13Å; T262-I264 PolarHBondContact O-N 2.81Å
263K72.6Confident65.9Low207 Ų207157 Ų15790%0.982%0.819SS**PPolyproline II helixtrans-74.8122.1176.9-65.8179.7-178176.50108.7K261K261-K263 PolarHBondContact O-N 2.73Å
264I75.7Confident66.2Low154 Ų154157.5 Ų157.579%0.7982%0.821SS**PPolyproline II helixtrans-76126.2170.5-59.5165.9000107.5T262T262-I264 PolarHBondContact O-N 2.81Å
265P73.5Confident66.6Low109 Ų109162.3 Ų162.371%0.70883%0.83SS**PPolyproline II helixtrans-67.5135175.727.2-32.3000110.2V267P265-V267 PolarHBondContact O-N 3Å
266K72.1Confident67.3Low204 Ų204164.8 Ų164.889%0.88783%0.832SS**  trans-71.6114.5173.7-75.2178.3177.6176.30108.6V268K266-V268 PolarHBondContact O-N 2.94Å
267V76.1Confident67.9Low122 Ų122162.7 Ų162.774%0.73983%0.831SS**  trans-74.1117.5167.3-178.90000107.3P265 N269P265-V267 PolarHBondContact O-N 3Å; V267-N269 WeakPolarHBondContact CG1-OD1 3.3Å
268V67.2Low68.4Low111 Ų111165.8 Ų165.867%0.67383%0.834SS**  trans-96.7115.2168.4-179.30000106.1K266K266-V268 PolarHBondContact O-N 2.94Å
269N65.1Low69Low139 Ų139163.9 Ų163.974%0.74383%0.83SS**  trans-85.3129.3170.2-67.8-15.5000107.9V267V267-N269 WeakPolarHBondContact CG1-OD1 3.3Å
270F59.8Low69.4Low271 Ų271161.4 Ų161.4100%1.18983%0.829SS**  trans-760173.1-71.3-85.4000111.2

Retrieved 270 of 270 residues in 83.3 ms (Link to these results)