A0A096NV27_PAPAN Loading...

Zinc finger CCHC-type containing 3

AlphaFold DB , UniProt , Accession A0A096NV27, Species PAPAN (Papio anubis, Olive baboon), Gene ZCCHC3, Length 402 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
1M31.5Very low34.6Very low251 Ų251139 Ų139100%1.23684%0.843SS**  0158.90-65.9175.4177.300108
2A37.8Very low34.5Very low91 Ų91140.3 Ų140.375%0.75283%0.829SS**  trans-95.2165-177.100000112.3
3T39.3Very low34.5Very low148 Ų148148.3 Ų148.391%0.90884%0.836SS**  172.1142119.738.70000113.2
4G32.7Very low34.2Very low85 Ų85142.8 Ų142.888%0.87683%0.829SS**  trans87149.8159.200000117.7
5G35.7Very low34.1Very low90 Ų90147.5 Ų147.593%0.92883%0.827SS**  cis153.1117.7-12.300000115.4
6G30.2Very low34.2Very low73 Ų73145.4 Ų145.475%0.75382%0.822SS**  trans143.3132.4178.300000110.8
7A38.2Very low34.3Very low92 Ų92145.6 Ų145.676%0.7682%0.815SS**  75.2133.354.500000112.6
8E34.2Very low34.1Very low176 Ų176147.3 Ų147.382%0.82282%0.82SS**  cis-161.3166.38.5-140.1163.111400114.4
9E33.3Very low33.9Very low176 Ų176147.3 Ų147.382%0.82282%0.818SS**  trans69.6152.6152.6-154.2162.4118.500124.8
10E34.7Very low34.6Very low122 Ų122145.5 Ų145.557%0.5781%0.813SS**  trans-100.2151.9-175.5-174.8-141.3103.900113.1K12E10-K12 WeakPolarHBondContact OE1-CG 3.47Å; E10-K12 IonicContact OE1-NZ 2.66Å; E10-K12 PolarHBondContact OE1-NZ 2.89Å; E10-K12 IonicContact OE2-NZ 2.89Å; E10-K12 PolarHBondContact OE2-NZ 2.66Å
11R32.8Very low34.7Very low225 Ų225144.4 Ų144.485%0.84981%0.812SS**  trans-156.4142.1149.2-132.4155.3163.5-104.22.2117.5
12K33.8Very low34.5Very low154 Ų154137.2 Ų137.267%0.6779%0.793SS**  trans-101.1146.5-176.3-57.5174.917982.30113.9E10E10-K12 WeakPolarHBondContact OE1-CG 3.47Å; E10-K12 IonicContact OE1-NZ 2.66Å; E10-K12 PolarHBondContact OE1-NZ 2.89Å; E10-K12 IonicContact OE2-NZ 2.89Å; E10-K12 PolarHBondContact OE2-NZ 2.66Å
13R34.5Very low34.4Very low245 Ų245144.5 Ų144.593%0.92580%0.801SS**  trans-175.1154.4154.5-102.2163.9-167.3-101.5-0.3108.1
14G30.6Very low34.1Very low71 Ų71143.3 Ų143.373%0.73280%0.796SS**  cis169.7128.6-6.800000109.8
15R31.9Very low33.8Very low213 Ų213144.2 Ų144.280%0.80480%0.795SS**  trans-93.6137.1-170.1177-176.3-178-156.25.1113.6
16P35.8Very low34Very low114 Ų114144.6 Ų144.674%0.7479%0.789SS**  trans-100.7158.9154-0.221.2000112.7
17Q35.7Very low34Very low150 Ų150153 Ų15370%0.70180%0.798SS**  trans-109.5155.9161.5-61.6-174.219.200109.4
18L30.9Very low33.5Very low175 Ų175152.3 Ų152.392%0.91680%0.8SS**  trans-161.4158.7158.2-107.5162.5000110.6
19L29.9Very low33.3Very low148 Ų148153.4 Ų153.478%0.77581%0.805SS**  trans-157.8164.7-172.6-99168.4000108.5
20P47.9Very low33.2Very low111 Ų111154.1 Ų154.172%0.72181%0.808SS**  -104.1-162.4-56.135.5-19.4000110
21P37Very low33Very low122 Ų122152.9 Ų152.979%0.79282%0.818SS**  -153.3168.791.639.7-21.2000117.6
22A28.5Very low33Very low101 Ų101149.6 Ų149.684%0.83582%0.818SS**  trans65.9131.9154.700000122.1
23R34Very low32.9Very low244 Ų244145.5 Ų145.592%0.92182%0.819SS**  trans-85.7160.6160.1-75.4174.9152-175-8.2110.1
24P33.6Very low32.7Very low123 Ų123136.6 Ų136.680%0.79980%0.804SS**  -146173.3101.940.2-26.8000115.6
25A27Very low33Very low103 Ų103143.8 Ų143.885%0.85181%0.809SS**  trans66133.2164.500000118.8
26A39.6Very low33.5Very low99 Ų99142.1 Ų142.182%0.81881%0.81SS**  trans-89.9149.2173.600000111.6
27R29.7Very low33.9Very low250 Ų250145.4 Ų145.494%0.94381%0.813SS**  trans-124.6147.8152.5-76.2-171.8167.6-146-4107.4
28G28.5Very low34.3Very low76 Ų76143.5 Ų143.578%0.78481%0.805SS**  trans-67.3149.9-17000000113.3E30G28-E30 PolarHBondContact O-N 3.45Å
29E29.4Very low34.9Very low199 Ų199137.5 Ų137.593%0.9379%0.786SS**  trans-69.5103.1162.6-70.4159.384.500108.5A31E29-A31 PolarHBondContact O-N 2.69Å
30E31.3Very low35.5Very low192 Ų192139 Ų13990%0.89778%0.781SS**  trans-69.1114.9151.5-77.9-170.499.700106.8G28 D32G28-E30 PolarHBondContact O-N 3.45Å; E30-D32 PolarHBondContact O-N 2.95Å; E30-D32 VanDerWaalsContact O-N 3.08Å
31A30Very low35.1Very low95 Ų95137.8 Ų137.879%0.78578%0.781SS**  trans-68.5107.4177.200000109E29 G33E29-A31 PolarHBondContact O-N 2.69Å; A31-G33 PolarHBondContact O-N 2.83Å
32D33Very low35.2Very low157 Ų157136.4 Ų136.484%0.8476%0.764SS**  trans-64.485.6167-178.119000109E30 G34E30-D32 PolarHBondContact O-N 2.95Å; E30-D32 VanDerWaalsContact O-N 3.08Å; D32-G34 PolarHBondContact O-N 3.14Å
33G31.5Very low36.3Very low68 Ų68134.9 Ų134.970%0.70174%0.744SS**  trans-7453.2-179.400000111.8A31 R35A31-G33 PolarHBondContact O-N 2.83Å; G33-R35 PolarHBondContact O-N 3.18Å
34G30.2Very low36.9Very low58 Ų58127.8 Ų127.860%0.59873%0.728SS**  trans-60.774.8176.600000111.9D32 E36D32-G34 PolarHBondContact O-N 3.14Å; G34-E36 VanDerWaalsContact C-N 3.34Å; G34-E36 PolarHBondContact O-N 2.98Å
35R38.8Very low37.3Very low222 Ų222127.1 Ų127.184%0.83871%0.712SS**  trans-67.490.3179.6-178.1-178.4176-167.4-1.6109.1G33 K37G33-R35 PolarHBondContact O-N 3.18Å; R35-K37 PolarHBondContact O-N 3.12Å
36E41.8Very low38.1Very low177 Ų177124.6 Ų124.683%0.82768%0.684SS**  trans-47.3116.1175.2-69.4-168.3109.500110G34 M38G34-E36 VanDerWaalsContact C-N 3.34Å; G34-E36 PolarHBondContact O-N 2.98Å; E36-M38 VanDerWaalsContact C-N 3.3Å; E36-M38 PolarHBondContact O-N 2.82Å
37K43.8Very low38.3Very low183 Ų183126.1 Ų126.180%0.79668%0.678SS**  trans-7187.7-177.5-70.1-175.7179.6-179.10108.7R35 G39 E233R35-K37 PolarHBondContact O-N 3.12Å; K37-G39 PolarHBondContact O-N 3.4Å; K37-E233 IonicContact NZ-OE2 2.62Å
38M45.2Very low39Very low110 Ų110117.4 Ų117.454%0.54266%0.659SS.*  trans-44.7128.6-179.9-81.5-174.9-85.400111.9E36 Q42 V43 N46E36-M38 VanDerWaalsContact C-N 3.3Å; E36-M38 PolarHBondContact O-N 2.82Å; M38-Q42 HydrophobicContact CB-CB 4.46Å; M38-Q42 HydrophobicContact SD-CG 4.06Å; M38-V43 HydrophobicContact CB-CG2 4.1Å; M38-V43 WeakPolarHBondContact O-CG2 3.38Å; M38-N46 PolarHBondContact SD-ND2 3.01Å; M38-N46 VanDerWaalsContact SD-ND2 3.42Å
39G43.5Very low39.5Very low50 Ų50118.3 Ų118.352%0.51564%0.643SS.*  trans-59.7147.4-179.700000112.6K37 A41 Q42 V43K37-G39 PolarHBondContact O-N 3.4Å; G39-A41 VanDerWaalsContact C-N 3.25Å; G39-A41 PolarHBondContact O-N 2.91Å; G39-Q42 WeakPolarHBondContact O-CA 3.35Å; G39-Q42 WeakPolarHBondContact O-CB 2.94Å; G39-Q42 PolarHBondContact O-N 3.42Å; G39-V43 PolarHBondContact O-N 3.38Å
40W40.7Very low40Very low179 Ų179117.1 Ų117.168%0.67864%0.635SS**Hα-helixtrans-46.8-40-172.4-83.885.1000115.4Q42 V43 V44W40-Q42 VanDerWaalsContact C-N 3.31Å; W40-Q42 PolarHBondContact O-N 3.02Å; W40-V43 PolarHBondContact O-N 3.33Å; W40-V44 WeakPolarHBondContact O-CG2 3.44Å; W40-V44 PolarHBondContact O-N 3.5Å
41A40.3Very low40.6Very low86 Ų86116.2 Ų116.271%0.71163%0.628SS**Hα-helixtrans-62.4-37.1177.600000112.9G39 K45G39-A41 VanDerWaalsContact C-N 3.25Å; G39-A41 PolarHBondContact O-N 2.91Å; A41-K45 WeakPolarHBondContact O-CB 3.42Å; A41-K45 PolarHBondContact O-N 3.2Å; A41-K45 VanDerWaalsContact O-N 3.15Å
42Q38.1Very low40.8Very low93 Ų93114.6 Ų114.644%0.43562%0.621SS.*Hα-helixtrans-72.7-40177-162.167.430.400111.2M38 G39 W40 V44 K45 N46M38-Q42 HydrophobicContact CB-CB 4.46Å; M38-Q42 HydrophobicContact SD-CG 4.06Å; G39-Q42 WeakPolarHBondContact O-CA 3.35Å; G39-Q42 WeakPolarHBondContact O-CB 2.94Å; G39-Q42 PolarHBondContact O-N 3.42Å; W40-Q42 VanDerWaalsContact C-N 3.31Å; W40-Q42 PolarHBondContact O-N 3.02Å; Q42-V44 PolarHBondContact O-N 3.3Å; Q42-K45 PolarHBondContact O-N 2.93Å; Q42-N46 PolarHBondContact NE2-OD1 3.39Å; Q42-N46 WeakPolarHBondContact O-CB 3.46Å; Q42-N46 PolarHBondContact O-N 3.08Å; Q42-N46 PolarHBondContact O-OD1 2.99Å; Q42-N46 VanDerWaalsContact O-OD1 3.07Å
43V51.9Low40.8Very low68 Ų68115.2 Ų115.241%0.41262%0.618SS.*Hα-helixtrans-59.6-46.5175.5179.40000111M38 G39 W40 K45 N46 L47M38-V43 HydrophobicContact CB-CG2 4.1Å; M38-V43 WeakPolarHBondContact O-CG2 3.38Å; G39-V43 PolarHBondContact O-N 3.38Å; W40-V43 PolarHBondContact O-N 3.33Å; V43-K45 VanDerWaalsContact C-N 3.31Å; V43-K45 PolarHBondContact O-N 3.44Å; V43-N46 PolarHBondContact O-N 2.99Å; V43-L47 WeakPolarHBondContact O-CB 3.39Å; V43-L47 PolarHBondContact O-N 3.27Å
44V48.3Very low40.7Very low96 Ų96120.7 Ų120.758%0.58262%0.623SS**Hα-helixtrans-61.5-38.5175.9171.60000111.7W40 Q42 A48W40-V44 WeakPolarHBondContact O-CG2 3.44Å; W40-V44 PolarHBondContact O-N 3.5Å; Q42-V44 PolarHBondContact O-N 3.3Å; V44-A48 PolarHBondContact O-N 3.47Å
45K40.8Very low40.9Very low109 Ų109127.9 Ų127.947%0.47463%0.633SS.*Hα-helixtrans-67.3-50.2178.7-157.7-177.2-177-101.20111.8A41 Q42 V43 L47 A48 E49A41-K45 WeakPolarHBondContact O-CB 3.42Å; A41-K45 PolarHBondContact O-N 3.2Å; A41-K45 VanDerWaalsContact O-N 3.15Å; Q42-K45 PolarHBondContact O-N 2.93Å; V43-K45 VanDerWaalsContact C-N 3.31Å; V43-K45 PolarHBondContact O-N 3.44Å; K45-L47 PolarHBondContact O-N 2.88Å; K45-A48 WeakPolarHBondContact O-CB 3.36Å; K45-A48 PolarHBondContact O-N 3.41Å; K45-E49 WeakPolarHBondContact CE-OE1 3.39Å; K45-E49 IonicContact NZ-OE1 2.7Å; K45-E49 PolarHBondContact NZ-OE1 3.21Å; K45-E49 WeakPolarHBondContact O-CG 3.34Å; K45-E49 PolarHBondContact O-N 2.98Å
46N43Very low40.6Very low50 Ų50125.3 Ų125.327%0.26763%0.63SS.*Hα-helixtrans-60.5-32.9178-62.46.2000111.8M38 Q42 V43 E49 K50M38-N46 PolarHBondContact SD-ND2 3.01Å; M38-N46 VanDerWaalsContact SD-ND2 3.42Å; Q42-N46 PolarHBondContact NE2-OD1 3.39Å; Q42-N46 WeakPolarHBondContact O-CB 3.46Å; Q42-N46 PolarHBondContact O-N 3.08Å; Q42-N46 PolarHBondContact O-OD1 2.99Å; Q42-N46 VanDerWaalsContact O-OD1 3.07Å; V43-N46 PolarHBondContact O-N 2.99Å; N46-E49 PolarHBondContact O-N 3.34Å; N46-K50 WeakPolarHBondContact O-CB 3.47Å; N46-K50 PolarHBondContact O-N 3.35Å
47L45.5Very low40Very low130 Ų130122.2 Ų122.268%0.68163%0.625SS**Hα-helixtrans-71.6-27.7176.9-157.377.8000113V43 K45V43-L47 WeakPolarHBondContact O-CB 3.39Å; V43-L47 PolarHBondContact O-N 3.27Å; K45-L47 PolarHBondContact O-N 2.88Å
48A42.7Very low39.3Very low67 Ų67124 Ų12455%0.55463%0.627SS**Hα-helixtrans-77.6-43.6170.900000111.2V44 K45 K50 K51 G52V44-A48 PolarHBondContact O-N 3.47Å; K45-A48 WeakPolarHBondContact O-CB 3.36Å; K45-A48 PolarHBondContact O-N 3.41Å; A48-K50 PolarHBondContact O-N 3.38Å; A48-K51 PolarHBondContact O-N 2.92Å; A48-G52 PolarHBondContact O-N 2.52Å
49E39Very low38.6Very low96 Ų96126.4 Ų126.445%0.44964%0.641SS.*Hα-helixtrans-62.4-42.9179.8-70.9166.517300111.6K45 N46 K51 G52K45-E49 WeakPolarHBondContact CE-OE1 3.39Å; K45-E49 IonicContact NZ-OE1 2.7Å; K45-E49 PolarHBondContact NZ-OE1 3.21Å; K45-E49 WeakPolarHBondContact O-CG 3.34Å; K45-E49 PolarHBondContact O-N 2.98Å; N46-E49 PolarHBondContact O-N 3.34Å; E49-K51 PolarHBondContact O-N 2.86Å; E49-K51 VanDerWaalsContact O-N 3.1Å; E49-G52 PolarHBondContact O-N 2.69Å
50K41.5Very low38Very low174 Ų174129.9 Ų129.976%0.75766%0.655SS**THydrogen-bonded Turntrans-62.3-14.4172.7-91.7-163.6170.3-167.90115.3N46 A48N46-K50 WeakPolarHBondContact O-CB 3.47Å; N46-K50 PolarHBondContact O-N 3.35Å; A48-K50 PolarHBondContact O-N 3.38Å
51K44Very low37.4Very low172 Ų172132 Ų13275%0.74866%0.663SS**THydrogen-bonded Turntrans-92.4-6.7171.2-81.1-166.7169-168.50113.8A48 E49A48-K51 PolarHBondContact O-N 2.92Å; E49-K51 PolarHBondContact O-N 2.86Å; E49-K51 VanDerWaalsContact O-N 3.1Å
52G34.1Very low36.8Very low61 Ų61139.5 Ų139.563%0.62967%0.672SS**THydrogen-bonded Turntrans-81.7-19.4172.800000114A48 E49 F54A48-G52 PolarHBondContact O-N 2.52Å; E49-G52 PolarHBondContact O-N 2.69Å; G52-F54 PolarHBondContact O-N 2.74Å
53E33.1Very low36.4Very low170 Ų170143.1 Ų143.179%0.79469%0.69SS**  trans-84.245-174.9-62-164.5114.900114.3
54F28.9Very low35.5Very low184 Ų184149.4 Ų149.481%0.80771%0.714SS**  trans-114.585.2157.4-166.1-97.4000109.7G52G52-F54 PolarHBondContact O-N 2.74Å
55R33.6Very low34.6Very low209 Ų209154.3 Ų154.379%0.78973%0.731SS**  trans-81.9122-177.5-168.4-176.1-164.2-178.87.9110
56E31.8Very low34.1Very low167 Ų167155 Ų15578%0.7875%0.75SS**  trans-54.1133.2177-66.4-179.410600112.1R58E56-R58 PolarHBondContact O-N 3.02Å; E56-R58 VanDerWaalsContact O-N 3.14Å
57P30.1Very low33.5Very low113 Ų113156.5 Ų156.573%0.73478%0.777SS**  trans-63.1113.3167.4-20.433000109.9L59P57-L59 PolarHBondContact O-N 2.93Å; P57-L59 VanDerWaalsContact O-N 3.11Å
58R28.8Very low32.6Very low220 Ų220154.4 Ų154.483%0.8379%0.786SS**  trans-61.7114.7173.3-73.6176.9170.9167.6-6.5109.5E56E56-R58 PolarHBondContact O-N 3.02Å; E56-R58 VanDerWaalsContact O-N 3.14Å
59L30.2Very low32Very low161 Ų161155.2 Ų155.284%0.84380%0.802SS**  trans-59.3135.2166.6-67.9173.4000109.3P57 R61P57-L59 PolarHBondContact O-N 2.93Å; P57-L59 VanDerWaalsContact O-N 3.11Å; L59-R61 PolarHBondContact O-N 2.97Å
60P31.5Very low31.4Very low123 Ų123154.8 Ų154.880%0.79982%0.823SS**  trans-66.6129.6179.226.6-33.1000110.3R62P60-R62 PolarHBondContact O-N 3.45Å; P60-R62 VanDerWaalsContact O-N 3.16Å
61R28.3Very low30.8Very low224 Ų224150.6 Ų150.685%0.84583%0.829SS**  trans-59.5113.6171.7174.3179.9176172.6-3.5108.7L59L59-R61 PolarHBondContact O-N 2.97Å
62R27.6Very low30.2Very low242 Ų242148.3 Ų148.391%0.91383%0.834SS**  trans-78.9125.2171-160.8175.1-168.2173.23.1108.3P60P60-R62 PolarHBondContact O-N 3.45Å; P60-R62 VanDerWaalsContact O-N 3.16Å
63E30.3Very low30Very low170 Ų170150.2 Ų150.279%0.79484%0.844SS**  trans-81.8139.6-178.7-68.5167134.300110.3
64E32Very low29.9Very low200 Ų200145.9 Ų145.994%0.93585%0.845SS**  trans-89.4110.4169.7-69.1-177.5105.300108.3
65E29.4Very low30.1Very low198 Ų198144 Ų14493%0.92585%0.848SS**  trans-129.9150.5160.3-112.6-166.1118.800110.6
66S30.6Very low29.9Very low125 Ų125137.6 Ų137.687%0.87485%0.848SS**  trans-107.6130.2-157.158.80000114.2
67G29.6Very low30.1Very low81 Ų81133.3 Ų133.384%0.83585%0.848SS**  trans142.7147.916900000111.9
68G28.3Very low30.7Very low85 Ų85134.1 Ų134.188%0.87685%0.853SS**  cis155.2125.2-3.900000110.8
69G28.4Very low30.9Very low85 Ų85128.9 Ų128.988%0.87686%0.857SS**  trans109.2135.6-178.900000113.3
70G28Very low30.9Very low87 Ų87124.5 Ų124.590%0.89785%0.851SS**  trans-94.3176.6-175.900000114.1
71G28.3Very low31.1Very low85 Ų85127.5 Ų127.588%0.87686%0.859SS**  trans-177130.7173.400000111.4
72S30.8Very low31.3Very low124 Ų124121.6 Ų121.687%0.86786%0.858SS**  trans-105.9129.5-177.9560000112.2
73A30.7Very low31.9Very low102 Ų102114.5 Ų114.584%0.84385%0.851SS**  trans-158.2148.9156.600000110.3
74G31Very low32.2Very low78 Ų78112.2 Ų112.280%0.80485%0.851SS**  trans-86.8164.6175.900000113
75V33.4Very low32.3Very low145 Ų145110 Ų11088%0.87985%0.846SS**  trans-123.3118176.6-170.10000109.4
76G29.8Very low32.8Very low75 Ų75108.1 Ų108.177%0.77384%0.841SS**PPolyproline II helixtrans-86.6135.8167.600000110.5
77G35.6Very low33.1Very low77 Ų77105.1 Ų105.179%0.79483%0.83SS**PPolyproline II helixtrans-101.8140.3177.700000112.9
78P42Very low33.5Very low129 Ų129108.7 Ų108.784%0.83883%0.83SS**PPolyproline II helixtrans-86.3152.716334.7-31.8000111.4
79A33.9Very low33.8Very low110 Ų110113.6 Ų113.691%0.90983%0.827SS**PPolyproline II helixtrans-83.3154.4176.400000112.4
80G30.2Very low34.4Very low69 Ų69115.3 Ų115.371%0.71182%0.823SS**  trans-166.570.3-174.400000117.3
81L35Very low35Very low187 Ų187117.3 Ų117.398%0.97982%0.82SS**  trans68.4164.8157.9-53.5177.1000117.9
82A32.8Very low35.3Very low99 Ų99118 Ų11882%0.81882%0.818SS**  trans-111.3158.8-158.600000114.5
83A39Very low35.3Very low93 Ų93115.7 Ų115.777%0.76981%0.813SS**PPolyproline II helixtrans-79.7150.3174.200000112.2
84P38Very low35.5Very low123 Ų123122.9 Ų122.980%0.79982%0.819SS**PPolyproline II helixtrans-73.8159.9174.731.9-35.6000112.8
85D32.7Very low35.4Very low152 Ų152122.9 Ų122.981%0.81382%0.819SS**PPolyproline II helixtrans-71.8154.8-173.9-152-26.1000113.4G87D85-G87 PolarHBondContact OD1-N 3.21Å
86L40.3Very low35.3Very low159 Ų159123.1 Ų123.183%0.83282%0.815SS**  trans-128.947.5178.9-80.1176.7000111.8
87G37.5Very low35.7Very low62 Ų62125.2 Ų125.264%0.63982%0.815SS**  trans-99.175.6175.600000114.4D85D85-G87 PolarHBondContact OD1-N 3.21Å
88D38.1Very low35.6Very low157 Ų157131.5 Ų131.584%0.8482%0.821SS**  trans-167.390.6149.5-112.8-28.7000113.2
89F34.3Very low35Very low187 Ų187128.9 Ų128.982%0.8282%0.817SS**  trans-140.1130.5163.6-82.2-80.8000109.4
90P40.7Very low34.8Very low121 Ų121135.9 Ų135.979%0.78682%0.82SS**PPolyproline II helixtrans-69.2144.1-178.527.9-34.4000111.7
91P40.5Very low34.6Very low129 Ų129142.6 Ų142.684%0.83882%0.824SS**PPolyproline II helixtrans-69.4133.3-171.627-34.9000112.7G93P91-G93 PolarHBondContact O-N 2.93Å
92A34.2Very low34.4Very low100 Ų100145.6 Ų145.683%0.82682%0.822SS**PPolyproline II helixtrans-64.6131.3172.600000111.2
93G31Very low34.2Very low75 Ų75146.7 Ų146.777%0.77381%0.814SS**PPolyproline II helixtrans-61.1142177.800000112.6P91 G95P91-G93 PolarHBondContact O-N 2.93Å; G93-G95 PolarHBondContact O-N 2.93Å
94R35.3Very low34Very low254 Ų254148.5 Ų148.596%0.95882%0.818SS**PPolyproline II helixtrans-62.4133.4179.4-64179.3-178.6-90.40.4110.8
95G29.2Very low33.6Very low78 Ų78147.8 Ų147.880%0.80482%0.822SS**PPolyproline II helixtrans-81.7153.5172.300000113G93G93-G95 PolarHBondContact O-N 2.93Å
96D31.3Very low33.3Very low150 Ų150143.9 Ų143.980%0.80282%0.818SS**  trans-112.4121178.7-155.9-53.5000110.6K98D96-K98 PolarHBondContact O-N 2.95Å
97P37.6Very low32.7Very low118 Ų118145.2 Ų145.277%0.76682%0.82SS**  trans-93.893-161.735.1-36.1000114.7
98K33.5Very low32.2Very low210 Ų210146.9 Ų146.991%0.91383%0.828SS**  trans-129.481.4164.8-89.2177.5179.7162.20113.9D96D96-K98 PolarHBondContact O-N 2.95Å
99G29.2Very low31.7Very low73 Ų73144.3 Ų144.375%0.75383%0.829SS**  trans-155.3106.8166.700000111R101G99-R101 PolarHBondContact O-N 3.29Å
100R30.3Very low31.4Very low258 Ų258141.4 Ų141.497%0.97482%0.822SS**  trans-67.6127.1177.1-76.6-175.5177.3-121.84.5110
101R26.6Very low31.2Very low210 Ų210141.4 Ų141.479%0.79282%0.821SS**  trans-61.1144.6163.7-68.5-178179.2-91.2-1.2110.4G99G99-R101 PolarHBondContact O-N 3.29Å
102R29.9Very low30.7Very low249 Ų249145.6 Ų145.694%0.9482%0.821SS**  trans-143.594157.7-97.5-168171.6-174.1-2.2107.4
103D28.8Very low30.5Very low122 Ų122149.5 Ų149.565%0.65282%0.819SS**  trans-78.8154.1168.1-61.7-74.7000109.5
104P35.5Very low30.5Very low131 Ų131154.4 Ų154.485%0.85182%0.819SS**  trans-89.7153.9-166.634.7-35.8000114.1
105A28.8Very low30.1Very low108 Ų108152.1 Ų152.189%0.89382%0.816SS**  trans-139.5149.3161.200000108.5
106G27Very low29.9Very low71 Ų71151.6 Ų151.673%0.73281%0.811SS**  trans-122.7-168.7-165.800000116.2
107E26.3Very low29.7Very low186 Ų186149.2 Ų149.287%0.86981%0.812SS**  trans54123.4163.1-119.776.5153.600122.7
108A28.4Very low29.2Very low97 Ų97148.3 Ų148.380%0.80281%0.814SS**  trans50.8112.4138.700000123.2
109A26.9Very low28.9Very low104 Ų104147.3 Ų147.386%0.8681%0.813SS**  trans-161.5144.313100000112.3
110D29.1Very low28.8Very low126 Ų126148 Ų14867%0.67481%0.812SS**  trans-110.3137.6161.217914.3000106.9R112D110-R112 PolarHBondContact OD1-N 2.87Å
111P35.9Very low28.6Very low120 Ų120139.6 Ų139.678%0.77981%0.805SS**  -142.7132.8118.435.4-21.5000115.1
112R30.2Very low28.8Very low217 Ų217140 Ų14082%0.81981%0.807SS**  trans-61.8148.4163.3-55.1173.3176.4-165.9-5111.8D110D110-R112 PolarHBondContact OD1-N 2.87Å
113K29.7Very low29Very low183 Ų183138.3 Ų138.380%0.79680%0.8SS**  146.6110.6106.7-168.8176.1-173.5-179.10117.2
114K30.3Very low29.1Very low177 Ų177141.8 Ų141.877%0.7781%0.809SS**  trans78.4135.9145.2-80.5-172.6174.3-175.60123.7
115K27.1Very low28.8Very low207 Ų207143.5 Ų143.590%0.980%0.804SS**  trans70.7142.9150.9-74.5-173.2169.5-168.20118.2
116G25.6Very low28.8Very low67 Ų67143.2 Ų143.269%0.69180%0.801SS**  cis172-179.5-5.200000113.6
117A26.8Very low28.8Very low100 Ų100147.1 Ų147.183%0.82680%0.8SS**  trans68.9129.1-172.900000113.6
118A26.7Very low28.8Very low98 Ų98143.2 Ų143.281%0.8180%0.8SS**  79.6143.558.400000112.4
119E27.2Very low28.7Very low190 Ų190143 Ų14389%0.88880%0.798SS**  cis-140.4-152.516.1-147.6-154.5102.200114.4
120A27.1Very low28.6Very low88 Ų88142.8 Ų142.873%0.72780%0.797SS**  trans-97.7158.9-155.200000117.1
121G27.2Very low28.5Very low81 Ų81141.7 Ų141.784%0.83581%0.805SS**  trans-147.2129.8162.200000110
122R30.1Very low28Very low219 Ų219139.9 Ų139.983%0.82680%0.8SS**  trans-139.2155.4-161.6-165.7-172.6-175.5-161.33.9112.8
123R33.7Very low27.8Very low212 Ų212138.3 Ų138.380%0.880%0.804SS**  trans84.5151.5169-47.1166.9-169.1-144.42.6114
124K31.6Very low27.7Very low195 Ų195134.4 Ų134.485%0.84881%0.806SS**  cis-161.4134.4-22.2-113-175.3176.1-172.80108.7
125K28.8Very low27.6Very low168 Ų168132.2 Ų132.273%0.7381%0.808SS**  trans16.5130134.8-161.8-164-175.3-156.50120.4E127K125-E127 WeakPolarHBondContact CE-OE2 3.44Å; K125-E127 IonicContact NZ-OE2 2.59Å; K125-E127 PolarHBondContact NZ-OE2 2.86Å
126A28.6Very low27.9Very low102 Ų102128.5 Ų128.584%0.84381%0.805SS**  trans-146.6159.314600000110.3
127E27.2Very low27.8Very low152 Ų152129.6 Ų129.671%0.7181%0.807SS**  trans-133.2144.5179.7-68.616573.800110K125K125-E127 WeakPolarHBondContact CE-OE2 3.44Å; K125-E127 IonicContact NZ-OE2 2.59Å; K125-E127 PolarHBondContact NZ-OE2 2.86Å
128A27Very low28Very low104 Ų104134.5 Ų134.586%0.8680%0.804SS**  trans170.9171.4152.400000110.6
129A25.4Very low28.4Very low92 Ų92135.9 Ų135.976%0.7681%0.805SS**  178.8112.9-65.300000110.2
130A25.4Very low28.4Very low101 Ų101128.6 Ų128.684%0.83578%0.781SS**  trans55.7142.8153.700000123.8
131A26.5Very low28.4Very low103 Ų103133.2 Ų133.285%0.85179%0.788SS**  trans69.7162.2149.200000120.7
132A26Very low28.4Very low82 Ų82133.9 Ų133.968%0.67879%0.785SS**  cis-170.5163.3-38.100000111.6
133M27.2Very low28.4Very low183 Ų183132.5 Ų132.590%0.90179%0.788SS**  trans77.6147158.1-58.8-55.9-174.300123
134A27.3Very low28.1Very low102 Ų102129.7 Ų129.784%0.84379%0.789SS**  trans88.3135.6146.100000122.5
135T27.1Very low27.9Very low130 Ų130124.1 Ų124.180%0.79878%0.779SS**  trans-116.5161.7173.8-22.50000109.8
136P33.3Very low28Very low129 Ų129121.1 Ų121.184%0.83879%0.786SS**  -139.4-177.6124.235.6-21.3000113.4
137A24.9Very low27.9Very low90 Ų90124.9 Ų124.974%0.74479%0.786SS**  trans-150.2161.6-159.300000117.4
138R29.3Very low27.9Very low203 Ų203128.7 Ų128.777%0.76679%0.794SS**  trans64.8-178.7152.7-104.6-173151.5-176.4-5.5117.3G140R138-G140 VanDerWaalsContact CZ-O 3.3Å; R138-G140 PolarHBondContact NE-O 3.19Å; R138-G140 PolarHBondContact NH2-O 2.76Å
139P35.4Very low28.3Very low128 Ų128128.5 Ų128.583%0.83178%0.784SS**  cis-73.8-168.72.835.2-39.1000113.9
140G26.7Very low28.5Very low37 Ų37132.7 Ų132.738%0.38179%0.793SS.*  cis-139.2-132.1-10.700000109.3R138R138-G140 VanDerWaalsContact CZ-O 3.3Å; R138-G140 PolarHBondContact NE-O 3.19Å; R138-G140 PolarHBondContact NH2-O 2.76Å
141E27.6Very low28.8Very low184 Ų184136.5 Ų136.586%0.8679%0.793SS**  cis-158.6161.1-8-62.9-177.5116.900104.6
142A27.8Very low28.9Very low95 Ų95139.2 Ų139.279%0.78579%0.793SS**  cis91.1114.925.600000113.5
143E30.3Very low29.2Very low190 Ų190144.1 Ų144.189%0.88880%0.802SS**  cis-149.817427.6-79.8-167.9156.500111.4
144D27.4Very low29.4Very low154 Ų154140.9 Ų140.982%0.82480%0.795SS**  cis-155.6-158.9-22.5-177.2-114.7000108.6
145A27.8Very low29.5Very low77 Ų77140.5 Ų140.564%0.63679%0.791SS**  trans-121.9168-144.400000117.8
146A29.4Very low29.5Very low105 Ų105138.2 Ų138.287%0.86879%0.794SS**  trans-155.7124.7149.400000110.4
147E26.4Very low29.4Very low182 Ų182135.8 Ų135.885%0.8579%0.785SS**  trans-94.5158.3-178.2-62.9-172.894.700113.7
148R28.5Very low29.5Very low232 Ų232134 Ų13488%0.87577%0.774SS**  177.1164110.2-91.2-174.482.1-141.81.2111.8
149P35.3Very low30.1Very low100 Ų100131.4 Ų131.465%0.64978%0.784SS**  trans-103.9161.2-135.638.3-38.4000116.4
150L30Very low30.4Very low180 Ų180128.8 Ų128.894%0.94278%0.781SS**  trans-116.5161.7155-11281.6000110.8
151Q31.5Very low31.3Very low181 Ų181135.5 Ų135.585%0.84680%0.799SS**  trans-102.6171.2-164.8-66.2157-10.100112.6E153Q151-E153 PolarHBondContact O-N 3.39Å
152D28.2Very low32.4Very low160 Ų160129 Ų12986%0.85678%0.782SS**  trans-28.3118.6-177.5-72-114.4000117.6P154D152-P154 WeakPolarHBondContact O-CD 3.49Å
153E32.3Very low34.2Very low185 Ų185131.2 Ų131.286%0.86477%0.77SS**  trans-98.4103163.8-96.8-78.2101.400109.9Q151 A155Q151-E153 PolarHBondContact O-N 3.39Å; E153-A155 PolarHBondContact O-N 3.22Å
154P31.7Very low36.7Very low114 Ų114125.5 Ų125.574%0.7474%0.743SS**  trans-77.494-17730-34.9000113D152D152-P154 WeakPolarHBondContact O-CD 3.49Å
155A29Very low39.2Very low94 Ų94119.3 Ų119.378%0.77771%0.709SS**  trans53.3102.4150.100000118.3E153E153-A155 PolarHBondContact O-N 3.22Å
156G27.3Very low41.9Very low82 Ų82115.6 Ų115.685%0.84568%0.679SS**  trans-27.4127.6170.400000117.8G158G156-G158 PolarHBondContact O-N 2.94Å
157A29.8Very low44.5Very low79 Ų79110.9 Ų110.965%0.65364%0.639SS**  trans-64.5114.5-178.600000113.1
158G28Very low47.5Very low51 Ų51102.2 Ų102.253%0.52660%0.598SS.*  trans-63.516017600000114.9G156 G160G156-G158 PolarHBondContact O-N 2.94Å; G158-G160 PolarHBondContact O-N 2.83Å
159P41Very low50.1Low149 Ų14992.1 Ų92.197%0.96856%0.563SS**THydrogen-bonded Turntrans-76.784.1-170.632.1-36.7000112.6
160G42Very low52.6Low74 Ų7488.3 Ų88.376%0.76354%0.536SS*.THydrogen-bonded Turntrans-177.8-3.4176.500000118.8G158 G162G158-G160 PolarHBondContact O-N 2.83Å; G160-G162 PolarHBondContact O-N 2.77Å
161K46.6Very low55Low177 Ų17785.2 Ų85.277%0.7752%0.517SS*.  trans-65.2103.2-176.8-72.3-173.9177.1179.70111.8
162G50.8Low57.3Low49 Ų4977.1 Ų77.151%0.50548%0.482SS..  trans-58.1134.8169.500000110.4G160 F164G160-G162 PolarHBondContact O-N 2.77Å; G162-F164 PolarHBondContact O-N 3.21Å
163R65.3Low59.7Low140 Ų14075.5 Ų75.553%0.52847%0.473SS..  trans-78.8110.5-179.8-65.1-179.465.21244.3109L165 S214R163-L165 WeakPolarHBondContact O-CB 3.42Å; R163-L165 PolarHBondContact O-N 3.21Å; R163-S214 PolarHBondContact NH2-OG 3.1Å
164F82Confident61.2Low71 Ų7173.4 Ų73.431%0.31146%0.464SS..  trans-67.994.3173.9-47.8-59.7000108.7G162 S214 F215 A218 L221G162-F164 PolarHBondContact O-N 3.21Å; F164-S214 CarbonylContact O-C 3.56Å; F164-S214 WeakPolarHBondContact O-CA 3.4Å; F164-F215 HydrophobicContact CB-CB 4.28Å; F164-F215 PolarHBondContact O-N 3.37Å; F164-A218 HydrophobicContact CD1-CB 3.86Å; F164-A218 HydrophobicContact CE1-CB 3.56Å; F164-A218 HydrophobicContact CZ-CB 4.06Å; F164-L221 HydrophobicContact CB-CB 4.07Å; F164-L221 HydrophobicContact CB-CD2 3.92Å; F164-L221 HydrophobicContact CD1-CD2 4.46Å
165L80.5Confident63Low23 Ų2372.2 Ų72.212%0.1247%0.472CS..EExtended strand (participates in β ladder)trans-127.8146.8-163.8-161.9147.6000110.6R163 D212 V213 R246R163-L165 WeakPolarHBondContact O-CB 3.42Å; R163-L165 PolarHBondContact O-N 3.21Å; L165-D212 HydrophobicContact CD2-CB 4.37Å; L165-V213 CarbonylContact C-O 3.57Å; L165-V213 VanDerWaalsContact CA-O 3.29Å; L165-V213 WeakPolarHBondContact CA-O 3.36Å; L165-V213 WeakPolarHBondContact CG-O 3.38Å; L165-R246 HydrophobicContact CD2-CB 4.32Å; L165-R246 VanDerWaalsContact CD2-NH1 3.29Å; L165-R246 CarbonylContact O-C 3.44Å; L165-R246 VanDerWaalsContact O-CA 3.32Å; L165-R246 WeakPolarHBondContact O-CA 3.44Å; L165-R246 VanDerWaalsContact O-CB 3.27Å; L165-R246 WeakPolarHBondContact O-CB 3.11Å; L165-R246 PolarHBondContact O-N 3.44Å; L165-R246 VanDerWaalsContact O-N 3.1Å
166V84.6Confident65.4Low0 Ų070.9 Ų70.90%046%0.457CS..EExtended strand (participates in β ladder)trans-126.8146.7169.4156.70000107.7I168 D212 V213 F215 L221 F224 L225 V243V166-I168 HydrophobicContact CG1-CG1 3.82Å; V166-D212 CarbonylContact O-C 3.54Å; V166-V213 HydrophobicContact CB-CB 4.36Å; V166-V213 PolarHBondContact N-O 2.84Å; V166-V213 PolarHBondContact O-N 3.1Å; V166-F215 HydrophobicContact CB-CE2 4.11Å; V166-F215 HydrophobicContact CG2-CE2 3.89Å; V166-L221 HydrophobicContact CG2-CD1 3.52Å; V166-F224 HydrophobicContact CB-CE1 4.29Å; V166-F224 HydrophobicContact CG1-CE1 3.76Å; V166-F224 HydrophobicContact CG1-CZ 4.22Å; V166-F224 HydrophobicContact CG2-CD1 3.87Å; V166-F224 HydrophobicContact CG2-CE1 3.89Å; V166-L225 HydrophobicContact CG2-CD2 4.03Å; V166-V243 HydrophobicContact CG1-CG1 3.83Å
167R84.3Confident67.9Low6 Ų668.6 Ų68.62%0.02343%0.427CS..EExtended strand (participates in β ladder)trans-108.7127.7160.6175.5169.2-69.9-169.2-19.2108.9C169 E210 F211 D212 L244 T253 E299R167-C169 VanDerWaalsContact CD-SG 3.57Å; R167-C169 VanDerWaalsContact CG-SG 3.56Å; R167-E210 IonicContact CZ-OE2 2.83Å; R167-E210 IonicContact NE-OE2 3.46Å; R167-E210 IonicContact NH1-OE2 3.85Å; R167-E210 PolarHBondContact NH1-OE2 3.16Å; R167-E210 IonicContact NH2-OE2 3.49Å; R167-E210 PolarHBondContact NH2-OE2 3.19Å; R167-F211 WeakPolarHBondContact CA-O 3.43Å; R167-D212 WeakPolarHBondContact CB-OD1 3.08Å; R167-D212 IonicContact CZ-OD1 2.85Å; R167-D212 IonicContact CZ-OD2 3.8Å; R167-D212 IonicContact NE-OD1 3.04Å; R167-D212 PolarHBondContact NE-OD1 2.91Å; R167-D212 IonicContact NH2-OD1 3Å; R167-D212 PolarHBondContact NH2-OD1 3.47Å; R167-D212 IonicContact NH2-OD2 2.77Å; R167-D212 PolarHBondContact NH2-OD2 3.37Å; R167-D212 VanDerWaalsContact NH2-OD2 3.07Å; R167-L244 HydrophobicContact CB-CB 4.29Å; R167-L244 PolarHBondContact N-O 2.75Å; R167-L244 PolarHBondContact O-N 3.47Å; R167-T253 PolarHBondContact NH1-OG1 3.25Å; R167-T253 PolarHBondContact NH2-OG1 3.49Å; R167-E299 IonicContact CZ-OE1 3.74Å; R167-E299 IonicContact NH1-OE1 3.98Å; R167-E299 PolarHBondContact NH1-OE1 3.42Å
168I88.3Confident70.4Confident0 Ų066 Ų660%040%0.404CS..EExtended strand (participates in β ladder)trans-100.7123.7167.4-43.9-174.3000106.5V166 V183 I188 F211 V213 F224 W238 F241 V243V166-I168 HydrophobicContact CG1-CG1 3.82Å; I168-V183 HydrophobicContact CD1-CG1 3.96Å; I168-I188 HydrophobicContact CD1-CG1 4.45Å; I168-F211 HydrophobicContact CB-CB 4.33Å; I168-F211 PolarHBondContact N-O 2.82Å; I168-F211 PolarHBondContact O-N 2.86Å; I168-V213 HydrophobicContact CD1-CG2 3.96Å; I168-V213 HydrophobicContact CG1-CG2 4.13Å; I168-F224 HydrophobicContact CD1-CZ 4.1Å; I168-W238 HydrophobicContact CD1-CH2 4.42Å; I168-W238 HydrophobicContact CD1-CZ3 4.44Å; I168-W238 HydrophobicContact CG2-CZ3 4.24Å; I168-F241 HydrophobicContact CG2-CB 4.36Å; I168-F241 HydrophobicContact CG2-CD1 3.7Å; I168-F241 HydrophobicContact CG2-CE1 4.38Å; I168-F241 HydrophobicContact CG2-CG 4.41Å; I168-V243 HydrophobicContact CG1-CG2 4.24Å; I168-V243 HydrophobicContact CG2-CG2 4.22Å
169C83.4Confident73.1Confident20 Ų2067.7 Ų67.714%0.13540%0.404CS..EExtended strand (participates in β ladder)trans-111123.9178.2-71.20000109.8R167 R209 V242R167-C169 VanDerWaalsContact CD-SG 3.57Å; R167-C169 VanDerWaalsContact CG-SG 3.56Å; C169-R209 WeakPolarHBondContact CA-O 3.45Å; C169-V242 PolarHBondContact N-O 2.93Å; C169-V242 PolarHBondContact O-N 2.73Å
170F87.3Confident75.4Confident20 Ų2066 Ų669%0.08838%0.379CS..EExtended strand (participates in β ladder)trans-83.8128169.2-176-107.9000110.2G172 C177 P178 R209 N240 F241F170-G172 VanDerWaalsContact CE1-C 3.42Å; F170-G172 VanDerWaalsContact CE1-CA 3.43Å; F170-C177 HydrophobicContact CD1-CB 4.13Å; F170-C177 HydrophobicContact CE1-CB 4.41Å; F170-P178 HydrophobicContact CD2-CG 4.21Å; F170-P178 HydrophobicContact CE2-CG 4.31Å; F170-R209 HydrophobicContact CB-CB 4.2Å; F170-R209 HydrophobicContact CD1-CG 4.41Å; F170-R209 PolarHBondContact N-O 3.42Å; F170-R209 WeakPolarHBondContact O-CB 3.27Å; F170-N240 CarbonylContact C-O 3.57Å; F170-N240 WeakPolarHBondContact CA-O 3.21Å; F170-N240 HydrophobicContact CD2-CB 4.22Å; F170-N240 HydrophobicContact CE2-CB 3.82Å; F170-N240 HydrophobicContact CZ-CB 4.44Å; F170-F241 HydrophobicContact CB-CD1 4.18Å; F170-F241 HydrophobicContact CB-CE1 4.01Å; F170-F241 HydrophobicContact CD2-CD1 4.06Å; F170-F241 HydrophobicContact CD2-CD2 4.35Å; F170-F241 AromaticContact CD2-CE1 3.8Å; F170-F241 HydrophobicContact CD2-CE1 3.8Å; F170-F241 HydrophobicContact CD2-CE2 4.08Å; F170-F241 HydrophobicContact CD2-CG 4.37Å; F170-F241 AromaticContact CD2-CZ 3.84Å; F170-F241 HydrophobicContact CD2-CZ 3.84Å; F170-F241 HydrophobicContact CE2-CE2 4.41Å; F170-F241 HydrophobicContact CE2-CZ 4.45Å; F170-F241 HydrophobicContact CG-CE1 4.35Å
171Q82.2Confident77.6Confident114 Ų11467.3 Ų67.353%0.53337%0.368SS..  trans-97.7-19-175.9-62.4-159.6-17.300113.7R209 N240 V242Q171-R209 PolarHBondContact O-NH1 2.83Å; Q171-R209 VanDerWaalsContact O-NH1 3.15Å; Q171-N240 PolarHBondContact N-O 3.07Å; Q171-V242 HydrophobicContact CG-CG2 4.37Å; Q171-V242 VanDerWaalsContact NE2-CG2 3.29Å
172G78.7Confident79.6Confident11 Ų1162.9 Ų62.911%0.11335%0.349CS..SBendtrans-66.3174174.200000113.2F170 R209F170-G172 VanDerWaalsContact CE1-C 3.42Å; F170-G172 VanDerWaalsContact CE1-CA 3.43Å; G172-R209 WeakPolarHBondContact O-CD 3.44Å; G172-R209 PolarHBondContact O-NH1 3.03Å
173D77.8Confident81.3Confident127 Ų12760.6 Ų60.668%0.67933%0.325SS*.  trans-58.8155.1-173.7-60.4-62.5000114G175 S176 C177D173-G175 VanDerWaalsContact C-N 3.31Å; D173-G175 PolarHBondContact O-N 3.15Å; D173-S176 PolarHBondContact N-OG 3.04Å; D173-S176 PolarHBondContact O-N 2.97Å; D173-S176 VanDerWaalsContact O-N 3.08Å; D173-S176 PolarHBondContact O-OG 2.86Å; D173-S176 VanDerWaalsContact O-OG 3.08Å; D173-C177 PolarHBondContact O-N 2.71Å
174E65.6Low82.5Confident141 Ų14155.1 Ų55.166%0.65931%0.307SS*.G310 helixtrans-63.9-37.4-174-164.2166.6140.600112.6S176 C177E174-S176 VanDerWaalsContact C-N 3.28Å; E174-S176 PolarHBondContact O-N 3.33Å; E174-C177 VanDerWaalsContact O-CB 3.31Å; E174-C177 WeakPolarHBondContact O-CB 3.29Å; E174-C177 PolarHBondContact O-N 2.83Å
175G69.1Low82.8Confident88 Ų8852.7 Ų52.791%0.90730%0.302SS*.G310 helixtrans-72.9-13.1175.500000115.1D173D173-G175 VanDerWaalsContact C-N 3.31Å; D173-G175 PolarHBondContact O-N 3.15Å
176S78.3Confident83.1Confident67 Ų6751.9 Ų51.947%0.46930%0.299SS..G310 helixtrans-104.56.2173.260.60000113D173 E174 P178D173-S176 PolarHBondContact N-OG 3.04Å; D173-S176 PolarHBondContact O-N 2.97Å; D173-S176 VanDerWaalsContact O-N 3.08Å; D173-S176 PolarHBondContact O-OG 2.86Å; D173-S176 VanDerWaalsContact O-OG 3.08Å; E174-S176 VanDerWaalsContact C-N 3.28Å; E174-S176 PolarHBondContact O-N 3.33Å; S176-P178 VanDerWaalsContact O-CD 3.27Å; S176-P178 WeakPolarHBondContact O-CD 3.2Å; S176-P178 VanDerWaalsContact O-N 3.16Å
177C79.8Confident83.3Confident33 Ų3351.9 Ų51.922%0.22330%0.299CS..PPolyproline II helixtrans-60.1116.3177.2-176.60000110.9F170 D173 E174 R209F170-C177 HydrophobicContact CD1-CB 4.13Å; F170-C177 HydrophobicContact CE1-CB 4.41Å; D173-C177 PolarHBondContact O-N 2.71Å; E174-C177 VanDerWaalsContact O-CB 3.31Å; E174-C177 WeakPolarHBondContact O-CB 3.29Å; E174-C177 PolarHBondContact O-N 2.83Å; C177-R209 HydrophobicContact CB-CG 4.08Å
178P82.3Confident83.5Confident25 Ų2551.6 Ų51.616%0.16230%0.298CS..PPolyproline II helixtrans-69.6161.7-178.225.7-30.5000111.8F170 S176 F182 F211 F241F170-P178 HydrophobicContact CD2-CG 4.21Å; F170-P178 HydrophobicContact CE2-CG 4.31Å; S176-P178 VanDerWaalsContact O-CD 3.27Å; S176-P178 WeakPolarHBondContact O-CD 3.2Å; S176-P178 VanDerWaalsContact O-N 3.16Å; P178-F182 HydrophobicContact CB-CB 4.06Å; P178-F182 HydrophobicContact CB-CD1 3.77Å; P178-F182 HydrophobicContact CB-CE1 4.48Å; P178-F182 HydrophobicContact CB-CG 3.98Å; P178-F182 HydrophobicContact CG-CD1 4.11Å; P178-F211 WeakPolarHBondContact O-CZ 3.29Å; P178-F241 HydrophobicContact CG-CE1 4.14Å; P178-F241 HydrophobicContact CG-CE2 4.32Å; P178-F241 HydrophobicContact CG-CZ 3.45Å; P178-F241 VanDerWaalsContact CG-CZ 3.45Å
179T86.1Confident83.6Confident87 Ų8754.2 Ų54.253%0.53431%0.311SS..PPolyproline II helixtrans-74.5159.5-179.464.20000112D181 F182 V183T179-D181 PolarHBondContact O-N 2.77Å; T179-D181 VanDerWaalsContact O-N 3.09Å; T179-F182 WeakPolarHBondContact O-CB 3.16Å; T179-F182 PolarHBondContact O-N 3.08Å; T179-F182 VanDerWaalsContact O-N 3.12Å; T179-F182 PolarHBondContact OG1-N 3.34Å; T179-V183 PolarHBondContact O-N 3.21Å; T179-V183 VanDerWaalsContact O-N 3.16Å
180R87.9Confident83.9Confident114 Ų11462.2 Ų62.243%0.4334%0.339SS..Hα-helixtrans-41.9-42.3165.6174.9-170.7171.2-86.74.3112.7V183 V184 V202R180-V183 PolarHBondContact O-N 2.97Å; R180-V184 HydrophobicContact CG-CG2 4.34Å; R180-V184 WeakPolarHBondContact O-CG2 3.33Å; R180-V184 PolarHBondContact O-N 3.07Å; R180-V202 HydrophobicContact CG-CG1 4.44Å
181D88.1Confident84Confident101 Ų10161.4 Ų61.454%0.5434%0.336SS..Hα-helixtrans-78.5-26.1-170.8-54.1-32.1000112.3T179 G185T179-D181 PolarHBondContact O-N 2.77Å; T179-D181 VanDerWaalsContact O-N 3.09Å; D181-G185 WeakPolarHBondContact O-CA 3.37Å; D181-G185 PolarHBondContact O-N 3.46Å
182F88.4Confident84.3Confident84 Ų8456.7 Ų56.737%0.36831%0.314SS..Hα-helixtrans-65.4-47.9163.4179.6-85.9000110.8P178 T179 V184 G185 A186 L187 F241P178-F182 HydrophobicContact CB-CB 4.06Å; P178-F182 HydrophobicContact CB-CD1 3.77Å; P178-F182 HydrophobicContact CB-CE1 4.48Å; P178-F182 HydrophobicContact CB-CG 3.98Å; P178-F182 HydrophobicContact CG-CD1 4.11Å; T179-F182 WeakPolarHBondContact O-CB 3.16Å; T179-F182 PolarHBondContact O-N 3.08Å; T179-F182 VanDerWaalsContact O-N 3.12Å; T179-F182 PolarHBondContact OG1-N 3.34Å; F182-V184 VanDerWaalsContact C-N 3.33Å; F182-V184 PolarHBondContact O-N 3.14Å; F182-G185 PolarHBondContact O-N 3.48Å; F182-A186 HydrophobicContact CD1-CB 4.26Å; F182-A186 HydrophobicContact CD2-CB 4Å; F182-A186 HydrophobicContact CE1-CB 4.07Å; F182-A186 HydrophobicContact CE2-CB 3.82Å; F182-A186 HydrophobicContact CG-CB 4.22Å; F182-A186 HydrophobicContact CZ-CB 3.85Å; F182-A186 WeakPolarHBondContact O-CA 3.4Å; F182-A186 WeakPolarHBondContact O-CB 3.14Å; F182-A186 PolarHBondContact O-N 2.84Å; F182-L187 HydrophobicContact CE1-CD2 4.07Å; F182-L187 HydrophobicContact CE1-CG 4.28Å; F182-F241 HydrophobicContact CD1-CZ 4.28Å; F182-F241 AromaticContact CE1-CE2 3.93Å; F182-F241 HydrophobicContact CE1-CE2 3.93Å; F182-F241 HydrophobicContact CE1-CZ 4.04Å
183V87.8Confident84.7Confident0 Ų058.9 Ų58.90%034%0.337CS..Iπ-helixtrans-61.2-41.3179.7172.90000111.7I168 T179 R180 L187 I188 F211 F241I168-V183 HydrophobicContact CD1-CG1 3.96Å; T179-V183 PolarHBondContact O-N 3.21Å; T179-V183 VanDerWaalsContact O-N 3.16Å; R180-V183 PolarHBondContact O-N 2.97Å; V183-L187 HydrophobicContact CG1-CD1 4.36Å; V183-L187 HydrophobicContact CG2-CD1 4.32Å; V183-L187 WeakPolarHBondContact O-CB 3.27Å; V183-L187 PolarHBondContact O-N 3.18Å; V183-I188 HydrophobicContact CG1-CD1 4.47Å; V183-I188 WeakPolarHBondContact O-CG1 3.45Å; V183-I188 PolarHBondContact O-N 2.78Å; V183-I188 VanDerWaalsContact O-N 3.16Å; V183-F211 HydrophobicContact CB-CD1 4.13Å; V183-F211 HydrophobicContact CB-CE1 4.26Å; V183-F211 HydrophobicContact CB-CG 4.45Å; V183-F211 HydrophobicContact CG1-CB 4.27Å; V183-F211 HydrophobicContact CG1-CD1 4.19Å; V183-F211 HydrophobicContact CG1-CG 4.12Å; V183-F211 HydrophobicContact CG2-CD1 3.92Å; V183-F211 HydrophobicContact CG2-CD2 4.06Å; V183-F211 HydrophobicContact CG2-CE1 3.71Å; V183-F211 HydrophobicContact CG2-CE2 3.88Å; V183-F211 HydrophobicContact CG2-CG 4.1Å; V183-F211 HydrophobicContact CG2-CZ 3.71Å; V183-F241 HydrophobicContact CG2-CE1 4.03Å; V183-F241 HydrophobicContact CG2-CZ 4.21Å
184V89.4Confident85.3Confident25 Ų2553.3 Ų53.315%0.15231%0.307CS..Iπ-helixtrans-67.9-59.8173.6175.70000110.8R180 F182 I188 L189 V202R180-V184 HydrophobicContact CG-CG2 4.34Å; R180-V184 WeakPolarHBondContact O-CG2 3.33Å; R180-V184 PolarHBondContact O-N 3.07Å; F182-V184 VanDerWaalsContact C-N 3.33Å; F182-V184 PolarHBondContact O-N 3.14Å; V184-I188 PolarHBondContact O-N 2.83Å; V184-L189 HydrophobicContact CG1-CD1 3.97Å; V184-L189 HydrophobicContact CG1-CG 4.09Å; V184-L189 WeakPolarHBondContact O-CG 3.38Å; V184-L189 PolarHBondContact O-N 2.83Å; V184-V202 HydrophobicContact CG2-CB 4.09Å; V184-V202 HydrophobicContact CG2-CG1 4.11Å; V184-V202 HydrophobicContact CG2-CG2 3.96Å
185G88.6Confident86.4Confident20 Ų2051.2 Ų51.221%0.20630%0.3CS..Iπ-helixtrans-72-44.2-169.300000114.6D181 F182 R190D181-G185 WeakPolarHBondContact O-CA 3.37Å; D181-G185 PolarHBondContact O-N 3.46Å; F182-G185 PolarHBondContact O-N 3.48Å; G185-R190 WeakPolarHBondContact O-CB 3.47Å; G185-R190 VanDerWaalsContact O-CG 3.3Å; G185-R190 WeakPolarHBondContact O-CG 3.48Å; G185-R190 PolarHBondContact O-N 2.83Å; G185-R190 PolarHBondContact O-NE 2.81Å
186A87.1Confident87.4Confident7 Ų751 Ų516%0.05828%0.283CS..Iπ-helixtrans-78.9-53.8179.900000111.7F182 S191F182-A186 HydrophobicContact CD1-CB 4.26Å; F182-A186 HydrophobicContact CD2-CB 4Å; F182-A186 HydrophobicContact CE1-CB 4.07Å; F182-A186 HydrophobicContact CE2-CB 3.82Å; F182-A186 HydrophobicContact CG-CB 4.22Å; F182-A186 HydrophobicContact CZ-CB 3.85Å; F182-A186 WeakPolarHBondContact O-CA 3.4Å; F182-A186 WeakPolarHBondContact O-CB 3.14Å; F182-A186 PolarHBondContact O-N 2.84Å; A186-S191 PolarHBondContact O-N 3.06Å
187L88.4Confident87.9Confident0 Ų052.1 Ų52.10%029%0.29CS..Iπ-helixtrans-82.7-55.9-170.4-47.6-176.4000112F182 V183 S191 I192 C237 W238 F241F182-L187 HydrophobicContact CE1-CD2 4.07Å; F182-L187 HydrophobicContact CE1-CG 4.28Å; V183-L187 HydrophobicContact CG1-CD1 4.36Å; V183-L187 HydrophobicContact CG2-CD1 4.32Å; V183-L187 WeakPolarHBondContact O-CB 3.27Å; V183-L187 PolarHBondContact O-N 3.18Å; L187-S191 VanDerWaalsContact O-CB 3.28Å; L187-S191 WeakPolarHBondContact O-CB 3.18Å; L187-S191 PolarHBondContact O-N 3.28Å; L187-I192 WeakPolarHBondContact O-CG1 3.26Å; L187-I192 PolarHBondContact O-N 2.85Å; L187-C237 HydrophobicContact CD2-CB 3.95Å; L187-C237 WeakPolarHBondContact CD2-O 3.16Å; L187-W238 HydrophobicContact CB-CH2 3.7Å; L187-W238 HydrophobicContact CB-CZ2 3.75Å; L187-W238 HydrophobicContact CB-CZ3 4.26Å; L187-W238 HydrophobicContact CD1-CE3 4.24Å; L187-W238 HydrophobicContact CD1-CH2 4.22Å; L187-W238 HydrophobicContact CD1-CZ3 3.93Å; L187-W238 HydrophobicContact CD2-CD2 4.39Å; L187-W238 HydrophobicContact CG-CH2 4.44Å; L187-F241 HydrophobicContact CD1-CD1 4.03Å; L187-F241 HydrophobicContact CD1-CD2 3.99Å; L187-F241 HydrophobicContact CD1-CE1 3.84Å; L187-F241 HydrophobicContact CD1-CE2 3.81Å; L187-F241 HydrophobicContact CD1-CG 4.05Å; L187-F241 HydrophobicContact CD1-CZ 3.69Å; L187-F241 HydrophobicContact CD2-CE2 4.42Å
188I90.1Very high88.3Confident0 Ų051.8 Ų51.80%029%0.286CS..Iπ-helixtrans-77.5-47-171.5-54.4168.4000111.8I168 V183 V184 G193 M194 I199 V202 V213 F224I168-I188 HydrophobicContact CD1-CG1 4.45Å; V183-I188 HydrophobicContact CG1-CD1 4.47Å; V183-I188 WeakPolarHBondContact O-CG1 3.45Å; V183-I188 PolarHBondContact O-N 2.78Å; V183-I188 VanDerWaalsContact O-N 3.16Å; V184-I188 PolarHBondContact O-N 2.83Å; I188-G193 PolarHBondContact O-N 3.45Å; I188-M194 HydrophobicContact CG2-CB 4.24Å; I188-M194 HydrophobicContact CG2-CG 4.48Å; I188-M194 HydrophobicContact CG2-SD 4.29Å; I188-M194 PolarHBondContact O-N 3.44Å; I188-I199 HydrophobicContact CG2-CD1 3.64Å; I188-I199 HydrophobicContact CG2-CG1 4.38Å; I188-V202 HydrophobicContact CD1-CG2 4.06Å; I188-V213 HydrophobicContact CD1-CG1 4.01Å; I188-V213 HydrophobicContact CD1-CG2 3.71Å; I188-F224 HydrophobicContact CG1-CE2 4.24Å
189L90.3Very high88.6Confident54 Ų5451.3 Ų51.328%0.28328%0.282SS..Iπ-helixtrans-81.1-50.2-175.8-58.6-176000112.6V184 G193 M194 P196 I199V184-L189 HydrophobicContact CG1-CD1 3.97Å; V184-L189 HydrophobicContact CG1-CG 4.09Å; V184-L189 WeakPolarHBondContact O-CG 3.38Å; V184-L189 PolarHBondContact O-N 2.83Å; L189-G193 VanDerWaalsContact O-CA 3.27Å; L189-G193 WeakPolarHBondContact O-CA 3.47Å; L189-G193 PolarHBondContact O-N 2.85Å; L189-M194 WeakPolarHBondContact CD2-O 3.32Å; L189-P196 HydrophobicContact CD1-CG 4.19Å; L189-P196 HydrophobicContact CD2-CG 3.83Å; L189-I199 HydrophobicContact CD2-CD1 4.13Å
190R89.1Confident88.7Confident189 Ų18954.4 Ų54.471%0.71329%0.285SS*.Iπ-helixtrans-84.3-47.6-177.3-70.5-173.7-54.4-136.24.3114.3G185G185-R190 WeakPolarHBondContact O-CB 3.47Å; G185-R190 VanDerWaalsContact O-CG 3.3Å; G185-R190 WeakPolarHBondContact O-CG 3.48Å; G185-R190 PolarHBondContact O-N 2.83Å; G185-R190 PolarHBondContact O-NE 2.81Å
191S88.5Confident88.6Confident3 Ų350.3 Ų50.32%0.02128%0.276CS..Iπ-helixtrans-73.6-59.1-177.8-177.90000111.7A186 L187 G193 K231 E235 W238A186-S191 PolarHBondContact O-N 3.06Å; L187-S191 VanDerWaalsContact O-CB 3.28Å; L187-S191 WeakPolarHBondContact O-CB 3.18Å; L187-S191 PolarHBondContact O-N 3.28Å; S191-G193 VanDerWaalsContact C-N 3.3Å; S191-G193 PolarHBondContact O-N 2.78Å; S191-K231 WeakPolarHBondContact O-CD 3.5Å; S191-K231 VanDerWaalsContact O-CE 3.27Å; S191-K231 WeakPolarHBondContact O-CE 3.48Å; S191-K231 PolarHBondContact O-NZ 3.15Å; S191-E235 WeakPolarHBondContact CB-OE2 3.31Å; S191-E235 PolarHBondContact OG-OE2 3.48Å; S191-W238 PolarHBondContact OG-NE1 3.09Å
192I89.7Confident88.6Confident14 Ų1446.3 Ų46.37%0.07226%0.255CS..SBendtrans-72.5-23.5179.9-54.1-55.6000112.6L187 M194 F224 V227 W238L187-I192 WeakPolarHBondContact O-CG1 3.26Å; L187-I192 PolarHBondContact O-N 2.85Å; I192-M194 HydrophobicContact CB-CG 4.13Å; I192-M194 HydrophobicContact CG2-CG 3.55Å; I192-M194 HydrophobicContact CG2-SD 3.99Å; I192-F224 HydrophobicContact CB-CD2 4.29Å; I192-F224 HydrophobicContact CG1-CD2 3.89Å; I192-F224 HydrophobicContact CG1-CE2 3.75Å; I192-F224 HydrophobicContact CG2-CB 4.47Å; I192-F224 HydrophobicContact CG2-CD2 3.88Å; I192-F224 HydrophobicContact CG2-CG 4.47Å; I192-V227 HydrophobicContact CB-CG1 4.41Å; I192-V227 HydrophobicContact CD1-CB 4.37Å; I192-V227 HydrophobicContact CD1-CG1 3.97Å; I192-V227 HydrophobicContact CG2-CB 4.05Å; I192-V227 HydrophobicContact CG2-CG1 4Å; I192-W238 HydrophobicContact CD1-CH2 4.43Å; I192-W238 HydrophobicContact CD1-CZ2 3.62Å; I192-W238 HydrophobicContact CG1-CH2 4.41Å; I192-W238 HydrophobicContact CG1-CZ2 3.78Å
193G87.4Confident88.5Confident58 Ų5845.6 Ų45.660%0.59825%0.254SS*.  trans74.733.9179.200000113.6I188 L189 S191I188-G193 PolarHBondContact O-N 3.45Å; L189-G193 VanDerWaalsContact O-CA 3.27Å; L189-G193 WeakPolarHBondContact O-CA 3.47Å; L189-G193 PolarHBondContact O-N 2.85Å; S191-G193 VanDerWaalsContact C-N 3.3Å; S191-G193 PolarHBondContact O-N 2.78Å
194M89.3Confident88.3Confident10 Ų1048.5 Ų48.55%0.04927%0.268CS..  trans-91.9148.3178.2-56.3-165.477.300112.6I188 L189 I192 D198 F215 K220 F224I188-M194 HydrophobicContact CG2-CB 4.24Å; I188-M194 HydrophobicContact CG2-CG 4.48Å; I188-M194 HydrophobicContact CG2-SD 4.29Å; I188-M194 PolarHBondContact O-N 3.44Å; L189-M194 WeakPolarHBondContact CD2-O 3.32Å; I192-M194 HydrophobicContact CB-CG 4.13Å; I192-M194 HydrophobicContact CG2-CG 3.55Å; I192-M194 HydrophobicContact CG2-SD 3.99Å; M194-D198 HydrophobicContact CE-CB 4.11Å; M194-F215 HydrophobicContact CE-CD1 3.88Å; M194-F215 HydrophobicContact CE-CE1 3.84Å; M194-F215 HydrophobicContact SD-CD1 4.18Å; M194-F215 HydrophobicContact SD-CE1 3.52Å; M194-F215 VanDerWaalsContact SD-CE1 3.52Å; M194-F215 HydrophobicContact SD-CZ 4.27Å; M194-K220 HydrophobicContact CE-CB 3.8Å; M194-K220 HydrophobicContact CE-CD 4.21Å; M194-K220 WeakPolarHBondContact CE-O 3.34Å; M194-F224 HydrophobicContact CE-CB 4.44Å; M194-F224 HydrophobicContact SD-CB 3.8Å; M194-F224 HydrophobicContact SD-CD2 3.68Å; M194-F224 HydrophobicContact SD-CG 4.21Å
195D89.1Confident87.9Confident97 Ų9751.7 Ų51.752%0.51928%0.283SS..  trans-74.9144.5171.5-74.4-69.2000111.9S197 D198D195-S197 PolarHBondContact O-N 2.85Å; D195-S197 VanDerWaalsContact O-N 3.1Å; D195-D198 WeakPolarHBondContact O-CB 3.27Å; D195-D198 PolarHBondContact O-N 2.79Å
196P89.9Confident87Confident84 Ų8456.8 Ų56.855%0.54531%0.312SS..G310 helixtrans-54.8-29.6170.3-23.933.4000112.9L189 D198 I199L189-P196 HydrophobicContact CD1-CG 4.19Å; L189-P196 HydrophobicContact CD2-CG 3.83Å; P196-D198 VanDerWaalsContact C-N 3.31Å; P196-D198 PolarHBondContact O-N 3.44Å; P196-I199 WeakPolarHBondContact O-CB 3.38Å; P196-I199 PolarHBondContact O-N 2.84Å
197S88.4Confident86.1Confident89 Ų8959.9 Ų59.962%0.62235%0.345SS*.G310 helixtrans-61.9-32.5176.7-58.60000113.5D195 I199 R216D195-S197 PolarHBondContact O-N 2.85Å; D195-S197 VanDerWaalsContact O-N 3.1Å; S197-I199 PolarHBondContact O-N 3.39Å; S197-R216 WeakPolarHBondContact O-CD 3.2Å; S197-R216 PolarHBondContact O-NE 2.9Å
198D88.3Confident85.6Confident26 Ų2660.3 Ų60.314%0.13935%0.348CS..G310 helixtrans-72.8-20.6178.5-67.2-40.9000113M194 D195 P196 F215 R216 K220M194-D198 HydrophobicContact CE-CB 4.11Å; D195-D198 WeakPolarHBondContact O-CB 3.27Å; D195-D198 PolarHBondContact O-N 2.79Å; P196-D198 VanDerWaalsContact C-N 3.31Å; P196-D198 PolarHBondContact O-N 3.44Å; D198-F215 WeakPolarHBondContact O-CA 3.08Å; D198-R216 PolarHBondContact O-N 2.92Å; D198-K220 HydrophobicContact CB-CB 4.35Å; D198-K220 HydrophobicContact CB-CD 4.15Å; D198-K220 HydrophobicContact CB-CG 4.09Å; D198-K220 VanDerWaalsContact CG-CD 3.42Å; D198-K220 WeakPolarHBondContact OD1-CD 3.19Å; D198-K220 WeakPolarHBondContact OD1-CE 3.43Å; D198-K220 IonicContact OD1-NZ 2.95Å; D198-K220 PolarHBondContact OD1-NZ 2.77Å; D198-K220 WeakPolarHBondContact OD2-CD 3.42Å; D198-K220 WeakPolarHBondContact OD2-CE 3.35Å; D198-K220 IonicContact OD2-NZ 2.69Å; D198-K220 PolarHBondContact OD2-NZ 3.42Å
199I89.4Confident85.2Confident16 Ų1664.9 Ų64.98%0.08237%0.365CS..EExtended strand (participates in β ladder)trans-85.8128.5-176.9-50.9174.4000108.5I188 L189 P196 S197 V202 R216I188-I199 HydrophobicContact CG2-CD1 3.64Å; I188-I199 HydrophobicContact CG2-CG1 4.38Å; L189-I199 HydrophobicContact CD2-CD1 4.13Å; P196-I199 WeakPolarHBondContact O-CB 3.38Å; P196-I199 PolarHBondContact O-N 2.84Å; S197-I199 PolarHBondContact O-N 3.39Å; I199-V202 HydrophobicContact CG2-CG2 3.82Å; I199-R216 PolarHBondContact O-NE 2.92Å; I199-R216 PolarHBondContact O-NH2 2.92Å
200Y87.6Confident84.9Confident152 Ų15263.3 Ų63.360%0.59636%0.356SS*.EExtended strand (participates in β ladder)trans-85.8-45.1172.3-178.2-88.6000111.3S214Y200-S214 WeakPolarHBondContact CA-O 3.49Å; Y200-S214 WeakPolarHBondContact CB-O 3.45Å; Y200-S214 PolarHBondContact N-O 2.96Å
201A85.8Confident84.9Confident27 Ų2754.3 Ų54.322%0.22332%0.322CS..EExtended strand (participates in β ladder)trans-162.7150.917700000111.6I203 S214A201-I203 HydrophobicContact CB-CG1 4.32Å; A201-S214 PolarHBondContact N-O 3.26Å; A201-S214 PolarHBondContact O-N 3.04Å
202V88.5Confident84.8Confident17 Ų1755.1 Ų55.110%0.10333%0.327CS..EExtended strand (participates in β ladder)trans-123.1118.9163.2-179.60000108.2R180 V184 I188 I199 V213R180-V202 HydrophobicContact CG-CG1 4.44Å; V184-V202 HydrophobicContact CG2-CB 4.09Å; V184-V202 HydrophobicContact CG2-CG1 4.11Å; V184-V202 HydrophobicContact CG2-CG2 3.96Å; I188-V202 HydrophobicContact CD1-CG2 4.06Å; I199-V202 HydrophobicContact CG2-CG2 3.82Å; V202-V213 HydrophobicContact CG1-CG2 4.16Å; V202-V213 HydrophobicContact CG2-CG1 4.2Å; V202-V213 HydrophobicContact CG2-CG2 4.16Å
203I85.1Confident84.7Confident69 Ų6954.5 Ų54.535%0.35432%0.323SS..EExtended strand (participates in β ladder)trans-117.1112.7-173.4-55.8174.9000108.8A201 D212A201-I203 HydrophobicContact CB-CG1 4.32Å; I203-D212 PolarHBondContact N-O 2.92Å; I203-D212 PolarHBondContact O-N 2.74Å
204Q85.4Confident84.7Confident61 Ų6151.9 Ų51.929%0.28530%0.296SS..EExtended strand (participates in β ladder)trans-96.9140.3162.8-170.5178.19.800108.3S208 F211Q204-S208 PolarHBondContact NE2-O 2.92Å; Q204-F211 HydrophobicContact CB-CD1 3.92Å; Q204-F211 HydrophobicContact CB-CE1 4.08Å; Q204-F211 HydrophobicContact CG-CD1 3.96Å; Q204-F211 HydrophobicContact CG-CE1 3.74Å; Q204-F211 HydrophobicContact CG-CZ 4.35Å
205I79.1Confident84.6Confident93 Ų9351.7 Ų51.748%0.47730%0.295SS..PPolyproline II helixtrans-92.4131.7168.2-60.3176.1000107.1G207 S208I205-G207 PolarHBondContact O-N 3.2Å; I205-S208 WeakPolarHBondContact O-CA 3.28Å; I205-S208 WeakPolarHBondContact O-CB 3.3Å; I205-S208 PolarHBondContact O-N 2.97Å
206P71.6Confident84.4Confident126 Ų12654.4 Ų54.482%0.81830%0.298SS*.THydrogen-bonded Turntrans-54.1137.1174.7-26.435.4000111.7S208P206-S208 VanDerWaalsContact C-N 3.26Å; P206-S208 PolarHBondContact O-N 3.38Å
207G67.2Low84.1Confident73 Ų7351.9 Ų51.975%0.75328%0.283SS*.THydrogen-bonded Turntrans7017.8-172.600000114.4I205I205-G207 PolarHBondContact O-N 3.2Å
208S77Confident83.8Confident8 Ų850.1 Ų50.16%0.05627%0.273CS..  trans-121.5135.7177-162.40000112.9Q204 I205 P206 E210Q204-S208 PolarHBondContact NE2-O 2.92Å; I205-S208 WeakPolarHBondContact O-CA 3.28Å; I205-S208 WeakPolarHBondContact O-CB 3.3Å; I205-S208 PolarHBondContact O-N 2.97Å; P206-S208 VanDerWaalsContact C-N 3.26Å; P206-S208 PolarHBondContact O-N 3.38Å; S208-E210 PolarHBondContact O-N 3.03Å; S208-E210 WeakPolarHBondContact OG-CB 3.48Å; S208-E210 WeakPolarHBondContact OG-CG 3.25Å; S208-E210 PolarHBondContact OG-N 3.32Å; S208-E210 PolarHBondContact OG-OE1 3.21Å
209R83Confident83.6Confident97 Ų9756.2 Ų56.237%0.36630%0.301SS..SBendtrans-80.88.7167.3-65.5-175.2-75157.73.1112.8C169 F170 Q171 G172 C177C169-R209 WeakPolarHBondContact CA-O 3.45Å; F170-R209 HydrophobicContact CB-CB 4.2Å; F170-R209 HydrophobicContact CD1-CG 4.41Å; F170-R209 PolarHBondContact N-O 3.42Å; F170-R209 WeakPolarHBondContact O-CB 3.27Å; Q171-R209 PolarHBondContact O-NH1 2.83Å; Q171-R209 VanDerWaalsContact O-NH1 3.15Å; G172-R209 WeakPolarHBondContact O-CD 3.44Å; G172-R209 PolarHBondContact O-NH1 3.03Å; C177-R209 HydrophobicContact CB-CG 4.08Å
210E83.7Confident83.6Confident20 Ų2058.4 Ų58.49%0.09331%0.31CS..EExtended strand (participates in β ladder)trans-101.8126.3179.4-57.8159.2-129.300111.3R167 S208 T253 K297R167-E210 IonicContact CZ-OE2 2.83Å; R167-E210 IonicContact NE-OE2 3.46Å; R167-E210 IonicContact NH1-OE2 3.85Å; R167-E210 PolarHBondContact NH1-OE2 3.16Å; R167-E210 IonicContact NH2-OE2 3.49Å; R167-E210 PolarHBondContact NH2-OE2 3.19Å; S208-E210 PolarHBondContact O-N 3.03Å; S208-E210 WeakPolarHBondContact OG-CB 3.48Å; S208-E210 WeakPolarHBondContact OG-CG 3.25Å; S208-E210 PolarHBondContact OG-N 3.32Å; S208-E210 PolarHBondContact OG-OE1 3.21Å; E210-T253 PolarHBondContact OE2-OG1 3.08Å; E210-K297 VanDerWaalsContact OE1-CE 3.26Å; E210-K297 WeakPolarHBondContact OE1-CE 3.2Å; E210-K297 IonicContact OE1-NZ 2.68Å; E210-K297 PolarHBondContact OE1-NZ 3.42Å
211F88Confident83.5Confident0 Ų051.8 Ų51.80%029%0.285CS..EExtended strand (participates in β ladder)trans-115.8109.8173.8-55-98.4000109.7R167 I168 P178 V183 Q204 V213R167-F211 WeakPolarHBondContact CA-O 3.43Å; I168-F211 HydrophobicContact CB-CB 4.33Å; I168-F211 PolarHBondContact N-O 2.82Å; I168-F211 PolarHBondContact O-N 2.86Å; P178-F211 WeakPolarHBondContact O-CZ 3.29Å; V183-F211 HydrophobicContact CB-CD1 4.13Å; V183-F211 HydrophobicContact CB-CE1 4.26Å; V183-F211 HydrophobicContact CB-CG 4.45Å; V183-F211 HydrophobicContact CG1-CB 4.27Å; V183-F211 HydrophobicContact CG1-CD1 4.19Å; V183-F211 HydrophobicContact CG1-CG 4.12Å; V183-F211 HydrophobicContact CG2-CD1 3.92Å; V183-F211 HydrophobicContact CG2-CD2 4.06Å; V183-F211 HydrophobicContact CG2-CE1 3.71Å; V183-F211 HydrophobicContact CG2-CE2 3.88Å; V183-F211 HydrophobicContact CG2-CG 4.1Å; V183-F211 HydrophobicContact CG2-CZ 3.71Å; Q204-F211 HydrophobicContact CB-CD1 3.92Å; Q204-F211 HydrophobicContact CB-CE1 4.08Å; Q204-F211 HydrophobicContact CG-CD1 3.96Å; Q204-F211 HydrophobicContact CG-CE1 3.74Å; Q204-F211 HydrophobicContact CG-CZ 4.35Å; F211-V213 PolarHBondContact O-N 3.17Å
212D86.6Confident83.4Confident21 Ų2152.9 Ų52.911%0.11229%0.294CS..EExtended strand (participates in β ladder)trans-88.6102.2176.2-81.5-17.3000109.9L165 V166 R167 I203 R246L165-D212 HydrophobicContact CD2-CB 4.37Å; V166-D212 CarbonylContact O-C 3.54Å; R167-D212 WeakPolarHBondContact CB-OD1 3.08Å; R167-D212 IonicContact CZ-OD1 2.85Å; R167-D212 IonicContact CZ-OD2 3.8Å; R167-D212 IonicContact NE-OD1 3.04Å; R167-D212 PolarHBondContact NE-OD1 2.91Å; R167-D212 IonicContact NH2-OD1 3Å; R167-D212 PolarHBondContact NH2-OD1 3.47Å; R167-D212 IonicContact NH2-OD2 2.77Å; R167-D212 PolarHBondContact NH2-OD2 3.37Å; R167-D212 VanDerWaalsContact NH2-OD2 3.07Å; I203-D212 PolarHBondContact N-O 2.92Å; I203-D212 PolarHBondContact O-N 2.74Å; D212-R246 IonicContact OD1-NH1 2.75Å; D212-R246 PolarHBondContact OD1-NH1 2.83Å; D212-R246 IonicContact OD2-NH1 3.72Å; D212-R246 PolarHBondContact OD2-NH1 3.29Å
213V88.7Confident83.4Confident0 Ų055.4 Ų55.40%031%0.306CS..EExtended strand (participates in β ladder)trans-91.3127.8178.3179.50000109.4L165 V166 I168 I188 V202 F211 F215L165-V213 CarbonylContact C-O 3.57Å; L165-V213 VanDerWaalsContact CA-O 3.29Å; L165-V213 WeakPolarHBondContact CA-O 3.36Å; L165-V213 WeakPolarHBondContact CG-O 3.38Å; V166-V213 HydrophobicContact CB-CB 4.36Å; V166-V213 PolarHBondContact N-O 2.84Å; V166-V213 PolarHBondContact O-N 3.1Å; I168-V213 HydrophobicContact CD1-CG2 3.96Å; I168-V213 HydrophobicContact CG1-CG2 4.13Å; I188-V213 HydrophobicContact CD1-CG1 4.01Å; I188-V213 HydrophobicContact CD1-CG2 3.71Å; V202-V213 HydrophobicContact CG1-CG2 4.16Å; V202-V213 HydrophobicContact CG2-CG1 4.2Å; V202-V213 HydrophobicContact CG2-CG2 4.16Å; F211-V213 PolarHBondContact O-N 3.17Å; V213-F215 HydrophobicContact CG1-CE1 3.83Å; V213-F215 HydrophobicContact CG1-CE2 3.9Å; V213-F215 HydrophobicContact CG1-CZ 3.48Å; V213-F215 VanDerWaalsContact CG1-CZ 3.48Å
214S86.8Confident83.6Confident4 Ų452.1 Ų52.13%0.02829%0.289CS..EExtended strand (participates in β ladder)trans-116.4130.9175.4-57.20000110.4R163 F164 Y200 A201R163-S214 PolarHBondContact NH2-OG 3.1Å; F164-S214 CarbonylContact O-C 3.56Å; F164-S214 WeakPolarHBondContact O-CA 3.4Å; Y200-S214 WeakPolarHBondContact CA-O 3.49Å; Y200-S214 WeakPolarHBondContact CB-O 3.45Å; Y200-S214 PolarHBondContact N-O 2.96Å; A201-S214 PolarHBondContact N-O 3.26Å; A201-S214 PolarHBondContact O-N 3.04Å
215F87.8Confident83.6Confident6 Ų651.1 Ų51.13%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-101.7160.8176.7-55.8-77.3000111.7F164 V166 M194 D198 V213 L221 F224F164-F215 HydrophobicContact CB-CB 4.28Å; F164-F215 PolarHBondContact O-N 3.37Å; V166-F215 HydrophobicContact CB-CE2 4.11Å; V166-F215 HydrophobicContact CG2-CE2 3.89Å; M194-F215 HydrophobicContact CE-CD1 3.88Å; M194-F215 HydrophobicContact CE-CE1 3.84Å; M194-F215 HydrophobicContact SD-CD1 4.18Å; M194-F215 HydrophobicContact SD-CE1 3.52Å; M194-F215 VanDerWaalsContact SD-CE1 3.52Å; M194-F215 HydrophobicContact SD-CZ 4.27Å; D198-F215 WeakPolarHBondContact O-CA 3.08Å; V213-F215 HydrophobicContact CG1-CE1 3.83Å; V213-F215 HydrophobicContact CG1-CE2 3.9Å; V213-F215 HydrophobicContact CG1-CZ 3.48Å; V213-F215 VanDerWaalsContact CG1-CZ 3.48Å; F215-L221 HydrophobicContact CD2-CB 3.91Å; F215-L221 HydrophobicContact CD2-CD1 3.95Å; F215-L221 HydrophobicContact CE2-CD1 3.98Å; F215-L221 HydrophobicContact CG-CB 4.48Å; F215-F224 HydrophobicContact CE1-CB 4.29Å; F215-F224 HydrophobicContact CE1-CD2 4.08Å; F215-F224 HydrophobicContact CE1-CG 4.27Å; F215-F224 HydrophobicContact CE2-CB 4.25Å; F215-F224 HydrophobicContact CE2-CD1 4.32Å; F215-F224 HydrophobicContact CE2-CG 4.11Å; F215-F224 HydrophobicContact CZ-CB 3.81Å; F215-F224 HydrophobicContact CZ-CD1 4.06Å; F215-F224 AromaticContact CZ-CD2 3.54Å; F215-F224 HydrophobicContact CZ-CD2 3.54Å; F215-F224 HydrophobicContact CZ-CE2 4.13Å; F215-F224 AromaticContact CZ-CG 3.5Å; F215-F224 HydrophobicContact CZ-CG 3.5Å
216R85.3Confident84Confident153 Ų15353.7 Ų53.758%0.57729%0.29SS*.SBendtrans-80.3-26.5179.2-64.5-172.7-162.6-104.2-11114.3S197 D198 I199S197-R216 WeakPolarHBondContact O-CD 3.2Å; S197-R216 PolarHBondContact O-NE 2.9Å; D198-R216 PolarHBondContact O-N 2.92Å; I199-R216 PolarHBondContact O-NE 2.92Å; I199-R216 PolarHBondContact O-NH2 2.92Å
217S83.3Confident84.8Confident32 Ų3248.8 Ų48.822%0.22426%0.257CS..SBendtrans-133.4161.2178.381.70000113.4E219 K220 L221S217-E219 VanDerWaalsContact C-N 3.3Å; S217-E219 PolarHBondContact OG-N 2.94Å; S217-K220 WeakPolarHBondContact OG-CG 3.5Å; S217-K220 PolarHBondContact OG-N 3.49Å; S217-L221 PolarHBondContact O-N 3.04Å
218A81.4Confident85.8Confident52 Ų5245.9 Ų45.943%0.4322%0.223SC..Hα-helixtrans-64-36173.300000112.2F164 L221 A222F164-A218 HydrophobicContact CD1-CB 3.86Å; F164-A218 HydrophobicContact CE1-CB 3.56Å; F164-A218 HydrophobicContact CZ-CB 4.06Å; A218-L221 WeakPolarHBondContact O-CB 3.21Å; A218-L221 PolarHBondContact O-N 3.07Å; A218-A222 WeakPolarHBondContact O-CB 3.49Å; A218-A222 PolarHBondContact O-N 3.45Å
219E85.4Confident86.2Confident154 Ų15451.9 Ų51.972%0.7225%0.251SS*.Hα-helixtrans-65.1-43.9-179.4-64.2149.6-170.100111.4S217 L221 A222 L223S217-E219 VanDerWaalsContact C-N 3.3Å; S217-E219 PolarHBondContact OG-N 2.94Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-L221 PolarHBondContact O-N 3.27Å; E219-A222 PolarHBondContact O-N 2.91Å; E219-L223 WeakPolarHBondContact O-CB 3.38Å; E219-L223 PolarHBondContact O-N 2.79Å
220K87.8Confident86.4Confident61 Ų6152.1 Ų52.127%0.26526%0.256SS..Hα-helixtrans-68.5-33.4178.2-65.9-67-175.1146.20111.8M194 D198 S217 L223 F224M194-K220 HydrophobicContact CE-CB 3.8Å; M194-K220 HydrophobicContact CE-CD 4.21Å; M194-K220 WeakPolarHBondContact CE-O 3.34Å; D198-K220 HydrophobicContact CB-CB 4.35Å; D198-K220 HydrophobicContact CB-CD 4.15Å; D198-K220 HydrophobicContact CB-CG 4.09Å; D198-K220 VanDerWaalsContact CG-CD 3.42Å; D198-K220 WeakPolarHBondContact OD1-CD 3.19Å; D198-K220 WeakPolarHBondContact OD1-CE 3.43Å; D198-K220 IonicContact OD1-NZ 2.95Å; D198-K220 PolarHBondContact OD1-NZ 2.77Å; D198-K220 WeakPolarHBondContact OD2-CD 3.42Å; D198-K220 WeakPolarHBondContact OD2-CE 3.35Å; D198-K220 IonicContact OD2-NZ 2.69Å; D198-K220 PolarHBondContact OD2-NZ 3.42Å; S217-K220 WeakPolarHBondContact OG-CG 3.5Å; S217-K220 PolarHBondContact OG-N 3.49Å; K220-L223 HydrophobicContact CD-CD2 4.41Å; K220-F224 WeakPolarHBondContact O-CB 3.46Å; K220-F224 PolarHBondContact O-N 2.87Å
221L85.8Confident86.3Confident14 Ų1453.9 Ų53.97%0.07326%0.263CS..Hα-helixtrans-63.5-45167.4167.764.9000112.2F164 V166 F215 S217 A218 E219 F224 L225F164-L221 HydrophobicContact CB-CB 4.07Å; F164-L221 HydrophobicContact CB-CD2 3.92Å; F164-L221 HydrophobicContact CD1-CD2 4.46Å; V166-L221 HydrophobicContact CG2-CD1 3.52Å; F215-L221 HydrophobicContact CD2-CB 3.91Å; F215-L221 HydrophobicContact CD2-CD1 3.95Å; F215-L221 HydrophobicContact CE2-CD1 3.98Å; F215-L221 HydrophobicContact CG-CB 4.48Å; S217-L221 PolarHBondContact O-N 3.04Å; A218-L221 WeakPolarHBondContact O-CB 3.21Å; A218-L221 PolarHBondContact O-N 3.07Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-L221 PolarHBondContact O-N 3.27Å; L221-F224 PolarHBondContact O-N 2.89Å; L221-L225 HydrophobicContact CD1-CD1 3.97Å; L221-L225 HydrophobicContact CD1-CG 4.22Å; L221-L225 HydrophobicContact CG-CD1 4.32Å; L221-L225 WeakPolarHBondContact O-CG 3.25Å; L221-L225 PolarHBondContact O-N 2.91Å; L221-L225 VanDerWaalsContact O-N 3.08Å
222A84Confident86Confident49 Ų4958.8 Ų58.841%0.40528%0.282SS..Hα-helixtrans-67.8-36.5179.900000112.4A218 E219 R226A218-A222 WeakPolarHBondContact O-CB 3.49Å; A218-A222 PolarHBondContact O-N 3.45Å; E219-A222 PolarHBondContact O-N 2.91Å; A222-R226 PolarHBondContact O-N 2.72Å; A222-R226 VanDerWaalsContact O-N 3.14Å
223L88Confident85.6Confident70 Ų7063.8 Ų63.837%0.36631%0.305SS..Hα-helixtrans-62.5-49.6171.7-179.165.1000111E219 K220 L225 R226 V227E219-L223 WeakPolarHBondContact O-CB 3.38Å; E219-L223 PolarHBondContact O-N 2.79Å; K220-L223 HydrophobicContact CD-CD2 4.41Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 2.94Å; L223-R226 PolarHBondContact O-N 3.26Å; L223-V227 HydrophobicContact CD1-CG2 4.04Å; L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.86Å
224F90.1Very high85Confident0 Ų071.1 Ų71.10%034%0.339CS..Hα-helixtrans-55-46.1177.4175.9-85000112V166 I168 I188 I192 M194 F215 K220 L221 Y228 W238 V243V166-F224 HydrophobicContact CB-CE1 4.29Å; V166-F224 HydrophobicContact CG1-CE1 3.76Å; V166-F224 HydrophobicContact CG1-CZ 4.22Å; V166-F224 HydrophobicContact CG2-CD1 3.87Å; V166-F224 HydrophobicContact CG2-CE1 3.89Å; I168-F224 HydrophobicContact CD1-CZ 4.1Å; I188-F224 HydrophobicContact CG1-CE2 4.24Å; I192-F224 HydrophobicContact CB-CD2 4.29Å; I192-F224 HydrophobicContact CG1-CD2 3.89Å; I192-F224 HydrophobicContact CG1-CE2 3.75Å; I192-F224 HydrophobicContact CG2-CB 4.47Å; I192-F224 HydrophobicContact CG2-CD2 3.88Å; I192-F224 HydrophobicContact CG2-CG 4.47Å; M194-F224 HydrophobicContact CE-CB 4.44Å; M194-F224 HydrophobicContact SD-CB 3.8Å; M194-F224 HydrophobicContact SD-CD2 3.68Å; M194-F224 HydrophobicContact SD-CG 4.21Å; F215-F224 HydrophobicContact CE1-CB 4.29Å; F215-F224 HydrophobicContact CE1-CD2 4.08Å; F215-F224 HydrophobicContact CE1-CG 4.27Å; F215-F224 HydrophobicContact CE2-CB 4.25Å; F215-F224 HydrophobicContact CE2-CD1 4.32Å; F215-F224 HydrophobicContact CE2-CG 4.11Å; F215-F224 HydrophobicContact CZ-CB 3.81Å; F215-F224 HydrophobicContact CZ-CD1 4.06Å; F215-F224 AromaticContact CZ-CD2 3.54Å; F215-F224 HydrophobicContact CZ-CD2 3.54Å; F215-F224 HydrophobicContact CZ-CE2 4.13Å; F215-F224 AromaticContact CZ-CG 3.5Å; F215-F224 HydrophobicContact CZ-CG 3.5Å; K220-F224 WeakPolarHBondContact O-CB 3.46Å; K220-F224 PolarHBondContact O-N 2.87Å; L221-F224 PolarHBondContact O-N 2.89Å; F224-Y228 WeakPolarHBondContact O-CB 3.35Å; F224-Y228 PolarHBondContact O-N 2.89Å; F224-W238 HydrophobicContact CZ-CH2 4.16Å; F224-V243 HydrophobicContact CE1-CG1 3.81Å; F224-V243 HydrophobicContact CE1-CG2 4.3Å; F224-V243 HydrophobicContact CZ-CG2 4.35Å
225L86.1Confident84.7Confident40 Ų4073.9 Ų73.921%0.20935%0.351CS..Hα-helixtrans-67.3-41.6-178.3-69.9173000112.5V166 L221 L223 Y228 E229 V243V166-L225 HydrophobicContact CG2-CD2 4.03Å; L221-L225 HydrophobicContact CD1-CD1 3.97Å; L221-L225 HydrophobicContact CD1-CG 4.22Å; L221-L225 HydrophobicContact CG-CD1 4.32Å; L221-L225 WeakPolarHBondContact O-CG 3.25Å; L221-L225 PolarHBondContact O-N 2.91Å; L221-L225 VanDerWaalsContact O-N 3.08Å; L223-L225 VanDerWaalsContact C-N 3.31Å; L223-L225 PolarHBondContact O-N 2.94Å; L225-Y228 PolarHBondContact O-N 2.89Å; L225-E229 WeakPolarHBondContact O-CG 3.33Å; L225-E229 PolarHBondContact O-N 2.69Å; L225-V243 HydrophobicContact CD2-CG1 3.89Å
226R87.1Confident84.3Confident148 Ų14880.7 Ų80.756%0.55839%0.388SS*.Hα-helixtrans-62.2-51.9176.6-173.3-168-54.1160.65.3111.7A222 L223 Y228 E229 E230A222-R226 PolarHBondContact O-N 2.72Å; A222-R226 VanDerWaalsContact O-N 3.14Å; L223-R226 PolarHBondContact O-N 3.26Å; R226-Y228 VanDerWaalsContact C-N 3.28Å; R226-Y228 PolarHBondContact O-N 3.23Å; R226-E229 PolarHBondContact O-N 2.84Å; R226-E229 VanDerWaalsContact O-N 3.12Å; R226-E230 WeakPolarHBondContact CG-OE1 3.26Å; R226-E230 WeakPolarHBondContact O-CG 3.37Å; R226-E230 PolarHBondContact O-N 2.93Å
227V88.6Confident84Confident22 Ų2275.3 Ų75.313%0.13337%0.373CS..Hα-helixtrans-68-31.2-178.81770000111I192 L223 K231I192-V227 HydrophobicContact CB-CG1 4.41Å; I192-V227 HydrophobicContact CD1-CB 4.37Å; I192-V227 HydrophobicContact CD1-CG1 3.97Å; I192-V227 HydrophobicContact CG2-CB 4.05Å; I192-V227 HydrophobicContact CG2-CG1 4Å; L223-V227 HydrophobicContact CD1-CG2 4.04Å; L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.86Å; V227-K231 HydrophobicContact CG1-CD 3.89Å; V227-K231 HydrophobicContact CG1-CG 4.24Å; V227-K231 VanDerWaalsContact O-CB 3.29Å; V227-K231 WeakPolarHBondContact O-CB 3.47Å; V227-K231 WeakPolarHBondContact O-CG 3.35Å; V227-K231 PolarHBondContact O-N 3.09Å
228Y87.6Confident84.1Confident12 Ų1274.1 Ų74.15%0.04736%0.364CS..Hα-helixtrans-62.2-49.1168.6168.1-101000111.4F224 L225 R226 E230 K231 R232 W238 F241 V243F224-Y228 WeakPolarHBondContact O-CB 3.35Å; F224-Y228 PolarHBondContact O-N 2.89Å; L225-Y228 PolarHBondContact O-N 2.89Å; R226-Y228 VanDerWaalsContact C-N 3.28Å; R226-Y228 PolarHBondContact O-N 3.23Å; Y228-E230 VanDerWaalsContact C-N 3.26Å; Y228-E230 PolarHBondContact O-N 3.12Å; Y228-K231 PolarHBondContact O-N 3.41Å; Y228-R232 HydrophobicContact CD2-CB 4.05Å; Y228-R232 HydrophobicContact CE1-CB 4.3Å; Y228-R232 HydrophobicContact CE1-CG 4.41Å; Y228-R232 HydrophobicContact CE2-CB 3.59Å; Y228-R232 WeakPolarHBondContact O-CB 3.31Å; Y228-R232 WeakPolarHBondContact O-CG 3.41Å; Y228-R232 PolarHBondContact O-N 2.85Å; Y228-W238 AromaticContact CD2-CD2 3.88Å; Y228-W238 HydrophobicContact CD2-CD2 3.88Å; Y228-W238 AromaticContact CD2-CE3 3.73Å; Y228-W238 HydrophobicContact CD2-CE3 3.73Å; Y228-W238 AromaticContact CD2-CH2 3.93Å; Y228-W238 HydrophobicContact CD2-CH2 3.93Å; Y228-W238 HydrophobicContact CD2-CZ2 4.11Å; Y228-W238 AromaticContact CD2-CZ3 3.74Å; Y228-W238 HydrophobicContact CD2-CZ3 3.74Å; Y228-W238 AromaticContact CE2-CD2 3.85Å; Y228-W238 HydrophobicContact CE2-CD2 3.85Å; Y228-W238 AromaticContact CE2-CE3 3.48Å; Y228-W238 HydrophobicContact CE2-CE3 3.48Å; Y228-W238 VanDerWaalsContact CE2-CE3 3.48Å; Y228-W238 HydrophobicContact CE2-CG 4.44Å; Y228-W238 HydrophobicContact CE2-CH2 4.45Å; Y228-W238 AromaticContact CE2-CZ3 3.81Å; Y228-W238 HydrophobicContact CE2-CZ3 3.81Å; Y228-F241 PolarHBondContact OH-O 3.21Å; Y228-V243 HydrophobicContact CD1-CB 3.8Å; Y228-V243 HydrophobicContact CD1-CG1 4.02Å; Y228-V243 HydrophobicContact CD1-CG2 4.16Å; Y228-V243 HydrophobicContact CD2-CB 4.07Å; Y228-V243 HydrophobicContact CD2-CG2 3.5Å; Y228-V243 HydrophobicContact CE1-CB 3.53Å; Y228-V243 HydrophobicContact CE1-CG1 4.19Å; Y228-V243 HydrophobicContact CE1-CG2 4.05Å; Y228-V243 HydrophobicContact CE2-CB 3.82Å; Y228-V243 HydrophobicContact CE2-CG2 3.37Å; Y228-V243 HydrophobicContact CG-CB 4.05Å; Y228-V243 HydrophobicContact CG-CG1 4.29Å; Y228-V243 HydrophobicContact CG-CG2 3.89Å; Y228-V243 PolarHBondContact OH-N 3.16Å
229E85.8Confident84Confident134 Ų13478.2 Ų78.263%0.62637%0.374SS*.Hα-helixtrans-60.4-35179.2-76.5171.5-171.800112.5L225 R226L225-E229 WeakPolarHBondContact O-CG 3.33Å; L225-E229 PolarHBondContact O-N 2.69Å; R226-E229 PolarHBondContact O-N 2.84Å; R226-E229 VanDerWaalsContact O-N 3.12Å
230E85.6Confident83.9Confident103 Ų10374.5 Ų74.548%0.48136%0.359SS..Hα-helixtrans-69.8-46172.9-69.2163.6-170.200112.5R226 Y228 Q234R226-E230 WeakPolarHBondContact CG-OE1 3.26Å; R226-E230 WeakPolarHBondContact O-CG 3.37Å; R226-E230 PolarHBondContact O-N 2.93Å; Y228-E230 VanDerWaalsContact C-N 3.26Å; Y228-E230 PolarHBondContact O-N 3.12Å; E230-Q234 PolarHBondContact O-NE2 3.47Å
231K83.6Confident83.8Confident56 Ų5672.2 Ų72.224%0.24335%0.349CS..Hα-helixtrans-90.1-22.5-169.9-71-169.8163.4-145.50116.2S191 V227 Y228 E233 Q234 E235S191-K231 WeakPolarHBondContact O-CD 3.5Å; S191-K231 VanDerWaalsContact O-CE 3.27Å; S191-K231 WeakPolarHBondContact O-CE 3.48Å; S191-K231 PolarHBondContact O-NZ 3.15Å; V227-K231 HydrophobicContact CG1-CD 3.89Å; V227-K231 HydrophobicContact CG1-CG 4.24Å; V227-K231 VanDerWaalsContact O-CB 3.29Å; V227-K231 WeakPolarHBondContact O-CB 3.47Å; V227-K231 WeakPolarHBondContact O-CG 3.35Å; V227-K231 PolarHBondContact O-N 3.09Å; Y228-K231 PolarHBondContact O-N 3.41Å; K231-E233 PolarHBondContact O-N 3.42Å; K231-Q234 PolarHBondContact O-N 3.17Å; K231-E235 WeakPolarHBondContact CD-OE1 3.39Å; K231-E235 WeakPolarHBondContact CE-OE1 3.46Å; K231-E235 IonicContact NZ-OE1 3.23Å; K231-E235 PolarHBondContact NZ-OE1 3.04Å; K231-E235 PolarHBondContact O-N 2.76Å
232R80.6Confident83.7Confident104 Ų10473.1 Ų73.139%0.39236%0.355SS..THydrogen-bonded Turntrans-59.7-16-177.161.2166.5-102.9179.6-10.3115.5Y228Y228-R232 HydrophobicContact CD2-CB 4.05Å; Y228-R232 HydrophobicContact CE1-CB 4.3Å; Y228-R232 HydrophobicContact CE1-CG 4.41Å; Y228-R232 HydrophobicContact CE2-CB 3.59Å; Y228-R232 WeakPolarHBondContact O-CB 3.31Å; Y228-R232 WeakPolarHBondContact O-CG 3.41Å; Y228-R232 PolarHBondContact O-N 2.85Å
233E78.5Confident83.6Confident126 Ų12671.6 Ų71.659%0.58934%0.341SS*.THydrogen-bonded Turntrans-116.26.8176.3-41.9-146.5167.900112.3K37 K231K37-E233 IonicContact NZ-OE2 2.62Å; K231-E233 PolarHBondContact O-N 3.42Å
234Q76.6Confident83Confident154 Ų15470.5 Ų70.572%0.7234%0.335SS*.THydrogen-bonded Turntrans-117-26.2179.8-62.5-176.545.500113.4E230 K231E230-Q234 PolarHBondContact O-NE2 3.47Å; K231-Q234 PolarHBondContact O-N 3.17Å
235E78.8Confident81.5Confident61 Ų6172.2 Ų72.229%0.28535%0.353SS..  trans-121.4118.5-177.2-68.7-176.3-164.700112.3S191 K231 C237 W238S191-E235 WeakPolarHBondContact CB-OE2 3.31Å; S191-E235 PolarHBondContact OG-OE2 3.48Å; K231-E235 WeakPolarHBondContact CD-OE1 3.39Å; K231-E235 WeakPolarHBondContact CE-OE1 3.46Å; K231-E235 IonicContact NZ-OE1 3.23Å; K231-E235 PolarHBondContact NZ-OE1 3.04Å; K231-E235 PolarHBondContact O-N 2.76Å; E235-C237 PolarHBondContact O-N 3.3Å; E235-W238 PolarHBondContact O-N 3.07Å
236D79.8Confident80.2Confident150 Ų15071.8 Ų71.880%0.80235%0.348SS*.G310 helixtrans-56.4-20.6-178.3-52.8-43.4000114.2W238 E239D236-W238 PolarHBondContact O-N 2.89Å; D236-W238 VanDerWaalsContact O-N 3.15Å; D236-E239 VanDerWaalsContact O-CB 3.25Å; D236-E239 WeakPolarHBondContact O-CB 3.48Å; D236-E239 PolarHBondContact O-N 2.95Å
237C79.6Confident78.4Confident39 Ų3969.9 Ų69.926%0.26436%0.358SS..G310 helixtrans-64-18.1177.474.60000113.7L187 E235 F241L187-C237 HydrophobicContact CD2-CB 3.95Å; L187-C237 WeakPolarHBondContact CD2-O 3.16Å; E235-C237 PolarHBondContact O-N 3.3Å; C237-F241 WeakPolarHBondContact O-CD2 3.4Å
238W84.4Confident76.9Confident7 Ų773.6 Ų73.63%0.02737%0.372CS..G310 helixtrans-88.1-1.2171.4-67.8100.6000114I168 L187 S191 I192 F224 Y228 E235 D236 N240 F241 V243I168-W238 HydrophobicContact CD1-CH2 4.42Å; I168-W238 HydrophobicContact CD1-CZ3 4.44Å; I168-W238 HydrophobicContact CG2-CZ3 4.24Å; L187-W238 HydrophobicContact CB-CH2 3.7Å; L187-W238 HydrophobicContact CB-CZ2 3.75Å; L187-W238 HydrophobicContact CB-CZ3 4.26Å; L187-W238 HydrophobicContact CD1-CE3 4.24Å; L187-W238 HydrophobicContact CD1-CH2 4.22Å; L187-W238 HydrophobicContact CD1-CZ3 3.93Å; L187-W238 HydrophobicContact CD2-CD2 4.39Å; L187-W238 HydrophobicContact CG-CH2 4.44Å; S191-W238 PolarHBondContact OG-NE1 3.09Å; I192-W238 HydrophobicContact CD1-CH2 4.43Å; I192-W238 HydrophobicContact CD1-CZ2 3.62Å; I192-W238 HydrophobicContact CG1-CH2 4.41Å; I192-W238 HydrophobicContact CG1-CZ2 3.78Å; F224-W238 HydrophobicContact CZ-CH2 4.16Å; Y228-W238 AromaticContact CD2-CD2 3.88Å; Y228-W238 HydrophobicContact CD2-CD2 3.88Å; Y228-W238 AromaticContact CD2-CE3 3.73Å; Y228-W238 HydrophobicContact CD2-CE3 3.73Å; Y228-W238 AromaticContact CD2-CH2 3.93Å; Y228-W238 HydrophobicContact CD2-CH2 3.93Å; Y228-W238 HydrophobicContact CD2-CZ2 4.11Å; Y228-W238 AromaticContact CD2-CZ3 3.74Å; Y228-W238 HydrophobicContact CD2-CZ3 3.74Å; Y228-W238 AromaticContact CE2-CD2 3.85Å; Y228-W238 HydrophobicContact CE2-CD2 3.85Å; Y228-W238 AromaticContact CE2-CE3 3.48Å; Y228-W238 HydrophobicContact CE2-CE3 3.48Å; Y228-W238 VanDerWaalsContact CE2-CE3 3.48Å; Y228-W238 HydrophobicContact CE2-CG 4.44Å; Y228-W238 HydrophobicContact CE2-CH2 4.45Å; Y228-W238 AromaticContact CE2-CZ3 3.81Å; Y228-W238 HydrophobicContact CE2-CZ3 3.81Å; E235-W238 PolarHBondContact O-N 3.07Å; D236-W238 PolarHBondContact O-N 2.89Å; D236-W238 VanDerWaalsContact O-N 3.15Å; W238-N240 PolarHBondContact O-N 3.12Å; W238-F241 HydrophobicContact CE3-CB 3.9Å; W238-F241 HydrophobicContact CZ3-CB 4.49Å; W238-F241 PolarHBondContact O-N 3.44Å; W238-V243 HydrophobicContact CE3-CG2 4.31Å; W238-V243 HydrophobicContact CH2-CG2 4.19Å; W238-V243 HydrophobicContact CZ3-CG2 3.57Å
239E79.7Confident75.5Confident139 Ų13976.9 Ų76.965%0.6540%0.397SS*.THydrogen-bonded Turntrans-58.7136.3174.5-157.8-166.6-151.600109.9D236 F241D236-E239 VanDerWaalsContact O-CB 3.25Å; D236-E239 WeakPolarHBondContact O-CB 3.48Å; D236-E239 PolarHBondContact O-N 2.95Å; E239-F241 WeakPolarHBondContact O-CD2 3.49Å; E239-F241 PolarHBondContact O-N 3.33Å
240N84.6Confident74.8Confident76 Ų7670.7 Ų70.741%0.40637%0.369SS..THydrogen-bonded Turntrans64.18.3-173.4-48-80000115.3F170 Q171 W238F170-N240 CarbonylContact C-O 3.57Å; F170-N240 WeakPolarHBondContact CA-O 3.21Å; F170-N240 HydrophobicContact CD2-CB 4.22Å; F170-N240 HydrophobicContact CE2-CB 3.82Å; F170-N240 HydrophobicContact CZ-CB 4.44Å; Q171-N240 PolarHBondContact N-O 3.07Å; W238-N240 PolarHBondContact O-N 3.12Å
241F85.1Confident74.6Confident13 Ų1366.5 Ų66.56%0.05735%0.349CS..EExtended strand (participates in β ladder)trans-108.8123.8174.4-72.5-79.8000113.2I168 F170 P178 F182 V183 L187 Y228 C237 W238 E239I168-F241 HydrophobicContact CG2-CB 4.36Å; I168-F241 HydrophobicContact CG2-CD1 3.7Å; I168-F241 HydrophobicContact CG2-CE1 4.38Å; I168-F241 HydrophobicContact CG2-CG 4.41Å; F170-F241 HydrophobicContact CB-CD1 4.18Å; F170-F241 HydrophobicContact CB-CE1 4.01Å; F170-F241 HydrophobicContact CD2-CD1 4.06Å; F170-F241 HydrophobicContact CD2-CD2 4.35Å; F170-F241 AromaticContact CD2-CE1 3.8Å; F170-F241 HydrophobicContact CD2-CE1 3.8Å; F170-F241 HydrophobicContact CD2-CE2 4.08Å; F170-F241 HydrophobicContact CD2-CG 4.37Å; F170-F241 AromaticContact CD2-CZ 3.84Å; F170-F241 HydrophobicContact CD2-CZ 3.84Å; F170-F241 HydrophobicContact CE2-CE2 4.41Å; F170-F241 HydrophobicContact CE2-CZ 4.45Å; F170-F241 HydrophobicContact CG-CE1 4.35Å; P178-F241 HydrophobicContact CG-CE1 4.14Å; P178-F241 HydrophobicContact CG-CE2 4.32Å; P178-F241 HydrophobicContact CG-CZ 3.45Å; P178-F241 VanDerWaalsContact CG-CZ 3.45Å; F182-F241 HydrophobicContact CD1-CZ 4.28Å; F182-F241 AromaticContact CE1-CE2 3.93Å; F182-F241 HydrophobicContact CE1-CE2 3.93Å; F182-F241 HydrophobicContact CE1-CZ 4.04Å; V183-F241 HydrophobicContact CG2-CE1 4.03Å; V183-F241 HydrophobicContact CG2-CZ 4.21Å; L187-F241 HydrophobicContact CD1-CD1 4.03Å; L187-F241 HydrophobicContact CD1-CD2 3.99Å; L187-F241 HydrophobicContact CD1-CE1 3.84Å; L187-F241 HydrophobicContact CD1-CE2 3.81Å; L187-F241 HydrophobicContact CD1-CG 4.05Å; L187-F241 HydrophobicContact CD1-CZ 3.69Å; L187-F241 HydrophobicContact CD2-CE2 4.42Å; Y228-F241 PolarHBondContact OH-O 3.21Å; C237-F241 WeakPolarHBondContact O-CD2 3.4Å; W238-F241 HydrophobicContact CE3-CB 3.9Å; W238-F241 HydrophobicContact CZ3-CB 4.49Å; W238-F241 PolarHBondContact O-N 3.44Å; E239-F241 WeakPolarHBondContact O-CD2 3.49Å; E239-F241 PolarHBondContact O-N 3.33Å
242V82.6Confident74.5Confident33 Ų3365.4 Ų65.420%0.235%0.345CS..EExtended strand (participates in β ladder)trans-110.8120.5170.3171.10000110.2C169 Q171 L244C169-V242 PolarHBondContact N-O 2.93Å; C169-V242 PolarHBondContact O-N 2.73Å; Q171-V242 HydrophobicContact CG-CG2 4.37Å; Q171-V242 VanDerWaalsContact NE2-CG2 3.29Å; V242-L244 HydrophobicContact CG1-CD2 4.01Å
243V82Confident74.9Confident16 Ų1661.4 Ų61.410%0.09733%0.332CS..EExtended strand (participates in β ladder)trans-86.8128.6172.3167.30000109.7V166 I168 F224 L225 Y228 W238V166-V243 HydrophobicContact CG1-CG1 3.83Å; I168-V243 HydrophobicContact CG1-CG2 4.24Å; I168-V243 HydrophobicContact CG2-CG2 4.22Å; F224-V243 HydrophobicContact CE1-CG1 3.81Å; F224-V243 HydrophobicContact CE1-CG2 4.3Å; F224-V243 HydrophobicContact CZ-CG2 4.35Å; L225-V243 HydrophobicContact CD2-CG1 3.89Å; Y228-V243 HydrophobicContact CD1-CB 3.8Å; Y228-V243 HydrophobicContact CD1-CG1 4.02Å; Y228-V243 HydrophobicContact CD1-CG2 4.16Å; Y228-V243 HydrophobicContact CD2-CB 4.07Å; Y228-V243 HydrophobicContact CD2-CG2 3.5Å; Y228-V243 HydrophobicContact CE1-CB 3.53Å; Y228-V243 HydrophobicContact CE1-CG1 4.19Å; Y228-V243 HydrophobicContact CE1-CG2 4.05Å; Y228-V243 HydrophobicContact CE2-CB 3.82Å; Y228-V243 HydrophobicContact CE2-CG2 3.37Å; Y228-V243 HydrophobicContact CG-CB 4.05Å; Y228-V243 HydrophobicContact CG-CG1 4.29Å; Y228-V243 HydrophobicContact CG-CG2 3.89Å; Y228-V243 PolarHBondContact OH-N 3.16Å; W238-V243 HydrophobicContact CE3-CG2 4.31Å; W238-V243 HydrophobicContact CH2-CG2 4.19Å; W238-V243 HydrophobicContact CZ3-CG2 3.57Å
244L75.5Confident75.5Confident47 Ų4755.4 Ų55.425%0.24630%0.303CS..EExtended strand (participates in β ladder)trans-105.4108.8169.8-53.8177.4000108R167 V242 R246 L251R167-L244 HydrophobicContact CB-CB 4.29Å; R167-L244 PolarHBondContact N-O 2.75Å; R167-L244 PolarHBondContact O-N 3.47Å; V242-L244 HydrophobicContact CG1-CD2 4.01Å; L244-R246 WeakPolarHBondContact O-CG 3.5Å; L244-R246 PolarHBondContact O-N 2.88Å; L244-L251 HydrophobicContact CD1-CD1 4.21Å
245G58.7Low76.3Confident36 Ų3650.9 Ų50.937%0.37128%0.282SS..EExtended strand (participates in β ladder)trans-70.5115.9174.600000111.8
246R60.5Low77Confident31 Ų3148 Ų4812%0.11727%0.268CS..EExtended strand (participates in β ladder)trans-114.964.9-171-62.8169.275-175.914.4112.9L165 D212 L244 L251L165-R246 HydrophobicContact CD2-CB 4.32Å; L165-R246 VanDerWaalsContact CD2-NH1 3.29Å; L165-R246 CarbonylContact O-C 3.44Å; L165-R246 VanDerWaalsContact O-CA 3.32Å; L165-R246 WeakPolarHBondContact O-CA 3.44Å; L165-R246 VanDerWaalsContact O-CB 3.27Å; L165-R246 WeakPolarHBondContact O-CB 3.11Å; L165-R246 PolarHBondContact O-N 3.44Å; L165-R246 VanDerWaalsContact O-N 3.1Å; D212-R246 IonicContact OD1-NH1 2.75Å; D212-R246 PolarHBondContact OD1-NH1 2.83Å; D212-R246 IonicContact OD2-NH1 3.72Å; D212-R246 PolarHBondContact OD2-NH1 3.29Å; L244-R246 WeakPolarHBondContact O-CG 3.5Å; L244-R246 PolarHBondContact O-N 2.88Å; R246-L251 PolarHBondContact NH2-O 3.06Å
247S49.3Very low77.6Confident109 Ų10943.3 Ų43.376%0.76224%0.243SC*.  trans-64.8-24.3146590000111.4S249S247-S249 PolarHBondContact O-N 2.62Å
248K56.5Low78.1Confident99 Ų9941.7 Ų41.743%0.4323%0.231SC..  trans-70.1101.6178.8-76.4-178.1164.8-158.90113.3S250 E301K248-S250 WeakPolarHBondContact CB-OG 3.27Å; K248-S250 PolarHBondContact O-N 3.12Å; K248-E301 VanDerWaalsContact CD-OE1 3.26Å; K248-E301 WeakPolarHBondContact CD-OE1 3.4Å; K248-E301 WeakPolarHBondContact CE-OE1 3.47Å; K248-E301 IonicContact NZ-OE1 3.51Å; K248-E301 PolarHBondContact NZ-OE1 2.83Å; K248-E301 IonicContact NZ-OE2 2.69Å; K248-E301 PolarHBondContact NZ-OE2 2.82Å
249S58.5Low78.1Confident82 Ų8249.9 Ų49.957%0.57326%0.262SS*.THydrogen-bonded Turntrans-63.3-12.5166.159.70000113.9S247 K252S247-S249 PolarHBondContact O-N 2.62Å; S249-K252 WeakPolarHBondContact O-CE 3.5Å; S249-K252 PolarHBondContact O-NZ 3.1Å
250S70.4Confident78.1Confident4 Ų445.8 Ų45.83%0.02825%0.245CC..THydrogen-bonded Turntrans-75.9-31-179.648.80000115.2K248 E301 L302K248-S250 WeakPolarHBondContact CB-OG 3.27Å; K248-S250 PolarHBondContact O-N 3.12Å; S250-E301 PolarHBondContact OG-OE1 3.41Å; S250-L302 WeakPolarHBondContact CB-O 3.49Å; S250-L302 WeakPolarHBondContact O-CB 2.86Å; S250-L302 VanDerWaalsContact O-CG 3.31Å; S250-L302 WeakPolarHBondContact O-CG 3.46Å; S250-L302 PolarHBondContact O-N 3.25Å
251L80.4Confident77.8Confident14 Ų1449.3 Ų49.37%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-79.4123.8-173.9-169.4154.6000112.1L244 R246 L279 I300L244-L251 HydrophobicContact CD1-CD1 4.21Å; R246-L251 PolarHBondContact NH2-O 3.06Å; L251-L279 HydrophobicContact CD1-CD1 3.92Å; L251-L279 HydrophobicContact CG-CD1 4.18Å; L251-I300 WeakPolarHBondContact CA-O 3.42Å
252K83.4Confident77.6Confident34 Ų3453.2 Ų53.215%0.14828%0.284CS..EExtended strand (participates in β ladder)trans-136.4138.7-175.8-54.5-63.7178-178.80112.6S249 L254 I300 L302 Y327 K328S249-K252 WeakPolarHBondContact O-CE 3.5Å; S249-K252 PolarHBondContact O-NZ 3.1Å; K252-L254 PolarHBondContact O-N 3.1Å; K252-I300 HydrophobicContact CB-CG1 4.07Å; K252-I300 PolarHBondContact N-O 3.09Å; K252-I300 WeakPolarHBondContact O-CG1 3.38Å; K252-I300 PolarHBondContact O-N 2.75Å; K252-L302 HydrophobicContact CD-CD1 4.4Å; K252-L302 HydrophobicContact CG-CD1 3.7Å; K252-L302 HydrophobicContact CG-CG 4.09Å; K252-Y327 HydrophobicContact CB-CD2 4.21Å; K252-Y327 HydrophobicContact CB-CG 4Å; K252-Y327 HydrophobicContact CD-CD2 3.55Å; K252-Y327 HydrophobicContact CD-CE2 4.13Å; K252-Y327 HydrophobicContact CD-CG 4.2Å; K252-Y327 HydrophobicContact CG-CD2 3.58Å; K252-Y327 HydrophobicContact CG-CE2 4.02Å; K252-Y327 HydrophobicContact CG-CG 3.88Å; K252-K328 PolarHBondContact NZ-O 3.18Å
253T87.9Confident77.6Confident19 Ų1952.2 Ų52.212%0.11728%0.278CS..EExtended strand (participates in β ladder)trans-69118.6149.9-42.40000107.6R167 E210 F255 K297 C298 Y327R167-T253 PolarHBondContact NH1-OG1 3.25Å; R167-T253 PolarHBondContact NH2-OG1 3.49Å; E210-T253 PolarHBondContact OE2-OG1 3.08Å; T253-F255 HydrophobicContact CG2-CE2 3.87Å; T253-F255 HydrophobicContact CG2-CZ 4.09Å; T253-K297 HydrophobicContact CG2-CD 4.31Å; T253-K297 HydrophobicContact CG2-CG 3.95Å; T253-C298 WeakPolarHBondContact CA-O 3.48Å; T253-Y327 WeakPolarHBondContact O-CB 3.16Å
254L91.1Very high77.9Confident0 Ų055.3 Ų55.30%029%0.294CS..EExtended strand (participates in β ladder)trans-103.8134.9175.8170.970.2000109.8K252 I256 L272 C298 I300 L312 Y327K252-L254 PolarHBondContact O-N 3.1Å; L254-I256 HydrophobicContact CD1-CG1 4.39Å; L254-I256 HydrophobicContact CD2-CD1 3.8Å; L254-I256 HydrophobicContact CD2-CG1 3.87Å; L254-I256 HydrophobicContact CG-CD1 4.35Å; L254-I256 HydrophobicContact CG-CG1 3.89Å; L254-L272 HydrophobicContact CD2-CD1 4.46Å; L254-L272 HydrophobicContact CD2-CD2 3.41Å; L254-L272 VanDerWaalsContact CD2-CD2 3.41Å; L254-C298 PolarHBondContact N-O 2.8Å; L254-C298 PolarHBondContact O-N 3.43Å; L254-I300 HydrophobicContact CB-CD1 4.03Å; L254-I300 HydrophobicContact CB-CG1 4Å; L254-I300 HydrophobicContact CB-CG2 4.42Å; L254-I300 HydrophobicContact CD2-CD1 4.07Å; L254-I300 HydrophobicContact CD2-CG2 4.3Å; L254-L312 HydrophobicContact CD1-CD2 4.25Å; L254-L312 HydrophobicContact CD2-CD2 3.73Å; L254-Y327 HydrophobicContact CD1-CD1 3.8Å
255F93.1Very high78.5Confident59 Ų5955 Ų5526%0.25929%0.294SS..EExtended strand (participates in β ladder)trans-109.3141.4168.4-62.8-94.9000109.7T253 Y296 K297 S325 W326T253-F255 HydrophobicContact CG2-CE2 3.87Å; T253-F255 HydrophobicContact CG2-CZ 4.09Å; F255-Y296 CarbonylContact C-O 3.49Å; F255-Y296 WeakPolarHBondContact CA-O 3.44Å; F255-K297 HydrophobicContact CD1-CB 4.46Å; F255-K297 HydrophobicContact CE1-CB 4.37Å; F255-K297 HydrophobicContact CE1-CD 4.37Å; F255-K297 HydrophobicContact CE1-CG 4.15Å; F255-K297 HydrophobicContact CZ-CG 4.47Å; F255-S325 WeakPolarHBondContact O-CA 3.3Å; F255-W326 HydrophobicContact CB-CD2 3.74Å; F255-W326 HydrophobicContact CB-CE3 4.16Å; F255-W326 HydrophobicContact CB-CG 4.3Å; F255-W326 HydrophobicContact CB-CH2 3.88Å; F255-W326 HydrophobicContact CB-CZ2 3.45Å; F255-W326 VanDerWaalsContact CB-CZ2 3.45Å; F255-W326 HydrophobicContact CB-CZ3 4.21Å; F255-W326 HydrophobicContact CG-CZ2 4.17Å; F255-W326 AromaticContact CG-NE1 3.98Å; F255-W326 PolarHBondContact N-O 3.44Å; F255-W326 PolarHBondContact O-N 2.87Å
256I93.4Very high79.9Confident0 Ų059.4 Ų59.40%031%0.305CS..EExtended strand (participates in β ladder)trans-133.9126.8178.8-49.9176.2000109.1L254 F258 I268 L272 E295 Y296 F316 Y324L254-I256 HydrophobicContact CD1-CG1 4.39Å; L254-I256 HydrophobicContact CD2-CD1 3.8Å; L254-I256 HydrophobicContact CD2-CG1 3.87Å; L254-I256 HydrophobicContact CG-CD1 4.35Å; L254-I256 HydrophobicContact CG-CG1 3.89Å; I256-F258 HydrophobicContact CG2-CD2 4.12Å; I256-F258 HydrophobicContact CG2-CE2 3.48Å; I256-F258 VanDerWaalsContact CG2-CE2 3.48Å; I256-F258 HydrophobicContact CG2-CZ 4.03Å; I256-I268 HydrophobicContact CD1-CG2 3.56Å; I256-L272 HydrophobicContact CD1-CD1 4.06Å; I256-L272 HydrophobicContact CD1-CD2 4.09Å; I256-L272 HydrophobicContact CD1-CG 4.34Å; I256-E295 CarbonylContact O-C 3.55Å; I256-E295 WeakPolarHBondContact O-CA 3.26Å; I256-Y296 PolarHBondContact N-O 3.28Å; I256-Y296 PolarHBondContact O-N 3.32Å; I256-F316 HydrophobicContact CG2-CE1 4.01Å; I256-F316 HydrophobicContact CG2-CZ 3.81Å; I256-Y324 CarbonylContact C-O 3.57Å; I256-Y324 VanDerWaalsContact CA-O 3.23Å; I256-Y324 WeakPolarHBondContact CA-O 3.43Å; I256-Y324 WeakPolarHBondContact CG2-O 3.27Å
257L92.8Very high81.3Confident52 Ų5258.2 Ų58.227%0.27230%0.301SS..EExtended strand (participates in β ladder)trans-113.5131.1176.7173.866.7000109.8E295 G323 Y324 W326L257-E295 HydrophobicContact CB-CG 4.48Å; L257-E295 HydrophobicContact CD1-CG 3.96Å; L257-G323 WeakPolarHBondContact O-CA 3.28Å; L257-Y324 PolarHBondContact N-O 3.48Å; L257-Y324 PolarHBondContact O-N 3.49Å; L257-W326 HydrophobicContact CB-CH2 3.74Å; L257-W326 HydrophobicContact CB-CZ3 3.54Å
258F90.3Very high83.2Confident5 Ų553 Ų532%0.02227%0.265CS..  trans-111.6155.4162.8-66.9-86.5000109.5I256 V263 I268 G294 Y296 F316 L318 E321 G323I256-F258 HydrophobicContact CG2-CD2 4.12Å; I256-F258 HydrophobicContact CG2-CE2 3.48Å; I256-F258 VanDerWaalsContact CG2-CE2 3.48Å; I256-F258 HydrophobicContact CG2-CZ 4.03Å; F258-V263 HydrophobicContact CB-CG2 4.43Å; F258-V263 HydrophobicContact CD1-CB 4.34Å; F258-V263 HydrophobicContact CD1-CG1 4.21Å; F258-V263 HydrophobicContact CD1-CG2 3.83Å; F258-V263 HydrophobicContact CD2-CB 4.34Å; F258-V263 HydrophobicContact CD2-CG1 4.14Å; F258-V263 HydrophobicContact CE1-CG1 3.94Å; F258-V263 HydrophobicContact CE1-CG2 4.23Å; F258-V263 HydrophobicContact CE2-CG1 3.86Å; F258-V263 HydrophobicContact CG-CB 4.23Å; F258-V263 HydrophobicContact CG-CG1 4.3Å; F258-V263 HydrophobicContact CG-CG2 4.05Å; F258-V263 HydrophobicContact CZ-CG1 3.76Å; F258-I268 HydrophobicContact CD2-CD1 4.28Å; F258-I268 HydrophobicContact CE2-CD1 3.61Å; F258-I268 HydrophobicContact CE2-CG1 3.78Å; F258-I268 HydrophobicContact CZ-CD1 4.41Å; F258-I268 HydrophobicContact CZ-CG1 4.1Å; F258-G294 PolarHBondContact N-O 3.44Å; F258-Y296 HydrophobicContact CD2-CD2 4.13Å; F258-Y296 HydrophobicContact CD2-CE2 4.06Å; F258-Y296 HydrophobicContact CE2-CD2 4.41Å; F258-Y296 HydrophobicContact CE2-CE2 4.48Å; F258-F316 HydrophobicContact CE1-CE2 4.14Å; F258-F316 HydrophobicContact CE1-CZ 4.14Å; F258-F316 HydrophobicContact CE2-CZ 4.42Å; F258-F316 AromaticContact CZ-CE2 3.82Å; F258-F316 HydrophobicContact CZ-CE2 3.82Å; F258-F316 AromaticContact CZ-CZ 3.6Å; F258-F316 HydrophobicContact CZ-CZ 3.6Å; F258-L318 HydrophobicContact CE1-CB 4.23Å; F258-L318 HydrophobicContact CE1-CD2 4.26Å; F258-L318 HydrophobicContact CZ-CD2 3.92Å; F258-E321 HydrophobicContact CD1-CB 4.48Å; F258-G323 VanDerWaalsContact CE1-CA 3.43Å
259R84.3Confident84.8Confident179 Ų17949.1 Ų49.168%0.67525%0.249SC*.SBendtrans-106.512.7175.9-59.3-177.6-57.9165.911.6112.4
260N79.4Confident86.3Confident54 Ų5446.7 Ų46.729%0.28923%0.23SC..SBendtrans-138.4143174.6-171.3-7.5000106.7T262 E321N260-T262 PolarHBondContact ND2-OG1 2.84Å; N260-T262 PolarHBondContact OD1-N 3.49Å; N260-T262 PolarHBondContact OD1-OG1 3.46Å; N260-E321 HydrophobicContact CB-CG 4.11Å; N260-E321 WeakPolarHBondContact CB-OE2 3.49Å; N260-E321 VanDerWaalsContact ND2-CD 3.33Å; N260-E321 PolarHBondContact ND2-OE1 3.44Å
261E78.9Confident87.3Confident149 Ų14946.9 Ų46.970%0.69623%0.231SC*.SBendtrans-82.6-19.2-175.560.4-172.7171.100113.7V263 W292E261-V263 PolarHBondContact O-N 2.83Å; E261-W292 HydrophobicContact CB-CZ3 3.79Å
262T80.4Confident87.9Confident96 Ų9646.2 Ų46.259%0.58923%0.227SC*.  trans-73.926.2-173.665.60000114.9N260N260-T262 PolarHBondContact ND2-OG1 2.84Å; N260-T262 PolarHBondContact OD1-N 3.49Å; N260-T262 PolarHBondContact OD1-OG1 3.46Å
263V83.7Confident88.2Confident11 Ų1150.3 Ų50.37%0.06725%0.245CC..  trans-112.6107.5-176.2-177.30000110.6F258 E261 I268 Y296 L318 E321F258-V263 HydrophobicContact CB-CG2 4.43Å; F258-V263 HydrophobicContact CD1-CB 4.34Å; F258-V263 HydrophobicContact CD1-CG1 4.21Å; F258-V263 HydrophobicContact CD1-CG2 3.83Å; F258-V263 HydrophobicContact CD2-CB 4.34Å; F258-V263 HydrophobicContact CD2-CG1 4.14Å; F258-V263 HydrophobicContact CE1-CG1 3.94Å; F258-V263 HydrophobicContact CE1-CG2 4.23Å; F258-V263 HydrophobicContact CE2-CG1 3.86Å; F258-V263 HydrophobicContact CG-CB 4.23Å; F258-V263 HydrophobicContact CG-CG1 4.3Å; F258-V263 HydrophobicContact CG-CG2 4.05Å; F258-V263 HydrophobicContact CZ-CG1 3.76Å; E261-V263 PolarHBondContact O-N 2.83Å; V263-I268 HydrophobicContact CG1-CD1 4.05Å; V263-I268 HydrophobicContact CG1-CG1 3.88Å; V263-Y296 PolarHBondContact O-OH 2.89Å; V263-L318 HydrophobicContact CG1-CD2 3.75Å; V263-E321 HydrophobicContact CG2-CB 4.08Å; V263-E321 HydrophobicContact CG2-CG 4.01Å
264D87.1Confident88.1Confident81 Ų8153.8 Ų53.843%0.43326%0.256SS..  trans-68.4145.9-179.2-71.3-64.2000114.3E266 D267 I268 V388D264-E266 VanDerWaalsContact C-N 3.3Å; D264-E266 PolarHBondContact O-N 2.96Å; D264-D267 PolarHBondContact O-N 3.45Å; D264-I268 WeakPolarHBondContact O-CG1 3.31Å; D264-I268 PolarHBondContact O-N 3.08Å; D264-V388 HydrophobicContact CB-CB 4.18Å; D264-V388 HydrophobicContact CB-CG2 3.67Å
265V88.5Confident87.9Confident42 Ų4256.1 Ų56.126%0.25527%0.267SS..Hα-helixtrans-63.4-35.2178.9177.60000111.9D267 I268 V269 V281 P282 Y296V265-D267 VanDerWaalsContact C-N 3.34Å; V265-D267 PolarHBondContact O-N 3.16Å; V265-I268 PolarHBondContact O-N 2.95Å; V265-V269 HydrophobicContact CG1-CG2 4.39Å; V265-V269 WeakPolarHBondContact O-CB 3.42Å; V265-V269 VanDerWaalsContact O-CG2 3.31Å; V265-V269 WeakPolarHBondContact O-CG2 3.32Å; V265-V269 PolarHBondContact O-N 2.98Å; V265-V281 HydrophobicContact CG1-CG1 3.77Å; V265-P282 HydrophobicContact CG1-CB 4.22Å; V265-P282 HydrophobicContact CG1-CG 4.35Å; V265-Y296 HydrophobicContact CG2-CD1 4.37Å; V265-Y296 HydrophobicContact CG2-CE1 3.61Å
266E88.5Confident87.6Confident128 Ų12853.3 Ų53.360%0.59826%0.255SS*.Hα-helixtrans-67.6-34.1179-55.2-162.5158.500112.8D264 V269 T270 V388D264-E266 VanDerWaalsContact C-N 3.3Å; D264-E266 PolarHBondContact O-N 2.96Å; E266-V269 PolarHBondContact O-N 3.39Å; E266-T270 VanDerWaalsContact O-CB 3.22Å; E266-T270 WeakPolarHBondContact O-CB 3.23Å; E266-T270 PolarHBondContact O-N 2.86Å; E266-T270 PolarHBondContact O-OG1 3.23Å; E266-V388 HydrophobicContact CB-CG2 3.71Å; E266-V388 HydrophobicContact CG-CG2 4.25Å
267D88.8Confident87.3Confident6 Ų656.7 Ų56.73%0.03227%0.273CS..Hα-helixtrans-70.7-40.7175.8-92.429.4000110.9D264 V265 T270 W271 L318 L373 F381 A387 V388D264-D267 PolarHBondContact O-N 3.45Å; V265-D267 VanDerWaalsContact C-N 3.34Å; V265-D267 PolarHBondContact O-N 3.16Å; D267-T270 PolarHBondContact O-N 3.29Å; D267-W271 WeakPolarHBondContact O-CB 3.45Å; D267-W271 PolarHBondContact O-N 2.93Å; D267-L318 HydrophobicContact CB-CD2 4.27Å; D267-L373 HydrophobicContact CB-CD1 3.93Å; D267-L373 WeakPolarHBondContact O-CD1 3.26Å; D267-L373 WeakPolarHBondContact OD2-CD2 3.32Å; D267-F381 WeakPolarHBondContact OD2-CE2 3.42Å; D267-F381 WeakPolarHBondContact OD2-CZ 3.45Å; D267-A387 VanDerWaalsContact OD1-CA 3.32Å; D267-A387 WeakPolarHBondContact OD1-CA 3.33Å; D267-V388 PolarHBondContact OD1-N 2.92Å
268I90.5Very high87Confident0 Ų056 Ų560%027%0.271CS..Hα-helixtrans-58.6-49.2170.7-62.8168.5000110I256 F258 V263 D264 V265 T270 W271 L272 P282 Y296 L318I256-I268 HydrophobicContact CD1-CG2 3.56Å; F258-I268 HydrophobicContact CD2-CD1 4.28Å; F258-I268 HydrophobicContact CE2-CD1 3.61Å; F258-I268 HydrophobicContact CE2-CG1 3.78Å; F258-I268 HydrophobicContact CZ-CD1 4.41Å; F258-I268 HydrophobicContact CZ-CG1 4.1Å; V263-I268 HydrophobicContact CG1-CD1 4.05Å; V263-I268 HydrophobicContact CG1-CG1 3.88Å; D264-I268 WeakPolarHBondContact O-CG1 3.31Å; D264-I268 PolarHBondContact O-N 3.08Å; V265-I268 PolarHBondContact O-N 2.95Å; I268-T270 VanDerWaalsContact C-N 3.35Å; I268-T270 PolarHBondContact O-N 3.33Å; I268-W271 PolarHBondContact O-N 2.68Å; I268-L272 HydrophobicContact CG2-CD1 3.92Å; I268-L272 HydrophobicContact CG2-CG 4.32Å; I268-L272 WeakPolarHBondContact O-CB 3.34Å; I268-L272 VanDerWaalsContact O-CG 3.24Å; I268-L272 WeakPolarHBondContact O-CG 3.2Å; I268-L272 PolarHBondContact O-N 3.22Å; I268-P282 HydrophobicContact CG2-CB 4.45Å; I268-P282 HydrophobicContact CG2-CG 3.93Å; I268-Y296 HydrophobicContact CD1-CD1 4.41Å; I268-Y296 HydrophobicContact CD1-CD2 3.54Å; I268-Y296 HydrophobicContact CD1-CE1 4.27Å; I268-Y296 HydrophobicContact CD1-CE2 3.34Å; I268-Y296 HydrophobicContact CD1-CG 4.07Å; I268-L318 HydrophobicContact CG1-CD2 4.2Å
269V90.5Very high86.6Confident17 Ų1760.2 Ų60.210%0.10329%0.293CS..Hα-helixtrans-61.2-41.5177.6167.70000111.8V265 E266 L272 K273 P282V265-V269 HydrophobicContact CG1-CG2 4.39Å; V265-V269 WeakPolarHBondContact O-CB 3.42Å; V265-V269 VanDerWaalsContact O-CG2 3.31Å; V265-V269 WeakPolarHBondContact O-CG2 3.32Å; V265-V269 PolarHBondContact O-N 2.98Å; E266-V269 PolarHBondContact O-N 3.39Å; V269-L272 PolarHBondContact O-N 3.43Å; V269-K273 HydrophobicContact CG1-CD 3.84Å; V269-K273 HydrophobicContact CG1-CG 4.43Å; V269-K273 WeakPolarHBondContact O-CB 3.49Å; V269-K273 VanDerWaalsContact O-CG 3.26Å; V269-K273 WeakPolarHBondContact O-CG 3.37Å; V269-K273 PolarHBondContact O-N 3.28Å; V269-P282 HydrophobicContact CG2-CG 3.88Å
270T89.9Confident86.5Confident30 Ų3053.7 Ų53.718%0.18428%0.277CS..Hα-helixtrans-68.6-35.7179.7-70.20000112E266 D267 I268 L373 K386E266-T270 VanDerWaalsContact O-CB 3.22Å; E266-T270 WeakPolarHBondContact O-CB 3.23Å; E266-T270 PolarHBondContact O-N 2.86Å; E266-T270 PolarHBondContact O-OG1 3.23Å; D267-T270 PolarHBondContact O-N 3.29Å; I268-T270 VanDerWaalsContact C-N 3.35Å; I268-T270 PolarHBondContact O-N 3.33Å; T270-L373 HydrophobicContact CG2-CD1 3.72Å; T270-L373 HydrophobicContact CG2-CD2 4.43Å; T270-L373 HydrophobicContact CG2-CG 3.86Å; T270-K386 HydrophobicContact CG2-CB 4.29Å; T270-K386 HydrophobicContact CG2-CD 4.22Å
271W91.3Very high86.7Confident8 Ų855.9 Ų55.93%0.0329%0.292CS..Hα-helixtrans-67.2-50.1169.9-178.686.7000111.5D267 I268 K273 R274 H275 L312 P313 F316 L318 L373D267-W271 WeakPolarHBondContact O-CB 3.45Å; D267-W271 PolarHBondContact O-N 2.93Å; I268-W271 PolarHBondContact O-N 2.68Å; W271-K273 VanDerWaalsContact C-N 3.34Å; W271-K273 PolarHBondContact O-N 3.29Å; W271-R274 WeakPolarHBondContact O-CB 3.12Å; W271-R274 PolarHBondContact O-N 3.23Å; W271-R274 VanDerWaalsContact O-N 3.08Å; W271-H275 AromaticContact CE2-CD2 3.7Å; W271-H275 AromaticContact CE2-NE2 3.82Å; W271-H275 AromaticContact CZ2-CD2 3.78Å; W271-H275 AromaticContact CZ2-NE2 3.93Å; W271-H275 AromaticContact NE1-NE2 3.79Å; W271-H275 PolarHBondContact O-CD2 3.34Å; W271-L312 HydrophobicContact CH2-CD2 4.12Å; W271-L312 HydrophobicContact CH2-CG 4.45Å; W271-L312 HydrophobicContact CZ3-CD2 3.89Å; W271-P313 HydrophobicContact CH2-CG 4.17Å; W271-P313 HydrophobicContact CZ2-CG 3.96Å; W271-F316 AromaticContact CD2-CD2 3.93Å; W271-F316 HydrophobicContact CD2-CD2 3.93Å; W271-F316 AromaticContact CD2-CE2 3.91Å; W271-F316 HydrophobicContact CD2-CE2 3.91Å; W271-F316 AromaticContact CE2-CD2 3.53Å; W271-F316 AromaticContact CE2-CG 3.84Å; W271-F316 HydrophobicContact CE3-CD2 4.34Å; W271-F316 HydrophobicContact CE3-CE2 4.02Å; W271-F316 HydrophobicContact CE3-CZ 4.17Å; W271-F316 HydrophobicContact CG-CD2 4.47Å; W271-F316 HydrophobicContact CG-CE2 4.42Å; W271-F316 HydrophobicContact CH2-CB 4.25Å; W271-F316 AromaticContact CH2-CD1 3.69Å; W271-F316 HydrophobicContact CH2-CD1 3.69Å; W271-F316 HydrophobicContact CH2-CD2 4.11Å; W271-F316 HydrophobicContact CH2-CE1 4Å; W271-F316 HydrophobicContact CH2-CE2 4.38Å; W271-F316 AromaticContact CH2-CG 3.76Å; W271-F316 HydrophobicContact CH2-CG 3.76Å; W271-F316 HydrophobicContact CH2-CZ 4.33Å; W271-F316 HydrophobicContact CZ2-CB 3.6Å; W271-F316 AromaticContact CZ2-CD1 3.9Å; W271-F316 HydrophobicContact CZ2-CD1 3.9Å; W271-F316 AromaticContact CZ2-CD2 3.67Å; W271-F316 HydrophobicContact CZ2-CD2 3.67Å; W271-F316 HydrophobicContact CZ2-CE1 4.49Å; W271-F316 HydrophobicContact CZ2-CE2 4.28Å; W271-F316 AromaticContact CZ2-CG 3.45Å; W271-F316 HydrophobicContact CZ2-CG 3.45Å; W271-F316 VanDerWaalsContact CZ2-CG 3.45Å; W271-F316 HydrophobicContact CZ3-CD1 4.22Å; W271-F316 HydrophobicContact CZ3-CD2 4.42Å; W271-F316 HydrophobicContact CZ3-CE1 4.05Å; W271-F316 HydrophobicContact CZ3-CE2 4.24Å; W271-F316 HydrophobicContact CZ3-CG 4.41Å; W271-F316 HydrophobicContact CZ3-CZ 4.06Å; W271-F316 AromaticContact NE1-CD2 3.81Å; W271-L318 HydrophobicContact CB-CD1 3.94Å; W271-L318 HydrophobicContact CG-CD1 4.23Å; W271-L373 HydrophobicContact CB-CD1 4.42Å
272L91.4Very high87.2Confident0 Ų049 Ų490%026%0.261CS..Hα-helixtrans-56.2-45.5-179.3-74.6172.3000112.4L254 I256 I268 V269 R274 H275 C276 V278 P282 L312L254-L272 HydrophobicContact CD2-CD1 4.46Å; L254-L272 HydrophobicContact CD2-CD2 3.41Å; L254-L272 VanDerWaalsContact CD2-CD2 3.41Å; I256-L272 HydrophobicContact CD1-CD1 4.06Å; I256-L272 HydrophobicContact CD1-CD2 4.09Å; I256-L272 HydrophobicContact CD1-CG 4.34Å; I268-L272 HydrophobicContact CG2-CD1 3.92Å; I268-L272 HydrophobicContact CG2-CG 4.32Å; I268-L272 WeakPolarHBondContact O-CB 3.34Å; I268-L272 VanDerWaalsContact O-CG 3.24Å; I268-L272 WeakPolarHBondContact O-CG 3.2Å; I268-L272 PolarHBondContact O-N 3.22Å; V269-L272 PolarHBondContact O-N 3.43Å; L272-R274 PolarHBondContact O-N 3.15Å; L272-H275 PolarHBondContact O-N 3.38Å; L272-C276 PolarHBondContact O-N 3.08Å; L272-C276 VanDerWaalsContact O-O 3.05Å; L272-C276 PolarHBondContact O-SG 2.96Å; L272-V278 HydrophobicContact CB-CG2 3.5Å; L272-V278 HydrophobicContact CD1-CG2 4.11Å; L272-V278 HydrophobicContact CG-CG2 4.44Å; L272-P282 HydrophobicContact CD1-CG 4.1Å; L272-L312 HydrophobicContact CD2-CD2 3.78Å
273K89.9Confident87.6Confident121 Ų12148.4 Ų48.453%0.52626%0.257SS..Hα-helixtrans-55.7-17.4178.8-78.1168.9176.3170.50114.3V269 W271 C276 V278 R303V269-K273 HydrophobicContact CG1-CD 3.84Å; V269-K273 HydrophobicContact CG1-CG 4.43Å; V269-K273 WeakPolarHBondContact O-CB 3.49Å; V269-K273 VanDerWaalsContact O-CG 3.26Å; V269-K273 WeakPolarHBondContact O-CG 3.37Å; V269-K273 PolarHBondContact O-N 3.28Å; W271-K273 VanDerWaalsContact C-N 3.34Å; W271-K273 PolarHBondContact O-N 3.29Å; K273-C276 WeakPolarHBondContact CA-O 3.36Å; K273-V278 HydrophobicContact CG-CG2 4.23Å; K273-R303 PolarHBondContact O-NH1 3.39Å; K273-R303 PolarHBondContact O-NH2 3.3Å
274R87Confident87.9Confident91 Ų9152.6 Ų52.634%0.34327%0.274SS..Hα-helixtrans-80.9-26.2173.1-65.5165.756.4-154.4-4.8113.6W271 L272 R303 N372 L373W271-R274 WeakPolarHBondContact O-CB 3.12Å; W271-R274 PolarHBondContact O-N 3.23Å; W271-R274 VanDerWaalsContact O-N 3.08Å; L272-R274 PolarHBondContact O-N 3.15Å; R274-R303 PolarHBondContact O-NH1 2.72Å; R274-N372 PolarHBondContact NH1-O 3.12Å; R274-L373 WeakPolarHBondContact CD-O 3.48Å; R274-L373 VanDerWaalsContact NH1-C 3.31Å; R274-L373 PolarHBondContact NH1-O 3.08Å
275H85.8Confident88Confident50 Ų5050.6 Ų50.623%0.23127%0.265CS..Hα-helixtrans-109.9-36.8-171.4-65.8-73.7000113.2W271 L272 L312W271-H275 AromaticContact CE2-CD2 3.7Å; W271-H275 AromaticContact CE2-NE2 3.82Å; W271-H275 AromaticContact CZ2-CD2 3.78Å; W271-H275 AromaticContact CZ2-NE2 3.93Å; W271-H275 AromaticContact NE1-NE2 3.79Å; W271-H275 PolarHBondContact O-CD2 3.34Å; L272-H275 PolarHBondContact O-N 3.38Å; H275-L312 HydrophobicContact CB-CD1 4.38Å; H275-L312 HydrophobicContact CB-CG 4.15Å
276C88.2Confident88.1Confident0 Ų052.3 Ų52.30%028%0.275CS..EExtended strand (participates in β ladder)trans-143.7172.4-178.157.30000110.9L272 K273 I300 E301 L302 R303 L312L272-C276 PolarHBondContact O-N 3.08Å; L272-C276 VanDerWaalsContact O-O 3.05Å; L272-C276 PolarHBondContact O-SG 2.96Å; K273-C276 WeakPolarHBondContact CA-O 3.36Å; C276-I300 HydrophobicContact CB-CB 4.35Å; C276-I300 HydrophobicContact CB-CD1 4.03Å; C276-E301 WeakPolarHBondContact CB-O 3.06Å; C276-L302 HydrophobicContact CB-CD2 4.46Å; C276-R303 PolarHBondContact O-NH2 3.44Å; C276-L312 HydrophobicContact CB-CD1 3.92Å
277D85.3Confident88.2Confident71 Ų7149.2 Ų49.238%0.3826%0.263SS..EExtended strand (participates in β ladder)trans-97.1125.3174-62-65.6000108.9I300 E301 R303D277-I300 CarbonylContact O-C 3.57Å; D277-I300 VanDerWaalsContact O-CA 3.31Å; D277-I300 WeakPolarHBondContact O-CA 3.46Å; D277-E301 PolarHBondContact N-O 3.46Å; D277-E301 PolarHBondContact O-N 3.37Å; D277-R303 IonicContact OD1-CZ 3.07Å; D277-R303 IonicContact OD1-NE 2.91Å; D277-R303 PolarHBondContact OD1-NE 2.84Å; D277-R303 IonicContact OD1-NH2 3.27Å; D277-R303 PolarHBondContact OD1-NH2 3.25Å; D277-R303 WeakPolarHBondContact OD2-CG 3.45Å; D277-R303 IonicContact OD2-CZ 3.4Å; D277-R303 IonicContact OD2-NE 3.08Å; D277-R303 PolarHBondContact OD2-NE 3.49Å; D277-R303 IonicContact OD2-NH2 2.75Å
278V86.6Confident88.3Confident38 Ų3859.6 Ų59.623%0.2330%0.301CS..EExtended strand (participates in β ladder)trans-92.4113.3-171.5-179.40000108.7L272 K273 A280L272-V278 HydrophobicContact CB-CG2 3.5Å; L272-V278 HydrophobicContact CD1-CG2 4.11Å; L272-V278 HydrophobicContact CG-CG2 4.44Å; K273-V278 HydrophobicContact CG-CG2 4.23Å; V278-A280 WeakPolarHBondContact CG1-O 3.42Å
279L83.1Confident88.3Confident92 Ų9266.1 Ų66.148%0.48233%0.33SS..SBendtrans-86.8-36.3-177.4-54178.2000111.4L251 E299 E301L251-L279 HydrophobicContact CD1-CD1 3.92Å; L251-L279 HydrophobicContact CG-CD1 4.18Å; L279-E299 HydrophobicContact CB-CB 4.27Å; L279-E299 WeakPolarHBondContact CB-O 3.46Å; L279-E299 PolarHBondContact N-O 3.44Å; L279-E301 HydrophobicContact CD1-CB 4.41Å; L279-E301 HydrophobicContact CD2-CB 4.48Å
280A81.3Confident88.2Confident42 Ų4267.8 Ų67.835%0.34735%0.35SS..SBendtrans-130.2141.7176.200000111.2V278 C298 E299V278-A280 WeakPolarHBondContact CG1-O 3.42Å; A280-C298 WeakPolarHBondContact O-CB 3.31Å; A280-E299 HydrophobicContact CB-CB 4.32Å; A280-E299 PolarHBondContact N-O 3.38Å
281V84.1Confident88.2Confident100 Ų10071.4 Ų71.461%0.60637%0.368SS*.PPolyproline II helixtrans-61.6137.3175.5-1790000109.8V265 V283V265-V281 HydrophobicContact CG1-CG1 3.77Å; V281-V283 PolarHBondContact O-N 3.04Å
282P89.5Confident88.1Confident6 Ų673.8 Ų73.84%0.03938%0.377CS..PPolyproline II helixtrans-58.4123.4176.9-22.432.1000112.8V265 I268 V269 L272 Y296 K297 C298V265-P282 HydrophobicContact CG1-CB 4.22Å; V265-P282 HydrophobicContact CG1-CG 4.35Å; I268-P282 HydrophobicContact CG2-CB 4.45Å; I268-P282 HydrophobicContact CG2-CG 3.93Å; V269-P282 HydrophobicContact CG2-CG 3.88Å; L272-P282 HydrophobicContact CD1-CG 4.1Å; P282-Y296 HydrophobicContact CB-CD1 4.28Å; P282-K297 WeakPolarHBondContact CA-O 3.33Å; P282-C298 HydrophobicContact CB-CB 4.3Å; P282-C298 HydrophobicContact CG-CB 4.13Å
283V88.4Confident88Confident83 Ų8376.9 Ų76.950%0.50340%0.396SS..EExtended strand (participates in β ladder)trans-102.3135.2177.4-173.30000108.8V281 V285 Y296 K297V281-V283 PolarHBondContact O-N 3.04Å; V283-V285 PolarHBondContact O-N 3.26Å; V283-Y296 CarbonylContact O-C 3.46Å; V283-Y296 WeakPolarHBondContact O-CA 3.34Å; V283-K297 PolarHBondContact N-O 3.39Å; V283-K297 PolarHBondContact O-N 3.41Å
284K90.4Very high87.8Confident98 Ų9871.7 Ų71.743%0.42638%0.377SS..EExtended strand (participates in β ladder)trans-61.2127.1171.6-75.4-170.7174.9-167.90109.7W292 Y296K284-W292 HydrophobicContact CB-CG 4.1Å; K284-W292 HydrophobicContact CD-CB 4.48Å; K284-W292 HydrophobicContact CD-CD2 3.79Å; K284-W292 HydrophobicContact CD-CE3 4.26Å; K284-W292 HydrophobicContact CD-CG 3.87Å; K284-W292 HydrophobicContact CG-CD2 4.22Å; K284-W292 HydrophobicContact CG-CG 4.16Å; K284-Y296 HydrophobicContact CB-CE1 4.48Å; K284-Y296 HydrophobicContact CD-CE1 4.26Å; K284-Y296 VanDerWaalsContact CE-OH 3.3Å; K284-Y296 WeakPolarHBondContact CE-OH 3.2Å; K284-Y296 HydrophobicContact CG-CD1 3.88Å; K284-Y296 HydrophobicContact CG-CE1 3.36Å
285V89.1Confident88Confident40 Ų4070 Ų7024%0.24237%0.373CS..EExtended strand (participates in β ladder)trans-84.1114.8174.9-178.60000108.5V283 T293 E295 K297V283-V285 PolarHBondContact O-N 3.26Å; V285-T293 PolarHBondContact O-N 3.35Å; V285-T293 PolarHBondContact O-OG1 3.42Å; V285-E295 HydrophobicContact CB-CB 4.07Å; V285-E295 HydrophobicContact CG2-CB 4.1Å; V285-E295 PolarHBondContact N-O 3.4Å; V285-K297 HydrophobicContact CG2-CB 3.79Å
286T91.1Very high88.3Confident77 Ų7767.8 Ų67.847%0.47236%0.362SS..EExtended strand (participates in β ladder)trans-96.1153.8175.658.30000111.7G290 I291T286-G290 WeakPolarHBondContact CG2-O 3.45Å; T286-I291 CarbonylContact C-O 3.49Å; T286-I291 VanDerWaalsContact CA-O 3.23Å; T286-I291 WeakPolarHBondContact CA-O 3.43Å
287D90.1Very high88.5Confident64 Ų6470.8 Ų70.834%0.34238%0.376SS..  trans-77.7-174.1167.876.8-0.7000111.9F289 G290 I291 T293D287-F289 PolarHBondContact O-N 3.26Å; D287-F289 VanDerWaalsContact O-N 3.12Å; D287-F289 WeakPolarHBondContact OD1-CA 3.24Å; D287-F289 WeakPolarHBondContact OD1-CB 3.42Å; D287-F289 PolarHBondContact OD1-N 3.47Å; D287-F289 WeakPolarHBondContact OD2-CD2 3.26Å; D287-G290 PolarHBondContact O-N 2.7Å; D287-G290 VanDerWaalsContact O-N 3.08Å; D287-G290 PolarHBondContact OD1-N 2.97Å; D287-I291 PolarHBondContact N-O 3.28Å; D287-I291 PolarHBondContact OD1-N 2.59Å; D287-T293 HydrophobicContact CB-CG2 4.27Å
288R90.8Very high88.7Confident223 Ų22367.6 Ų67.684%0.84236%0.359SS*.THydrogen-bonded Turntrans-63.6-12.1179.176.9-176.5-166.3-153.69.4114.9
289F91.4Very high88.6Confident138 Ų13867.6 Ų67.661%0.60536%0.356SS*.THydrogen-bonded Turntrans-103.81.9178.8-55.7-70.7000112D287 I291D287-F289 PolarHBondContact O-N 3.26Å; D287-F289 VanDerWaalsContact O-N 3.12Å; D287-F289 WeakPolarHBondContact OD1-CA 3.24Å; D287-F289 WeakPolarHBondContact OD1-CB 3.42Å; D287-F289 PolarHBondContact OD1-N 3.47Å; D287-F289 WeakPolarHBondContact OD2-CD2 3.26Å; F289-I291 VanDerWaalsContact C-N 3.31Å; F289-I291 HydrophobicContact CB-CD1 4.11Å; F289-I291 HydrophobicContact CB-CG1 4.13Å
290G86.9Confident88.8Confident51 Ų5163.2 Ų63.253%0.52633%0.333SS..SBendtrans81.36.4-174.500000114.1T286 D287T286-G290 WeakPolarHBondContact CG2-O 3.45Å; D287-G290 PolarHBondContact O-N 2.7Å; D287-G290 VanDerWaalsContact O-N 3.08Å; D287-G290 PolarHBondContact OD1-N 2.97Å
291I89.9Confident88.9Confident107 Ų10763.3 Ų63.355%0.54933%0.326SS..  trans-82.9130.4-178.3-57173.1000108.9T286 D287 F289 T293T286-I291 CarbonylContact C-O 3.49Å; T286-I291 VanDerWaalsContact CA-O 3.23Å; T286-I291 WeakPolarHBondContact CA-O 3.43Å; D287-I291 PolarHBondContact N-O 3.28Å; D287-I291 PolarHBondContact OD1-N 2.59Å; F289-I291 VanDerWaalsContact C-N 3.31Å; F289-I291 HydrophobicContact CB-CD1 4.11Å; F289-I291 HydrophobicContact CB-CG1 4.13Å; I291-T293 PolarHBondContact O-N 3.21Å
292W90.4Very high89.1Confident57 Ų5758.6 Ų58.622%0.21630%0.298CS..EExtended strand (participates in β ladder)trans-68.6128.4-180175.744.4000111.8E261 K284 G294 E295 Y296E261-W292 HydrophobicContact CB-CZ3 3.79Å; K284-W292 HydrophobicContact CB-CG 4.1Å; K284-W292 HydrophobicContact CD-CB 4.48Å; K284-W292 HydrophobicContact CD-CD2 3.79Å; K284-W292 HydrophobicContact CD-CE3 4.26Å; K284-W292 HydrophobicContact CD-CG 3.87Å; K284-W292 HydrophobicContact CG-CD2 4.22Å; K284-W292 HydrophobicContact CG-CG 4.16Å; W292-G294 VanDerWaalsContact C-N 3.27Å; W292-G294 VanDerWaalsContact CE2-CA 3.44Å; W292-G294 PolarHBondContact O-N 3.18Å; W292-E295 PolarHBondContact NE1-O 3.19Å; W292-Y296 HydrophobicContact CH2-CE2 4.07Å; W292-Y296 HydrophobicContact CZ2-CD2 4.09Å; W292-Y296 HydrophobicContact CZ2-CE1 4.37Å; W292-Y296 AromaticContact CZ2-CE2 3.43Å; W292-Y296 HydrophobicContact CZ2-CE2 3.43Å; W292-Y296 VanDerWaalsContact CZ2-CE2 3.43Å; W292-Y296 AromaticContact CZ2-CZ 3.61Å
293T87.9Confident88.9Confident65 Ų6562.1 Ų62.140%0.39931%0.31SS..EExtended strand (participates in β ladder)trans-79.50-175.859.70000115.1V285 D287 I291 E295V285-T293 PolarHBondContact O-N 3.35Å; V285-T293 PolarHBondContact O-OG1 3.42Å; D287-T293 HydrophobicContact CB-CG2 4.27Å; I291-T293 PolarHBondContact O-N 3.21Å; T293-E295 PolarHBondContact O-N 2.96Å; T293-E295 WeakPolarHBondContact OG1-CB 3.42Å; T293-E295 PolarHBondContact OG1-N 3.01Å
294G87.3Confident88.6Confident13 Ų1365.8 Ų65.813%0.13432%0.322CS..EExtended strand (participates in β ladder)trans82.7-8.6-166.500000113.9F258 W292F258-G294 PolarHBondContact N-O 3.44Å; W292-G294 VanDerWaalsContact C-N 3.27Å; W292-G294 VanDerWaalsContact CE2-CA 3.44Å; W292-G294 PolarHBondContact O-N 3.18Å
295E91.4Very high87.6Confident55 Ų5562.6 Ų62.626%0.25732%0.317SS..EExtended strand (participates in β ladder)trans-94.2148.9-179.3-56.2-17314600113.3I256 L257 V285 W292 T293 W326I256-E295 CarbonylContact O-C 3.55Å; I256-E295 WeakPolarHBondContact O-CA 3.26Å; L257-E295 HydrophobicContact CB-CG 4.48Å; L257-E295 HydrophobicContact CD1-CG 3.96Å; V285-E295 HydrophobicContact CB-CB 4.07Å; V285-E295 HydrophobicContact CG2-CB 4.1Å; V285-E295 PolarHBondContact N-O 3.4Å; W292-E295 PolarHBondContact NE1-O 3.19Å; T293-E295 PolarHBondContact O-N 2.96Å; T293-E295 WeakPolarHBondContact OG1-CB 3.42Å; T293-E295 PolarHBondContact OG1-N 3.01Å; E295-W326 HydrophobicContact CG-CH2 4.16Å; E295-W326 VanDerWaalsContact OE1-CH2 3.25Å; E295-W326 WeakPolarHBondContact OE1-CH2 3.36Å; E295-W326 VanDerWaalsContact OE1-CZ2 3.22Å; E295-W326 WeakPolarHBondContact OE1-CZ2 3.36Å
296Y91.9Very high86.2Confident3 Ų370.6 Ų70.61%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-121.8133.8171.3-68.9-82.6000110.2F255 I256 F258 V263 V265 I268 P282 V283 K284 W292F255-Y296 CarbonylContact C-O 3.49Å; F255-Y296 WeakPolarHBondContact CA-O 3.44Å; I256-Y296 PolarHBondContact N-O 3.28Å; I256-Y296 PolarHBondContact O-N 3.32Å; F258-Y296 HydrophobicContact CD2-CD2 4.13Å; F258-Y296 HydrophobicContact CD2-CE2 4.06Å; F258-Y296 HydrophobicContact CE2-CD2 4.41Å; F258-Y296 HydrophobicContact CE2-CE2 4.48Å; V263-Y296 PolarHBondContact O-OH 2.89Å; V265-Y296 HydrophobicContact CG2-CD1 4.37Å; V265-Y296 HydrophobicContact CG2-CE1 3.61Å; I268-Y296 HydrophobicContact CD1-CD1 4.41Å; I268-Y296 HydrophobicContact CD1-CD2 3.54Å; I268-Y296 HydrophobicContact CD1-CE1 4.27Å; I268-Y296 HydrophobicContact CD1-CE2 3.34Å; I268-Y296 HydrophobicContact CD1-CG 4.07Å; P282-Y296 HydrophobicContact CB-CD1 4.28Å; V283-Y296 CarbonylContact O-C 3.46Å; V283-Y296 WeakPolarHBondContact O-CA 3.34Å; K284-Y296 HydrophobicContact CB-CE1 4.48Å; K284-Y296 HydrophobicContact CD-CE1 4.26Å; K284-Y296 VanDerWaalsContact CE-OH 3.3Å; K284-Y296 WeakPolarHBondContact CE-OH 3.2Å; K284-Y296 HydrophobicContact CG-CD1 3.88Å; K284-Y296 HydrophobicContact CG-CE1 3.36Å; W292-Y296 HydrophobicContact CH2-CE2 4.07Å; W292-Y296 HydrophobicContact CZ2-CD2 4.09Å; W292-Y296 HydrophobicContact CZ2-CE1 4.37Å; W292-Y296 AromaticContact CZ2-CE2 3.43Å; W292-Y296 HydrophobicContact CZ2-CE2 3.43Å; W292-Y296 VanDerWaalsContact CZ2-CE2 3.43Å; W292-Y296 AromaticContact CZ2-CZ 3.61Å
297K90.8Very high84.8Confident64 Ų6471 Ų7128%0.27837%0.371SS..EExtended strand (participates in β ladder)trans-109.1133.4174.9-177.2-172.2175.4-170.40110.3E210 T253 F255 P282 V283 V285E210-K297 VanDerWaalsContact OE1-CE 3.26Å; E210-K297 WeakPolarHBondContact OE1-CE 3.2Å; E210-K297 IonicContact OE1-NZ 2.68Å; E210-K297 PolarHBondContact OE1-NZ 3.42Å; T253-K297 HydrophobicContact CG2-CD 4.31Å; T253-K297 HydrophobicContact CG2-CG 3.95Å; F255-K297 HydrophobicContact CD1-CB 4.46Å; F255-K297 HydrophobicContact CE1-CB 4.37Å; F255-K297 HydrophobicContact CE1-CD 4.37Å; F255-K297 HydrophobicContact CE1-CG 4.15Å; F255-K297 HydrophobicContact CZ-CG 4.47Å; P282-K297 WeakPolarHBondContact CA-O 3.33Å; V283-K297 PolarHBondContact N-O 3.39Å; V283-K297 PolarHBondContact O-N 3.41Å; V285-K297 HydrophobicContact CG2-CB 3.79Å
298C89.8Confident83.9Confident4 Ų469.9 Ų69.93%0.02738%0.375CS..EExtended strand (participates in β ladder)trans-144.2164.9170.352.70000111.9T253 L254 A280 P282T253-C298 WeakPolarHBondContact CA-O 3.48Å; L254-C298 PolarHBondContact N-O 2.8Å; L254-C298 PolarHBondContact O-N 3.43Å; A280-C298 WeakPolarHBondContact O-CB 3.31Å; P282-C298 HydrophobicContact CB-CB 4.3Å; P282-C298 HydrophobicContact CG-CB 4.13Å
299E83.9Confident83.3Confident37 Ų3760.9 Ų60.917%0.17334%0.344CS..EExtended strand (participates in β ladder)trans-103.3135.3165.8-67.3-156.3123.800110.3R167 L279 A280R167-E299 IonicContact CZ-OE1 3.74Å; R167-E299 IonicContact NH1-OE1 3.98Å; R167-E299 PolarHBondContact NH1-OE1 3.42Å; L279-E299 HydrophobicContact CB-CB 4.27Å; L279-E299 WeakPolarHBondContact CB-O 3.46Å; L279-E299 PolarHBondContact N-O 3.44Å; A280-E299 HydrophobicContact CB-CB 4.32Å; A280-E299 PolarHBondContact N-O 3.38Å
300I87.9Confident82.9Confident0 Ų061.2 Ų61.20%034%0.342CS..EExtended strand (participates in β ladder)trans-134.5154-178.862.8160.2000111.6L251 K252 L254 C276 D277 L302 L312L251-I300 WeakPolarHBondContact CA-O 3.42Å; K252-I300 HydrophobicContact CB-CG1 4.07Å; K252-I300 PolarHBondContact N-O 3.09Å; K252-I300 WeakPolarHBondContact O-CG1 3.38Å; K252-I300 PolarHBondContact O-N 2.75Å; L254-I300 HydrophobicContact CB-CD1 4.03Å; L254-I300 HydrophobicContact CB-CG1 4Å; L254-I300 HydrophobicContact CB-CG2 4.42Å; L254-I300 HydrophobicContact CD2-CD1 4.07Å; L254-I300 HydrophobicContact CD2-CG2 4.3Å; C276-I300 HydrophobicContact CB-CB 4.35Å; C276-I300 HydrophobicContact CB-CD1 4.03Å; D277-I300 CarbonylContact O-C 3.57Å; D277-I300 VanDerWaalsContact O-CA 3.31Å; D277-I300 WeakPolarHBondContact O-CA 3.46Å; I300-L302 HydrophobicContact CD1-CD2 3.75Å; I300-L302 HydrophobicContact CD1-CG 4.37Å; I300-L312 HydrophobicContact CD1-CD1 3.92Å; I300-L312 HydrophobicContact CD1-CD2 4.42Å
301E84.6Confident82.9Confident44 Ų4462 Ų6221%0.20633%0.332CS..EExtended strand (participates in β ladder)trans-106.5122.1160.6-172.1164.1-172.100110.5K248 S250 C276 D277 L279K248-E301 VanDerWaalsContact CD-OE1 3.26Å; K248-E301 WeakPolarHBondContact CD-OE1 3.4Å; K248-E301 WeakPolarHBondContact CE-OE1 3.47Å; K248-E301 IonicContact NZ-OE1 3.51Å; K248-E301 PolarHBondContact NZ-OE1 2.83Å; K248-E301 IonicContact NZ-OE2 2.69Å; K248-E301 PolarHBondContact NZ-OE2 2.82Å; S250-E301 PolarHBondContact OG-OE1 3.41Å; C276-E301 WeakPolarHBondContact CB-O 3.06Å; D277-E301 PolarHBondContact N-O 3.46Å; D277-E301 PolarHBondContact O-N 3.37Å; L279-E301 HydrophobicContact CD1-CB 4.41Å; L279-E301 HydrophobicContact CD2-CB 4.48Å
302L87.5Confident82.8Confident1 Ų157.1 Ų57.11%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-74.6126.5175.1-61.6170.5000110.7S250 K252 C276 I300 V309 L312 Y327S250-L302 WeakPolarHBondContact CB-O 3.49Å; S250-L302 WeakPolarHBondContact O-CB 2.86Å; S250-L302 VanDerWaalsContact O-CG 3.31Å; S250-L302 WeakPolarHBondContact O-CG 3.46Å; S250-L302 PolarHBondContact O-N 3.25Å; K252-L302 HydrophobicContact CD-CD1 4.4Å; K252-L302 HydrophobicContact CG-CD1 3.7Å; K252-L302 HydrophobicContact CG-CG 4.09Å; C276-L302 HydrophobicContact CB-CD2 4.46Å; I300-L302 HydrophobicContact CD1-CD2 3.75Å; I300-L302 HydrophobicContact CD1-CG 4.37Å; L302-V309 HydrophobicContact CB-CG1 3.32Å; L302-V309 HydrophobicContact CD1-CG1 3.56Å; L302-V309 HydrophobicContact CG-CG1 4.07Å; L302-L312 HydrophobicContact CD2-CD1 3.3Å; L302-Y327 HydrophobicContact CD1-CE2 3.78Å; L302-Y327 HydrophobicContact CD2-CE1 4.2Å
303R85.6Confident82.6Confident80 Ų8056.6 Ų56.630%0.30231%0.31SS..PPolyproline II helixtrans-64.7147.5177.9-68.2173.2-175.8151.12.6111.5K273 R274 C276 D277 R310K273-R303 PolarHBondContact O-NH1 3.39Å; K273-R303 PolarHBondContact O-NH2 3.3Å; R274-R303 PolarHBondContact O-NH1 2.72Å; C276-R303 PolarHBondContact O-NH2 3.44Å; D277-R303 IonicContact OD1-CZ 3.07Å; D277-R303 IonicContact OD1-NE 2.91Å; D277-R303 PolarHBondContact OD1-NE 2.84Å; D277-R303 IonicContact OD1-NH2 3.27Å; D277-R303 PolarHBondContact OD1-NH2 3.25Å; D277-R303 WeakPolarHBondContact OD2-CG 3.45Å; D277-R303 IonicContact OD2-CZ 3.4Å; D277-R303 IonicContact OD2-NE 3.08Å; D277-R303 PolarHBondContact OD2-NE 3.49Å; D277-R303 IonicContact OD2-NH2 2.75Å; R303-R310 VanDerWaalsContact O-CB 3.25Å; R303-R310 WeakPolarHBondContact O-CB 3.42Å; R303-R310 PolarHBondContact O-N 2.99Å
304Q81.8Confident82.5Confident160 Ų16055 Ų5575%0.74831%0.307SS*.EExtended strand (participates in β ladder)trans-77.5166.8170-59.7-169.22600111.2G308Q304-G308 CarbonylContact C-O 3.36Å
305G70.1Confident82.5Confident31 Ų3155.3 Ų55.332%0.3231%0.308SS..EExtended strand (participates in β ladder)trans-167-179176.900000111.4G307 G308G305-G307 PolarHBondContact O-N 2.79Å; G305-G308 PolarHBondContact N-O 3.27Å; G305-G308 PolarHBondContact O-N 3.17Å
306E59.8Low82.3Confident208 Ų20853.2 Ų53.297%0.97230%0.298SS*.THydrogen-bonded Turntrans-62.1-13.6-167.8-62.8154.7154.900114.9
307G60.1Low82.1Confident85 Ų8555.9 Ų55.988%0.87631%0.31SS*.THydrogen-bonded Turntrans-121.625.1175.100000114G305G305-G307 PolarHBondContact O-N 2.79Å
308G72.7Confident81.8Confident41 Ų4153 Ų5342%0.42330%0.298SS..EExtended strand (participates in β ladder)trans96.1-141.2-174.800000112.9Q304 G305 R310Q304-G308 CarbonylContact C-O 3.36Å; G305-G308 PolarHBondContact N-O 3.27Å; G305-G308 PolarHBondContact O-N 3.17Å; G308-R310 PolarHBondContact O-N 2.79Å
309V78.2Confident81.4Confident34 Ų3453.6 Ų53.621%0.20630%0.304CS..EExtended strand (participates in β ladder)trans-74.1127-171.8-1750000111.7L302 H311L302-V309 HydrophobicContact CB-CG1 3.32Å; L302-V309 HydrophobicContact CD1-CG1 3.56Å; L302-V309 HydrophobicContact CG-CG1 4.07Å; V309-H311 PolarHBondContact O-CD2 2.95Å; V309-H311 PolarHBondContact O-N 2.97Å; V309-H311 VanDerWaalsContact O-N 3.07Å
310R82.7Confident81.3Confident146 Ų14656.3 Ų56.355%0.55133%0.333SS*.  trans-78.491.3177.3-169.5-178.4-64.8-115.7-0.5110.2R303 G308R303-R310 VanDerWaalsContact O-CB 3.25Å; R303-R310 WeakPolarHBondContact O-CB 3.42Å; R303-R310 PolarHBondContact O-N 2.99Å; G308-R310 PolarHBondContact O-N 2.79Å
311H86.1Confident81.3Confident67 Ų6758.8 Ų58.831%0.3134%0.344SS..PPolyproline II helixtrans-67.9140.1178.8-66.6-77.4000113.2V309 Y327 P331V309-H311 PolarHBondContact O-CD2 2.95Å; V309-H311 PolarHBondContact O-N 2.97Å; V309-H311 VanDerWaalsContact O-N 3.07Å; H311-Y327 WeakPolarHBondContact CA-OH 3.32Å; H311-Y327 VanDerWaalsContact CB-OH 3.26Å; H311-Y327 WeakPolarHBondContact CB-OH 3.48Å; H311-Y327 AromaticContact ND1-CE2 3.8Å; H311-Y327 AromaticContact ND1-CZ 3.75Å; H311-Y327 PolarHBondContact ND1-OH 3.5Å; H311-P331 HydrophobicContact CB-CG 3.97Å; H311-P331 WeakPolarHBondContact ND1-CD 3.22Å
312L88.5Confident81.4Confident4 Ų461.2 Ų61.22%0.02135%0.352CS..PPolyproline II helixtrans-62152.8166.6-79.269.3000111.6L254 W271 L272 H275 C276 I300 L302 Y327 Q330L254-L312 HydrophobicContact CD1-CD2 4.25Å; L254-L312 HydrophobicContact CD2-CD2 3.73Å; W271-L312 HydrophobicContact CH2-CD2 4.12Å; W271-L312 HydrophobicContact CH2-CG 4.45Å; W271-L312 HydrophobicContact CZ3-CD2 3.89Å; L272-L312 HydrophobicContact CD2-CD2 3.78Å; H275-L312 HydrophobicContact CB-CD1 4.38Å; H275-L312 HydrophobicContact CB-CG 4.15Å; C276-L312 HydrophobicContact CB-CD1 3.92Å; I300-L312 HydrophobicContact CD1-CD1 3.92Å; I300-L312 HydrophobicContact CD1-CD2 4.42Å; L302-L312 HydrophobicContact CD2-CD1 3.3Å; L312-Y327 HydrophobicContact CB-CE1 4.3Å; L312-Y327 HydrophobicContact CD1-CE1 4.5Å; L312-Y327 PolarHBondContact N-OH 2.87Å; L312-Q330 PolarHBondContact O-NE2 3.38Å
313P86.1Confident81.6Confident46 Ų4661.1 Ų61.130%0.29935%0.351SS..PPolyproline II helixtrans-72.1136.2170.932.3-35.8000111.2W271 A315 F316 S325W271-P313 HydrophobicContact CH2-CG 4.17Å; W271-P313 HydrophobicContact CZ2-CG 3.96Å; P313-A315 PolarHBondContact O-N 3.22Å; P313-F316 HydrophobicContact CG-CB 4.31Å; P313-S325 PolarHBondContact O-OG 2.88Å
314G86.1Confident81.8Confident31 Ų3160.8 Ų60.832%0.3235%0.351SS..SBendtrans-66-16.9-177.300000115.4S325G314-S325 WeakPolarHBondContact CA-O 3.47Å; G314-S325 PolarHBondContact O-N 3.32Å
315A86.8Confident82.3Confident20 Ų2053.4 Ų53.417%0.16532%0.317CS..EExtended strand (participates in β ladder)trans-144.4150.8166.500000109.1P313 G323 Y324 F335P313-A315 PolarHBondContact O-N 3.22Å; A315-G323 CarbonylContact C-O 3.53Å; A315-G323 WeakPolarHBondContact CA-O 3.48Å; A315-Y324 HydrophobicContact CB-CD1 3.85Å; A315-Y324 HydrophobicContact CB-CE1 4.1Å; A315-F335 HydrophobicContact CB-CD2 3.84Å; A315-F335 HydrophobicContact CB-CE2 3.66Å; A315-F335 WeakPolarHBondContact O-CE2 3.45Å
316F88.1Confident83.4Confident11 Ų1156.6 Ų56.65%0.04832%0.319CS..EExtended strand (participates in β ladder)trans-149.5175.8-176.863.4-80.5000111.1I256 F258 W271 P313 L318 R322 G323I256-F316 HydrophobicContact CG2-CE1 4.01Å; I256-F316 HydrophobicContact CG2-CZ 3.81Å; F258-F316 HydrophobicContact CE1-CE2 4.14Å; F258-F316 HydrophobicContact CE1-CZ 4.14Å; F258-F316 HydrophobicContact CE2-CZ 4.42Å; F258-F316 AromaticContact CZ-CE2 3.82Å; F258-F316 HydrophobicContact CZ-CE2 3.82Å; F258-F316 AromaticContact CZ-CZ 3.6Å; F258-F316 HydrophobicContact CZ-CZ 3.6Å; W271-F316 AromaticContact CD2-CD2 3.93Å; W271-F316 HydrophobicContact CD2-CD2 3.93Å; W271-F316 AromaticContact CD2-CE2 3.91Å; W271-F316 HydrophobicContact CD2-CE2 3.91Å; W271-F316 AromaticContact CE2-CD2 3.53Å; W271-F316 AromaticContact CE2-CG 3.84Å; W271-F316 HydrophobicContact CE3-CD2 4.34Å; W271-F316 HydrophobicContact CE3-CE2 4.02Å; W271-F316 HydrophobicContact CE3-CZ 4.17Å; W271-F316 HydrophobicContact CG-CD2 4.47Å; W271-F316 HydrophobicContact CG-CE2 4.42Å; W271-F316 HydrophobicContact CH2-CB 4.25Å; W271-F316 AromaticContact CH2-CD1 3.69Å; W271-F316 HydrophobicContact CH2-CD1 3.69Å; W271-F316 HydrophobicContact CH2-CD2 4.11Å; W271-F316 HydrophobicContact CH2-CE1 4Å; W271-F316 HydrophobicContact CH2-CE2 4.38Å; W271-F316 AromaticContact CH2-CG 3.76Å; W271-F316 HydrophobicContact CH2-CG 3.76Å; W271-F316 HydrophobicContact CH2-CZ 4.33Å; W271-F316 HydrophobicContact CZ2-CB 3.6Å; W271-F316 AromaticContact CZ2-CD1 3.9Å; W271-F316 HydrophobicContact CZ2-CD1 3.9Å; W271-F316 AromaticContact CZ2-CD2 3.67Å; W271-F316 HydrophobicContact CZ2-CD2 3.67Å; W271-F316 HydrophobicContact CZ2-CE1 4.49Å; W271-F316 HydrophobicContact CZ2-CE2 4.28Å; W271-F316 AromaticContact CZ2-CG 3.45Å; W271-F316 HydrophobicContact CZ2-CG 3.45Å; W271-F316 VanDerWaalsContact CZ2-CG 3.45Å; W271-F316 HydrophobicContact CZ3-CD1 4.22Å; W271-F316 HydrophobicContact CZ3-CD2 4.42Å; W271-F316 HydrophobicContact CZ3-CE1 4.05Å; W271-F316 HydrophobicContact CZ3-CE2 4.24Å; W271-F316 HydrophobicContact CZ3-CG 4.41Å; W271-F316 HydrophobicContact CZ3-CZ 4.06Å; W271-F316 AromaticContact NE1-CD2 3.81Å; P313-F316 HydrophobicContact CG-CB 4.31Å; F316-L318 HydrophobicContact CE2-CB 4.24Å; F316-L318 HydrophobicContact CE2-CD2 4.46Å; F316-R322 WeakPolarHBondContact O-CA 3.37Å; F316-G323 WeakPolarHBondContact CD1-O 3.39Å; F316-G323 PolarHBondContact N-O 3.29Å; F316-G323 PolarHBondContact O-N 2.72Å
317F86.1Confident84.8Confident59 Ų5947.4 Ų47.426%0.25928%0.276SS..EExtended strand (participates in β ladder)trans-119.4140172.1-70.9-77.4000110.9E321 R322 F335 F353F317-E321 CarbonylContact C-O 3.5Å; F317-E321 VanDerWaalsContact CA-O 3.23Å; F317-E321 WeakPolarHBondContact CA-O 2.98Å; F317-R322 HydrophobicContact CD1-CB 4.12Å; F317-R322 HydrophobicContact CD1-CG 4.46Å; F317-R322 HydrophobicContact CE1-CB 3.98Å; F317-R322 HydrophobicContact CE1-CG 4.22Å; F317-F335 HydrophobicContact CD2-CZ 4.02Å; F317-F335 AromaticContact CE2-CE1 3.86Å; F317-F335 HydrophobicContact CE2-CE1 3.86Å; F317-F335 AromaticContact CE2-CZ 3.43Å; F317-F335 HydrophobicContact CE2-CZ 3.43Å; F317-F335 VanDerWaalsContact CE2-CZ 3.43Å; F317-F335 HydrophobicContact CZ-CE1 4.31Å; F317-F335 AromaticContact CZ-CZ 3.99Å; F317-F335 HydrophobicContact CZ-CZ 3.99Å; F317-F353 HydrophobicContact CE2-CE1 4.45Å
318L85.8Confident85.8Confident5 Ų550.7 Ų50.73%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-132103.4176.2-16259.3000106.7F258 V263 D267 I268 W271 F316 A320 E321 L373 F381F258-L318 HydrophobicContact CE1-CB 4.23Å; F258-L318 HydrophobicContact CE1-CD2 4.26Å; F258-L318 HydrophobicContact CZ-CD2 3.92Å; V263-L318 HydrophobicContact CG1-CD2 3.75Å; D267-L318 HydrophobicContact CB-CD2 4.27Å; I268-L318 HydrophobicContact CG1-CD2 4.2Å; W271-L318 HydrophobicContact CB-CD1 3.94Å; W271-L318 HydrophobicContact CG-CD1 4.23Å; F316-L318 HydrophobicContact CE2-CB 4.24Å; F316-L318 HydrophobicContact CE2-CD2 4.46Å; L318-A320 PolarHBondContact O-N 2.9Å; L318-E321 PolarHBondContact N-O 2.76Å; L318-E321 WeakPolarHBondContact O-CB 3.38Å; L318-E321 PolarHBondContact O-N 2.97Å; L318-L373 HydrophobicContact CD1-CB 4.28Å; L318-L373 HydrophobicContact CD1-CD1 3.73Å; L318-F381 HydrophobicContact CD1-CE2 4.25Å; L318-F381 HydrophobicContact CG-CE2 4.2Å
319G81.9Confident86Confident16 Ų1651.5 Ų51.517%0.16528%0.275CS..THydrogen-bonded Turntrans64.8-128.5-163.300000112F381G319-F381 VanDerWaalsContact CA-CD1 3.41Å
320A81.2Confident86.4Confident93 Ų9351.4 Ų51.477%0.76927%0.272SS*.THydrogen-bonded Turntrans-80.6-2116900000112.3L318L318-A320 PolarHBondContact O-N 2.9Å
321E87.1Confident86.4Confident52 Ų5245.6 Ų45.624%0.24325%0.253CS..EExtended strand (participates in β ladder)trans-77.8146.3-169.7-71.9-53142.300113.7F258 N260 V263 F317 L318F258-E321 HydrophobicContact CD1-CB 4.48Å; N260-E321 HydrophobicContact CB-CG 4.11Å; N260-E321 WeakPolarHBondContact CB-OE2 3.49Å; N260-E321 VanDerWaalsContact ND2-CD 3.33Å; N260-E321 PolarHBondContact ND2-OE1 3.44Å; V263-E321 HydrophobicContact CG2-CB 4.08Å; V263-E321 HydrophobicContact CG2-CG 4.01Å; F317-E321 CarbonylContact C-O 3.5Å; F317-E321 VanDerWaalsContact CA-O 3.23Å; F317-E321 WeakPolarHBondContact CA-O 2.98Å; L318-E321 PolarHBondContact N-O 2.76Å; L318-E321 WeakPolarHBondContact O-CB 3.38Å; L318-E321 PolarHBondContact O-N 2.97Å
322R87.8Confident86.1Confident95 Ų9551 Ų5136%0.35828%0.276SS..EExtended strand (participates in β ladder)trans-103.4108.9178.5-171.7-179.1-61.2167.45110.5F316 F317 Y324F316-R322 WeakPolarHBondContact O-CA 3.37Å; F317-R322 HydrophobicContact CD1-CB 4.12Å; F317-R322 HydrophobicContact CD1-CG 4.46Å; F317-R322 HydrophobicContact CE1-CB 3.98Å; F317-R322 HydrophobicContact CE1-CG 4.22Å; R322-Y324 WeakPolarHBondContact CD-OH 3.49Å; R322-Y324 HydrophobicContact CG-CE2 4.13Å
323G90.4Very high85.8Confident0 Ų052.5 Ų52.50%029%0.285CS..EExtended strand (participates in β ladder)trans-87.6148.317000000111.9L257 F258 A315 F316L257-G323 WeakPolarHBondContact O-CA 3.28Å; F258-G323 VanDerWaalsContact CE1-CA 3.43Å; A315-G323 CarbonylContact C-O 3.53Å; A315-G323 WeakPolarHBondContact CA-O 3.48Å; F316-G323 WeakPolarHBondContact CD1-O 3.39Å; F316-G323 PolarHBondContact N-O 3.29Å; F316-G323 PolarHBondContact O-N 2.72Å
324Y91.2Very high85.5Confident73 Ų7350.3 Ų50.329%0.28627%0.271SS..EExtended strand (participates in β ladder)trans-115.2140.1169.2-63.8-93.6000108.5I256 L257 A315 R322I256-Y324 CarbonylContact C-O 3.57Å; I256-Y324 VanDerWaalsContact CA-O 3.23Å; I256-Y324 WeakPolarHBondContact CA-O 3.43Å; I256-Y324 WeakPolarHBondContact CG2-O 3.27Å; L257-Y324 PolarHBondContact N-O 3.48Å; L257-Y324 PolarHBondContact O-N 3.49Å; A315-Y324 HydrophobicContact CB-CD1 3.85Å; A315-Y324 HydrophobicContact CB-CE1 4.1Å; R322-Y324 WeakPolarHBondContact CD-OH 3.49Å; R322-Y324 HydrophobicContact CG-CE2 4.13Å
325S92.5Very high85.1Confident5 Ų552.6 Ų52.64%0.03527%0.272CS..EExtended strand (participates in β ladder)trans-130.2130.4-1781210000109.9F255 P313 G314 Q330F255-S325 WeakPolarHBondContact O-CA 3.3Å; P313-S325 PolarHBondContact O-OG 2.88Å; G314-S325 WeakPolarHBondContact CA-O 3.47Å; G314-S325 PolarHBondContact O-N 3.32Å; S325-Q330 PolarHBondContact O-NE2 2.91Å; S325-Q330 PolarHBondContact O-OE1 3.07Å; S325-Q330 PolarHBondContact OG-NE2 2.89Å
326W91.8Very high84.5Confident98 Ų9855 Ų5537%0.37128%0.279SS..EExtended strand (participates in β ladder)trans-142.7144.8176.669.9103000113.9F255 L257 E295F255-W326 HydrophobicContact CB-CD2 3.74Å; F255-W326 HydrophobicContact CB-CE3 4.16Å; F255-W326 HydrophobicContact CB-CG 4.3Å; F255-W326 HydrophobicContact CB-CH2 3.88Å; F255-W326 HydrophobicContact CB-CZ2 3.45Å; F255-W326 VanDerWaalsContact CB-CZ2 3.45Å; F255-W326 HydrophobicContact CB-CZ3 4.21Å; F255-W326 HydrophobicContact CG-CZ2 4.17Å; F255-W326 AromaticContact CG-NE1 3.98Å; F255-W326 PolarHBondContact N-O 3.44Å; F255-W326 PolarHBondContact O-N 2.87Å; L257-W326 HydrophobicContact CB-CH2 3.74Å; L257-W326 HydrophobicContact CB-CZ3 3.54Å; E295-W326 HydrophobicContact CG-CH2 4.16Å; E295-W326 VanDerWaalsContact OE1-CH2 3.25Å; E295-W326 WeakPolarHBondContact OE1-CH2 3.36Å; E295-W326 VanDerWaalsContact OE1-CZ2 3.22Å; E295-W326 WeakPolarHBondContact OE1-CZ2 3.36Å
327Y89.6Confident83.8Confident14 Ų1455.4 Ų55.46%0.05528%0.283CS..  trans-150.6165.7167.654.8-96.9000111.6K252 T253 L254 L302 H311 L312 G329 Q330K252-Y327 HydrophobicContact CB-CD2 4.21Å; K252-Y327 HydrophobicContact CB-CG 4Å; K252-Y327 HydrophobicContact CD-CD2 3.55Å; K252-Y327 HydrophobicContact CD-CE2 4.13Å; K252-Y327 HydrophobicContact CD-CG 4.2Å; K252-Y327 HydrophobicContact CG-CD2 3.58Å; K252-Y327 HydrophobicContact CG-CE2 4.02Å; K252-Y327 HydrophobicContact CG-CG 3.88Å; T253-Y327 WeakPolarHBondContact O-CB 3.16Å; L254-Y327 HydrophobicContact CD1-CD1 3.8Å; L302-Y327 HydrophobicContact CD1-CE2 3.78Å; L302-Y327 HydrophobicContact CD2-CE1 4.2Å; H311-Y327 WeakPolarHBondContact CA-OH 3.32Å; H311-Y327 VanDerWaalsContact CB-OH 3.26Å; H311-Y327 WeakPolarHBondContact CB-OH 3.48Å; H311-Y327 AromaticContact ND1-CE2 3.8Å; H311-Y327 AromaticContact ND1-CZ 3.75Å; H311-Y327 PolarHBondContact ND1-OH 3.5Å; L312-Y327 HydrophobicContact CB-CE1 4.3Å; L312-Y327 HydrophobicContact CD1-CE1 4.5Å; L312-Y327 PolarHBondContact N-OH 2.87Å; Y327-G329 PolarHBondContact O-N 3.36Å; Y327-G329 VanDerWaalsContact O-N 3.1Å; Y327-Q330 HydrophobicContact CD1-CB 4.3Å; Y327-Q330 HydrophobicContact CD1-CG 4.47Å; Y327-Q330 HydrophobicContact CD2-CB 3.82Å; Y327-Q330 HydrophobicContact CE1-CB 4.04Å; Y327-Q330 HydrophobicContact CE1-CG 3.85Å; Y327-Q330 HydrophobicContact CE2-CB 3.52Å; Y327-Q330 HydrophobicContact CE2-CG 4.06Å; Y327-Q330 HydrophobicContact CG-CB 4.19Å; Y327-Q330 VanDerWaalsContact N-OE1 3.15Å; Y327-Q330 WeakPolarHBondContact O-CB 3.41Å; Y327-Q330 PolarHBondContact O-N 3.32Å
328K80.6Confident83.3Confident154 Ų15454.5 Ų54.567%0.6729%0.29SS*.THydrogen-bonded Turntrans-62.1111.9-179.1-165.6170.8-175171.70111.7K252K252-K328 PolarHBondContact NZ-O 3.18Å
329G77.9Confident82.8Confident59 Ų5955.8 Ų55.861%0.60830%0.299SS*.THydrogen-bonded Turntrans87.119.7-177.700000115.2Y327Y327-G329 PolarHBondContact O-N 3.36Å; Y327-G329 VanDerWaalsContact O-N 3.1Å
330Q85.6Confident82.6Confident32 Ų3263.9 Ų63.915%0.1533%0.325CS..PPolyproline II helixtrans-69.8127.2166.7-168.7163.1-5.500109.9L312 S325 Y327L312-Q330 PolarHBondContact O-NE2 3.38Å; S325-Q330 PolarHBondContact O-NE2 2.91Å; S325-Q330 PolarHBondContact O-OE1 3.07Å; S325-Q330 PolarHBondContact OG-NE2 2.89Å; Y327-Q330 HydrophobicContact CD1-CB 4.3Å; Y327-Q330 HydrophobicContact CD1-CG 4.47Å; Y327-Q330 HydrophobicContact CD2-CB 3.82Å; Y327-Q330 HydrophobicContact CE1-CB 4.04Å; Y327-Q330 HydrophobicContact CE1-CG 3.85Å; Y327-Q330 HydrophobicContact CE2-CB 3.52Å; Y327-Q330 HydrophobicContact CE2-CG 4.06Å; Y327-Q330 HydrophobicContact CG-CB 4.19Å; Y327-Q330 VanDerWaalsContact N-OE1 3.15Å; Y327-Q330 WeakPolarHBondContact O-CB 3.41Å; Y327-Q330 PolarHBondContact O-N 3.32Å
331P82.3Confident82.5Confident24 Ų2465.4 Ų65.416%0.15632%0.324CS..PPolyproline II helixtrans-68.3140176.728.1-34000110.4H311 T333 R340H311-P331 HydrophobicContact CB-CG 3.97Å; H311-P331 WeakPolarHBondContact ND1-CD 3.22Å; P331-T333 HydrophobicContact CB-CG2 4.39Å; P331-T333 HydrophobicContact CG-CG2 4.22Å; P331-T333 PolarHBondContact O-N 2.92Å; P331-R340 HydrophobicContact CB-CG 4.36Å
332K80.9Confident82.3Confident181 Ų18164.7 Ų64.779%0.78732%0.321SS*.PPolyproline II helixtrans-68.6118.9165.7-66.9-176.8179.3179.90108.1M343K332-M343 HydrophobicContact CB-CE 3.96Å
333T81.8Confident82Confident34 Ų3464.5 Ų64.521%0.20933%0.325CS..  trans-122.9146.2-178.552.60000111P331 F335 G338 S339 R340P331-T333 HydrophobicContact CB-CG2 4.39Å; P331-T333 HydrophobicContact CG-CG2 4.22Å; P331-T333 PolarHBondContact O-N 2.92Å; T333-F335 PolarHBondContact O-N 2.81Å; T333-G338 WeakPolarHBondContact CB-O 3.47Å; T333-G338 VanDerWaalsContact CG2-O 3.31Å; T333-G338 WeakPolarHBondContact CG2-O 3.22Å; T333-S339 CarbonylContact C-O 3.59Å; T333-S339 VanDerWaalsContact CA-O 3.32Å; T333-S339 WeakPolarHBondContact CA-O 3.48Å; T333-R340 HydrophobicContact CG2-CG 3.93Å
334C80.1Confident81.4Confident1 Ų166.8 Ų66.81%0.00734%0.341CS..  trans-50.5131.2168.2174.60000111.3K336 G338 S339 H342 C347C334-K336 VanDerWaalsContact C-N 3.33Å; C334-K336 PolarHBondContact O-N 2.9Å; C334-K336 PolarHBondContact SG-N 3.48Å; C334-K336 VanDerWaalsContact SG-N 3.39Å; C334-G338 WeakPolarHBondContact O-CA 3.46Å; C334-G338 PolarHBondContact O-N 3.28Å; C334-S339 PolarHBondContact N-O 3.49Å; C334-H342 WeakPolarHBondContact CB-O 3.31Å; C334-C347 WeakPolarHBondContact SG-CB 3.49Å; C334-C347 PolarHBondContact SG-SG 3.45Å
335F76.8Confident80.8Confident78 Ų7867.5 Ų67.534%0.34237%0.37SS..THydrogen-bonded Turntrans-68.5-28.9179.7-177.9-121.1000113.4A315 F317 T333 S344A315-F335 HydrophobicContact CB-CD2 3.84Å; A315-F335 HydrophobicContact CB-CE2 3.66Å; A315-F335 WeakPolarHBondContact O-CE2 3.45Å; F317-F335 HydrophobicContact CD2-CZ 4.02Å; F317-F335 AromaticContact CE2-CE1 3.86Å; F317-F335 HydrophobicContact CE2-CE1 3.86Å; F317-F335 AromaticContact CE2-CZ 3.43Å; F317-F335 HydrophobicContact CE2-CZ 3.43Å; F317-F335 VanDerWaalsContact CE2-CZ 3.43Å; F317-F335 HydrophobicContact CZ-CE1 4.31Å; F317-F335 AromaticContact CZ-CZ 3.99Å; F317-F335 HydrophobicContact CZ-CZ 3.99Å; T333-F335 PolarHBondContact O-N 2.81Å; F335-S344 WeakPolarHBondContact CB-OG 3.2Å; F335-S344 PolarHBondContact N-OG 3.42Å; F335-S344 VanDerWaalsContact N-OG 3.09Å
336K74.5Confident80.2Confident72 Ų7271 Ų7131%0.31340%0.395SS..THydrogen-bonded Turntrans-73-60.6179.2-55.4-169.7-167.4173.20111.2C334 S344 C347 R351C334-K336 VanDerWaalsContact C-N 3.33Å; C334-K336 PolarHBondContact O-N 2.9Å; C334-K336 PolarHBondContact SG-N 3.48Å; C334-K336 VanDerWaalsContact SG-N 3.39Å; K336-S344 WeakPolarHBondContact CE-O 3.46Å; K336-C347 HydrophobicContact CD-CB 3.89Å; K336-C347 HydrophobicContact CG-CB 4.31Å; K336-C347 PolarHBondContact NZ-O 3.38Å; K336-R351 WeakPolarHBondContact O-CD 3.4Å; K336-R351 PolarHBondContact O-NH1 3.45Å; K336-R351 VanDerWaalsContact O-NH1 3.12Å
337C74.1Confident79.8Confident19 Ų1966.6 Ų66.613%0.12838%0.379CS..THydrogen-bonded Turntrans-105-16.3-169.761.20000114.9S339 H342 Q349C337-S339 VanDerWaalsContact C-N 3.32Å; C337-S339 VanDerWaalsContact SG-CB 3.53Å; C337-S339 PolarHBondContact SG-N 3.4Å; C337-S339 VanDerWaalsContact SG-N 3.44Å; C337-H342 PolarHBondContact SG-NE2 3.1Å; C337-H342 VanDerWaalsContact SG-NE2 3.4Å; C337-Q349 HydrophobicContact CB-CB 4.24Å; C337-Q349 VanDerWaalsContact CB-OE1 3.25Å; C337-Q349 PolarHBondContact SG-OE1 2.85Å
338G75.5Confident79.3Confident39 Ų3972.3 Ų72.340%0.40242%0.416SS..  trans82.41.9-173.300000114.8T333 C334T333-G338 WeakPolarHBondContact CB-O 3.47Å; T333-G338 VanDerWaalsContact CG2-O 3.31Å; T333-G338 WeakPolarHBondContact CG2-O 3.22Å; C334-G338 WeakPolarHBondContact O-CA 3.46Å; C334-G338 PolarHBondContact O-N 3.28Å
339S76.1Confident79.2Confident32 Ų3268 Ų6822%0.22440%0.398CS..  trans-59.7145.9176.9-178.30000112.6T333 C334 C337 T341T333-S339 CarbonylContact C-O 3.59Å; T333-S339 VanDerWaalsContact CA-O 3.32Å; T333-S339 WeakPolarHBondContact CA-O 3.48Å; C334-S339 PolarHBondContact N-O 3.49Å; C337-S339 VanDerWaalsContact C-N 3.32Å; C337-S339 VanDerWaalsContact SG-CB 3.53Å; C337-S339 PolarHBondContact SG-N 3.4Å; C337-S339 VanDerWaalsContact SG-N 3.44Å; S339-T341 PolarHBondContact OG-N 2.91Å; S339-T341 VanDerWaalsContact OG-N 3.12Å; S339-T341 PolarHBondContact OG-OG1 3.05Å
340R77.2Confident79Confident187 Ų18768.9 Ų68.971%0.70639%0.389SS*.SBendtrans-88.7-9.2173.3-66.4172.563.1-178.8-1.3113.4P331 T333P331-R340 HydrophobicContact CB-CG 4.36Å; T333-R340 HydrophobicContact CG2-CG 3.93Å
341T79.2Confident78.7Confident124 Ų12471.9 Ų71.976%0.76140%0.399SS*.SBendtrans-87.6-17.2-172.1620000114.6S339S339-T341 PolarHBondContact OG-N 2.91Å; S339-T341 VanDerWaalsContact OG-N 3.12Å; S339-T341 PolarHBondContact OG-OG1 3.05Å
342H81.8Confident78.6Confident38 Ų3870.8 Ų70.818%0.17639%0.391CS..SBendtrans-153.8168.7-174.563.6-94.9000111.1C334 C337 C347C334-H342 WeakPolarHBondContact CB-O 3.31Å; C337-H342 PolarHBondContact SG-NE2 3.1Å; C337-H342 VanDerWaalsContact SG-NE2 3.4Å; H342-C347 WeakPolarHBondContact NE2-CB 3.46Å; H342-C347 PolarHBondContact NE2-SG 3.06Å
343M82.8Confident78.3Confident91 Ų9168.4 Ų68.445%0.44838%0.382SS..  trans-108.5165.7179.4-69.7-66.6121.500111.1K332 G345 S346 C347K332-M343 HydrophobicContact CB-CE 3.96Å; M343-G345 PolarHBondContact O-N 3.49Å; M343-S346 CarbonylContact O-C 3.55Å; M343-S346 PolarHBondContact O-N 2.8Å; M343-S346 PolarHBondContact O-OG 3.45Å; M343-C347 PolarHBondContact O-N 3.38Å
344S78.1Confident78.1Confident48 Ų4871.4 Ų71.434%0.33639%0.389SS..THydrogen-bonded Turntrans-54.1-29-171.7-43.20000115.2F335 K336F335-S344 WeakPolarHBondContact CB-OG 3.2Å; F335-S344 PolarHBondContact N-OG 3.42Å; F335-S344 VanDerWaalsContact N-OG 3.09Å; K336-S344 WeakPolarHBondContact CE-O 3.46Å
345G77.6Confident78Confident87 Ų8771.6 Ų71.690%0.89739%0.39SS*.THydrogen-bonded Turntrans-77.5-27177.900000114.6M343M343-G345 PolarHBondContact O-N 3.49Å
346S80.5Confident77.9Confident78 Ų7869.5 Ų69.555%0.54539%0.391SS..SBendtrans-101.513173.451.30000112.8M343 T348M343-S346 CarbonylContact O-C 3.55Å; M343-S346 PolarHBondContact O-N 2.8Å; M343-S346 PolarHBondContact O-OG 3.45Å; S346-T348 PolarHBondContact O-N 3.26Å
347C82.4Confident78.1Confident7 Ų768.5 Ų68.55%0.04739%0.387CS..  trans-85.5111.4180-172.90000112C334 K336 H342 M343C334-C347 WeakPolarHBondContact SG-CB 3.49Å; C334-C347 PolarHBondContact SG-SG 3.45Å; K336-C347 HydrophobicContact CD-CB 3.89Å; K336-C347 HydrophobicContact CG-CB 4.31Å; K336-C347 PolarHBondContact NZ-O 3.38Å; H342-C347 WeakPolarHBondContact NE2-CB 3.46Å; H342-C347 PolarHBondContact NE2-SG 3.06Å; M343-C347 PolarHBondContact O-N 3.38Å
348T80.1Confident78.3Confident134 Ų13471.8 Ų71.882%0.82240%0.4SS*.  trans-84.6-7.7175.251.10000114.3S346 D350S346-T348 PolarHBondContact O-N 3.26Å; T348-D350 PolarHBondContact O-N 2.82Å
349Q77.3Confident78.4Confident64 Ų6473.5 Ų73.530%0.29942%0.419SS..  trans-79111.3178.6-74168.5-67.500111.2C337 R351 E358C337-Q349 HydrophobicContact CB-CB 4.24Å; C337-Q349 VanDerWaalsContact CB-OE1 3.25Å; C337-Q349 PolarHBondContact SG-OE1 2.85Å; Q349-R351 PolarHBondContact O-N 3.04Å; Q349-E358 PolarHBondContact NE2-OE1 2.95Å; Q349-E358 PolarHBondContact NE2-OE2 2.82Å
350D75Confident78.7Confident76 Ų7674.1 Ų74.141%0.40642%0.418SS..  trans-76.7113.4167.6-81.6-18.3000110.3T348 E358 G359 L361T348-D350 PolarHBondContact O-N 2.82Å; D350-E358 CarbonylContact O-C 3.53Å; D350-E358 WeakPolarHBondContact O-CA 3.23Å; D350-G359 PolarHBondContact O-N 2.9Å; D350-L361 HydrophobicContact CB-CD2 3.9Å; D350-L361 HydrophobicContact CB-CG 4.2Å
351R78.1Confident78.9Confident95 Ų9568.6 Ų68.636%0.35840%0.402SS..BIsolated β-bridgetrans-113.8132.6177.9-166-177.8-171.5166.110.5110.6K336 Q349 F353 G356 E357 E358 H360K336-R351 WeakPolarHBondContact O-CD 3.4Å; K336-R351 PolarHBondContact O-NH1 3.45Å; K336-R351 VanDerWaalsContact O-NH1 3.12Å; Q349-R351 PolarHBondContact O-N 3.04Å; R351-F353 PolarHBondContact O-N 2.95Å; R351-G356 PolarHBondContact NE-O 2.86Å; R351-G356 PolarHBondContact NH2-O 2.78Å; R351-G356 VanDerWaalsContact NH2-O 3.1Å; R351-E357 WeakPolarHBondContact CA-O 3.4Å; R351-E357 WeakPolarHBondContact CG-O 3.23Å; R351-E358 HydrophobicContact CB-CG 4.38Å; R351-E358 HydrophobicContact CG-CG 4.12Å; R351-H360 CarbonylContact C-O 3.6Å
352C80.8Confident78.9Confident1 Ų164 Ų641%0.00738%0.375CS..  trans-81.2116.9-176.9176.20000111.6R354 C355 G356 E357 H360 C365C352-R354 PolarHBondContact O-N 3.29Å; C352-R354 PolarHBondContact SG-N 2.86Å; C352-C355 VanDerWaalsContact CB-SG 3.56Å; C352-C355 PolarHBondContact O-N 3.5Å; C352-C355 PolarHBondContact SG-N 3.04Å; C352-G356 WeakPolarHBondContact O-CA 3.33Å; C352-G356 PolarHBondContact O-N 2.91Å; C352-E357 PolarHBondContact N-O 3.21Å; C352-H360 WeakPolarHBondContact CA-O 3.46Å; C352-H360 WeakPolarHBondContact CB-NE2 3.32Å; C352-H360 WeakPolarHBondContact CB-O 3.46Å; C352-H360 PolarHBondContact N-O 3.41Å; C352-C365 WeakPolarHBondContact SG-CB 3.19Å; C352-C365 VanDerWaalsContact SG-SG 3.66Å
353F74.4Confident78.8Confident132 Ų13266.8 Ų66.858%0.57940%0.396SS*.THydrogen-bonded Turntrans-68.3-16.1174.6-59-83.9000113.8F317 R351 S362F317-F353 HydrophobicContact CE2-CE1 4.45Å; R351-F353 PolarHBondContact O-N 2.95Å; F353-S362 WeakPolarHBondContact CB-OG 3.48Å; F353-S362 PolarHBondContact N-OG 3.27Å
354R77.4Confident78.7Confident97 Ų9771 Ų7137%0.36641%0.409SS..THydrogen-bonded Turntrans-76.1-42.1171.6-74-159.7-76.9156.1-5.7114.1C352 S362 P363 C365 I369 V370C352-R354 PolarHBondContact O-N 3.29Å; C352-R354 PolarHBondContact SG-N 2.86Å; R354-S362 VanDerWaalsContact CZ-O 3.26Å; R354-S362 PolarHBondContact NE-O 2.95Å; R354-S362 PolarHBondContact NH2-O 3.2Å; R354-P363 PolarHBondContact NH2-O 3.38Å; R354-P363 VanDerWaalsContact NH2-O 3.1Å; R354-C365 HydrophobicContact CB-CB 4.29Å; R354-C365 PolarHBondContact NH2-O 2.92Å; R354-I369 CarbonylContact O-C 3.55Å; R354-I369 VanDerWaalsContact O-CA 3.28Å; R354-I369 WeakPolarHBondContact O-CA 3.46Å; R354-V370 PolarHBondContact O-N 2.9Å
355C78.1Confident78.8Confident5 Ų569.1 Ų69.13%0.03440%0.395CS..THydrogen-bonded Turntrans-117.4-8.1-172.869.50000115.1C352 E357 H360 K367 V370C352-C355 VanDerWaalsContact CB-SG 3.56Å; C352-C355 PolarHBondContact O-N 3.5Å; C352-C355 PolarHBondContact SG-N 3.04Å; C355-E357 VanDerWaalsContact C-N 3.27Å; C355-E357 PolarHBondContact O-N 3Å; C355-H360 PolarHBondContact SG-CE1 3.25Å; C355-H360 PolarHBondContact SG-NE2 3.04Å; C355-H360 VanDerWaalsContact SG-NE2 3.37Å; C355-K367 HydrophobicContact CB-CB 4.04Å; C355-V370 WeakPolarHBondContact O-CG2 3.45Å
356G74.9Confident79Confident34 Ų3476.9 Ų76.935%0.35140%0.397SS..SBendtrans78.61.8179.600000115.5R351 C352R351-G356 PolarHBondContact NE-O 2.86Å; R351-G356 PolarHBondContact NH2-O 2.78Å; R351-G356 VanDerWaalsContact NH2-O 3.1Å; C352-G356 WeakPolarHBondContact O-CA 3.33Å; C352-G356 PolarHBondContact O-N 2.91Å
357E78Confident78.9Confident50 Ų5078.2 Ų78.223%0.23439%0.393CS..  trans-98.4162.1-175.6-57.2169.2-154.800111.9R351 C352 C355 K367 R377R351-E357 WeakPolarHBondContact CA-O 3.4Å; R351-E357 WeakPolarHBondContact CG-O 3.23Å; C352-E357 PolarHBondContact N-O 3.21Å; C355-E357 VanDerWaalsContact C-N 3.27Å; C355-E357 PolarHBondContact O-N 3Å; E357-K367 WeakPolarHBondContact OE1-CD 3.17Å; E357-K367 IonicContact OE1-NZ 3.8Å; E357-K367 VanDerWaalsContact OE2-CD 3.23Å; E357-K367 WeakPolarHBondContact OE2-CD 3.22Å; E357-K367 WeakPolarHBondContact OE2-CE 3.25Å; E357-K367 IonicContact OE2-NZ 2.72Å; E357-K367 PolarHBondContact OE2-NZ 2.85Å; E357-R377 IonicContact OE1-CZ 2.79Å; E357-R377 IonicContact OE1-NH1 2.69Å; E357-R377 PolarHBondContact OE1-NH1 3.23Å; E357-R377 VanDerWaalsContact OE1-NH1 3.08Å; E357-R377 IonicContact OE1-NH2 3.37Å; E357-R377 PolarHBondContact OE1-NH2 3.1Å
358E78.3Confident78.7Confident88 Ų8880 Ų8041%0.41141%0.414SS..BIsolated β-bridgetrans-94.5173.9-178.3-62.6-174.4-177.600112.6Q349 D350 R351 H360Q349-E358 PolarHBondContact NE2-OE1 2.95Å; Q349-E358 PolarHBondContact NE2-OE2 2.82Å; D350-E358 CarbonylContact O-C 3.53Å; D350-E358 WeakPolarHBondContact O-CA 3.23Å; R351-E358 HydrophobicContact CB-CG 4.38Å; R351-E358 HydrophobicContact CG-CG 4.12Å; E358-H360 VanDerWaalsContact C-N 3.34Å; E358-H360 PolarHBondContact O-N 3.29Å; E358-H360 PolarHBondContact O-ND1 3.04Å
359G78.8Confident78.8Confident76 Ų7676.6 Ų76.678%0.78439%0.39SS*.SBendtrans81.84.3175.100000115.3D350D350-G359 PolarHBondContact O-N 2.9Å
360H82.8Confident79.1Confident45 Ų4574.9 Ų74.921%0.20838%0.383CS..SBendtrans-159.4153.8173.565.4-71.3000112.9R351 C352 C355 E358R351-H360 CarbonylContact C-O 3.6Å; C352-H360 WeakPolarHBondContact CA-O 3.46Å; C352-H360 WeakPolarHBondContact CB-NE2 3.32Å; C352-H360 WeakPolarHBondContact CB-O 3.46Å; C352-H360 PolarHBondContact N-O 3.41Å; C355-H360 PolarHBondContact SG-CE1 3.25Å; C355-H360 PolarHBondContact SG-NE2 3.04Å; C355-H360 VanDerWaalsContact SG-NE2 3.37Å; E358-H360 VanDerWaalsContact C-N 3.34Å; E358-H360 PolarHBondContact O-N 3.29Å; E358-H360 PolarHBondContact O-ND1 3.04Å
361L80.2Confident79.6Confident70 Ų7071.2 Ų71.237%0.36636%0.364SS..  trans-88.2158.8174.8-66.3173.6000112.4D350 P363 Y364 C365D350-L361 HydrophobicContact CB-CD2 3.9Å; D350-L361 HydrophobicContact CB-CG 4.2Å; L361-P363 VanDerWaalsContact C-CD 3.42Å; L361-Y364 HydrophobicContact CB-CD2 4.25Å; L361-Y364 PolarHBondContact O-N 2.97Å; L361-C365 PolarHBondContact O-N 3.25Å
362S79.5Confident79.9Confident29 Ų2969.8 Ų69.820%0.20336%0.363CS..G310 helixtrans-49.5-40.1-179.3-61.20000115.9F353 R354 Y364 C365F353-S362 WeakPolarHBondContact CB-OG 3.48Å; F353-S362 PolarHBondContact N-OG 3.27Å; R354-S362 VanDerWaalsContact CZ-O 3.26Å; R354-S362 PolarHBondContact NE-O 2.95Å; R354-S362 PolarHBondContact NH2-O 3.2Å; S362-Y364 VanDerWaalsContact C-N 3.34Å; S362-Y364 PolarHBondContact O-N 3.45Å; S362-C365 WeakPolarHBondContact O-CB 3.09Å; S362-C365 PolarHBondContact O-N 3.07Å
363P79.6Confident80.1Confident96 Ų9669.8 Ų69.862%0.62336%0.363SS*.G310 helixtrans-61-41.9177.4-24.836.3000112.6R354 L361 C365R354-P363 PolarHBondContact NH2-O 3.38Å; R354-P363 VanDerWaalsContact NH2-O 3.1Å; L361-P363 VanDerWaalsContact C-CD 3.42Å; P363-C365 VanDerWaalsContact C-N 3.31Å; P363-C365 PolarHBondContact O-N 3.47Å
364Y80.1Confident80.5Confident179 Ų17964.6 Ų64.670%0.70234%0.343SS*.G310 helixtrans-85.10.6-174.4-52.8-65.6000114.2L361 S362 R366L361-Y364 HydrophobicContact CB-CD2 4.25Å; L361-Y364 PolarHBondContact O-N 2.97Å; S362-Y364 VanDerWaalsContact C-N 3.34Å; S362-Y364 PolarHBondContact O-N 3.45Å; Y364-R366 PolarHBondContact O-N 3.2Å
365C81.9Confident80.7Confident8 Ų861.4 Ų61.45%0.05434%0.34CS..  trans-65.2118.2178.8-176.30000112.6C352 R354 L361 S362 P363 K367C352-C365 WeakPolarHBondContact SG-CB 3.19Å; C352-C365 VanDerWaalsContact SG-SG 3.66Å; R354-C365 HydrophobicContact CB-CB 4.29Å; R354-C365 PolarHBondContact NH2-O 2.92Å; L361-C365 PolarHBondContact O-N 3.25Å; S362-C365 WeakPolarHBondContact O-CB 3.09Å; S362-C365 PolarHBondContact O-N 3.07Å; P363-C365 VanDerWaalsContact C-N 3.31Å; P363-C365 PolarHBondContact O-N 3.47Å; C365-K367 PolarHBondContact SG-N 3.48Å; C365-K367 VanDerWaalsContact SG-N 3.44Å; C365-K367 PolarHBondContact SG-O 3.13Å
366R80.4Confident80.9Confident251 Ų25167.8 Ų67.895%0.94737%0.368SS*.  trans-93.7-4171.6-58.6-175.4-175.1-178.81.2113.5Y364Y364-R366 PolarHBondContact O-N 3.2Å
367K78.8Confident81.4Confident105 Ų10572.9 Ų72.946%0.45738%0.376SS..SBendtrans-91.2148.7178.9-66.6-175.1176.9-176.30111.2C355 E357 C365C355-K367 HydrophobicContact CB-CB 4.04Å; E357-K367 WeakPolarHBondContact OE1-CD 3.17Å; E357-K367 IonicContact OE1-NZ 3.8Å; E357-K367 VanDerWaalsContact OE2-CD 3.23Å; E357-K367 WeakPolarHBondContact OE2-CD 3.22Å; E357-K367 WeakPolarHBondContact OE2-CE 3.25Å; E357-K367 IonicContact OE2-NZ 2.72Å; E357-K367 PolarHBondContact OE2-NZ 2.85Å; C365-K367 PolarHBondContact SG-N 3.48Å; C365-K367 VanDerWaalsContact SG-N 3.44Å; C365-K367 PolarHBondContact SG-O 3.13Å
368G77.5Confident81.6Confident46 Ų4673.5 Ų73.547%0.47440%0.396SS..PPolyproline II helixtrans-59.8143.417700000112.4
369I82.7Confident81.8Confident62 Ų6270.7 Ų70.732%0.31838%0.383SS..PPolyproline II helixtrans-60.4139-178.2-174165.7000111.6R354 R377 G378 A380R354-I369 CarbonylContact O-C 3.55Å; R354-I369 VanDerWaalsContact O-CA 3.28Å; R354-I369 WeakPolarHBondContact O-CA 3.46Å; I369-R377 CarbonylContact O-C 3.58Å; I369-R377 VanDerWaalsContact O-CA 3.27Å; I369-R377 WeakPolarHBondContact O-CA 3.43Å; I369-G378 PolarHBondContact O-N 3.2Å; I369-A380 HydrophobicContact CD1-CB 4.01Å
370V84.2Confident82.1Confident27 Ų2768.6 Ų68.616%0.16436%0.358CS..BIsolated β-bridgetrans-97.8131.1172.3173.10000108.8R354 C355 N372 K376 R377R354-V370 PolarHBondContact O-N 2.9Å; C355-V370 WeakPolarHBondContact O-CG2 3.45Å; V370-N372 PolarHBondContact O-N 3.28Å; V370-K376 WeakPolarHBondContact CA-O 3.32Å; V370-R377 HydrophobicContact CG2-CG 3.69Å
371C85.4Confident82Confident0 Ų068.5 Ų68.50%036%0.357CS..PPolyproline II helixtrans-71.6121.7177.2177.10000111.5L373 C374 G375 K376 H379 C384C371-L373 PolarHBondContact O-N 3.46Å; C371-C374 PolarHBondContact SG-N 3.39Å; C371-G375 VanDerWaalsContact O-CA 3.3Å; C371-G375 WeakPolarHBondContact O-CA 3.42Å; C371-G375 PolarHBondContact O-N 3.47Å; C371-K376 PolarHBondContact N-O 3.46Å; C371-H379 WeakPolarHBondContact CB-NE2 3.48Å; C371-H379 PolarHBondContact N-O 3.29Å; C371-C384 VanDerWaalsContact SG-CB 3.6Å; C371-C384 PolarHBondContact SG-SG 3.37Å
372N84.3Confident82.1Confident65 Ų6568.3 Ų68.335%0.34837%0.365SS..THydrogen-bonded Turntrans-61.3-26.3179.1-73.7-18000113.6R274 V370R274-N372 PolarHBondContact NH1-O 3.12Å; V370-N372 PolarHBondContact O-N 3.28Å
373L84.4Confident82.1Confident0 Ų073.3 Ų73.30%039%0.386CS..THydrogen-bonded Turntrans-81.1-63.6175.2174.464.3000112.5D267 T270 W271 R274 L318 C371 F381 C384 K386 A387D267-L373 HydrophobicContact CB-CD1 3.93Å; D267-L373 WeakPolarHBondContact O-CD1 3.26Å; D267-L373 WeakPolarHBondContact OD2-CD2 3.32Å; T270-L373 HydrophobicContact CG2-CD1 3.72Å; T270-L373 HydrophobicContact CG2-CD2 4.43Å; T270-L373 HydrophobicContact CG2-CG 3.86Å; W271-L373 HydrophobicContact CB-CD1 4.42Å; R274-L373 WeakPolarHBondContact CD-O 3.48Å; R274-L373 VanDerWaalsContact NH1-C 3.31Å; R274-L373 PolarHBondContact NH1-O 3.08Å; L318-L373 HydrophobicContact CD1-CB 4.28Å; L318-L373 HydrophobicContact CD1-CD1 3.73Å; C371-L373 PolarHBondContact O-N 3.46Å; L373-F381 HydrophobicContact CB-CD2 3.65Å; L373-F381 HydrophobicContact CB-CE2 3.86Å; L373-F381 HydrophobicContact CD2-CD2 4.45Å; L373-F381 HydrophobicContact CD2-CE2 4.07Å; L373-F381 HydrophobicContact CG-CE2 4.42Å; L373-C384 HydrophobicContact CD2-CB 4.46Å; L373-K386 HydrophobicContact CD2-CB 4.49Å; L373-K386 WeakPolarHBondContact CD2-O 3.35Å; L373-A387 VanDerWaalsContact CD2-CA 3.46Å; L373-A387 HydrophobicContact CD2-CB 3.64Å
374C82.9Confident82.3Confident24 Ų2468.8 Ų68.816%0.16236%0.356CS..THydrogen-bonded Turntrans-95.4-11.1-168.779.60000115C371 K376 H379 C384 K386C371-C374 PolarHBondContact SG-N 3.39Å; C374-K376 VanDerWaalsContact C-N 3.25Å; C374-K376 PolarHBondContact O-N 3.02Å; C374-H379 PolarHBondContact SG-NE2 3Å; C374-C384 VanDerWaalsContact SG-SG 3.68Å; C374-K386 HydrophobicContact CB-CB 4.4Å; C374-K386 HydrophobicContact CB-CD 4.26Å
375G81.4Confident82.4Confident30 Ų3064.3 Ų64.331%0.30935%0.349SS..  trans75.4-2.2179.600000116.2C371C371-G375 VanDerWaalsContact O-CA 3.3Å; C371-G375 WeakPolarHBondContact O-CA 3.42Å; C371-G375 PolarHBondContact O-N 3.47Å
376K83.3Confident82.4Confident139 Ų13970 Ų7060%0.60437%0.372SS*.  trans-72.4149.8174-66.9-171.8173.7-1710111.2V370 C371 C374V370-K376 WeakPolarHBondContact CA-O 3.32Å; C371-K376 PolarHBondContact N-O 3.46Å; C374-K376 VanDerWaalsContact C-N 3.25Å; C374-K376 PolarHBondContact O-N 3.02Å
377R84.4Confident82.4Confident140 Ų14058 Ų5853%0.52833%0.327SS..BIsolated β-bridgetrans-79.7154168.4-68.8-180-167.8-99.511110.5E357 I369 V370E357-R377 IonicContact OE1-CZ 2.79Å; E357-R377 IonicContact OE1-NH1 2.69Å; E357-R377 PolarHBondContact OE1-NH1 3.23Å; E357-R377 VanDerWaalsContact OE1-NH1 3.08Å; E357-R377 IonicContact OE1-NH2 3.37Å; E357-R377 PolarHBondContact OE1-NH2 3.1Å; I369-R377 CarbonylContact O-C 3.58Å; I369-R377 VanDerWaalsContact O-CA 3.27Å; I369-R377 WeakPolarHBondContact O-CA 3.43Å; V370-R377 HydrophobicContact CG2-CG 3.69Å
378G82.8Confident82.5Confident63 Ų6354.4 Ų54.465%0.64931%0.314SS*.SBendtrans109.2-11.8169.100000116.3I369I369-G378 PolarHBondContact O-N 3.2Å
379H83.5Confident82.5Confident30 Ų3056.8 Ų56.814%0.13931%0.313CS..  trans-146.6152.8-179.259-94.7000113C371 C374 Q383 C384C371-H379 WeakPolarHBondContact CB-NE2 3.48Å; C371-H379 PolarHBondContact N-O 3.29Å; C374-H379 PolarHBondContact SG-NE2 3Å; H379-Q383 HydrophobicContact CB-CB 4.08Å; H379-C384 VanDerWaalsContact CD2-CA 3.48Å; H379-C384 WeakPolarHBondContact CD2-CA 3.39Å
380A84.4Confident82.1Confident31 Ų3155.7 Ų55.726%0.25631%0.307SS..  trans-79.1167.1169.300000111.2I369 A382 Q383 C384I369-A380 HydrophobicContact CD1-CB 4.01Å; A380-A382 VanDerWaalsContact C-N 3.27Å; A380-A382 PolarHBondContact O-N 3.42Å; A380-Q383 CarbonylContact O-C 3.49Å; A380-Q383 PolarHBondContact O-N 3.32Å; A380-C384 PolarHBondContact O-N 3.49Å
381F81.4Confident81.2Confident44 Ų4455.9 Ų55.919%0.19331%0.31CS..G310 helixtrans-51.2-45.8173.4175.7-87.9000112.7D267 L318 G319 L373 Q383 C384 A387 H389D267-F381 WeakPolarHBondContact OD2-CE2 3.42Å; D267-F381 WeakPolarHBondContact OD2-CZ 3.45Å; L318-F381 HydrophobicContact CD1-CE2 4.25Å; L318-F381 HydrophobicContact CG-CE2 4.2Å; G319-F381 VanDerWaalsContact CA-CD1 3.41Å; L373-F381 HydrophobicContact CB-CD2 3.65Å; L373-F381 HydrophobicContact CB-CE2 3.86Å; L373-F381 HydrophobicContact CD2-CD2 4.45Å; L373-F381 HydrophobicContact CD2-CE2 4.07Å; L373-F381 HydrophobicContact CG-CE2 4.42Å; F381-Q383 PolarHBondContact O-N 3.35Å; F381-C384 WeakPolarHBondContact O-CB 3.49Å; F381-C384 PolarHBondContact O-N 2.84Å; F381-A387 HydrophobicContact CZ-CB 4.36Å; F381-H389 AromaticContact CE1-CE1 3.82Å
382A80.9Confident79.8Confident65 Ų6559.8 Ų59.854%0.53733%0.334SS..G310 helixtrans-57.6-22.6179.400000113.5A380 H389 N390A380-A382 VanDerWaalsContact C-N 3.27Å; A380-A382 PolarHBondContact O-N 3.42Å; A382-H389 PolarHBondContact O-NE2 2.89Å; A382-N390 PolarHBondContact O-ND2 3.32Å; A382-N390 PolarHBondContact O-OD1 3.44Å
383Q80.6Confident78.3Confident135 Ų13559.3 Ų59.363%0.63134%0.339SS*.G310 helixtrans-112.215.9179.6-66.2169.6-34.600112.3H379 A380 F381 P385H379-Q383 HydrophobicContact CB-CB 4.08Å; A380-Q383 CarbonylContact O-C 3.49Å; A380-Q383 PolarHBondContact O-N 3.32Å; F381-Q383 PolarHBondContact O-N 3.35Å; Q383-P385 WeakPolarHBondContact O-CD 3.3Å
384C83.4Confident76.6Confident0 Ų061.9 Ų61.90%036%0.36CS..  trans-78.1121.3-179.9-173.40000110.8C371 L373 C374 H379 A380 F381 K386 A387 N390C371-C384 VanDerWaalsContact SG-CB 3.6Å; C371-C384 PolarHBondContact SG-SG 3.37Å; L373-C384 HydrophobicContact CD2-CB 4.46Å; C374-C384 VanDerWaalsContact SG-SG 3.68Å; H379-C384 VanDerWaalsContact CD2-CA 3.48Å; H379-C384 WeakPolarHBondContact CD2-CA 3.39Å; A380-C384 PolarHBondContact O-N 3.49Å; F381-C384 WeakPolarHBondContact O-CB 3.49Å; F381-C384 PolarHBondContact O-N 2.84Å; C384-K386 PolarHBondContact O-N 3.12Å; C384-K386 VanDerWaalsContact O-N 3.07Å; C384-A387 HydrophobicContact CB-CB 4.04Å; C384-A387 PolarHBondContact O-N 3.08Å; C384-N390 PolarHBondContact N-ND2 2.95Å; C384-N390 VanDerWaalsContact O-CB 3.26Å; C384-N390 WeakPolarHBondContact O-CB 3.23Å; C384-N390 PolarHBondContact O-ND2 2.84Å
385P82.4Confident75Confident85 Ų8567.3 Ų67.355%0.55238%0.383SS*.THydrogen-bonded Turntrans-72.92.4177.332.1-37.3000113.5Q383Q383-P385 WeakPolarHBondContact O-CD 3.3Å
386K81.3Confident73.5Confident127 Ų12772.2 Ų72.255%0.55240%0.401SS*.THydrogen-bonded Turntrans-107.6-0170.7-69.9-159.3171.1-159.20113.6T270 L373 C374 C384T270-K386 HydrophobicContact CG2-CB 4.29Å; T270-K386 HydrophobicContact CG2-CD 4.22Å; L373-K386 HydrophobicContact CD2-CB 4.49Å; L373-K386 WeakPolarHBondContact CD2-O 3.35Å; C374-K386 HydrophobicContact CB-CB 4.4Å; C374-K386 HydrophobicContact CB-CD 4.26Å; C384-K386 PolarHBondContact O-N 3.12Å; C384-K386 VanDerWaalsContact O-N 3.07Å
387A80.6Confident71.9Confident0 Ų071.1 Ų71.10%041%0.407CS..SBendtrans-83138172.900000109.3D267 L373 F381 C384 H389 N390 S391D267-A387 VanDerWaalsContact OD1-CA 3.32Å; D267-A387 WeakPolarHBondContact OD1-CA 3.33Å; L373-A387 VanDerWaalsContact CD2-CA 3.46Å; L373-A387 HydrophobicContact CD2-CB 3.64Å; F381-A387 HydrophobicContact CZ-CB 4.36Å; C384-A387 HydrophobicContact CB-CB 4.04Å; C384-A387 PolarHBondContact O-N 3.08Å; A387-H389 VanDerWaalsContact C-N 3.25Å; A387-H389 VanDerWaalsContact CB-CE1 3.42Å; A387-H389 WeakPolarHBondContact CB-CE1 3.48Å; A387-H389 PolarHBondContact O-N 3.47Å; A387-N390 PolarHBondContact O-N 2.85Å; A387-S391 PolarHBondContact O-N 3.38Å; A387-S391 PolarHBondContact O-OG 3.03Å
388V80.8Confident70Confident30 Ų3067.7 Ų67.718%0.18241%0.414CS..Hα-helixtrans-52.6-42.3-175178.70000112.6D264 E266 D267 N390 S391D264-V388 HydrophobicContact CB-CB 4.18Å; D264-V388 HydrophobicContact CB-CG2 3.67Å; E266-V388 HydrophobicContact CB-CG2 3.71Å; E266-V388 HydrophobicContact CG-CG2 4.25Å; D267-V388 PolarHBondContact OD1-N 2.92Å; V388-N390 PolarHBondContact O-N 3.1Å; V388-N390 VanDerWaalsContact O-N 3.1Å; V388-S391 WeakPolarHBondContact CA-OG 3.4Å; V388-S391 PolarHBondContact O-N 3.23Å; V388-S391 PolarHBondContact O-OG 2.84Å; V388-S391 VanDerWaalsContact O-OG 3.13Å
389H76.7Confident68.2Low96 Ų9670.7 Ų70.744%0.44442%0.42SS..Hα-helixtrans-65.4-13.9179.973.5-86.8000114.5F381 A382 A387F381-H389 AromaticContact CE1-CE1 3.82Å; A382-H389 PolarHBondContact O-NE2 2.89Å; A387-H389 VanDerWaalsContact C-N 3.25Å; A387-H389 VanDerWaalsContact CB-CE1 3.42Å; A387-H389 WeakPolarHBondContact CB-CE1 3.48Å; A387-H389 PolarHBondContact O-N 3.47Å
390N75.3Confident66.1Low38 Ų3874 Ų7420%0.20345%0.452CS..Hα-helixtrans-111.6-29.3178.6-75.9-29.7000113.7A382 C384 A387 V388 V392 A393 A394A382-N390 PolarHBondContact O-ND2 3.32Å; A382-N390 PolarHBondContact O-OD1 3.44Å; C384-N390 PolarHBondContact N-ND2 2.95Å; C384-N390 VanDerWaalsContact O-CB 3.26Å; C384-N390 WeakPolarHBondContact O-CB 3.23Å; C384-N390 PolarHBondContact O-ND2 2.84Å; A387-N390 PolarHBondContact O-N 2.85Å; V388-N390 PolarHBondContact O-N 3.1Å; V388-N390 VanDerWaalsContact O-N 3.1Å; N390-V392 VanDerWaalsContact C-N 3.33Å; N390-V392 PolarHBondContact O-N 3.45Å; N390-A393 PolarHBondContact O-N 3.37Å; N390-A394 PolarHBondContact O-N 2.79Å; N390-A394 VanDerWaalsContact O-N 3.07Å
391S65Low64.2Low31 Ų3175.5 Ų75.522%0.21747%0.471CS..Hα-helixtrans-63.5-40.6-177.651.10000111.5A387 V388 A393 A394 Q395A387-S391 PolarHBondContact O-N 3.38Å; A387-S391 PolarHBondContact O-OG 3.03Å; V388-S391 WeakPolarHBondContact CA-OG 3.4Å; V388-S391 PolarHBondContact O-N 3.23Å; V388-S391 PolarHBondContact O-OG 2.84Å; V388-S391 VanDerWaalsContact O-OG 3.13Å; S391-A393 PolarHBondContact O-N 3.38Å; S391-A394 PolarHBondContact O-N 3.14Å; S391-Q395 WeakPolarHBondContact O-CG 3.37Å; S391-Q395 PolarHBondContact O-N 3.38Å
392V57Low62.1Low83 Ų8386 Ų8650%0.50352%0.52SS..Hα-helixtrans-60.9-42.6174.6-176.50000111.5N390 A394 Q395 L396N390-V392 VanDerWaalsContact C-N 3.33Å; N390-V392 PolarHBondContact O-N 3.45Å; V392-A394 PolarHBondContact O-N 3.11Å; V392-Q395 PolarHBondContact O-N 3.01Å; V392-L396 PolarHBondContact O-N 3.21Å
393A51.4Low61.1Low54 Ų5487.1 Ų87.145%0.44652%0.519SS..Hα-helixtrans-64.7-38.3178.200000112.4N390 S391 Q395 L396N390-A393 PolarHBondContact O-N 3.37Å; S391-A393 PolarHBondContact O-N 3.38Å; A393-Q395 VanDerWaalsContact C-N 3.32Å; A393-Q395 PolarHBondContact O-N 3.41Å; A393-L396 PolarHBondContact O-N 2.93Å
394A49.8Very low60.1Low54 Ų5484.5 Ų84.545%0.44651%0.513SS..Hα-helixtrans-67.3-30.1177.100000113.2N390 S391 V392 T397N390-A394 PolarHBondContact O-N 2.79Å; N390-A394 VanDerWaalsContact O-N 3.07Å; S391-A394 PolarHBondContact O-N 3.14Å; V392-A394 PolarHBondContact O-N 3.11Å; A394-T397 PolarHBondContact O-OG1 3.48Å
395Q48.8Very low58.8Low139 Ų13989.2 Ų89.265%0.6554%0.542SS*.Hα-helixtrans-72.1-37.2177.5-71.9173.6-63.600112.3S391 V392 A393 T397 G398S391-Q395 WeakPolarHBondContact O-CG 3.37Å; S391-Q395 PolarHBondContact O-N 3.38Å; V392-Q395 PolarHBondContact O-N 3.01Å; A393-Q395 VanDerWaalsContact C-N 3.32Å; A393-Q395 PolarHBondContact O-N 3.41Å; Q395-T397 VanDerWaalsContact C-N 3.3Å; Q395-T397 PolarHBondContact O-N 3.35Å; Q395-G398 PolarHBondContact O-N 3.47Å; Q395-G398 VanDerWaalsContact O-N 3.12Å
396L49.3Very low57.4Low133 Ų13389.5 Ų89.570%0.69654%0.541SS*.Hα-helixtrans-65.6-31.1177.6-67.8173000113V392 A393 G398V392-L396 PolarHBondContact O-N 3.21Å; A393-L396 PolarHBondContact O-N 2.93Å; L396-G398 PolarHBondContact O-N 3.16Å
397T49.7Very low55.9Low116 Ų11687.1 Ų87.171%0.71254%0.541SS*.THydrogen-bonded Turntrans-73.5-10.4174.4460000114.5A394 Q395A394-T397 PolarHBondContact O-OG1 3.48Å; Q395-T397 VanDerWaalsContact C-N 3.3Å; Q395-T397 PolarHBondContact O-N 3.35Å
398G44.6Very low54.3Low67 Ų6792.9 Ų92.969%0.69158%0.577SS**THydrogen-bonded Turntrans-87.4-4.8-17700000115.9Q395 L396Q395-G398 PolarHBondContact O-N 3.47Å; Q395-G398 VanDerWaalsContact O-N 3.12Å; L396-G398 PolarHBondContact O-N 3.16Å
399V46.3Very low52.4Low126 Ų12697.4 Ų97.476%0.76461%0.605SS**SBendtrans-105.5-14.4-172-169.40000112.7G401V399-G401 VanDerWaalsContact C-N 3.33Å; V399-G401 PolarHBondContact O-N 3.47Å
400A38.8Very low50.5Low100 Ų10097.5 Ų97.583%0.82662%0.617SS**SBendtrans-92.246.5-176.200000113.2
401G44.5Very low48.5Very low63 Ų63102.5 Ų102.565%0.64965%0.652SS**  trans-169.366.5-173.300000114.9V399V399-G401 VanDerWaalsContact C-N 3.33Å; V399-G401 PolarHBondContact O-N 3.47Å
402H36.7Very low47Very low264 Ų264109 Ų109100%1.22269%0.691SS**  trans-149.50165.3-110.5-60.1000111

Retrieved 402 of 402 residues in 601 ms (Link to these results)