A0A096NYR3_PAPAN Loading...

Fibroblast growth factor

AlphaFold DB (P61150), UniProt , Accession A0A096NYR3, Species PAPAN (Papio anubis, Olive baboon), Gene FGF12, Length 243 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
1M49.8Very low66.5Low221 Ų221105.2 Ų105.2100%1.08962%0.618SS**  0-40.10-82.7-179.2-110.800114.3A3 A4M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.3Å; M1-A4 PolarHBondContact O-N 2.88Å
2A54.1Low67.4Low83 Ų83106.4 Ų106.469%0.68661%0.614SS**Hα-helixtrans-60.8-29.7-175.700000116.1A4 I5A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 3.08Å; A2-I5 PolarHBondContact O-N 3.32Å
3A57.4Low68.4Low77 Ų77109.6 Ų109.664%0.63662%0.616SS**Hα-helixtrans-64.8-31.9-178.300000113.7M1 I5 S7M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.3Å; A3-I5 VanDerWaalsContact C-N 3.34Å; A3-I5 PolarHBondContact O-N 2.95Å; A3-S7 PolarHBondContact O-N 3.43Å; A3-S7 PolarHBondContact O-OG 3.27Å
4A63.7Low69.1Low74 Ų74114.1 Ų114.161%0.61262%0.618SS**Hα-helixtrans-68-34.5-17900000112.4M1 A2 S8M1-A4 PolarHBondContact O-N 2.88Å; A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 3.08Å; A4-S8 PolarHBondContact O-N 3.36Å
5I63.3Low69.7Low113 Ų113115 Ų11558%0.57962%0.617SS**Hα-helixtrans-69.2-44.9-179.4-57.7177.2000110.2A2 A3 S7 S8 L9A2-I5 PolarHBondContact O-N 3.32Å; A3-I5 VanDerWaalsContact C-N 3.34Å; A3-I5 PolarHBondContact O-N 2.95Å; I5-S7 VanDerWaalsContact C-N 3.31Å; I5-S7 PolarHBondContact O-N 3.2Å; I5-S8 PolarHBondContact O-N 2.79Å; I5-S8 VanDerWaalsContact O-N 3.13Å; I5-S8 PolarHBondContact O-OG 3.41Å; I5-L9 PolarHBondContact O-N 2.99Å
6A65Low69.7Low58 Ų58111.7 Ų111.748%0.47961%0.61SS.*Hα-helixtrans-63-35.7179.600000112.6S8A6-S8 VanDerWaalsContact C-N 3.34Å
7S69.7Low69.6Low74 Ų74116.7 Ų116.752%0.51762%0.618SS.*Hα-helixtrans-67.1-32.7175.3-59.30000113.1A3 I5A3-S7 PolarHBondContact O-N 3.43Å; A3-S7 PolarHBondContact O-OG 3.27Å; I5-S7 VanDerWaalsContact C-N 3.31Å; I5-S7 PolarHBondContact O-N 3.2Å
8S79.2Confident69.3Low55 Ų55117.4 Ų117.439%0.38562%0.617SS.*Hα-helixtrans-68.2-41.3179.880.10000112.8A4 I5 A6 I10 R11 Q12A4-S8 PolarHBondContact O-N 3.36Å; I5-S8 PolarHBondContact O-N 2.79Å; I5-S8 VanDerWaalsContact O-N 3.13Å; I5-S8 PolarHBondContact O-OG 3.41Å; A6-S8 VanDerWaalsContact C-N 3.34Å; S8-I10 VanDerWaalsContact C-N 3.32Å; S8-I10 PolarHBondContact O-N 3.02Å; S8-R11 PolarHBondContact O-N 3.36Å; S8-Q12 PolarHBondContact O-N 3.37Å
9L73.2Confident69Low107 Ų107115.9 Ų115.956%0.5662%0.618SS**Hα-helixtrans-65.9-33.3-178.5-74.3169.5000112.7I5 K13I5-L9 PolarHBondContact O-N 2.99Å; L9-K13 PolarHBondContact O-N 3.37Å
10I76.6Confident68.4Low108 Ų108116.4 Ų116.455%0.55462%0.62SS**Hα-helixtrans-68.6-37.2177.5-63.6170.4000110.9S8 R14S8-I10 VanDerWaalsContact C-N 3.32Å; S8-I10 PolarHBondContact O-N 3.02Å; I10-R14 PolarHBondContact O-N 3.34Å
11R79.1Confident67.6Low187 Ų187114.9 Ų114.971%0.70662%0.619SS**Hα-helixtrans-67-46.1177.2-74.9-175.3176.7-164.6-1111.5S8 K13 R14 Q15S8-R11 PolarHBondContact O-N 3.36Å; R11-K13 VanDerWaalsContact C-N 3.32Å; R11-K13 PolarHBondContact O-N 3.33Å; R11-R14 PolarHBondContact O-N 3.22Å; R11-Q15 WeakPolarHBondContact O-CG 3.48Å; R11-Q15 PolarHBondContact O-N 3.36Å
12Q78.4Confident67.3Low120 Ų120110.6 Ų110.656%0.56160%0.601SS**Hα-helixtrans-59.7-41.7178.6-74-177.4-18.500112.2S8 R14 Q15 A16S8-Q12 PolarHBondContact O-N 3.37Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 3.38Å; Q12-Q15 PolarHBondContact O-N 3.23Å; Q12-A16 WeakPolarHBondContact O-CB 3.43Å; Q12-A16 PolarHBondContact O-N 3.38Å
13K80.3Confident66.7Low148 Ų148117.3 Ų117.364%0.64361%0.608SS**Hα-helixtrans-68.3-29.2179.9-167.3170.5-177.2172.60113.4L9 R11L9-K13 PolarHBondContact O-N 3.37Å; R11-K13 VanDerWaalsContact C-N 3.32Å; R11-K13 PolarHBondContact O-N 3.33Å
14R77.8Confident65.6Low172 Ų172119.4 Ų119.465%0.64961%0.613SS**Hα-helixtrans-73.8-45.9173.1-74.3-176.1177.7-169.3-1.6111.2I10 R11 Q12 A16 R17 E18I10-R14 PolarHBondContact O-N 3.34Å; R11-R14 PolarHBondContact O-N 3.22Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 3.38Å; R14-A16 VanDerWaalsContact C-N 3.3Å; R14-A16 PolarHBondContact O-N 3.2Å; R14-R17 WeakPolarHBondContact O-CB 3.49Å; R14-R17 PolarHBondContact O-N 3.21Å; R14-E18 PolarHBondContact O-N 3.13Å; R14-E18 VanDerWaalsContact O-N 3.12Å
15Q78.1Confident64.5Low128 Ų128121 Ų12160%0.59862%0.619SS**Hα-helixtrans-60-38.8177.5-72176.8-27.100112.5R11 Q12 R17 E18 S19R11-Q15 WeakPolarHBondContact O-CG 3.48Å; R11-Q15 PolarHBondContact O-N 3.36Å; Q12-Q15 PolarHBondContact O-N 3.23Å; Q15-R17 VanDerWaalsContact C-N 3.25Å; Q15-R17 PolarHBondContact O-N 3.46Å; Q15-E18 PolarHBondContact O-N 3.33Å; Q15-S19 WeakPolarHBondContact O-CB 3.49Å; Q15-S19 PolarHBondContact O-N 3.22Å; Q15-S19 PolarHBondContact O-OG 3.37Å
16A69.4Low63.1Low62 Ų62120 Ų12051%0.51263%0.628SS.*Hα-helixtrans-66.6-23.3176.100000114.1Q12 R14 S19Q12-A16 WeakPolarHBondContact O-CB 3.43Å; Q12-A16 PolarHBondContact O-N 3.38Å; R14-A16 VanDerWaalsContact C-N 3.3Å; R14-A16 PolarHBondContact O-N 3.2Å; A16-S19 PolarHBondContact O-OG 3.19Å
17R68.8Low61.7Low197 Ų197122.6 Ų122.674%0.74364%0.643SS**Hα-helixtrans-81.8-38174.3-79.3-176.3170.5-162.9-4.3111.8R14 Q15R14-R17 WeakPolarHBondContact O-CB 3.49Å; R14-R17 PolarHBondContact O-N 3.21Å; Q15-R17 VanDerWaalsContact C-N 3.25Å; Q15-R17 PolarHBondContact O-N 3.46Å
18E63.8Low59.9Low129 Ų129128.5 Ų128.560%0.60366%0.659SS**Hα-helixtrans-73.4-37.5178.2-69.8169.3-175.900111.4R14 Q15 N20 S21R14-E18 PolarHBondContact O-N 3.13Å; R14-E18 VanDerWaalsContact O-N 3.12Å; Q15-E18 PolarHBondContact O-N 3.33Å; E18-N20 PolarHBondContact O-N 3.3Å; E18-N20 VanDerWaalsContact O-N 3.08Å; E18-S21 PolarHBondContact O-N 3.12Å; E18-S21 PolarHBondContact O-OG 3.03Å
19S63.9Low57.6Low89 Ų89137.9 Ų137.962%0.62269%0.686SS**THydrogen-bonded Turntrans-65.8-14.7176.467.70000114.1Q15 A16Q15-S19 WeakPolarHBondContact O-CB 3.49Å; Q15-S19 PolarHBondContact O-N 3.22Å; Q15-S19 PolarHBondContact O-OG 3.37Å; A16-S19 PolarHBondContact O-OG 3.19Å
20N56.3Low55.7Low126 Ų126144.5 Ų144.567%0.67470%0.704SS**THydrogen-bonded Turntrans-100.7-3.1-178.4-14836.7000113.2E18E18-N20 PolarHBondContact O-N 3.3Å; E18-N20 VanDerWaalsContact O-N 3.08Å
21S52.4Low53.6Low84 Ų84145 Ų14559%0.58772%0.717SS**SBendtrans-80.1-19.4177.8600000113.7E18E18-S21 PolarHBondContact O-N 3.12Å; E18-S21 PolarHBondContact O-OG 3.03Å
22D42.3Very low51.3Low132 Ų132141.6 Ų141.671%0.70672%0.721SS**SBendtrans-101.112.2-168.9-63.7-7.8000114.3
23R41.6Very low49.5Very low224 Ų224141.6 Ų141.685%0.84573%0.732SS**SBendtrans-101.476.4169-78.9-172.4175178-0.5112.3
24V35.6Very low47.3Very low121 Ų121140 Ų14073%0.73374%0.74SS**  48.5114.7124178.20000119.1
25S39.6Very low45.5Very low106 Ų106141.7 Ų141.774%0.74175%0.752SS**  trans62130.513878.10000122
26A34.1Very low43.2Very low94 Ų94143.2 Ų143.278%0.77776%0.764SS**  trans-47.7129.3160.400000113.2
27S34.9Very low41.6Very low112 Ų112143.9 Ų143.978%0.78378%0.776SS**  trans-165.6124.1140.5-93.30000113.6
28K32Very low39.8Very low198 Ų198146.3 Ų146.386%0.86179%0.786SS**  trans61.3120.7143.6-69.5178.6177.31750120.3R30K28-R30 PolarHBondContact O-N 3.1Å
29R30.4Very low38.6Very low251 Ų251145.9 Ų145.995%0.94780%0.797SS**  trans-34.3125.4159.5-73.2175.8171.6-177.6-3.2112.1
30R34.4Very low37.2Very low247 Ų247149.9 Ų149.993%0.93281%0.81SS**PPolyproline II helixtrans-78.8121162.7-76177.6168.6-178.8-4.6109.2K28K28-R30 PolarHBondContact O-N 3.1Å
31S31.8Very low36.5Very low119 Ų119149.8 Ų149.883%0.83282%0.818SS**PPolyproline II helixtrans-95.8130.3156.6550000108.6
32S31.9Very low35.8Very low114 Ų114153 Ų15380%0.79782%0.824SS**PPolyproline II helixtrans-86159.1177.8-12.70000111.8
33P40Very low35.8Very low121 Ų121156.6 Ų156.679%0.78683%0.828SS**PPolyproline II helixtrans-94.7149-143.434.2-33.9000115.5
34S34.7Very low35.5Very low115 Ų115154.2 Ų154.280%0.80483%0.826SS**PPolyproline II helixtrans-61.9133.6161.447.20000111.3
35K39.5Very low35.9Very low207 Ų207155 Ų15590%0.983%0.83SS**  trans-125.7109168.7-157.6177.6-176.4-178.40108
36D30.3Very low36Very low160 Ų160157.3 Ų157.386%0.85683%0.834SS**  trans-61.4148.5170-69.1-60.8000111.6
37G34.3Very low36.5Very low75 Ų75155.7 Ų155.777%0.77383%0.827SS**  trans170.666.7174.500000115.1
38R32.2Very low36.8Very low249 Ų249156.1 Ų156.194%0.9482%0.824SS**  trans16.5125148-60.2175.8176.9-179.9-2.3118.8
39S37.8Very low37.5Very low120 Ų120156.2 Ų156.284%0.83983%0.825SS**  -166.5125.211864.40000111.7C41S39-C41 PolarHBondContact O-N 3.23Å
40L34.9Very low38.2Very low172 Ų172148.5 Ų148.590%0.90181%0.809SS**  trans-63.3120.4166.3-79.9148.4000110.1
41C42.7Very low38.8Very low125 Ų125147.3 Ų147.385%0.84581%0.811SS**  trans-148.584.4149.5-100.50000108.3S39 R43S39-C41 PolarHBondContact O-N 3.23Å; C41-R43 PolarHBondContact O-N 3.46Å
42E36.5Very low39.6Very low150 Ų150147.1 Ų147.170%0.70180%0.804SS**  trans-0.8113.3132.5-144.4-171.9121.700115.1
43R42.3Very low40.3Very low208 Ų208152.2 Ų152.279%0.78581%0.806SS**  166.5135.6106.3-87.7-175.5-176.6169.81.4112C41 V45C41-R43 PolarHBondContact O-N 3.46Å; R43-V45 PolarHBondContact O-N 3.1Å
44H36.1Very low40.7Very low174 Ų174156.3 Ų156.381%0.80681%0.812SS**  trans-48126167.5-76.8-119.5000112.4
45V44.4Very low41.4Very low137 Ų137154.9 Ų154.983%0.8380%0.801SS**  trans-132.398.1146.2-176.60000106.8R43 G47R43-V45 PolarHBondContact O-N 3.1Å; V45-G47 PolarHBondContact O-N 3.21Å
46L41.4Very low42.2Very low155 Ų155150 Ų15081%0.81279%0.793SS**  trans-65.787.1161.9-70.4168.6000107.3V48L46-V48 PolarHBondContact O-N 3.35Å
47G43.3Very low43.6Very low61 Ų61146.1 Ų146.163%0.62979%0.791SS**  trans-94.386.8177.200000110.9V45 F49V45-G47 PolarHBondContact O-N 3.21Å; G47-F49 PolarHBondContact O-N 3.41Å
48V42.5Very low44.8Very low120 Ų120153.9 Ų153.973%0.72780%0.797SS**  trans-84.468.7-178-1610000110.7L46L46-V48 PolarHBondContact O-N 3.35Å
49F45.6Very low46Very low200 Ų200151.7 Ų151.788%0.87779%0.794SS**  trans-154.1135169-68.1-81.9000107.6G47G47-F49 PolarHBondContact O-N 3.41Å
50S45.4Very low47.3Very low89 Ų89156.9 Ų156.962%0.62280%0.795SS**  cis-170141.89.538.10000106.3V52S50-V52 PolarHBondContact O-N 2.91Å
51K47.2Very low48.7Very low222 Ų222154.5 Ų154.597%0.96579%0.79SS**  trans-46.8100.2162.7-88.4164.2164.5154.90109.9
52V48.9Very low50Low115 Ų115154.9 Ų154.970%0.69779%0.788SS**  trans-118113.3162.4-166.70000108.2S50 F54S50-V52 PolarHBondContact O-N 2.91Å; V52-F54 PolarHBondContact O-N 2.82Å
53R46.2Very low51.4Low222 Ų222159.2 Ų159.284%0.83880%0.798SS**  trans-73.8102-170.7-170.5-176.6-170.31610.9109.7C55R53-C55 PolarHBondContact O-N 3.36Å
54F48.3Very low52.5Low206 Ų206160.3 Ų160.390%0.90480%0.802SS**  trans-82.395.2161.9-96.5-82.9000109.2V52V52-F54 PolarHBondContact O-N 2.82Å
55C49.6Very low54.1Low86 Ų86163.2 Ų163.258%0.58181%0.806SS**  trans-56136.1171.4-670000111.5R53R53-C55 PolarHBondContact O-N 3.36Å
56S56.2Low55.5Low105 Ų105162.4 Ų162.473%0.73480%0.804SS**  trans49.489.5154.954.40000117.4R58S56-R58 PolarHBondContact O-N 3.32Å
57G59.4Low57Low78 Ų78159.9 Ų159.980%0.80479%0.788SS**  trans-55.596.8157.300000110.7K59G57-K59 PolarHBondContact O-N 2.78Å
58R60Low58.5Low237 Ų237160.8 Ų160.889%0.89478%0.782SS**  trans-55.2108.1162.5-82.1-177.7173.1-173-1.8106.9S56 R60S56-R58 PolarHBondContact O-N 3.32Å; R58-R60 PolarHBondContact O-N 2.87Å
59K57.1Low60.6Low203 Ų203161.5 Ų161.588%0.88378%0.778SS**  trans-54.4113.3168.8-71.2-173.8178.7179.30106.8G57G57-K59 PolarHBondContact O-N 2.78Å
60R65.6Low62.7Low229 Ų229153.8 Ų153.886%0.86475%0.745SS**  trans-56.5132.8174.1-68.2-179.4176.1176.2-1.5107.4R58 V62R58-R60 PolarHBondContact O-N 2.87Å; R60-V62 PolarHBondContact O-N 3.49Å; R60-V62 VanDerWaalsContact O-N 3.14Å
61P64Low65Low123 Ų123156.3 Ų156.380%0.79975%0.745SS**  trans-54.8125.6176.9-1826.5000108.7R63P61-R63 PolarHBondContact O-N 3.5Å
62V70.5Confident67.3Low132 Ų132145.9 Ų145.980%0.870%0.701SS**  trans-59.1107170.3177.30000105.7R60 R64R60-V62 PolarHBondContact O-N 3.49Å; R60-V62 VanDerWaalsContact O-N 3.14Å; V62-R64 VanDerWaalsContact C-N 3.33Å; V62-R64 PolarHBondContact O-N 2.93Å
63R66.1Low69.6Low241 Ų241142.4 Ų142.491%0.90968%0.678SS**  trans-57.5101.8170.7-86.6-175.1170.3176-3.1106.3P61 R65P61-R63 PolarHBondContact O-N 3.5Å; R63-R65 PolarHBondContact O-N 2.98Å; R63-R65 VanDerWaalsContact O-N 3.12Å
64R65.3Low72.1Confident232 Ų232132.4 Ų132.488%0.87564%0.642SS**PPolyproline II helixtrans-55.8120.7169.2-70.8-171.7176.5172.7-0.5105.8V62V62-R64 VanDerWaalsContact C-N 3.33Å; V62-R64 PolarHBondContact O-N 2.93Å
65R68.3Low74.4Confident235 Ų235122.6 Ų122.689%0.88760%0.599SS**PPolyproline II helixtrans-56.4131.9169.3-80.1-173.6167.5-175.1-3.5106.5R63 E67R63-R65 PolarHBondContact O-N 2.98Å; R63-R65 VanDerWaalsContact O-N 3.12Å; R65-E67 PolarHBondContact O-N 3.02Å
66P74.5Confident76.7Confident120 Ų120120.8 Ų120.878%0.77958%0.58SS**PPolyproline II helixtrans-51.5133.5171.2-22.532.1000108.4
67E72.9Confident78.7Confident102 Ų102115.8 Ų115.848%0.47755%0.545SS..PPolyproline II helixtrans-54.9141.7174.3-72.6-169.4160.300109R65 Q69 R209R65-E67 PolarHBondContact O-N 3.02Å; E67-Q69 PolarHBondContact O-N 2.97Å; E67-Q69 VanDerWaalsContact O-N 3.1Å; E67-R209 IonicContact OE1-CZ 3.46Å; E67-R209 VanDerWaalsContact OE1-CZ 3.24Å; E67-R209 IonicContact OE1-NH1 3.98Å; E67-R209 PolarHBondContact OE1-NH1 3.08Å; E67-R209 IonicContact OE1-NH2 2.94Å; E67-R209 PolarHBondContact OE1-NH2 3.48Å; E67-R209 IonicContact OE2-CZ 3.31Å; E67-R209 IonicContact OE2-NE 2.74Å; E67-R209 IonicContact OE2-NH1 3.01Å; E67-R209 PolarHBondContact OE2-NH1 3.01Å; E67-R209 IonicContact OE2-NH2 2.85Å; E67-R209 PolarHBondContact OE2-NH2 3.38Å
68P75Confident80.6Confident79 Ų79115.1 Ų115.151%0.51352%0.52SS..PPolyproline II helixtrans-58.1119.7176.923-31.1000109.5E210P68-E210 HydrophobicContact CG-CB 4.41Å; P68-E210 WeakPolarHBondContact CG-OE2 3.37Å
69Q86.2Confident82.4Confident135 Ų135103.9 Ų103.963%0.63148%0.477SS*.EExtended strand (participates in β ladder)trans-104.4124.1177.7-73.1-179.9-10.700109.3E67 M207 Y208E67-Q69 PolarHBondContact O-N 2.97Å; E67-Q69 VanDerWaalsContact O-N 3.1Å; Q69-M207 HydrophobicContact CB-CB 4.29Å; Q69-M207 HydrophobicContact CB-SD 4.44Å; Q69-Y208 CarbonylContact C-O 3.54Å; Q69-Y208 WeakPolarHBondContact CA-O 3.38Å
70L90.9Very high84.3Confident38 Ų3897.8 Ų97.820%0.19945%0.452CS..EExtended strand (participates in β ladder)trans-90123.4175.1-61.2174.6000108.8G72 I109 P110 V111 Y208 E210L70-G72 PolarHBondContact O-N 3.48Å; L70-I109 HydrophobicContact CB-CG2 4.33Å; L70-I109 HydrophobicContact CD1-CG2 3.87Å; L70-P110 HydrophobicContact CB-CG 4.5Å; L70-P110 WeakPolarHBondContact CD1-O 3.31Å; L70-V111 HydrophobicContact CD1-CG1 4.5Å; L70-Y208 PolarHBondContact N-O 2.7Å; L70-Y208 PolarHBondContact O-N 3.21Å; L70-E210 HydrophobicContact CD1-CB 4.16Å; L70-E210 HydrophobicContact CD1-CG 4.25Å; L70-E210 HydrophobicContact CG-CB 4.43Å
71K93.4Very high85.8Confident142 Ų14289 Ų8962%0.61742%0.421SS*.EExtended strand (participates in β ladder)trans-80.6100.4175.4-173.4-178-178.3-179.10109.5P110 V205 M207K71-P110 VanDerWaalsContact O-CG 3.26Å; K71-P110 WeakPolarHBondContact O-CG 3.44Å; K71-V205 HydrophobicContact CD-CG1 4.25Å; K71-V205 HydrophobicContact CG-CG1 3.83Å; K71-M207 HydrophobicContact CB-CE 4.29Å; K71-M207 HydrophobicContact CB-SD 3.86Å; K71-M207 HydrophobicContact CD-CE 4.42Å; K71-M207 HydrophobicContact CG-CE 4.18Å; K71-M207 HydrophobicContact CG-SD 4.17Å
72G95.5Very high87.4Confident4 Ų484.6 Ų84.64%0.04140%0.398CS..EExtended strand (participates in β ladder)trans-111.3-166.7174.700000111.9L70 L108 C206L70-G72 PolarHBondContact O-N 3.48Å; G72-L108 WeakPolarHBondContact CA-O 3.21Å; G72-C206 PolarHBondContact N-O 2.97Å; G72-C206 PolarHBondContact O-N 3.26Å
73I96.7Very high88.8Confident42 Ų4280 Ų8022%0.21537%0.367CS..EExtended strand (participates in β ladder)trans-134.3153.4178.159.1174.2000110.9T75 L108 P202 E204 V205 Y208I73-T75 HydrophobicContact CD1-CG2 4.37Å; I73-T75 HydrophobicContact CG1-CG2 4.46Å; I73-L108 HydrophobicContact CD1-CB 4.47Å; I73-L108 HydrophobicContact CD1-CD2 4.24Å; I73-L108 HydrophobicContact CG1-CB 3.79Å; I73-L108 HydrophobicContact CG1-CD2 4.4Å; I73-L108 PolarHBondContact N-O 3.15Å; I73-L108 PolarHBondContact O-N 2.91Å; I73-P202 HydrophobicContact CD1-CB 4.07Å; I73-P202 HydrophobicContact CD1-CG 4Å; I73-E204 CarbonylContact C-O 3.4Å; I73-E204 VanDerWaalsContact CA-O 3.25Å; I73-E204 WeakPolarHBondContact CA-O 3.45Å; I73-E204 WeakPolarHBondContact CB-O 3.49Å; I73-V205 HydrophobicContact CG2-CG2 4.07Å; I73-Y208 PolarHBondContact O-OH 2.99Å
74V97.9Very high90.3Very high11 Ų1169 Ų697%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-91.3126159.7-178.20000106.7L105 F106 V121 I203 E204 Y208V74-L105 HydrophobicContact CG1-CD2 4.28Å; V74-F106 WeakPolarHBondContact CA-O 3.44Å; V74-V121 HydrophobicContact CG1-CG2 4.22Å; V74-I203 HydrophobicContact CG1-CD1 4.48Å; V74-I203 PolarHBondContact O-N 3.09Å; V74-E204 HydrophobicContact CB-CG 3.8Å; V74-E204 HydrophobicContact CG2-CG 3.89Å; V74-E204 PolarHBondContact N-O 3.29Å; V74-E204 PolarHBondContact O-N 2.9Å; V74-Y208 WeakPolarHBondContact CG2-OH 3Å
75T97.9Very high91.9Very high0 Ų057.9 Ų57.90%028%0.283CS..EExtended strand (participates in β ladder)trans-142.7154.1-174-171.50000110.9I73 L77 F106 L108 K201I73-T75 HydrophobicContact CD1-CG2 4.37Å; I73-T75 HydrophobicContact CG1-CG2 4.46Å; T75-L77 HydrophobicContact CG2-CD2 4.14Å; T75-F106 PolarHBondContact N-O 3.22Å; T75-F106 PolarHBondContact O-N 3.2Å; T75-L108 HydrophobicContact CG2-CB 3.95Å; T75-L108 HydrophobicContact CG2-CD2 4.4Å; T75-K201 WeakPolarHBondContact CA-O 3.41Å; T75-K201 PolarHBondContact OG1-N 3.23Å; T75-K201 PolarHBondContact OG1-O 2.97Å
76R98Very high93.3Very high49 Ų4947.4 Ų47.419%0.18524%0.244CC..EExtended strand (participates in β ladder)trans-94.6145.8158.8-63.7-177.7175.796.7-1.1109.2F84 E99 T104 L105 K201 I203R76-F84 HydrophobicContact CB-CD1 3.95Å; R76-F84 HydrophobicContact CB-CE1 4.21Å; R76-E99 PolarHBondContact NE-O 3.13Å; R76-T104 WeakPolarHBondContact CD-OG1 3.36Å; R76-T104 PolarHBondContact NE-OG1 3.35Å; R76-T104 VanDerWaalsContact NE-OG1 3.09Å; R76-L105 HydrophobicContact CG-CD2 4.21Å; R76-K201 HydrophobicContact CB-CB 4.43Å; R76-K201 PolarHBondContact N-O 3.45Å; R76-K201 PolarHBondContact O-N 2.99Å; R76-I203 HydrophobicContact CG-CD1 4.24Å; R76-I203 VanDerWaalsContact NH1-CD1 3.27Å
77L98Very high94.4Very high0 Ų041.7 Ų41.70%021%0.207CC..EExtended strand (participates in β ladder)trans-108.7103.1175.8-64.9179.5000109T75 F84 L85 I118 Y159 F198 P200T75-L77 HydrophobicContact CG2-CD2 4.14Å; L77-F84 WeakPolarHBondContact O-CA 3.39Å; L77-L85 HydrophobicContact CB-CB 4.07Å; L77-L85 HydrophobicContact CD1-CD2 3.91Å; L77-L85 PolarHBondContact O-N 3.03Å; L77-I118 HydrophobicContact CD1-CG2 4.41Å; L77-Y159 HydrophobicContact CD1-CE2 4.17Å; L77-Y159 HydrophobicContact CD2-CE2 4.18Å; L77-Y159 WeakPolarHBondContact CD2-OH 3.32Å; L77-F198 HydrophobicContact CB-CD1 4.03Å; L77-P200 HydrophobicContact CD2-CB 4.05Å; L77-P200 HydrophobicContact CD2-CG 4.03Å
78F98.1Very high95.6Very high64 Ų6439.1 Ų39.128%0.28120%0.195SC..EExtended strand (participates in β ladder)trans-88.6118.8178.6-174.9-107.6000110.6F84 F198 V199F78-F84 HydrophobicContact CB-CD1 4.01Å; F78-F84 HydrophobicContact CB-CE1 3.83Å; F78-F84 AromaticContact CD2-CD1 3.84Å; F78-F84 HydrophobicContact CD2-CD1 3.84Å; F78-F84 HydrophobicContact CD2-CD2 4.06Å; F78-F84 AromaticContact CD2-CE1 3.63Å; F78-F84 HydrophobicContact CD2-CE1 3.63Å; F78-F84 AromaticContact CD2-CE2 3.84Å; F78-F84 HydrophobicContact CD2-CE2 3.84Å; F78-F84 HydrophobicContact CD2-CG 4.06Å; F78-F84 AromaticContact CD2-CZ 3.63Å; F78-F84 HydrophobicContact CD2-CZ 3.63Å; F78-F84 HydrophobicContact CE2-CD2 4.46Å; F78-F84 HydrophobicContact CE2-CE2 4.13Å; F78-F84 HydrophobicContact CE2-CZ 4.23Å; F78-F84 HydrophobicContact CG-CD1 4.43Å; F78-F84 HydrophobicContact CG-CE1 4.12Å; F78-F84 HydrophobicContact CG-CZ 4.42Å; F78-F198 CarbonylContact O-C 3.57Å; F78-F198 VanDerWaalsContact O-CA 3.28Å; F78-F198 WeakPolarHBondContact O-CA 3.41Å; F78-V199 PolarHBondContact N-O 3.32Å; F78-V199 PolarHBondContact O-N 2.76Å
79S97.9Very high96.6Very high0 Ų039.2 Ų39.20%020%0.196CC..EExtended strand (participates in β ladder)trans-79.9145.1177.3-1770000111.5Q81 G82 Y83 H197S79-Q81 PolarHBondContact O-N 3.06Å; S79-Q81 PolarHBondContact OG-N 3.13Å; S79-G82 PolarHBondContact O-N 2.87Å; S79-Y83 VanDerWaalsContact CB-O 3.3Å; S79-Y83 WeakPolarHBondContact CB-O 3.13Å; S79-Y83 PolarHBondContact N-O 2.74Å; S79-H197 WeakPolarHBondContact CA-O 3.3Å
80Q97.6Very high97.1Very high76 Ų7638.3 Ų38.336%0.35520%0.195SC..THydrogen-bonded Turntrans-57.7-21.4170.7-171.3179.78.500112.6G82 Y156 P194 H197Q80-G82 PolarHBondContact O-N 3.36Å; Q80-Y156 HydrophobicContact CB-CE1 4.08Å; Q80-Y156 VanDerWaalsContact CD-OH 3.31Å; Q80-Y156 HydrophobicContact CG-CE1 4.16Å; Q80-Y156 PolarHBondContact NE2-OH 2.82Å; Q80-Y156 VanDerWaalsContact NE2-OH 3.17Å; Q80-P194 HydrophobicContact CB-CB 4.23Å; Q80-P194 HydrophobicContact CG-CB 4.09Å; Q80-H197 HydrophobicContact CB-CB 3.85Å; Q80-H197 PolarHBondContact N-O 3.46Å; Q80-H197 PolarHBondContact OE1-ND1 3.45Å
81Q97.6Very high97.4Very high43 Ų4336.9 Ų36.920%0.20119%0.19CC..THydrogen-bonded Turntrans-69.4-5.2174.9-58-77.852.200113.4S79 Y83 L177 N178S79-Q81 PolarHBondContact O-N 3.06Å; S79-Q81 PolarHBondContact OG-N 3.13Å; Q81-Y83 HydrophobicContact CB-CD2 4.12Å; Q81-Y83 VanDerWaalsContact O-CD2 3.29Å; Q81-Y83 WeakPolarHBondContact O-CD2 3.29Å; Q81-Y83 WeakPolarHBondContact O-CE2 3.37Å; Q81-L177 PolarHBondContact NE2-O 3.3Å; Q81-N178 WeakPolarHBondContact CG-O 3.29Å; Q81-N178 VanDerWaalsContact NE2-C 3.31Å; Q81-N178 PolarHBondContact NE2-O 2.98Å
82G97.8Very high97.6Very high31 Ų3133.2 Ų33.232%0.3218%0.179SC..SBendtrans9222.8176.900000114.5S79 Q80S79-G82 PolarHBondContact O-N 2.87Å; Q80-G82 PolarHBondContact O-N 3.36Å
83Y98.4Very high97.7Very high37 Ų3733.7 Ų33.715%0.14518%0.181CC..  trans-130.2140.2-177.9-62.1-93.9000110.8S79 Q81 G95 T96 K97 K179S79-Y83 VanDerWaalsContact CB-O 3.3Å; S79-Y83 WeakPolarHBondContact CB-O 3.13Å; S79-Y83 PolarHBondContact N-O 2.74Å; Q81-Y83 HydrophobicContact CB-CD2 4.12Å; Q81-Y83 VanDerWaalsContact O-CD2 3.29Å; Q81-Y83 WeakPolarHBondContact O-CD2 3.29Å; Q81-Y83 WeakPolarHBondContact O-CE2 3.37Å; Y83-G95 WeakPolarHBondContact CD1-O 3.3Å; Y83-T96 CarbonylContact C-O 3.49Å; Y83-T96 WeakPolarHBondContact CA-O 3.29Å; Y83-K97 HydrophobicContact CD1-CG 3.94Å; Y83-K97 HydrophobicContact CE1-CD 4.42Å; Y83-K97 HydrophobicContact CE1-CG 3.95Å; Y83-K179 WeakPolarHBondContact CE2-O 3.42Å; Y83-K179 PolarHBondContact OH-O 2.74Å
84F98.3Very high97.7Very high8 Ų834 Ų344%0.03518%0.183CC..EExtended strand (participates in β ladder)trans-75.5132.9161.2-67.2-79.9000109.2R76 L77 F78 Q86 G95 T96 E99 T104 K201R76-F84 HydrophobicContact CB-CD1 3.95Å; R76-F84 HydrophobicContact CB-CE1 4.21Å; L77-F84 WeakPolarHBondContact O-CA 3.39Å; F78-F84 HydrophobicContact CB-CD1 4.01Å; F78-F84 HydrophobicContact CB-CE1 3.83Å; F78-F84 AromaticContact CD2-CD1 3.84Å; F78-F84 HydrophobicContact CD2-CD1 3.84Å; F78-F84 HydrophobicContact CD2-CD2 4.06Å; F78-F84 AromaticContact CD2-CE1 3.63Å; F78-F84 HydrophobicContact CD2-CE1 3.63Å; F78-F84 AromaticContact CD2-CE2 3.84Å; F78-F84 HydrophobicContact CD2-CE2 3.84Å; F78-F84 HydrophobicContact CD2-CG 4.06Å; F78-F84 AromaticContact CD2-CZ 3.63Å; F78-F84 HydrophobicContact CD2-CZ 3.63Å; F78-F84 HydrophobicContact CE2-CD2 4.46Å; F78-F84 HydrophobicContact CE2-CE2 4.13Å; F78-F84 HydrophobicContact CE2-CZ 4.23Å; F78-F84 HydrophobicContact CG-CD1 4.43Å; F78-F84 HydrophobicContact CG-CE1 4.12Å; F78-F84 HydrophobicContact CG-CZ 4.42Å; F84-Q86 PolarHBondContact O-N 2.77Å; F84-G95 CarbonylContact O-C 3.55Å; F84-G95 VanDerWaalsContact O-CA 3.26Å; F84-G95 WeakPolarHBondContact O-CA 3.42Å; F84-T96 HydrophobicContact CB-CG2 4.2Å; F84-T96 PolarHBondContact N-O 2.92Å; F84-T96 PolarHBondContact O-N 2.87Å; F84-E99 HydrophobicContact CD2-CB 4.4Å; F84-E99 HydrophobicContact CE1-CG 4.49Å; F84-E99 HydrophobicContact CE2-CB 3.68Å; F84-E99 HydrophobicContact CE2-CG 3.91Å; F84-E99 HydrophobicContact CZ-CB 4.04Å; F84-E99 HydrophobicContact CZ-CG 3.71Å; F84-E99 WeakPolarHBondContact CZ-OE1 3.48Å; F84-T104 HydrophobicContact CB-CG2 3.75Å; F84-K201 HydrophobicContact CE1-CD 4.08Å
85L98.2Very high97.7Very high0 Ų034.1 Ų34.10%019%0.186CC..EExtended strand (participates in β ladder)trans-57.6138.2167.5-169.269.2000108.7L77 I93 T104 F106 L175 L177 F198L77-L85 HydrophobicContact CB-CB 4.07Å; L77-L85 HydrophobicContact CD1-CD2 3.91Å; L77-L85 PolarHBondContact O-N 3.03Å; L85-I93 HydrophobicContact CD1-CG2 3.76Å; L85-I93 HydrophobicContact CG-CG2 4.4Å; L85-T104 WeakPolarHBondContact O-CA 3.37Å; L85-F106 HydrophobicContact CB-CE2 4.01Å; L85-F106 HydrophobicContact CB-CZ 4.4Å; L85-F106 HydrophobicContact CD2-CE1 4.25Å; L85-F106 HydrophobicContact CD2-CE2 3.99Å; L85-F106 HydrophobicContact CD2-CZ 3.79Å; L85-F106 HydrophobicContact CG-CE2 3.94Å; L85-F106 HydrophobicContact CG-CZ 3.81Å; L85-F106 WeakPolarHBondContact O-CE2 3.44Å; L85-L175 HydrophobicContact CD2-CD2 4.39Å; L85-L177 HydrophobicContact CD1-CD1 4.45Å; L85-L177 HydrophobicContact CD1-CD2 4.16Å; L85-F198 HydrophobicContact CB-CE1 4.47Å
86Q97.8Very high97.7Very high14 Ų1435.5 Ų35.57%0.06520%0.195CC..EExtended strand (participates in β ladder)trans-132.8142.5179.4168.1163.2-14.900109.8F84 H88 I93 D94 T96 Y103 T104F84-Q86 PolarHBondContact O-N 2.77Å; Q86-H88 PolarHBondContact NE2-CE1 2.67Å; Q86-H88 PolarHBondContact NE2-ND1 3.29Å; Q86-H88 VanDerWaalsContact NE2-ND1 3.2Å; Q86-H88 PolarHBondContact NE2-NE2 3.42Å; Q86-I93 WeakPolarHBondContact O-CA 3.44Å; Q86-D94 WeakPolarHBondContact CB-OD1 3.41Å; Q86-D94 PolarHBondContact N-O 3.32Å; Q86-D94 PolarHBondContact O-N 2.92Å; Q86-D94 VanDerWaalsContact O-N 3.12Å; Q86-T96 HydrophobicContact CB-CG2 4.06Å; Q86-Y103 WeakPolarHBondContact CA-O 3.46Å; Q86-T104 HydrophobicContact CB-CG2 4.35Å
87M98.3Very high97.7Very high1 Ų140.4 Ų40.41%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-126.1115.9170.5-178.9-178.2-7500109.4T92 I93 Y103 F106 A123 L125 V127M87-T92 WeakPolarHBondContact CA-O 3.41Å; M87-I93 HydrophobicContact CE-CD1 3.87Å; M87-I93 HydrophobicContact CE-CG1 3.99Å; M87-I93 HydrophobicContact CG-CG1 4.35Å; M87-Y103 PolarHBondContact N-O 3.27Å; M87-F106 HydrophobicContact CB-CE1 3.86Å; M87-F106 HydrophobicContact CB-CZ 3.77Å; M87-F106 HydrophobicContact CE-CE1 4.06Å; M87-A123 HydrophobicContact CG-CB 3.9Å; M87-A123 HydrophobicContact SD-CB 3.8Å; M87-L125 HydrophobicContact SD-CB 3.85Å; M87-L125 VanDerWaalsContact SD-O 3.38Å; M87-V127 HydrophobicContact CE-CG2 3.46Å; M87-V127 VanDerWaalsContact CE-CG2 3.46Å
88H97.5Very high97.6Very high47 Ų4744.1 Ų44.122%0.21824%0.237CC..  trans-77159.3178-65.2-85.4000111.3Q86 D90 G91 T92 D94 A123Q86-H88 PolarHBondContact NE2-CE1 2.67Å; Q86-H88 PolarHBondContact NE2-ND1 3.29Å; Q86-H88 VanDerWaalsContact NE2-ND1 3.2Å; Q86-H88 PolarHBondContact NE2-NE2 3.42Å; H88-D90 WeakPolarHBondContact CB-OD1 3.47Å; H88-D90 PolarHBondContact O-N 3.01Å; H88-G91 PolarHBondContact O-N 2.95Å; H88-T92 PolarHBondContact CD2-O 3.12Å; H88-T92 PolarHBondContact N-O 3.41Å; H88-D94 IonicContact CD2-OD1 2.84Å; H88-D94 PolarHBondContact CD2-OD1 3.14Å; H88-D94 IonicContact CD2-OD2 3.07Å; H88-D94 IonicContact CE1-OD2 3.42Å; H88-D94 VanDerWaalsContact NE2-CG 3.28Å; H88-D94 IonicContact NE2-OD1 3.79Å; H88-D94 PolarHBondContact NE2-OD1 3.37Å; H88-D94 IonicContact NE2-OD2 3.12Å; H88-D94 PolarHBondContact NE2-OD2 3.01Å; H88-A123 WeakPolarHBondContact O-CB 3.39Å
89P96.6Very high97.3Very high82 Ų8245.3 Ų45.353%0.53224%0.244SC..THydrogen-bonded Turntrans-61.3-24.9178.8-2535.7000114.9G91 Y103P89-G91 PolarHBondContact O-N 2.87Å; P89-Y103 HydrophobicContact CG-CD1 4.29Å; P89-Y103 HydrophobicContact CG-CE1 3.57Å
90D96.2Very high97Very high115 Ų11551.8 Ų51.862%0.61528%0.278SS*.THydrogen-bonded Turntrans-76.3-4.417469.8-20.9000112.8H88 T92H88-D90 WeakPolarHBondContact CB-OD1 3.47Å; H88-D90 PolarHBondContact O-N 3.01Å; D90-T92 VanDerWaalsContact CG-OG1 3.27Å; D90-T92 VanDerWaalsContact OD1-CB 3.28Å; D90-T92 WeakPolarHBondContact OD1-CB 3.16Å; D90-T92 PolarHBondContact OD1-N 3.13Å; D90-T92 PolarHBondContact OD1-OG1 2.99Å; D90-T92 PolarHBondContact OD2-OG1 3Å
91G96.7Very high97Very high8 Ų848.8 Ų48.88%0.08227%0.265CS..SBendtrans86.73.9-177.900000114.6H88 P89 S137H88-G91 PolarHBondContact O-N 2.95Å; P89-G91 PolarHBondContact O-N 2.87Å; G91-S137 WeakPolarHBondContact CA-OG 3.38Å; G91-S137 WeakPolarHBondContact O-CB 3.48Å; G91-S137 PolarHBondContact O-OG 3.41Å
92T97.6Very high96.9Very high66 Ų6650.3 Ų50.341%0.40528%0.275SS..  trans-67.1135.4172.9-63.10000110.1M87 H88 D90M87-T92 WeakPolarHBondContact CA-O 3.41Å; H88-T92 PolarHBondContact CD2-O 3.12Å; H88-T92 PolarHBondContact N-O 3.41Å; D90-T92 VanDerWaalsContact CG-OG1 3.27Å; D90-T92 VanDerWaalsContact OD1-CB 3.28Å; D90-T92 WeakPolarHBondContact OD1-CB 3.16Å; D90-T92 PolarHBondContact OD1-N 3.13Å; D90-T92 PolarHBondContact OD1-OG1 2.99Å; D90-T92 PolarHBondContact OD2-OG1 3Å
93I98.2Very high96.9Very high14 Ų1453.3 Ų53.37%0.07228%0.277CS..EExtended strand (participates in β ladder)trans-117.8123.7179.7-55.8169.5000109.1L85 Q86 M87 V127 I183L85-I93 HydrophobicContact CD1-CG2 3.76Å; L85-I93 HydrophobicContact CG-CG2 4.4Å; Q86-I93 WeakPolarHBondContact O-CA 3.44Å; M87-I93 HydrophobicContact CE-CD1 3.87Å; M87-I93 HydrophobicContact CE-CG1 3.99Å; M87-I93 HydrophobicContact CG-CG1 4.35Å; I93-V127 HydrophobicContact CD1-CB 4.48Å; I93-V127 HydrophobicContact CD1-CG1 4.08Å; I93-V127 HydrophobicContact CD1-CG2 4.09Å; I93-I183 HydrophobicContact CG2-CD1 4.04Å; I93-I183 WeakPolarHBondContact O-CB 3.22Å
94D97.7Very high96.9Very high48 Ų4851.5 Ų51.526%0.25727%0.27SS..EExtended strand (participates in β ladder)trans-149.2-166.5179.163.3-1.2000110.7Q86 H88 G181Q86-D94 WeakPolarHBondContact CB-OD1 3.41Å; Q86-D94 PolarHBondContact N-O 3.32Å; Q86-D94 PolarHBondContact O-N 2.92Å; Q86-D94 VanDerWaalsContact O-N 3.12Å; H88-D94 IonicContact CD2-OD1 2.84Å; H88-D94 PolarHBondContact CD2-OD1 3.14Å; H88-D94 IonicContact CD2-OD2 3.07Å; H88-D94 IonicContact CE1-OD2 3.42Å; H88-D94 VanDerWaalsContact NE2-CG 3.28Å; H88-D94 IonicContact NE2-OD1 3.79Å; H88-D94 PolarHBondContact NE2-OD1 3.37Å; H88-D94 IonicContact NE2-OD2 3.12Å; H88-D94 PolarHBondContact NE2-OD2 3.01Å; D94-G181 CarbonylContact C-O 3.57Å
95G98Very high96.8Very high13 Ų1352.3 Ų52.313%0.13428%0.275CS..EExtended strand (participates in β ladder)trans-123.3133.1-179.200000110.7Y83 F84 G181Y83-G95 WeakPolarHBondContact CD1-O 3.3Å; F84-G95 CarbonylContact O-C 3.55Å; F84-G95 VanDerWaalsContact O-CA 3.26Å; F84-G95 WeakPolarHBondContact O-CA 3.42Å; G95-G181 VanDerWaalsContact CA-O 3.27Å; G95-G181 WeakPolarHBondContact CA-O 3.21Å; G95-G181 PolarHBondContact N-O 3.45Å
96T97.9Very high96.9Very high29 Ų2952.3 Ų52.318%0.17828%0.275CS..EExtended strand (participates in β ladder)trans-119.2156.3176.2-173.10000111.5Y83 F84 Q86 D98 T104Y83-T96 CarbonylContact C-O 3.49Å; Y83-T96 WeakPolarHBondContact CA-O 3.29Å; F84-T96 HydrophobicContact CB-CG2 4.2Å; F84-T96 PolarHBondContact N-O 2.92Å; F84-T96 PolarHBondContact O-N 2.87Å; Q86-T96 HydrophobicContact CB-CG2 4.06Å; T96-D98 PolarHBondContact OG1-N 3.1Å; T96-D98 VanDerWaalsContact OG1-N 3.14Å; T96-T104 HydrophobicContact CG2-CG2 3.38Å
97K97.2Very high96.9Very high153 Ų15352.6 Ų52.667%0.66528%0.277SS*.SBendtrans-92.6-9.2169.8-65.8-177.5178.41780112.5Y83 E99Y83-K97 HydrophobicContact CD1-CG 3.94Å; Y83-K97 HydrophobicContact CE1-CD 4.42Å; Y83-K97 HydrophobicContact CE1-CG 3.95Å; K97-E99 PolarHBondContact O-N 2.86Å
98D96.1Very high96.8Very high78 Ų7853.2 Ų53.242%0.41728%0.28SS..  trans-78.3108.5-179.7-177.416.1000111.2T96 N100 S101T96-D98 PolarHBondContact OG1-N 3.1Å; T96-D98 VanDerWaalsContact OG1-N 3.14Å; D98-N100 VanDerWaalsContact C-N 3.26Å; D98-N100 PolarHBondContact O-N 2.82Å; D98-N100 WeakPolarHBondContact OD1-CB 3.49Å; D98-N100 PolarHBondContact OD1-N 3.35Å; D98-S101 WeakPolarHBondContact OD2-CB 3.47Å; D98-S101 PolarHBondContact OD2-N 3.38Å
99E90.8Very high96.8Very high89 Ų8951.2 Ų51.242%0.41627%0.271SS..THydrogen-bonded Turntrans-72.1-21.2177-172.2160.5-146.600112.5R76 F84 K97 K201R76-E99 PolarHBondContact NE-O 3.13Å; F84-E99 HydrophobicContact CD2-CB 4.4Å; F84-E99 HydrophobicContact CE1-CG 4.49Å; F84-E99 HydrophobicContact CE2-CB 3.68Å; F84-E99 HydrophobicContact CE2-CG 3.91Å; F84-E99 HydrophobicContact CZ-CB 4.04Å; F84-E99 HydrophobicContact CZ-CG 3.71Å; F84-E99 WeakPolarHBondContact CZ-OE1 3.48Å; K97-E99 PolarHBondContact O-N 2.86Å; E99-K201 IonicContact OE1-NZ 3.57Å; E99-K201 PolarHBondContact OE1-NZ 3.21Å
100N93.4Very high96.8Very high135 Ų13549.6 Ų49.672%0.72226%0.261SS*.THydrogen-bonded Turntrans-89.3-7.4-177.6-62.6-25.3000112.8D98 D102D98-N100 VanDerWaalsContact C-N 3.26Å; D98-N100 PolarHBondContact O-N 2.82Å; D98-N100 WeakPolarHBondContact OD1-CB 3.49Å; D98-N100 PolarHBondContact OD1-N 3.35Å; N100-D102 PolarHBondContact O-N 3.27Å
101S95.6Very high96.8Very high13 Ų1345.8 Ų45.89%0.09124%0.241CC..  trans-65.5120177.9172.60000110.8D98 Y103 T104D98-S101 WeakPolarHBondContact OD2-CB 3.47Å; D98-S101 PolarHBondContact OD2-N 3.38Å; S101-Y103 PolarHBondContact O-N 2.7Å; S101-Y103 PolarHBondContact OG-N 3.03Å; S101-T104 WeakPolarHBondContact O-CB 3.48Å; S101-T104 PolarHBondContact O-N 2.66Å; S101-T104 VanDerWaalsContact O-N 3.11Å; S101-T104 PolarHBondContact O-OG1 3.35Å
102D96.2Very high96.7Very high75 Ų7547.4 Ų47.440%0.40126%0.258SS..G310 helixtrans-62.3-21.1174.3-83.4-7.4000112.9N100 T104 L105 K122N100-D102 PolarHBondContact O-N 3.27Å; D102-T104 PolarHBondContact O-N 3.02Å; D102-L105 WeakPolarHBondContact O-CB 3.22Å; D102-L105 WeakPolarHBondContact O-CG 3.15Å; D102-L105 PolarHBondContact O-N 3.23Å; D102-K122 HydrophobicContact CB-CD 4.36Å; D102-K122 HydrophobicContact CB-CG 4.05Å; D102-K122 VanDerWaalsContact CG-CE 3.47Å; D102-K122 WeakPolarHBondContact OD2-CE 3.43Å; D102-K122 IonicContact OD2-NZ 3.24Å; D102-K122 PolarHBondContact OD2-NZ 3.05Å
103Y97.9Very high96.6Very high94 Ų9452.1 Ų52.137%0.36928%0.28SS..G310 helixtrans-72.7-6.9177.5-55.6-57.7000112.9Q86 M87 P89 S101 K122Q86-Y103 WeakPolarHBondContact CA-O 3.46Å; M87-Y103 PolarHBondContact N-O 3.27Å; P89-Y103 HydrophobicContact CG-CD1 4.29Å; P89-Y103 HydrophobicContact CG-CE1 3.57Å; S101-Y103 PolarHBondContact O-N 2.7Å; S101-Y103 PolarHBondContact OG-N 3.03Å; Y103-K122 HydrophobicContact CD1-CB 3.95Å; Y103-K122 HydrophobicContact CD1-CG 4.2Å; Y103-K122 HydrophobicContact CE1-CB 4.21Å; Y103-K122 HydrophobicContact CE1-CG 4.45Å
104T97.9Very high96.6Very high0 Ų059.5 Ų59.50%031%0.307CS..G310 helixtrans-88.3-2.7174.466.20000113.6R76 F84 L85 Q86 T96 S101 D102 F106R76-T104 WeakPolarHBondContact CD-OG1 3.36Å; R76-T104 PolarHBondContact NE-OG1 3.35Å; R76-T104 VanDerWaalsContact NE-OG1 3.09Å; F84-T104 HydrophobicContact CB-CG2 3.75Å; L85-T104 WeakPolarHBondContact O-CA 3.37Å; Q86-T104 HydrophobicContact CB-CG2 4.35Å; T96-T104 HydrophobicContact CG2-CG2 3.38Å; S101-T104 WeakPolarHBondContact O-CB 3.48Å; S101-T104 PolarHBondContact O-N 2.66Å; S101-T104 VanDerWaalsContact O-N 3.11Å; S101-T104 PolarHBondContact O-OG1 3.35Å; D102-T104 PolarHBondContact O-N 3.02Å; T104-F106 VanDerWaalsContact O-CD2 3.27Å; T104-F106 WeakPolarHBondContact O-CD2 3.35Å
105L98.1Very high96.6Very high24 Ų2458.5 Ų58.513%0.12630%0.302CS..  trans-83.2124.1-179.1-63.2174.6000110.7V74 R76 D102 V121 I203V74-L105 HydrophobicContact CG1-CD2 4.28Å; R76-L105 HydrophobicContact CG-CD2 4.21Å; D102-L105 WeakPolarHBondContact O-CB 3.22Å; D102-L105 WeakPolarHBondContact O-CG 3.15Å; D102-L105 PolarHBondContact O-N 3.23Å; L105-V121 HydrophobicContact CB-CB 3.85Å; L105-V121 HydrophobicContact CB-CG2 3.75Å; L105-V121 WeakPolarHBondContact O-CG2 3.42Å; L105-V121 PolarHBondContact O-N 2.91Å; L105-I203 HydrophobicContact CD2-CD1 3.24Å
106F98.3Very high96.6Very high0 Ų058.1 Ų58.10%030%0.297CS..EExtended strand (participates in β ladder)trans-124.4137.4176.4-68.8-89.9000112.1V74 T75 L85 M87 T104 I118 Q119 V127V74-F106 WeakPolarHBondContact CA-O 3.44Å; T75-F106 PolarHBondContact N-O 3.22Å; T75-F106 PolarHBondContact O-N 3.2Å; L85-F106 HydrophobicContact CB-CE2 4.01Å; L85-F106 HydrophobicContact CB-CZ 4.4Å; L85-F106 HydrophobicContact CD2-CE1 4.25Å; L85-F106 HydrophobicContact CD2-CE2 3.99Å; L85-F106 HydrophobicContact CD2-CZ 3.79Å; L85-F106 HydrophobicContact CG-CE2 3.94Å; L85-F106 HydrophobicContact CG-CZ 3.81Å; L85-F106 WeakPolarHBondContact O-CE2 3.44Å; M87-F106 HydrophobicContact CB-CE1 3.86Å; M87-F106 HydrophobicContact CB-CZ 3.77Å; M87-F106 HydrophobicContact CE-CE1 4.06Å; T104-F106 VanDerWaalsContact O-CD2 3.27Å; T104-F106 WeakPolarHBondContact O-CD2 3.35Å; F106-I118 HydrophobicContact CB-CG2 4.19Å; F106-I118 HydrophobicContact CD1-CG2 3.53Å; F106-I118 HydrophobicContact CE1-CG2 4.21Å; F106-I118 HydrophobicContact CG-CG2 4.05Å; F106-Q119 CarbonylContact C-O 3.46Å; F106-Q119 VanDerWaalsContact CA-O 3.22Å; F106-Q119 WeakPolarHBondContact CA-O 3.34Å; F106-V127 HydrophobicContact CE1-CG2 4.26Å
107N97.7Very high96.6Very high20 Ų2056.7 Ų56.711%0.10729%0.289CS..EExtended strand (participates in β ladder)trans-77.8117.1162.8-57.9-34.9000108.3I109 Q119 V121 Y208N107-I109 HydrophobicContact CB-CD1 4.24Å; N107-I109 HydrophobicContact CB-CG1 4.04Å; N107-Q119 HydrophobicContact CB-CB 4.2Å; N107-Q119 PolarHBondContact N-O 2.85Å; N107-Q119 PolarHBondContact ND2-OE1 2.84Å; N107-Q119 VanDerWaalsContact ND2-OE1 3.1Å; N107-Q119 PolarHBondContact O-N 2.91Å; N107-V121 VanDerWaalsContact OD1-CG2 3.3Å; N107-V121 WeakPolarHBondContact OD1-CG2 3.46Å; N107-Y208 HydrophobicContact CB-CE1 3.72Å; N107-Y208 WeakPolarHBondContact CB-OH 3.28Å; N107-Y208 PolarHBondContact OD1-OH 2.87Å
108L97.7Very high96.7Very high15 Ų1549.4 Ų49.48%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-9999.9172.4-153.474.4000108.5G72 I73 T75 V116 I118 Y159G72-L108 WeakPolarHBondContact CA-O 3.21Å; I73-L108 HydrophobicContact CD1-CB 4.47Å; I73-L108 HydrophobicContact CD1-CD2 4.24Å; I73-L108 HydrophobicContact CG1-CB 3.79Å; I73-L108 HydrophobicContact CG1-CD2 4.4Å; I73-L108 PolarHBondContact N-O 3.15Å; I73-L108 PolarHBondContact O-N 2.91Å; T75-L108 HydrophobicContact CG2-CB 3.95Å; T75-L108 HydrophobicContact CG2-CD2 4.4Å; L108-V116 HydrophobicContact CD1-CB 4.37Å; L108-V116 HydrophobicContact CD1-CG2 4.16Å; L108-V116 HydrophobicContact CG-CB 4.29Å; L108-V116 HydrophobicContact CG-CG1 4.27Å; L108-I118 HydrophobicContact CD1-CG1 3.82Å; L108-Y159 HydrophobicContact CD1-CE1 4.4Å
109I96.9Very high96.7Very high4 Ų447.1 Ų47.12%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-103.8118.6-169.9-51.2176000109L70 N107 V111 V116 A117 Y126 Y208L70-I109 HydrophobicContact CB-CG2 4.33Å; L70-I109 HydrophobicContact CD1-CG2 3.87Å; N107-I109 HydrophobicContact CB-CD1 4.24Å; N107-I109 HydrophobicContact CB-CG1 4.04Å; I109-V111 HydrophobicContact CG2-CG1 4.12Å; I109-V111 PolarHBondContact O-N 2.8Å; I109-V116 CarbonylContact O-C 3.5Å; I109-V116 VanDerWaalsContact O-CA 3.24Å; I109-V116 WeakPolarHBondContact O-CA 3.34Å; I109-A117 HydrophobicContact CB-CB 4.35Å; I109-A117 PolarHBondContact N-O 3.19Å; I109-A117 PolarHBondContact O-N 2.9Å; I109-Y126 HydrophobicContact CD1-CE1 4.39Å; I109-Y208 HydrophobicContact CB-CD2 4.44Å; I109-Y208 HydrophobicContact CD1-CD1 4.01Å; I109-Y208 HydrophobicContact CD1-CD2 4.5Å; I109-Y208 HydrophobicContact CD1-CE1 4.5Å; I109-Y208 HydrophobicContact CD1-CG 4Å; I109-Y208 HydrophobicContact CG1-CD1 4.15Å; I109-Y208 HydrophobicContact CG1-CD2 3.82Å; I109-Y208 HydrophobicContact CG1-CE1 4.43Å; I109-Y208 HydrophobicContact CG1-CE2 4.11Å; I109-Y208 HydrophobicContact CG1-CG 3.83Å; I109-Y208 HydrophobicContact CG2-CD2 4.31Å; I109-Y208 HydrophobicContact CG2-CG 4.31Å
110P96.9Very high97.1Very high49 Ų4943 Ų4332%0.31823%0.225SC..EExtended strand (participates in β ladder)trans-75.4109177.929.7-33000110.4L70 K71L70-P110 HydrophobicContact CB-CG 4.5Å; L70-P110 WeakPolarHBondContact CD1-O 3.31Å; K71-P110 VanDerWaalsContact O-CG 3.26Å; K71-P110 WeakPolarHBondContact O-CG 3.44Å
111V96Very high97.2Very high34 Ų3438.9 Ų38.921%0.20621%0.205CC..EExtended strand (participates in β ladder)trans-107.29.5-178.1-62.10000112.7L70 I109 V115 A117 F141 K146 P211L70-V111 HydrophobicContact CD1-CG1 4.5Å; I109-V111 HydrophobicContact CG2-CG1 4.12Å; I109-V111 PolarHBondContact O-N 2.8Å; V111-V115 HydrophobicContact CG2-CB 4.41Å; V111-V115 HydrophobicContact CG2-CG1 3.82Å; V111-V115 PolarHBondContact N-O 3.15Å; V111-A117 HydrophobicContact CG1-CB 3.9Å; V111-A117 HydrophobicContact CG2-CB 4.41Å; V111-F141 HydrophobicContact CB-CZ 4.17Å; V111-F141 HydrophobicContact CG1-CE2 4.44Å; V111-F141 HydrophobicContact CG1-CZ 3.94Å; V111-F141 HydrophobicContact CG2-CZ 4.14Å; V111-K146 HydrophobicContact CG2-CG 4.18Å; V111-P211 HydrophobicContact CG1-CG 3.96Å
112G95.1Very high97.3Very high42 Ų4243.5 Ų43.543%0.43322%0.223SC..EExtended strand (participates in β ladder)trans172.6-179.217700000112.4R114 V115G112-R114 PolarHBondContact O-N 3.47Å; G112-V115 PolarHBondContact N-O 2.92Å; G112-V115 PolarHBondContact O-N 2.91Å; G112-V115 VanDerWaalsContact O-N 3.15Å
113L95.4Very high97.3Very high165 Ų16540.9 Ų40.986%0.86421%0.212SC*.THydrogen-bonded Turntrans-65104.8178.4-179.965.7000110.6V115L113-V115 PolarHBondContact O-N 2.98Å
114R97.1Very high97.3Very high170 Ų17039.9 Ų39.964%0.64222%0.218SC*.THydrogen-bonded Turntrans58.430.7-174.1-53.5-178.9173.7-179.7-3.1112.8G112 K148 E149G112-R114 PolarHBondContact O-N 3.47Å; R114-K148 WeakPolarHBondContact O-CA 3.15Å; R114-E149 HydrophobicContact CB-CG 4.2Å; R114-E149 PolarHBondContact O-N 3.28Å
115V98.2Very high97.3Very high27 Ų2741.4 Ų41.416%0.16423%0.227CC..EExtended strand (participates in β ladder)trans-122.7125.6175.3-175.80000107.7V111 G112 L113 K146 F147 T162V111-V115 HydrophobicContact CG2-CB 4.41Å; V111-V115 HydrophobicContact CG2-CG1 3.82Å; V111-V115 PolarHBondContact N-O 3.15Å; G112-V115 PolarHBondContact N-O 2.92Å; G112-V115 PolarHBondContact O-N 2.91Å; G112-V115 VanDerWaalsContact O-N 3.15Å; L113-V115 PolarHBondContact O-N 2.98Å; V115-K146 HydrophobicContact CG1-CB 3.77Å; V115-K146 HydrophobicContact CG1-CD 4.48Å; V115-K146 HydrophobicContact CG1-CG 4.26Å; V115-F147 CarbonylContact C-O 3.53Å; V115-F147 VanDerWaalsContact CA-O 3.3Å; V115-F147 WeakPolarHBondContact CA-O 3.23Å; V115-T162 HydrophobicContact CG1-CG2 3.94Å; V115-T162 HydrophobicContact CG2-CG2 4.23Å
116V98.1Very high97.3Very high4 Ų441.6 Ų41.62%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-120.1147.5-179.1-63.50000110.3L108 I109 I118 F147 E149 Y159L108-V116 HydrophobicContact CD1-CB 4.37Å; L108-V116 HydrophobicContact CD1-CG2 4.16Å; L108-V116 HydrophobicContact CG-CB 4.29Å; L108-V116 HydrophobicContact CG-CG1 4.27Å; I109-V116 CarbonylContact O-C 3.5Å; I109-V116 VanDerWaalsContact O-CA 3.24Å; I109-V116 WeakPolarHBondContact O-CA 3.34Å; V116-I118 HydrophobicContact CG2-CG1 4.29Å; V116-F147 HydrophobicContact CG2-CB 4.37Å; V116-F147 PolarHBondContact N-O 3.33Å; V116-F147 PolarHBondContact O-N 3.41Å; V116-E149 HydrophobicContact CG1-CG 4.39Å; V116-E149 WeakPolarHBondContact CG1-OE2 3.2Å; V116-E149 HydrophobicContact CG2-CB 4.41Å; V116-Y159 HydrophobicContact CG2-CD1 3.91Å; V116-Y159 HydrophobicContact CG2-CE1 3.85Å
117A98.1Very high97.3Very high0 Ų041.6 Ų41.60%023%0.226CC..EExtended strand (participates in β ladder)trans-95.8138.615800000107.9I109 V111 Y126 F141I109-A117 HydrophobicContact CB-CB 4.35Å; I109-A117 PolarHBondContact N-O 3.19Å; I109-A117 PolarHBondContact O-N 2.9Å; V111-A117 HydrophobicContact CG1-CB 3.9Å; V111-A117 HydrophobicContact CG2-CB 4.41Å; A117-Y126 HydrophobicContact CB-CD1 4.13Å; A117-Y126 HydrophobicContact CB-CE1 4.16Å; A117-F141 HydrophobicContact CB-CD2 4.29Å; A117-F141 HydrophobicContact CB-CE2 3.63Å; A117-F141 HydrophobicContact CB-CZ 4.43Å
118I98.3Very high97.3Very high0 Ų040.6 Ų40.60%022%0.221CC..EExtended strand (participates in β ladder)trans-112.1117.5178.5-54.4172.3000106.2L77 F106 L108 V116 Y126 V127 F147 Y159L77-I118 HydrophobicContact CD1-CG2 4.41Å; F106-I118 HydrophobicContact CB-CG2 4.19Å; F106-I118 HydrophobicContact CD1-CG2 3.53Å; F106-I118 HydrophobicContact CE1-CG2 4.21Å; F106-I118 HydrophobicContact CG-CG2 4.05Å; L108-I118 HydrophobicContact CD1-CG1 3.82Å; V116-I118 HydrophobicContact CG2-CG1 4.29Å; I118-Y126 CarbonylContact O-C 3.56Å; I118-Y126 WeakPolarHBondContact O-CA 3.43Å; I118-V127 HydrophobicContact CB-CB 4.21Å; I118-V127 HydrophobicContact CB-CG2 4.07Å; I118-V127 HydrophobicContact CG2-CG2 3.84Å; I118-V127 PolarHBondContact O-N 3.17Å; I118-F147 HydrophobicContact CD1-CD2 4.11Å; I118-F147 HydrophobicContact CD1-CG 4.38Å; I118-F147 HydrophobicContact CG1-CD2 4.41Å; I118-Y159 HydrophobicContact CD1-CD1 4.1Å; I118-Y159 HydrophobicContact CD1-CE1 4.47Å; I118-Y159 HydrophobicContact CD1-CG 4.11Å
119Q97.9Very high97.4Very high29 Ų2939.9 Ų39.914%0.13622%0.217CC..EExtended strand (participates in β ladder)trans-124.7130.7-179.1-172.2-166.927.800110.1F106 N107 V121 S124 L125 Y126F106-Q119 CarbonylContact C-O 3.46Å; F106-Q119 VanDerWaalsContact CA-O 3.22Å; F106-Q119 WeakPolarHBondContact CA-O 3.34Å; N107-Q119 HydrophobicContact CB-CB 4.2Å; N107-Q119 PolarHBondContact N-O 2.85Å; N107-Q119 PolarHBondContact ND2-OE1 2.84Å; N107-Q119 VanDerWaalsContact ND2-OE1 3.1Å; N107-Q119 PolarHBondContact O-N 2.91Å; Q119-V121 PolarHBondContact O-N 3.1Å; Q119-S124 PolarHBondContact NE2-O 3.1Å; Q119-L125 CarbonylContact C-O 3.53Å; Q119-L125 VanDerWaalsContact CA-O 3.3Å; Q119-L125 WeakPolarHBondContact CA-O 2.71Å; Q119-L125 WeakPolarHBondContact CG-O 3.44Å; Q119-Y126 HydrophobicContact CB-CD1 3.75Å; Q119-Y126 HydrophobicContact CB-CE1 3.83Å; Q119-Y126 HydrophobicContact CB-CG 4.48Å; Q119-Y126 HydrophobicContact CG-CD1 4.07Å; Q119-Y126 HydrophobicContact CG-CE1 4.05Å; Q119-Y126 HydrophobicContact CG-CG 4.41Å
120G98Very high97.4Very high2 Ų241.5 Ų41.52%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-69.6128.817400000110.6S124 L125G120-S124 VanDerWaalsContact O-CA 3.26Å; G120-S124 WeakPolarHBondContact O-CA 3.47Å; G120-S124 PolarHBondContact O-N 3.4Å; G120-L125 PolarHBondContact N-O 3.38Å
121V96.9Very high97.4Very high50 Ų5041 Ų4130%0.30323%0.23SC..THydrogen-bonded Turntrans-63.3-48-176.1172.60000111.2V74 L105 N107 Q119V74-V121 HydrophobicContact CG1-CG2 4.22Å; L105-V121 HydrophobicContact CB-CB 3.85Å; L105-V121 HydrophobicContact CB-CG2 3.75Å; L105-V121 WeakPolarHBondContact O-CG2 3.42Å; L105-V121 PolarHBondContact O-N 2.91Å; N107-V121 VanDerWaalsContact OD1-CG2 3.3Å; N107-V121 WeakPolarHBondContact OD1-CG2 3.46Å; Q119-V121 PolarHBondContact O-N 3.1Å
122K96.6Very high97.4Very high110 Ų11045.4 Ų45.448%0.47825%0.248SC..THydrogen-bonded Turntrans-75-44.8-177.6-70.3-66.6-168.6175.60112.9D102 Y103 S124D102-K122 HydrophobicContact CB-CD 4.36Å; D102-K122 HydrophobicContact CB-CG 4.05Å; D102-K122 VanDerWaalsContact CG-CE 3.47Å; D102-K122 WeakPolarHBondContact OD2-CE 3.43Å; D102-K122 IonicContact OD2-NZ 3.24Å; D102-K122 PolarHBondContact OD2-NZ 3.05Å; Y103-K122 HydrophobicContact CD1-CB 3.95Å; Y103-K122 HydrophobicContact CD1-CG 4.2Å; Y103-K122 HydrophobicContact CE1-CB 4.21Å; Y103-K122 HydrophobicContact CE1-CG 4.45Å; K122-S124 VanDerWaalsContact C-N 3.3Å
123A96.8Very high97.5Very high19 Ų1943.4 Ų43.416%0.15723%0.227CC..THydrogen-bonded Turntrans-74-22.8-179.500000112.6M87 H88 L125M87-A123 HydrophobicContact CG-CB 3.9Å; M87-A123 HydrophobicContact SD-CB 3.8Å; H88-A123 WeakPolarHBondContact O-CB 3.39Å; A123-L125 HydrophobicContact CB-CB 4.38Å; A123-L125 HydrophobicContact CB-CD1 4.24Å; A123-L125 HydrophobicContact CB-CG 4.21Å; A123-L125 PolarHBondContact O-N 3.13Å; A123-L125 VanDerWaalsContact O-N 3.14Å
124S96.6Very high97.6Very high73 Ų7341 Ų4151%0.5121%0.207SC..  trans58.316.5-171.6-59.30000114.6Q119 G120 K122Q119-S124 PolarHBondContact NE2-O 3.1Å; G120-S124 VanDerWaalsContact O-CA 3.26Å; G120-S124 WeakPolarHBondContact O-CA 3.47Å; G120-S124 PolarHBondContact O-N 3.4Å; K122-S124 VanDerWaalsContact C-N 3.3Å
125L98.2Very high97.7Very high33 Ų3334 Ų3417%0.17318%0.182CC..PPolyproline II helixtrans-98.5144.4178.9-58.8171.1000111M87 Q119 G120 A123 D139M87-L125 HydrophobicContact SD-CB 3.85Å; M87-L125 VanDerWaalsContact SD-O 3.38Å; Q119-L125 CarbonylContact C-O 3.53Å; Q119-L125 VanDerWaalsContact CA-O 3.3Å; Q119-L125 WeakPolarHBondContact CA-O 2.71Å; Q119-L125 WeakPolarHBondContact CG-O 3.44Å; G120-L125 PolarHBondContact N-O 3.38Å; A123-L125 HydrophobicContact CB-CB 4.38Å; A123-L125 HydrophobicContact CB-CD1 4.24Å; A123-L125 HydrophobicContact CB-CG 4.21Å; A123-L125 PolarHBondContact O-N 3.13Å; A123-L125 VanDerWaalsContact O-N 3.14Å; L125-D139 HydrophobicContact CD2-CB 3.78Å
126Y98.3Very high97.6Very high27 Ų2736.3 Ų36.311%0.10619%0.189CC..EExtended strand (participates in β ladder)trans-80.8142.2170.6-65.3-80.3000110.8I109 A117 I118 Q119 S137 S138 F141I109-Y126 HydrophobicContact CD1-CE1 4.39Å; A117-Y126 HydrophobicContact CB-CD1 4.13Å; A117-Y126 HydrophobicContact CB-CE1 4.16Å; I118-Y126 CarbonylContact O-C 3.56Å; I118-Y126 WeakPolarHBondContact O-CA 3.43Å; Q119-Y126 HydrophobicContact CB-CD1 3.75Å; Q119-Y126 HydrophobicContact CB-CE1 3.83Å; Q119-Y126 HydrophobicContact CB-CG 4.48Å; Q119-Y126 HydrophobicContact CG-CD1 4.07Å; Q119-Y126 HydrophobicContact CG-CE1 4.05Å; Q119-Y126 HydrophobicContact CG-CG 4.41Å; Y126-S137 CarbonylContact O-C 3.45Å; Y126-S137 VanDerWaalsContact O-CA 3.24Å; Y126-S137 WeakPolarHBondContact O-CA 3.24Å; Y126-S138 PolarHBondContact N-O 2.88Å; Y126-S138 PolarHBondContact O-N 2.96Å; Y126-F141 HydrophobicContact CD1-CD2 4.21Å; Y126-F141 HydrophobicContact CD2-CB 4.39Å; Y126-F141 HydrophobicContact CE1-CD2 4.16Å; Y126-F141 HydrophobicContact CE2-CB 4.04Å; Y126-F141 HydrophobicContact CG-CD2 4.48Å
127V98.5Very high97.6Very high0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-71.9135.1162.2-175.40000108M87 I93 F106 I118 L135 C145 F147 L175M87-V127 HydrophobicContact CE-CG2 3.46Å; M87-V127 VanDerWaalsContact CE-CG2 3.46Å; I93-V127 HydrophobicContact CD1-CB 4.48Å; I93-V127 HydrophobicContact CD1-CG1 4.08Å; I93-V127 HydrophobicContact CD1-CG2 4.09Å; F106-V127 HydrophobicContact CE1-CG2 4.26Å; I118-V127 HydrophobicContact CB-CB 4.21Å; I118-V127 HydrophobicContact CB-CG2 4.07Å; I118-V127 HydrophobicContact CG2-CG2 3.84Å; I118-V127 PolarHBondContact O-N 3.17Å; V127-L135 HydrophobicContact CG1-CD2 4.01Å; V127-C145 WeakPolarHBondContact O-CA 2.97Å; V127-F147 HydrophobicContact CB-CE2 4.13Å; V127-F147 HydrophobicContact CG1-CE2 3.92Å; V127-F147 HydrophobicContact CG1-CZ 3.91Å; V127-F147 WeakPolarHBondContact O-CE2 3.49Å; V127-L175 HydrophobicContact CG1-CD1 3.79Å
128A98.2Very high97.6Very high0 Ų038.3 Ų38.30%020%0.203CC..EExtended strand (participates in β ladder)trans-137.7154.1176.500000110.8L135 Y136 E144A128-L135 WeakPolarHBondContact O-CA 3.38Å; A128-Y136 HydrophobicContact CB-CD1 3.97Å; A128-Y136 HydrophobicContact CB-CD2 4.36Å; A128-Y136 HydrophobicContact CB-CE1 3.45Å; A128-Y136 VanDerWaalsContact CB-CE1 3.45Å; A128-Y136 HydrophobicContact CB-CE2 3.88Å; A128-Y136 HydrophobicContact CB-CG 4.39Å; A128-Y136 PolarHBondContact N-O 3.2Å; A128-Y136 WeakPolarHBondContact O-CD1 3.46Å; A128-Y136 PolarHBondContact O-N 2.92Å; A128-Y136 VanDerWaalsContact O-O 3.14Å; A128-E144 WeakPolarHBondContact CA-O 2.92Å; A128-E144 HydrophobicContact CB-CB 4.18Å
129M98.5Very high97.5Very high0 Ų044.2 Ų44.20%024%0.235CC..EExtended strand (participates in β ladder)trans-122.7122.7173.9-176.2-177.4-6600109.8Y134 L135 E144 F147 Y164 W173M129-Y134 WeakPolarHBondContact CA-O 3.28Å; M129-L135 HydrophobicContact CB-CD2 3.95Å; M129-L135 HydrophobicContact CE-CD2 3.86Å; M129-L135 HydrophobicContact CE-CG 4.17Å; M129-L135 HydrophobicContact CG-CD2 4.43Å; M129-E144 PolarHBondContact N-O 2.82Å; M129-E144 VanDerWaalsContact N-O 3.1Å; M129-E144 WeakPolarHBondContact O-CB 3.49Å; M129-F147 HydrophobicContact CB-CE1 4.28Å; M129-F147 HydrophobicContact CB-CZ 4.23Å; M129-F147 HydrophobicContact CE-CE1 4.27Å; M129-Y164 WeakPolarHBondContact O-CD2 3.3Å; M129-Y164 WeakPolarHBondContact O-CE2 3.24Å; M129-W173 HydrophobicContact CE-CB 4.44Å; M129-W173 HydrophobicContact SD-CB 3.7Å; M129-W173 HydrophobicContact SD-CE3 4.21Å
130N96.8Very high97.4Very high38 Ų3845.1 Ų45.120%0.20324%0.242CC..  trans-81.9170.6-17975.210.5000113.1E132 G133 Y134 Y136 E144 Y164N130-E132 PolarHBondContact O-N 3.46Å; N130-E132 VanDerWaalsContact O-N 3.1Å; N130-E132 WeakPolarHBondContact OD1-CA 3.5Å; N130-E132 WeakPolarHBondContact OD1-CB 3.19Å; N130-E132 PolarHBondContact OD1-N 2.91Å; N130-G133 WeakPolarHBondContact O-CA 3.44Å; N130-G133 PolarHBondContact O-N 2.95Å; N130-G133 PolarHBondContact OD1-N 2.78Å; N130-Y134 PolarHBondContact N-O 3.39Å; N130-Y134 PolarHBondContact OD1-N 2.85Å; N130-Y134 PolarHBondContact OD1-O 2.87Å; N130-Y136 HydrophobicContact CB-CD1 4.11Å; N130-Y136 HydrophobicContact CB-CE1 3.82Å; N130-E144 WeakPolarHBondContact CA-OE1 3.28Å; N130-Y164 WeakPolarHBondContact O-CD2 3.47Å
131G96.8Very high97.3Very high39 Ų3945.5 Ų45.540%0.40224%0.243SC..THydrogen-bonded Turntrans-62.1-13.1178.100000116.1Y164 W173G131-Y164 VanDerWaalsContact CA-CE1 3.45Å; G131-Y164 VanDerWaalsContact CA-CZ 3.47Å; G131-W173 WeakPolarHBondContact O-CZ3 3.47Å
132E96.7Very high97.3Very high125 Ų12543.9 Ų43.958%0.58423%0.233SC*.THydrogen-bonded Turntrans-90-12.3172.3-63178-177.900112.2N130 Y134 K185N130-E132 PolarHBondContact O-N 3.46Å; N130-E132 VanDerWaalsContact O-N 3.1Å; N130-E132 WeakPolarHBondContact OD1-CA 3.5Å; N130-E132 WeakPolarHBondContact OD1-CB 3.19Å; N130-E132 PolarHBondContact OD1-N 2.91Å; E132-Y134 HydrophobicContact CB-CD2 3.7Å; E132-Y134 HydrophobicContact CB-CE2 3.9Å; E132-Y134 WeakPolarHBondContact OE2-CD2 3.37Å; E132-Y134 VanDerWaalsContact OE2-CE2 3.25Å; E132-Y134 WeakPolarHBondContact OE2-CE2 3.42Å; E132-K185 WeakPolarHBondContact O-CE 3.26Å; E132-K185 PolarHBondContact O-NZ 2.49Å
133G97.3Very high97.4Very high0 Ų040 Ų400%022%0.219CC..SBendtrans92.49.6-178.700000113.7N130 W173 K185 G186N130-G133 WeakPolarHBondContact O-CA 3.44Å; N130-G133 PolarHBondContact O-N 2.95Å; N130-G133 PolarHBondContact OD1-N 2.78Å; G133-W173 VanDerWaalsContact CA-CZ3 3.47Å; G133-W173 VanDerWaalsContact N-CZ3 3.32Å; G133-K185 CarbonylContact O-C 3.59Å; G133-K185 WeakPolarHBondContact O-CA 3.3Å; G133-K185 WeakPolarHBondContact O-CG 3.36Å; G133-G186 PolarHBondContact O-N 3.31Å
134Y98Very high97.4Very high115 Ų11539.9 Ų39.945%0.45122%0.216SC..  trans-78.9136.5172-63.5-73000110.2M129 N130 E132 K185M129-Y134 WeakPolarHBondContact CA-O 3.28Å; N130-Y134 PolarHBondContact N-O 3.39Å; N130-Y134 PolarHBondContact OD1-N 2.85Å; N130-Y134 PolarHBondContact OD1-O 2.87Å; E132-Y134 HydrophobicContact CB-CD2 3.7Å; E132-Y134 HydrophobicContact CB-CE2 3.9Å; E132-Y134 WeakPolarHBondContact OE2-CD2 3.37Å; E132-Y134 VanDerWaalsContact OE2-CE2 3.25Å; E132-Y134 WeakPolarHBondContact OE2-CE2 3.42Å; Y134-K185 HydrophobicContact CD1-CD 4.29Å; Y134-K185 HydrophobicContact CD1-CG 4.07Å; Y134-K185 HydrophobicContact CE1-CD 3.78Å; Y134-K185 HydrophobicContact CE1-CG 4.05Å; Y134-K185 PolarHBondContact OH-NZ 2.88Å
135L98.1Very high97.5Very high23 Ų2336.4 Ų36.412%0.1219%0.191CC..EExtended strand (participates in β ladder)trans-83.5136.4168.8-73.2157000108.3V127 A128 M129 F147 L175 I183V127-L135 HydrophobicContact CG1-CD2 4.01Å; A128-L135 WeakPolarHBondContact O-CA 3.38Å; M129-L135 HydrophobicContact CB-CD2 3.95Å; M129-L135 HydrophobicContact CE-CD2 3.86Å; M129-L135 HydrophobicContact CE-CG 4.17Å; M129-L135 HydrophobicContact CG-CD2 4.43Å; L135-F147 HydrophobicContact CD2-CE1 4.19Å; L135-F147 HydrophobicContact CD2-CZ 3.9Å; L135-L175 HydrophobicContact CD1-CD1 4.01Å; L135-L175 HydrophobicContact CD1-CG 4.43Å; L135-L175 HydrophobicContact CD2-CD1 3.89Å; L135-I183 HydrophobicContact CB-CD1 4.45Å; L135-I183 HydrophobicContact CB-CG1 3.89Å; L135-I183 HydrophobicContact CD1-CD1 3.54Å; L135-I183 HydrophobicContact CD1-CG1 3.63Å; L135-I183 HydrophobicContact CG-CG1 4.4Å
136Y97.5Very high97.5Very high75 Ų7537.3 Ų37.329%0.29419%0.194SC..EExtended strand (participates in β ladder)trans-146.4169.817973.4-79.8000109.1A128 N130 E144A128-Y136 HydrophobicContact CB-CD1 3.97Å; A128-Y136 HydrophobicContact CB-CD2 4.36Å; A128-Y136 HydrophobicContact CB-CE1 3.45Å; A128-Y136 VanDerWaalsContact CB-CE1 3.45Å; A128-Y136 HydrophobicContact CB-CE2 3.88Å; A128-Y136 HydrophobicContact CB-CG 4.39Å; A128-Y136 PolarHBondContact N-O 3.2Å; A128-Y136 WeakPolarHBondContact O-CD1 3.46Å; A128-Y136 PolarHBondContact O-N 2.92Å; A128-Y136 VanDerWaalsContact O-O 3.14Å; N130-Y136 HydrophobicContact CB-CD1 4.11Å; N130-Y136 HydrophobicContact CB-CE1 3.82Å; Y136-E144 WeakPolarHBondContact CE1-OE2 3.37Å; Y136-E144 VanDerWaalsContact CZ-OE2 3.22Å; Y136-E144 PolarHBondContact OH-OE2 2.95Å
137S97.7Very high97.5Very high33 Ų3336 Ų3623%0.23119%0.189CC..EExtended strand (participates in β ladder)trans-103141175.947.70000110.6G91 Y126G91-S137 WeakPolarHBondContact CA-OG 3.38Å; G91-S137 WeakPolarHBondContact O-CB 3.48Å; G91-S137 PolarHBondContact O-OG 3.41Å; Y126-S137 CarbonylContact O-C 3.45Å; Y126-S137 VanDerWaalsContact O-CA 3.24Å; Y126-S137 WeakPolarHBondContact O-CA 3.24Å
138S97.4Very high97.5Very high14 Ų1440.1 Ų40.110%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-131.3134.1179.4-168.20000110.7Y126 V140Y126-S138 PolarHBondContact N-O 2.88Å; Y126-S138 PolarHBondContact O-N 2.96Å; S138-V140 VanDerWaalsContact C-N 3.3Å; S138-V140 PolarHBondContact OG-N 3.18Å; S138-V140 PolarHBondContact OG-O 3.49Å
139D96Very high97.5Very high124 Ų12443 Ų4366%0.66322%0.22SC*.SBendtrans-75.6-21.7172.258.9-21.2000112.6L125L125-D139 HydrophobicContact CD2-CB 3.78Å
140V95.9Very high97.5Very high47 Ų4744.4 Ų44.429%0.28523%0.23SC..SBendtrans-108.7134.5-178.5178.90000110.6S138 T142 H214S138-V140 VanDerWaalsContact C-N 3.3Å; S138-V140 PolarHBondContact OG-N 3.18Å; S138-V140 PolarHBondContact OG-O 3.49Å; V140-T142 HydrophobicContact CG1-CG2 4.41Å; V140-T142 PolarHBondContact O-N 2.8Å; V140-T142 VanDerWaalsContact O-N 3.16Å; V140-H214 HydrophobicContact CG1-CB 3.47Å; V140-H214 VanDerWaalsContact CG1-CB 3.47Å; V140-H214 WeakPolarHBondContact CG1-ND1 3.46Å
141F97.1Very high97.5Very high11 Ų1146.6 Ų46.65%0.04825%0.245CC..  trans-74.8109.5176.6-177.7-114000111.6V111 A117 Y126 C145 K146 P211 L213 H214V111-F141 HydrophobicContact CB-CZ 4.17Å; V111-F141 HydrophobicContact CG1-CE2 4.44Å; V111-F141 HydrophobicContact CG1-CZ 3.94Å; V111-F141 HydrophobicContact CG2-CZ 4.14Å; A117-F141 HydrophobicContact CB-CD2 4.29Å; A117-F141 HydrophobicContact CB-CE2 3.63Å; A117-F141 HydrophobicContact CB-CZ 4.43Å; Y126-F141 HydrophobicContact CD1-CD2 4.21Å; Y126-F141 HydrophobicContact CD2-CB 4.39Å; Y126-F141 HydrophobicContact CE1-CD2 4.16Å; Y126-F141 HydrophobicContact CE2-CB 4.04Å; Y126-F141 HydrophobicContact CG-CD2 4.48Å; F141-C145 HydrophobicContact CD2-CB 3.67Å; F141-C145 HydrophobicContact CE2-CB 3.75Å; F141-K146 HydrophobicContact CE2-CG 4.27Å; F141-K146 HydrophobicContact CZ-CD 4.39Å; F141-K146 HydrophobicContact CZ-CG 3.86Å; F141-P211 HydrophobicContact CB-CB 3.84Å; F141-P211 HydrophobicContact CD1-CB 3.61Å; F141-P211 HydrophobicContact CD1-CG 3.57Å; F141-P211 HydrophobicContact CD2-CB 4.3Å; F141-P211 HydrophobicContact CD2-CG 4.22Å; F141-P211 HydrophobicContact CE1-CB 4.2Å; F141-P211 HydrophobicContact CE1-CG 3.63Å; F141-P211 HydrophobicContact CE2-CG 4.3Å; F141-P211 HydrophobicContact CG-CB 3.65Å; F141-P211 HydrophobicContact CG-CG 3.88Å; F141-P211 HydrophobicContact CZ-CG 4Å; F141-L213 HydrophobicContact CD1-CB 4.44Å; F141-L213 HydrophobicContact CD1-CD1 3.99Å; F141-L213 HydrophobicContact CE1-CD1 3.8Å; F141-H214 PolarHBondContact O-N 3.11Å
142T97Very high97.5Very high15 Ų1545.7 Ų45.79%0.09223%0.229CC..  trans-114166.2178.364.80000111.5V140 E144 C145V140-T142 HydrophobicContact CG1-CG2 4.41Å; V140-T142 PolarHBondContact O-N 2.8Å; V140-T142 VanDerWaalsContact O-N 3.16Å; T142-E144 PolarHBondContact O-N 3.23Å; T142-E144 VanDerWaalsContact O-N 3.15Å; T142-E144 PolarHBondContact OG1-N 3.24Å; T142-C145 PolarHBondContact N-SG 3.1Å; T142-C145 VanDerWaalsContact O-CB 3.26Å; T142-C145 WeakPolarHBondContact O-CB 3.42Å; T142-C145 PolarHBondContact O-N 2.91Å; T142-C145 PolarHBondContact OG1-SG 2.81Å; T142-C145 VanDerWaalsContact OG1-SG 3.4Å
143P97.6Very high97.3Very high29 Ų2946.8 Ų46.819%0.18824%0.235CC..G310 helixtrans-53.5-26.6168-28.634.9000114.6C145 K146 L163 L213 H214 I216P143-C145 PolarHBondContact O-N 3.41Å; P143-K146 WeakPolarHBondContact O-CB 3.32Å; P143-K146 PolarHBondContact O-N 3.2Å; P143-L163 HydrophobicContact CB-CD1 3.87Å; P143-L163 HydrophobicContact CB-CD2 4.43Å; P143-L213 HydrophobicContact CG-CD1 3.96Å; P143-H214 WeakPolarHBondContact CD-O 3.16Å; P143-I216 HydrophobicContact CB-CD1 4.27Å; P143-I216 HydrophobicContact CG-CD1 4.45Å
144E98Very high97Very high17 Ų1754.3 Ų54.38%0.07928%0.275CS..G310 helixtrans-70.9-18.7175.9-62.3-166.4151.700113A128 M129 N130 Y136 T142 K146 L163 Y164 I216A128-E144 WeakPolarHBondContact CA-O 2.92Å; A128-E144 HydrophobicContact CB-CB 4.18Å; M129-E144 PolarHBondContact N-O 2.82Å; M129-E144 VanDerWaalsContact N-O 3.1Å; M129-E144 WeakPolarHBondContact O-CB 3.49Å; N130-E144 WeakPolarHBondContact CA-OE1 3.28Å; Y136-E144 WeakPolarHBondContact CE1-OE2 3.37Å; Y136-E144 VanDerWaalsContact CZ-OE2 3.22Å; Y136-E144 PolarHBondContact OH-OE2 2.95Å; T142-E144 PolarHBondContact O-N 3.23Å; T142-E144 VanDerWaalsContact O-N 3.15Å; T142-E144 PolarHBondContact OG1-N 3.24Å; E144-K146 PolarHBondContact O-N 3.04Å; E144-L163 HydrophobicContact CG-CD1 4.02Å; E144-Y164 HydrophobicContact CG-CE2 4.02Å; E144-Y164 PolarHBondContact OE1-OH 3.47Å; E144-I216 HydrophobicContact CG-CD1 3.53Å; E144-I216 HydrophobicContact CG-CG1 4.25Å
145C98.2Very high96.9Very high0 Ų056.3 Ų56.30%028%0.283CS..G310 helixtrans-79.5-6.3175.4-57.30000113V127 F141 T142 P143 F147V127-C145 WeakPolarHBondContact O-CA 2.97Å; F141-C145 HydrophobicContact CD2-CB 3.67Å; F141-C145 HydrophobicContact CE2-CB 3.75Å; T142-C145 PolarHBondContact N-SG 3.1Å; T142-C145 VanDerWaalsContact O-CB 3.26Å; T142-C145 WeakPolarHBondContact O-CB 3.42Å; T142-C145 PolarHBondContact O-N 2.91Å; T142-C145 PolarHBondContact OG1-SG 2.81Å; T142-C145 VanDerWaalsContact OG1-SG 3.4Å; P143-C145 PolarHBondContact O-N 3.41Å; C145-F147 WeakPolarHBondContact O-CD2 3.48Å
146K98.3Very high96.9Very high51 Ų5157.3 Ų57.322%0.22229%0.285CS..EExtended strand (participates in β ladder)trans-88.4117.8-177-66.5-176.2-179.4-179.50110.3V111 V115 F141 P143 E144 T162V111-K146 HydrophobicContact CG2-CG 4.18Å; V115-K146 HydrophobicContact CG1-CB 3.77Å; V115-K146 HydrophobicContact CG1-CD 4.48Å; V115-K146 HydrophobicContact CG1-CG 4.26Å; F141-K146 HydrophobicContact CE2-CG 4.27Å; F141-K146 HydrophobicContact CZ-CD 4.39Å; F141-K146 HydrophobicContact CZ-CG 3.86Å; P143-K146 WeakPolarHBondContact O-CB 3.32Å; P143-K146 PolarHBondContact O-N 3.2Å; E144-K146 PolarHBondContact O-N 3.04Å; K146-T162 HydrophobicContact CB-CG2 4.02Å; K146-T162 WeakPolarHBondContact CB-OG1 3.24Å; K146-T162 WeakPolarHBondContact O-CG2 3.39Å; K146-T162 PolarHBondContact O-N 2.75Å; K146-T162 PolarHBondContact O-OG1 2.82Å
147F98.7Very high96.9Very high0 Ų054.9 Ų54.90%028%0.278CS..EExtended strand (participates in β ladder)trans-110.2128173.7-68.6-86.4000110.8V115 V116 I118 V127 M129 L135 C145 E149 Y159 S160 L175V115-F147 CarbonylContact C-O 3.53Å; V115-F147 VanDerWaalsContact CA-O 3.3Å; V115-F147 WeakPolarHBondContact CA-O 3.23Å; V116-F147 HydrophobicContact CG2-CB 4.37Å; V116-F147 PolarHBondContact N-O 3.33Å; V116-F147 PolarHBondContact O-N 3.41Å; I118-F147 HydrophobicContact CD1-CD2 4.11Å; I118-F147 HydrophobicContact CD1-CG 4.38Å; I118-F147 HydrophobicContact CG1-CD2 4.41Å; V127-F147 HydrophobicContact CB-CE2 4.13Å; V127-F147 HydrophobicContact CG1-CE2 3.92Å; V127-F147 HydrophobicContact CG1-CZ 3.91Å; V127-F147 WeakPolarHBondContact O-CE2 3.49Å; M129-F147 HydrophobicContact CB-CE1 4.28Å; M129-F147 HydrophobicContact CB-CZ 4.23Å; M129-F147 HydrophobicContact CE-CE1 4.27Å; L135-F147 HydrophobicContact CD2-CE1 4.19Å; L135-F147 HydrophobicContact CD2-CZ 3.9Å; C145-F147 WeakPolarHBondContact O-CD2 3.48Å; F147-E149 PolarHBondContact O-N 3.49Å; F147-Y159 HydrophobicContact CB-CD1 4.43Å; F147-S160 CarbonylContact C-O 3.55Å; F147-S160 VanDerWaalsContact CA-O 3.28Å; F147-S160 WeakPolarHBondContact CA-O 3.41Å; F147-L175 HydrophobicContact CE1-CB 4.43Å
148K98.4Very high96.9Very high86 Ų8653.5 Ų53.537%0.37427%0.268SS..EExtended strand (participates in β ladder)trans-76.5114.1165.9179.2178.3-178.2176.10108.7R114 S160 T162R114-K148 WeakPolarHBondContact O-CA 3.15Å; K148-S160 PolarHBondContact N-O 2.82Å; K148-S160 PolarHBondContact O-N 3.16Å; K148-S160 PolarHBondContact O-OG 3.41Å; K148-S160 VanDerWaalsContact O-OG 3.13Å; K148-T162 HydrophobicContact CB-CG2 4.16Å
149E97.8Very high97Very high60 Ų6052.8 Ų52.828%0.2826%0.263SS..EExtended strand (participates in β ladder)trans-80142.4170.465.9-177.1-178.800110.2R114 V116 F147 V157 I158 Y159R114-E149 HydrophobicContact CB-CG 4.2Å; R114-E149 PolarHBondContact O-N 3.28Å; V116-E149 HydrophobicContact CG1-CG 4.39Å; V116-E149 WeakPolarHBondContact CG1-OE2 3.2Å; V116-E149 HydrophobicContact CG2-CB 4.41Å; F147-E149 PolarHBondContact O-N 3.49Å; E149-V157 HydrophobicContact CB-CG1 4.23Å; E149-I158 WeakPolarHBondContact CA-O 3.25Å; E149-Y159 HydrophobicContact CB-CD1 3.94Å; E149-Y159 HydrophobicContact CB-CE1 3.83Å
150S97.6Very high97.1Very high30 Ų3047.1 Ų47.121%0.2123%0.234CC..EExtended strand (participates in β ladder)trans-149.9146.8175.8-70.20000109.6V157 I158S150-V157 WeakPolarHBondContact O-CA 3.41Å; S150-I158 PolarHBondContact N-O 3.18Å; S150-I158 WeakPolarHBondContact O-CG1 3.43Å; S150-I158 PolarHBondContact O-N 3.44Å
151V97.7Very high97.2Very high85 Ų8544.9 Ų44.952%0.51522%0.22SC..EExtended strand (participates in β ladder)trans-83.5137173-172.20000109N154 Y156V151-N154 VanDerWaalsContact CG1-CA 3.5Å; V151-Y156 CarbonylContact C-O 3.47Å; V151-Y156 VanDerWaalsContact CA-O 3.29Å; V151-Y156 WeakPolarHBondContact CA-O 3.37Å
152F96.9Very high97.2Very high19 Ų1946.7 Ų46.78%0.08323%0.232CC..EExtended strand (participates in β ladder)trans-113.1131.9172.9-177.7-112.4000109.9N154 Y155 Y156 I158 K191 T192 H197F152-N154 PolarHBondContact O-N 3.06Å; F152-Y155 PolarHBondContact O-N 2.94Å; F152-Y156 HydrophobicContact CD1-CD2 4.48Å; F152-Y156 PolarHBondContact N-O 2.83Å; F152-Y156 PolarHBondContact O-N 2.91Å; F152-I158 HydrophobicContact CB-CD1 4.46Å; F152-I158 HydrophobicContact CB-CG2 3.95Å; F152-K191 HydrophobicContact CD2-CD 4.17Å; F152-K191 HydrophobicContact CD2-CG 3.72Å; F152-K191 HydrophobicContact CE2-CG 3.96Å; F152-K191 HydrophobicContact CG-CG 4.38Å; F152-T192 HydrophobicContact CE2-CG2 4.28Å; F152-T192 HydrophobicContact CZ-CG2 4.11Å; F152-H197 AromaticContact CD1-CD2 3.85Å; F152-H197 AromaticContact CD1-CE1 3.44Å; F152-H197 VanDerWaalsContact CD1-CE1 3.44Å; F152-H197 WeakPolarHBondContact CD1-CE1 3.47Å; F152-H197 AromaticContact CD1-NE2 3.16Å; F152-H197 WeakPolarHBondContact CD1-NE2 3.42Å; F152-H197 AromaticContact CE1-CE1 3.39Å; F152-H197 WeakPolarHBondContact CE1-CE1 3.49Å; F152-H197 AromaticContact CE1-NE2 3.36Å; F152-H197 WeakPolarHBondContact CE1-NE2 3.46Å
153E92.8Very high97.2Very high148 Ų14849.7 Ų49.769%0.69225%0.247SC*.THydrogen-bonded Turntrans48.929-177.1-68.5178.1178.100114.1Y155E153-Y155 PolarHBondContact O-N 2.77Å
154N89.8Confident97.3Very high159 Ų15950.8 Ų50.885%0.8525%0.248SC*.THydrogen-bonded Turntrans61.616.6-177.4-118.336.1000115.5V151 F152V151-N154 VanDerWaalsContact CG1-CA 3.5Å; F152-N154 PolarHBondContact O-N 3.06Å
155Y95.5Very high97.2Very high156 Ų15655.1 Ų55.161%0.61226%0.263SS*.THydrogen-bonded Turntrans-133.8-56.1-177.2-177-106.5000113.2F152 E153 V199F152-Y155 PolarHBondContact O-N 2.94Å; E153-Y155 PolarHBondContact O-N 2.77Å; Y155-V199 HydrophobicContact CE1-CG2 4.22Å
156Y98.1Very high97.1Very high44 Ų4458.2 Ų58.217%0.17328%0.278CS..EExtended strand (participates in β ladder)trans-83.2149.3-176.6-63.9-68.1000112Q80 V151 F152 H197 V199Q80-Y156 HydrophobicContact CB-CE1 4.08Å; Q80-Y156 VanDerWaalsContact CD-OH 3.31Å; Q80-Y156 HydrophobicContact CG-CE1 4.16Å; Q80-Y156 PolarHBondContact NE2-OH 2.82Å; Q80-Y156 VanDerWaalsContact NE2-OH 3.17Å; V151-Y156 CarbonylContact C-O 3.47Å; V151-Y156 VanDerWaalsContact CA-O 3.29Å; V151-Y156 WeakPolarHBondContact CA-O 3.37Å; F152-Y156 HydrophobicContact CD1-CD2 4.48Å; F152-Y156 PolarHBondContact N-O 2.83Å; F152-Y156 PolarHBondContact O-N 2.91Å; Y156-H197 HydrophobicContact CD1-CB 3.7Å; Y156-H197 HydrophobicContact CD2-CB 4.12Å; Y156-H197 AromaticContact CD2-CG 3.86Å; Y156-H197 AromaticContact CD2-ND1 3.54Å; Y156-H197 HydrophobicContact CE1-CB 4.26Å; Y156-H197 AromaticContact CE2-ND1 3.83Å; Y156-H197 HydrophobicContact CG-CB 3.61Å; Y156-H197 AromaticContact CG-CG 3.8Å; Y156-H197 AromaticContact CG-ND1 3.95Å; Y156-V199 HydrophobicContact CD1-CG2 3.9Å; Y156-V199 HydrophobicContact CE1-CG2 4.08Å
157V98.4Very high96.9Very high25 Ų2564.9 Ų64.915%0.15231%0.31CS..EExtended strand (participates in β ladder)trans-99.4133.7167.8-173.50000109E149 S150 Y159 F198 P200E149-V157 HydrophobicContact CB-CG1 4.23Å; S150-V157 WeakPolarHBondContact O-CA 3.41Å; V157-Y159 HydrophobicContact CB-CE2 4.49Å; V157-Y159 HydrophobicContact CG1-CE1 3.88Å; V157-Y159 HydrophobicContact CG1-CE2 3.98Å; V157-F198 PolarHBondContact N-O 2.94Å; V157-F198 PolarHBondContact O-N 3.01Å; V157-P200 HydrophobicContact CB-CG 4.23Å; V157-P200 HydrophobicContact CG2-CG 3.88Å
158I98.4Very high96.7Very high3 Ų373.9 Ų73.92%0.01535%0.352CS..EExtended strand (participates in β ladder)trans-118.6140.3174.169.8-173.1000109.1E149 S150 F152 F174 K191 S196E149-I158 WeakPolarHBondContact CA-O 3.25Å; S150-I158 PolarHBondContact N-O 3.18Å; S150-I158 WeakPolarHBondContact O-CG1 3.43Å; S150-I158 PolarHBondContact O-N 3.44Å; F152-I158 HydrophobicContact CB-CD1 4.46Å; F152-I158 HydrophobicContact CB-CG2 3.95Å; I158-F174 HydrophobicContact CB-CD1 4.15Å; I158-F174 HydrophobicContact CB-CE1 4.27Å; I158-F174 HydrophobicContact CD1-CD1 4.26Å; I158-F174 HydrophobicContact CD1-CE1 3.52Å; I158-F174 HydrophobicContact CD1-CZ 4.19Å; I158-F174 HydrophobicContact CG1-CD1 4.23Å; I158-F174 HydrophobicContact CG1-CE1 3.86Å; I158-K191 HydrophobicContact CD1-CB 4.18Å; I158-K191 HydrophobicContact CD1-CD 3.44Å; I158-K191 VanDerWaalsContact CD1-CD 3.44Å; I158-K191 HydrophobicContact CD1-CG 3.49Å; I158-K191 VanDerWaalsContact CD1-CG 3.49Å; I158-S196 WeakPolarHBondContact CG2-O 3.47Å
159Y98.7Very high96.5Very high0 Ų073.7 Ų73.70%036%0.361CS..EExtended strand (participates in β ladder)trans-113.1117.6179.7-59.4-78.9000109.2L77 L108 V116 I118 F147 E149 V157 F174 L175 F198L77-Y159 HydrophobicContact CD1-CE2 4.17Å; L77-Y159 HydrophobicContact CD2-CE2 4.18Å; L77-Y159 WeakPolarHBondContact CD2-OH 3.32Å; L108-Y159 HydrophobicContact CD1-CE1 4.4Å; V116-Y159 HydrophobicContact CG2-CD1 3.91Å; V116-Y159 HydrophobicContact CG2-CE1 3.85Å; I118-Y159 HydrophobicContact CD1-CD1 4.1Å; I118-Y159 HydrophobicContact CD1-CE1 4.47Å; I118-Y159 HydrophobicContact CD1-CG 4.11Å; F147-Y159 HydrophobicContact CB-CD1 4.43Å; E149-Y159 HydrophobicContact CB-CD1 3.94Å; E149-Y159 HydrophobicContact CB-CE1 3.83Å; V157-Y159 HydrophobicContact CB-CE2 4.49Å; V157-Y159 HydrophobicContact CG1-CE1 3.88Å; V157-Y159 HydrophobicContact CG1-CE2 3.98Å; Y159-F174 CarbonylContact O-C 3.55Å; Y159-F174 VanDerWaalsContact O-CA 3.29Å; Y159-F174 WeakPolarHBondContact O-CA 3.26Å; Y159-L175 HydrophobicContact CD2-CD2 3.95Å; Y159-L175 HydrophobicContact CG-CD2 4.48Å; Y159-L175 PolarHBondContact O-N 3.28Å; Y159-F198 HydrophobicContact CD2-CD2 4.18Å; Y159-F198 HydrophobicContact CE2-CB 4.15Å; Y159-F198 HydrophobicContact CE2-CD2 4.43Å; Y159-F198 HydrophobicContact CE2-CG 4.42Å
160S98.3Very high96.4Very high5 Ų572.7 Ų72.74%0.03537%0.367CS..EExtended strand (participates in β ladder)trans-114.1146.2-179.350.60000112F147 K148 T162 W173F147-S160 CarbonylContact C-O 3.55Å; F147-S160 VanDerWaalsContact CA-O 3.28Å; F147-S160 WeakPolarHBondContact CA-O 3.41Å; K148-S160 PolarHBondContact N-O 2.82Å; K148-S160 PolarHBondContact O-N 3.16Å; K148-S160 PolarHBondContact O-OG 3.41Å; K148-S160 VanDerWaalsContact O-OG 3.13Å; S160-T162 PolarHBondContact O-N 3.04Å; S160-W173 CarbonylContact C-O 3.48Å; S160-W173 WeakPolarHBondContact CA-O 3.48Å; S160-W173 WeakPolarHBondContact CB-O 3.48Å
161S98.2Very high96.4Very high0 Ų075.2 Ų75.20%037%0.372CS..EExtended strand (participates in β ladder)trans-57.3137170.6178.30000110.1L163 Y164 W173S161-L163 VanDerWaalsContact C-N 3.28Å; S161-L163 PolarHBondContact OG-N 3.39Å; S161-L163 VanDerWaalsContact OG-N 3.13Å; S161-Y164 WeakPolarHBondContact OG-CD2 3.39Å; S161-Y164 PolarHBondContact OG-N 3.07Å; S161-W173 PolarHBondContact N-O 2.84Å
162T97.6Very high96.4Very high49 Ų4971.7 Ų71.730%0.30135%0.352SS..EExtended strand (participates in β ladder)trans-74.6-22.1171.154.70000112.5V115 K146 K148 S160V115-T162 HydrophobicContact CG1-CG2 3.94Å; V115-T162 HydrophobicContact CG2-CG2 4.23Å; K146-T162 HydrophobicContact CB-CG2 4.02Å; K146-T162 WeakPolarHBondContact CB-OG1 3.24Å; K146-T162 WeakPolarHBondContact O-CG2 3.39Å; K146-T162 PolarHBondContact O-N 2.75Å; K146-T162 PolarHBondContact O-OG1 2.82Å; K148-T162 HydrophobicContact CB-CG2 4.16Å; S160-T162 PolarHBondContact O-N 3.04Å
163L97.1Very high96.5Very high77 Ų7772 Ų7240%0.40335%0.353SS..EExtended strand (participates in β ladder)trans-99.4-45.1-174-59.4176.7000112.5P143 E144 S161 I216P143-L163 HydrophobicContact CB-CD1 3.87Å; P143-L163 HydrophobicContact CB-CD2 4.43Å; E144-L163 HydrophobicContact CG-CD1 4.02Å; S161-L163 VanDerWaalsContact C-N 3.28Å; S161-L163 PolarHBondContact OG-N 3.39Å; S161-L163 VanDerWaalsContact OG-N 3.13Å; L163-I216 HydrophobicContact CD1-CD1 4.21Å
164Y97.7Very high96.7Very high52 Ų5265.5 Ų65.520%0.20432%0.322CS..EExtended strand (participates in β ladder)trans-104.3131.7-163.2-53.9-57.9000113.5M129 N130 G131 E144 S161 W173M129-Y164 WeakPolarHBondContact O-CD2 3.3Å; M129-Y164 WeakPolarHBondContact O-CE2 3.24Å; N130-Y164 WeakPolarHBondContact O-CD2 3.47Å; G131-Y164 VanDerWaalsContact CA-CE1 3.45Å; G131-Y164 VanDerWaalsContact CA-CZ 3.47Å; E144-Y164 HydrophobicContact CG-CE2 4.02Å; E144-Y164 PolarHBondContact OE1-OH 3.47Å; S161-Y164 WeakPolarHBondContact OG-CD2 3.39Å; S161-Y164 PolarHBondContact OG-N 3.07Å; Y164-W173 VanDerWaalsContact CB-CE3 3.44Å; Y164-W173 HydrophobicContact CG-CE3 4.39Å; Y164-W173 HydrophobicContact CG-CZ3 4.33Å; Y164-W173 PolarHBondContact O-N 3.14Å
165R97.3Very high97.1Very high109 Ų10957.9 Ų57.941%0.41128%0.282SS..EExtended strand (participates in β ladder)trans-146.7157.4-177.3-57.4179.3176.1-85.5-16.4108.8Q167 R171R165-Q167 PolarHBondContact O-N 2.74Å; R165-R171 CarbonylContact C-O 3.56Å; R165-R171 WeakPolarHBondContact CA-O 3.45Å
166Q96.4Very high97.3Very high65 Ų6550.5 Ų50.530%0.30425%0.252SS..  trans-62127.8168.8-164.571.447.400109.4S169 G170 R171Q166-S169 WeakPolarHBondContact CB-OG 3.35Å; Q166-S169 WeakPolarHBondContact CG-OG 3.29Å; Q166-G170 WeakPolarHBondContact O-CA 3.32Å; Q166-G170 PolarHBondContact O-N 3.1Å; Q166-R171 HydrophobicContact CB-CB 4.18Å; Q166-R171 PolarHBondContact N-O 3.34Å
167Q93Very high97.3Very high190 Ų19048.4 Ų48.489%0.88824%0.244SC*.THydrogen-bonded Turntrans-62.5-46-174.8-69.5-179-19.600112.9R165R165-Q167 PolarHBondContact O-N 2.74Å
168E94.4Very high97.3Very high189 Ų18948.7 Ų48.788%0.88325%0.245SC*.THydrogen-bonded Turntrans-76.2-47.7-176.1-63.6173.4178.800113.1
169S95Very high97.2Very high82 Ų8256 Ų5657%0.57328%0.276SS*.THydrogen-bonded Turntrans-92.5-10.4-174.259.20000114.4Q166 R171Q166-S169 WeakPolarHBondContact CB-OG 3.35Å; Q166-S169 WeakPolarHBondContact CG-OG 3.29Å; S169-R171 PolarHBondContact O-N 3.27Å; S169-R171 VanDerWaalsContact O-N 3.1Å
170G96.1Very high97.2Very high40 Ų4061.7 Ų61.741%0.41230%0.303SS..  trans66.65.5-173.300000114.9Q166 A172Q166-G170 WeakPolarHBondContact O-CA 3.32Å; Q166-G170 PolarHBondContact O-N 3.1Å; G170-A172 PolarHBondContact O-N 3.13Å
171R96.6Very high97.1Very high82 Ų8261.5 Ų61.531%0.30930%0.302SS..PPolyproline II helixtrans-63.7126.3-177.5-178.5176.45982.8-1110.7R165 Q166 S169 N187 V189R165-R171 CarbonylContact C-O 3.56Å; R165-R171 WeakPolarHBondContact CA-O 3.45Å; Q166-R171 HydrophobicContact CB-CB 4.18Å; Q166-R171 PolarHBondContact N-O 3.34Å; S169-R171 PolarHBondContact O-N 3.27Å; S169-R171 VanDerWaalsContact O-N 3.1Å; R171-N187 PolarHBondContact NH1-O 2.89Å; R171-N187 PolarHBondContact NH2-O 2.88Å; R171-V189 PolarHBondContact NH1-O 2.92Å
172A97.7Very high97.1Very high11 Ų1167.2 Ų67.29%0.09133%0.329CS..EExtended strand (participates in β ladder)trans-63.9152177.600000112.3G170 F174G170-A172 PolarHBondContact O-N 3.13Å; A172-F174 HydrophobicContact CB-CE1 4.39Å; A172-F174 HydrophobicContact CB-CE2 3.84Å; A172-F174 HydrophobicContact CB-CZ 3.72Å; A172-F174 VanDerWaalsContact O-CD2 3.29Å; A172-F174 WeakPolarHBondContact O-CD2 3.43Å; A172-F174 WeakPolarHBondContact O-CE2 3.42Å
173W98.4Very high97.2Very high26 Ų2667.6 Ų67.610%0.09833%0.329CS..EExtended strand (participates in β ladder)trans-97.9141.1170.4-64-1.8000109.5M129 G131 G133 S160 S161 Y164 G186 N187M129-W173 HydrophobicContact CE-CB 4.44Å; M129-W173 HydrophobicContact SD-CB 3.7Å; M129-W173 HydrophobicContact SD-CE3 4.21Å; G131-W173 WeakPolarHBondContact O-CZ3 3.47Å; G133-W173 VanDerWaalsContact CA-CZ3 3.47Å; G133-W173 VanDerWaalsContact N-CZ3 3.32Å; S160-W173 CarbonylContact C-O 3.48Å; S160-W173 WeakPolarHBondContact CA-O 3.48Å; S160-W173 WeakPolarHBondContact CB-O 3.48Å; S161-W173 PolarHBondContact N-O 2.84Å; Y164-W173 VanDerWaalsContact CB-CE3 3.44Å; Y164-W173 HydrophobicContact CG-CE3 4.39Å; Y164-W173 HydrophobicContact CG-CZ3 4.33Å; Y164-W173 PolarHBondContact O-N 3.14Å; W173-G186 WeakPolarHBondContact CA-O 3.36Å; W173-N187 HydrophobicContact CD2-CB 3.84Å; W173-N187 VanDerWaalsContact CE2-CB 3.49Å; W173-N187 HydrophobicContact CG-CB 4.1Å; W173-N187 HydrophobicContact CZ2-CB 3.89Å
174F98.5Very high97.2Very high11 Ų1166.1 Ų66.15%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-125147.2-167.4-64.5-88000112I158 Y159 A172 G186 V189 K191I158-F174 HydrophobicContact CB-CD1 4.15Å; I158-F174 HydrophobicContact CB-CE1 4.27Å; I158-F174 HydrophobicContact CD1-CD1 4.26Å; I158-F174 HydrophobicContact CD1-CE1 3.52Å; I158-F174 HydrophobicContact CD1-CZ 4.19Å; I158-F174 HydrophobicContact CG1-CD1 4.23Å; I158-F174 HydrophobicContact CG1-CE1 3.86Å; Y159-F174 CarbonylContact O-C 3.55Å; Y159-F174 VanDerWaalsContact O-CA 3.29Å; Y159-F174 WeakPolarHBondContact O-CA 3.26Å; A172-F174 HydrophobicContact CB-CE1 4.39Å; A172-F174 HydrophobicContact CB-CE2 3.84Å; A172-F174 HydrophobicContact CB-CZ 3.72Å; A172-F174 VanDerWaalsContact O-CD2 3.29Å; A172-F174 WeakPolarHBondContact O-CD2 3.43Å; A172-F174 WeakPolarHBondContact O-CE2 3.42Å; F174-G186 PolarHBondContact N-O 3.1Å; F174-G186 VanDerWaalsContact N-O 3.14Å; F174-G186 WeakPolarHBondContact O-CA 3.38Å; F174-V189 HydrophobicContact CB-CB 3.92Å; F174-V189 HydrophobicContact CB-CG1 3.57Å; F174-V189 WeakPolarHBondContact O-CB 3.27Å; F174-V189 WeakPolarHBondContact O-CG2 3.49Å; F174-K191 HydrophobicContact CE1-CB 4.34Å; F174-K191 HydrophobicContact CE2-CB 3.9Å; F174-K191 HydrophobicContact CZ-CB 3.71Å; F174-K191 HydrophobicContact CZ-CD 4.42Å; F174-K191 HydrophobicContact CZ-CG 4.48Å
175L98.4Very high97.2Very high0 Ų066 Ų660%032%0.321CS..  trans-61.9136.7159-178.6103.4000108.8L85 V127 L135 F147 Y159 F198L85-L175 HydrophobicContact CD2-CD2 4.39Å; V127-L175 HydrophobicContact CG1-CD1 3.79Å; L135-L175 HydrophobicContact CD1-CD1 4.01Å; L135-L175 HydrophobicContact CD1-CG 4.43Å; L135-L175 HydrophobicContact CD2-CD1 3.89Å; F147-L175 HydrophobicContact CE1-CB 4.43Å; Y159-L175 HydrophobicContact CD2-CD2 3.95Å; Y159-L175 HydrophobicContact CG-CD2 4.48Å; Y159-L175 PolarHBondContact O-N 3.28Å; L175-F198 HydrophobicContact CD2-CD2 4.25Å; L175-F198 HydrophobicContact CD2-CE1 4.4Å; L175-F198 HydrophobicContact CD2-CE2 3.62Å; L175-F198 HydrophobicContact CD2-CZ 3.69Å; L175-F198 HydrophobicContact CG-CE2 4.32Å; L175-F198 HydrophobicContact CG-CZ 4.36Å
176G98.2Very high97.3Very high0 Ų060.8 Ų60.80%030%0.301CS..  trans-173.2159175.700000115.4M184 S195G176-M184 WeakPolarHBondContact O-CB 3.25Å; G176-M184 PolarHBondContact O-N 3.12Å; G176-S195 CarbonylContact C-O 3.57Å; G176-S195 WeakPolarHBondContact CA-O 3.17Å
177L98.5Very high97.3Very high0 Ų059.8 Ų59.80%030%0.298CS..BIsolated β-bridgetrans-111.3145.6177.9-61.7178.3000111Q81 L85 Q182 I183 S195 F198Q81-L177 PolarHBondContact NE2-O 3.3Å; L85-L177 HydrophobicContact CD1-CD1 4.45Å; L85-L177 HydrophobicContact CD1-CD2 4.16Å; L177-Q182 CarbonylContact C-O 3.49Å; L177-Q182 VanDerWaalsContact CA-O 3.32Å; L177-Q182 WeakPolarHBondContact CA-O 3.45Å; L177-I183 HydrophobicContact CD2-CD1 3.95Å; L177-S195 PolarHBondContact N-O 3.14Å; L177-S195 WeakPolarHBondContact O-CA 3.46Å; L177-S195 WeakPolarHBondContact O-CB 3.35Å; L177-F198 HydrophobicContact CD1-CE1 4.43Å; L177-F198 HydrophobicContact CG-CZ 4.37Å
178N97.8Very high97.5Very high31 Ų3159.3 Ų59.317%0.16629%0.288CS..  trans-77.2-174.6170.569.36.9000110.8Q81 E180 G181 Q182 M184Q81-N178 WeakPolarHBondContact CG-O 3.29Å; Q81-N178 VanDerWaalsContact NE2-C 3.31Å; Q81-N178 PolarHBondContact NE2-O 2.98Å; N178-E180 WeakPolarHBondContact CB-OE2 3.45Å; N178-E180 PolarHBondContact ND2-OE2 2.86Å; N178-E180 VanDerWaalsContact ND2-OE2 3.1Å; N178-E180 PolarHBondContact O-N 3.31Å; N178-E180 WeakPolarHBondContact OD1-CA 3.46Å; N178-E180 WeakPolarHBondContact OD1-CB 3.42Å; N178-E180 PolarHBondContact OD1-N 3.01Å; N178-E180 VanDerWaalsContact OD1-N 3.07Å; N178-E180 PolarHBondContact OD1-OE2 3.07Å; N178-G181 PolarHBondContact O-N 3.19Å; N178-G181 PolarHBondContact OD1-N 2.83Å; N178-Q182 PolarHBondContact N-O 3.42Å; N178-Q182 PolarHBondContact ND2-OE1 2.84Å; N178-Q182 VanDerWaalsContact ND2-OE1 3.13Å; N178-Q182 WeakPolarHBondContact OD1-CA 3.27Å; N178-Q182 PolarHBondContact OD1-N 3.04Å; N178-Q182 PolarHBondContact OD1-O 3.04Å; N178-M184 HydrophobicContact CB-CG 3.85Å; N178-M184 HydrophobicContact CB-SD 3.96Å
179K97.7Very high97.7Very high156 Ų15650.3 Ų50.368%0.67825%0.246SC*.THydrogen-bonded Turntrans-73.4-17.7-178.6-67.2-179.1177.8-176.60112Y83 G181Y83-K179 WeakPolarHBondContact CE2-O 3.42Å; Y83-K179 PolarHBondContact OH-O 2.74Å; K179-G181 VanDerWaalsContact C-N 3.35Å
180E97.7Very high97.8Very high120 Ų12051.5 Ų51.556%0.56124%0.241SC*.THydrogen-bonded Turntrans-91.4-0.4-179-57.169-148.700111.9N178 Q182N178-E180 WeakPolarHBondContact CB-OE2 3.45Å; N178-E180 PolarHBondContact ND2-OE2 2.86Å; N178-E180 VanDerWaalsContact ND2-OE2 3.1Å; N178-E180 PolarHBondContact O-N 3.31Å; N178-E180 WeakPolarHBondContact OD1-CA 3.46Å; N178-E180 WeakPolarHBondContact OD1-CB 3.42Å; N178-E180 PolarHBondContact OD1-N 3.01Å; N178-E180 VanDerWaalsContact OD1-N 3.07Å; N178-E180 PolarHBondContact OD1-OE2 3.07Å; E180-Q182 HydrophobicContact CB-CG 4.42Å
181G97.6Very high97.9Very high2 Ų253.8 Ų53.82%0.02124%0.239CC..SBendtrans82.98-178.900000114.5D94 G95 N178 K179D94-G181 CarbonylContact C-O 3.57Å; G95-G181 VanDerWaalsContact CA-O 3.27Å; G95-G181 WeakPolarHBondContact CA-O 3.21Å; G95-G181 PolarHBondContact N-O 3.45Å; N178-G181 PolarHBondContact O-N 3.19Å; N178-G181 PolarHBondContact OD1-N 2.83Å; K179-G181 VanDerWaalsContact C-N 3.35Å
182Q98.2Very high97.9Very high119 Ų11954.6 Ų54.656%0.55625%0.253SS*.BIsolated β-bridgetrans-90.4150.9179.8-52173-40.900112L177 N178 E180L177-Q182 CarbonylContact C-O 3.49Å; L177-Q182 VanDerWaalsContact CA-O 3.32Å; L177-Q182 WeakPolarHBondContact CA-O 3.45Å; N178-Q182 PolarHBondContact N-O 3.42Å; N178-Q182 PolarHBondContact ND2-OE1 2.84Å; N178-Q182 VanDerWaalsContact ND2-OE1 3.13Å; N178-Q182 WeakPolarHBondContact OD1-CA 3.27Å; N178-Q182 PolarHBondContact OD1-N 3.04Å; N178-Q182 PolarHBondContact OD1-O 3.04Å; E180-Q182 HydrophobicContact CB-CG 4.42Å
183I98Very high97.9Very high58 Ų5859.6 Ų59.630%0.29727%0.273SS..BIsolated β-bridgetrans-65.8134.1178.6-159.263.7000111.9I93 L135 L177I93-I183 HydrophobicContact CG2-CD1 4.04Å; I93-I183 WeakPolarHBondContact O-CB 3.22Å; L135-I183 HydrophobicContact CB-CD1 4.45Å; L135-I183 HydrophobicContact CB-CG1 3.89Å; L135-I183 HydrophobicContact CD1-CD1 3.54Å; L135-I183 HydrophobicContact CD1-CG1 3.63Å; L135-I183 HydrophobicContact CG-CG1 4.4Å; L177-I183 HydrophobicContact CD2-CD1 3.95Å
184M98.2Very high97.9Very high45 Ų4560.7 Ų60.722%0.22228%0.284CS..PPolyproline II helixtrans-100.4146.6179.1-66.9-174.772.900111.9G176 N178 G186 R188 V189 S195G176-M184 WeakPolarHBondContact O-CB 3.25Å; G176-M184 PolarHBondContact O-N 3.12Å; N178-M184 HydrophobicContact CB-CG 3.85Å; N178-M184 HydrophobicContact CB-SD 3.96Å; M184-G186 PolarHBondContact O-N 2.91Å; M184-R188 HydrophobicContact CE-CB 4.28Å; M184-V189 HydrophobicContact CB-CG2 3.44Å; M184-V189 VanDerWaalsContact CB-CG2 3.44Å; M184-V189 HydrophobicContact CG-CG2 4.39Å; M184-V189 HydrophobicContact SD-CG2 4.22Å; M184-S195 VanDerWaalsContact SD-CB 3.52Å
185K98Very high97.9Very high49 Ų4960.6 Ų60.621%0.21329%0.285CS..PPolyproline II helixtrans-60.8127.3167.3-161.9179.61771600110.2E132 G133 Y134 N187 R188 V189E132-K185 WeakPolarHBondContact O-CE 3.26Å; E132-K185 PolarHBondContact O-NZ 2.49Å; G133-K185 CarbonylContact O-C 3.59Å; G133-K185 WeakPolarHBondContact O-CA 3.3Å; G133-K185 WeakPolarHBondContact O-CG 3.36Å; Y134-K185 HydrophobicContact CD1-CD 4.29Å; Y134-K185 HydrophobicContact CD1-CG 4.07Å; Y134-K185 HydrophobicContact CE1-CD 3.78Å; Y134-K185 HydrophobicContact CE1-CG 4.05Å; Y134-K185 PolarHBondContact OH-NZ 2.88Å; K185-N187 VanDerWaalsContact C-N 3.26Å; K185-N187 VanDerWaalsContact CD-OD1 3.23Å; K185-N187 WeakPolarHBondContact CD-OD1 3.33Å; K185-N187 WeakPolarHBondContact CG-OD1 3.43Å; K185-N187 PolarHBondContact O-N 2.76Å; K185-N187 VanDerWaalsContact O-N 3.13Å; K185-R188 HydrophobicContact CB-CG 4.31Å; K185-R188 WeakPolarHBondContact O-CA 3.49Å; K185-R188 VanDerWaalsContact O-CB 3.31Å; K185-R188 WeakPolarHBondContact O-CB 3.26Å; K185-R188 PolarHBondContact O-N 3.49Å; K185-V189 PolarHBondContact O-N 3.02Å
186G98.2Very high97.9Very high0 Ų060.6 Ų60.60%029%0.285CS..THydrogen-bonded Turntrans-61.2-28.3-168.200000115.2G133 W173 F174 M184 R188 V189G133-G186 PolarHBondContact O-N 3.31Å; W173-G186 WeakPolarHBondContact CA-O 3.36Å; F174-G186 PolarHBondContact N-O 3.1Å; F174-G186 VanDerWaalsContact N-O 3.14Å; F174-G186 WeakPolarHBondContact O-CA 3.38Å; M184-G186 PolarHBondContact O-N 2.91Å; G186-R188 VanDerWaalsContact C-N 3.28Å; G186-R188 PolarHBondContact O-N 2.85Å; G186-V189 PolarHBondContact O-N 2.93Å
187N97Very high97.9Very high44 Ų4460.9 Ų60.924%0.23529%0.286CS..THydrogen-bonded Turntrans-70.5-23.6173.969.4-27.9000113.4R171 W173 K185R171-N187 PolarHBondContact NH1-O 2.89Å; R171-N187 PolarHBondContact NH2-O 2.88Å; W173-N187 HydrophobicContact CD2-CB 3.84Å; W173-N187 VanDerWaalsContact CE2-CB 3.49Å; W173-N187 HydrophobicContact CG-CB 4.1Å; W173-N187 HydrophobicContact CZ2-CB 3.89Å; K185-N187 VanDerWaalsContact C-N 3.26Å; K185-N187 VanDerWaalsContact CD-OD1 3.23Å; K185-N187 WeakPolarHBondContact CD-OD1 3.33Å; K185-N187 WeakPolarHBondContact CG-OD1 3.43Å; K185-N187 PolarHBondContact O-N 2.76Å; K185-N187 VanDerWaalsContact O-N 3.13Å
188R97.9Very high97.9Very high181 Ų18160.9 Ų60.968%0.68329%0.286SS*.THydrogen-bonded Turntrans-85.5-18.8175.9-61.9-177172.7179.8-2.2112.9M184 K185 G186M184-R188 HydrophobicContact CE-CB 4.28Å; K185-R188 HydrophobicContact CB-CG 4.31Å; K185-R188 WeakPolarHBondContact O-CA 3.49Å; K185-R188 VanDerWaalsContact O-CB 3.31Å; K185-R188 WeakPolarHBondContact O-CB 3.26Å; K185-R188 PolarHBondContact O-N 3.49Å; G186-R188 VanDerWaalsContact C-N 3.28Å; G186-R188 PolarHBondContact O-N 2.85Å
189V98.4Very high97.9Very high0 Ų061.4 Ų61.40%029%0.29CS..  trans-79.4132.1177.1-173.90000109.7R171 F174 M184 K185 G186 S196R171-V189 PolarHBondContact NH1-O 2.92Å; F174-V189 HydrophobicContact CB-CB 3.92Å; F174-V189 HydrophobicContact CB-CG1 3.57Å; F174-V189 WeakPolarHBondContact O-CB 3.27Å; F174-V189 WeakPolarHBondContact O-CG2 3.49Å; M184-V189 HydrophobicContact CB-CG2 3.44Å; M184-V189 VanDerWaalsContact CB-CG2 3.44Å; M184-V189 HydrophobicContact CG-CG2 4.39Å; M184-V189 HydrophobicContact SD-CG2 4.22Å; K185-V189 PolarHBondContact O-N 3.02Å; G186-V189 PolarHBondContact O-N 2.93Å; V189-S196 VanDerWaalsContact CG1-CB 3.45Å
190K97.4Very high97.9Very high106 Ų10655.6 Ų55.646%0.46127%0.268SS..  trans-119.8134.2-177.2-64.8-178.3-178.8-178.60109.8T192 K193 S196K190-T192 PolarHBondContact O-N 2.76Å; K190-T192 VanDerWaalsContact O-N 3.08Å; K190-K193 HydrophobicContact CB-CB 4.21Å; K190-K193 HydrophobicContact CB-CG 3.81Å; K190-K193 HydrophobicContact CD-CG 4.36Å; K190-K193 WeakPolarHBondContact O-CB 3.38Å; K190-K193 PolarHBondContact O-N 2.83Å; K190-S196 PolarHBondContact O-OG 2.88Å
191K97.1Very high97.8Very high88 Ų8853.8 Ų53.838%0.38326%0.258SS..THydrogen-bonded Turntrans-52.7-29.2178171.7168.3179.9177.30114.8F152 I158 F174 K193 H197F152-K191 HydrophobicContact CD2-CD 4.17Å; F152-K191 HydrophobicContact CD2-CG 3.72Å; F152-K191 HydrophobicContact CE2-CG 3.96Å; F152-K191 HydrophobicContact CG-CG 4.38Å; I158-K191 HydrophobicContact CD1-CB 4.18Å; I158-K191 HydrophobicContact CD1-CD 3.44Å; I158-K191 VanDerWaalsContact CD1-CD 3.44Å; I158-K191 HydrophobicContact CD1-CG 3.49Å; I158-K191 VanDerWaalsContact CD1-CG 3.49Å; F174-K191 HydrophobicContact CE1-CB 4.34Å; F174-K191 HydrophobicContact CE2-CB 3.9Å; F174-K191 HydrophobicContact CZ-CB 3.71Å; F174-K191 HydrophobicContact CZ-CD 4.42Å; F174-K191 HydrophobicContact CZ-CG 4.48Å; K191-K193 VanDerWaalsContact C-N 3.33Å; K191-H197 PolarHBondContact O-NE2 3.04Å
192T96.7Very high97.8Very high99 Ų9957.9 Ų57.961%0.60729%0.285SS*.THydrogen-bonded Turntrans-92.35.7-179.252.80000113.1F152 K190F152-T192 HydrophobicContact CE2-CG2 4.28Å; F152-T192 HydrophobicContact CZ-CG2 4.11Å; K190-T192 PolarHBondContact O-N 2.76Å; K190-T192 VanDerWaalsContact O-N 3.08Å
193K98Very high97.7Very high116 Ų11656.4 Ų56.450%0.50428%0.28SS..SBendtrans-112.8142.4-177.1-66-63.2-174.9-176.20110.4K190 K191 S195 S196 H197K190-K193 HydrophobicContact CB-CB 4.21Å; K190-K193 HydrophobicContact CB-CG 3.81Å; K190-K193 HydrophobicContact CD-CG 4.36Å; K190-K193 WeakPolarHBondContact O-CB 3.38Å; K190-K193 PolarHBondContact O-N 2.83Å; K191-K193 VanDerWaalsContact C-N 3.33Å; K193-S195 PolarHBondContact O-N 3.45Å; K193-S196 PolarHBondContact O-N 2.96Å; K193-S196 PolarHBondContact O-OG 2.74Å; K193-H197 PolarHBondContact O-CD2 3.12Å; K193-H197 PolarHBondContact O-NE2 2.89Å
194P98.1Very high97.6Very high49 Ų4958.9 Ų58.932%0.31829%0.29SS..G310 helixtrans-52.4-26.8178.3-3036.1000114.8Q80 S196 H197Q80-P194 HydrophobicContact CB-CB 4.23Å; Q80-P194 HydrophobicContact CG-CB 4.09Å; P194-S196 PolarHBondContact O-N 2.75Å; P194-S196 VanDerWaalsContact O-N 3.13Å; P194-H197 PolarHBondContact O-N 3.01Å; P194-H197 VanDerWaalsContact O-N 3.1Å
195S98.2Very high97.5Very high10 Ų1061 Ų617%0.0731%0.306CS..G310 helixtrans-57.4-27.1176.953.90000114.2G176 L177 M184 K193G176-S195 CarbonylContact C-O 3.57Å; G176-S195 WeakPolarHBondContact CA-O 3.17Å; L177-S195 PolarHBondContact N-O 3.14Å; L177-S195 WeakPolarHBondContact O-CA 3.46Å; L177-S195 WeakPolarHBondContact O-CB 3.35Å; M184-S195 VanDerWaalsContact SD-CB 3.52Å; K193-S195 PolarHBondContact O-N 3.45Å
196S98.3Very high97.3Very high0 Ų060.1 Ų60.10%031%0.305CS..G310 helixtrans-93.8-7.9-179.571.90000114.5I158 V189 K190 K193 P194 F198I158-S196 WeakPolarHBondContact CG2-O 3.47Å; V189-S196 VanDerWaalsContact CG1-CB 3.45Å; K190-S196 PolarHBondContact O-OG 2.88Å; K193-S196 PolarHBondContact O-N 2.96Å; K193-S196 PolarHBondContact O-OG 2.74Å; P194-S196 PolarHBondContact O-N 2.75Å; P194-S196 VanDerWaalsContact O-N 3.13Å; S196-F198 WeakPolarHBondContact O-CD2 3.45Å
197H98.6Very high97.1Very high6 Ų665.4 Ų65.43%0.02833%0.331CS..  trans-94.5122.7-166.9-63.8172.4000111S79 Q80 F152 Y156 K191 K193 P194S79-H197 WeakPolarHBondContact CA-O 3.3Å; Q80-H197 HydrophobicContact CB-CB 3.85Å; Q80-H197 PolarHBondContact N-O 3.46Å; Q80-H197 PolarHBondContact OE1-ND1 3.45Å; F152-H197 AromaticContact CD1-CD2 3.85Å; F152-H197 AromaticContact CD1-CE1 3.44Å; F152-H197 VanDerWaalsContact CD1-CE1 3.44Å; F152-H197 WeakPolarHBondContact CD1-CE1 3.47Å; F152-H197 AromaticContact CD1-NE2 3.16Å; F152-H197 WeakPolarHBondContact CD1-NE2 3.42Å; F152-H197 AromaticContact CE1-CE1 3.39Å; F152-H197 WeakPolarHBondContact CE1-CE1 3.49Å; F152-H197 AromaticContact CE1-NE2 3.36Å; F152-H197 WeakPolarHBondContact CE1-NE2 3.46Å; Y156-H197 HydrophobicContact CD1-CB 3.7Å; Y156-H197 HydrophobicContact CD2-CB 4.12Å; Y156-H197 AromaticContact CD2-CG 3.86Å; Y156-H197 AromaticContact CD2-ND1 3.54Å; Y156-H197 HydrophobicContact CE1-CB 4.26Å; Y156-H197 AromaticContact CE2-ND1 3.83Å; Y156-H197 HydrophobicContact CG-CB 3.61Å; Y156-H197 AromaticContact CG-CG 3.8Å; Y156-H197 AromaticContact CG-ND1 3.95Å; K191-H197 PolarHBondContact O-NE2 3.04Å; K193-H197 PolarHBondContact O-CD2 3.12Å; K193-H197 PolarHBondContact O-NE2 2.89Å; P194-H197 PolarHBondContact O-N 3.01Å; P194-H197 VanDerWaalsContact O-N 3.1Å
198F98.6Very high96.7Very high0 Ų064.7 Ų64.70%033%0.325CS..EExtended strand (participates in β ladder)trans-123.4152.1175.6-65.1-92000111L77 F78 L85 V157 Y159 L175 L177 S196L77-F198 HydrophobicContact CB-CD1 4.03Å; F78-F198 CarbonylContact O-C 3.57Å; F78-F198 VanDerWaalsContact O-CA 3.28Å; F78-F198 WeakPolarHBondContact O-CA 3.41Å; L85-F198 HydrophobicContact CB-CE1 4.47Å; V157-F198 PolarHBondContact N-O 2.94Å; V157-F198 PolarHBondContact O-N 3.01Å; Y159-F198 HydrophobicContact CD2-CD2 4.18Å; Y159-F198 HydrophobicContact CE2-CB 4.15Å; Y159-F198 HydrophobicContact CE2-CD2 4.43Å; Y159-F198 HydrophobicContact CE2-CG 4.42Å; L175-F198 HydrophobicContact CD2-CD2 4.25Å; L175-F198 HydrophobicContact CD2-CE1 4.4Å; L175-F198 HydrophobicContact CD2-CE2 3.62Å; L175-F198 HydrophobicContact CD2-CZ 3.69Å; L175-F198 HydrophobicContact CG-CE2 4.32Å; L175-F198 HydrophobicContact CG-CZ 4.36Å; L177-F198 HydrophobicContact CD1-CE1 4.43Å; L177-F198 HydrophobicContact CG-CZ 4.37Å; S196-F198 WeakPolarHBondContact O-CD2 3.45Å
199V98Very high96.3Very high41 Ų4163.8 Ų63.825%0.24832%0.322CS..EExtended strand (participates in β ladder)trans-119.1106.9169.3-179.10000106.6F78 Y155 Y156 K201F78-V199 PolarHBondContact N-O 3.32Å; F78-V199 PolarHBondContact O-N 2.76Å; Y155-V199 HydrophobicContact CE1-CG2 4.22Å; Y156-V199 HydrophobicContact CD1-CG2 3.9Å; Y156-V199 HydrophobicContact CE1-CG2 4.08Å; V199-K201 PolarHBondContact O-N 2.83Å
200P97.4Very high95.8Very high35 Ų3569 Ų6923%0.22735%0.346CS..EExtended strand (participates in β ladder)trans-61.6131.1171.3-21.633.9000110L77 V157 P202L77-P200 HydrophobicContact CD2-CB 4.05Å; L77-P200 HydrophobicContact CD2-CG 4.03Å; V157-P200 HydrophobicContact CB-CG 4.23Å; V157-P200 HydrophobicContact CG2-CG 3.88Å; P200-P202 WeakPolarHBondContact O-CD 3.26Å
201K96.9Very high95.4Very high81 Ų8164.8 Ų64.835%0.35233%0.33SS..EExtended strand (participates in β ladder)trans-11188.9169.1-64.6-165-172.8-174.10108.5T75 R76 F84 E99 V199T75-K201 WeakPolarHBondContact CA-O 3.41Å; T75-K201 PolarHBondContact OG1-N 3.23Å; T75-K201 PolarHBondContact OG1-O 2.97Å; R76-K201 HydrophobicContact CB-CB 4.43Å; R76-K201 PolarHBondContact N-O 3.45Å; R76-K201 PolarHBondContact O-N 2.99Å; F84-K201 HydrophobicContact CE1-CD 4.08Å; E99-K201 IonicContact OE1-NZ 3.57Å; E99-K201 PolarHBondContact OE1-NZ 3.21Å; V199-K201 PolarHBondContact O-N 2.83Å
202P96.5Very high94.9Very high89 Ų8964.6 Ų64.658%0.57834%0.34SS*.EExtended strand (participates in β ladder)trans-61.6142.7179.3-20.933000111.2I73 P200I73-P202 HydrophobicContact CD1-CB 4.07Å; I73-P202 HydrophobicContact CD1-CG 4Å; P200-P202 WeakPolarHBondContact O-CD 3.26Å
203I96Very high94.6Very high87 Ų8764.4 Ų64.445%0.44633%0.334SS..EExtended strand (participates in β ladder)trans-109.8-56.8176.4-61171.4000108.8V74 R76 L105V74-I203 HydrophobicContact CG1-CD1 4.48Å; V74-I203 PolarHBondContact O-N 3.09Å; R76-I203 HydrophobicContact CG-CD1 4.24Å; R76-I203 VanDerWaalsContact NH1-CD1 3.27Å; L105-I203 HydrophobicContact CD2-CD1 3.24Å
204E95.7Very high93.7Very high111 Ų11163.4 Ų63.452%0.51933%0.331SS..EExtended strand (participates in β ladder)trans-145.2163.2-178.660.1174.5-172.600111.9I73 V74I73-E204 CarbonylContact C-O 3.4Å; I73-E204 VanDerWaalsContact CA-O 3.25Å; I73-E204 WeakPolarHBondContact CA-O 3.45Å; I73-E204 WeakPolarHBondContact CB-O 3.49Å; V74-E204 HydrophobicContact CB-CG 3.8Å; V74-E204 HydrophobicContact CG2-CG 3.89Å; V74-E204 PolarHBondContact N-O 3.29Å; V74-E204 PolarHBondContact O-N 2.9Å
205V96.5Very high93.1Very high90 Ų9069.9 Ų69.955%0.54536%0.357SS..EExtended strand (participates in β ladder)trans-104.1129.3178.4175.90000108.4K71 I73K71-V205 HydrophobicContact CD-CG1 4.25Å; K71-V205 HydrophobicContact CG-CG1 3.83Å; I73-V205 HydrophobicContact CG2-CG2 4.07Å
206C93.7Very high92Very high30 Ų3073.1 Ų73.120%0.20337%0.373CS..EExtended strand (participates in β ladder)trans-131.1154.6-176.7-57.40000111.6G72 Y208G72-C206 PolarHBondContact N-O 2.97Å; G72-C206 PolarHBondContact O-N 3.26Å; C206-Y208 HydrophobicContact CB-CE1 4.38Å; C206-Y208 HydrophobicContact CB-CE2 3.97Å
207M93.3Very high90.2Very high111 Ų11176 Ų7655%0.54740%0.403SS..EExtended strand (participates in β ladder)trans-96.3119.6171.3-65.2-59.4-178.900109.1Q69 K71Q69-M207 HydrophobicContact CB-CB 4.29Å; Q69-M207 HydrophobicContact CB-SD 4.44Å; K71-M207 HydrophobicContact CB-CE 4.29Å; K71-M207 HydrophobicContact CB-SD 3.86Å; K71-M207 HydrophobicContact CD-CE 4.42Å; K71-M207 HydrophobicContact CG-CE 4.18Å; K71-M207 HydrophobicContact CG-SD 4.17Å
208Y90.4Very high87.9Confident29 Ų2984.6 Ų84.611%0.11444%0.443CS..EExtended strand (participates in β ladder)trans-103.2146.8176.9-60.6-76.5000110.4Q69 L70 I73 V74 N107 I109 C206Q69-Y208 CarbonylContact C-O 3.54Å; Q69-Y208 WeakPolarHBondContact CA-O 3.38Å; L70-Y208 PolarHBondContact N-O 2.7Å; L70-Y208 PolarHBondContact O-N 3.21Å; I73-Y208 PolarHBondContact O-OH 2.99Å; V74-Y208 WeakPolarHBondContact CG2-OH 3Å; N107-Y208 HydrophobicContact CB-CE1 3.72Å; N107-Y208 WeakPolarHBondContact CB-OH 3.28Å; N107-Y208 PolarHBondContact OD1-OH 2.87Å; I109-Y208 HydrophobicContact CB-CD2 4.44Å; I109-Y208 HydrophobicContact CD1-CD1 4.01Å; I109-Y208 HydrophobicContact CD1-CD2 4.5Å; I109-Y208 HydrophobicContact CD1-CE1 4.5Å; I109-Y208 HydrophobicContact CD1-CG 4Å; I109-Y208 HydrophobicContact CG1-CD1 4.15Å; I109-Y208 HydrophobicContact CG1-CD2 3.82Å; I109-Y208 HydrophobicContact CG1-CE1 4.43Å; I109-Y208 HydrophobicContact CG1-CE2 4.11Å; I109-Y208 HydrophobicContact CG1-CG 3.83Å; I109-Y208 HydrophobicContact CG2-CD2 4.31Å; I109-Y208 HydrophobicContact CG2-CG 4.31Å; C206-Y208 HydrophobicContact CB-CE1 4.38Å; C206-Y208 HydrophobicContact CB-CE2 3.97Å
209R89.1Confident85.3Confident162 Ų16294.2 Ų94.261%0.61149%0.485SS*.EExtended strand (participates in β ladder)trans-67.5142.2165.1-171.9-176.3177.4123.614108.7E67 P211E67-R209 IonicContact OE1-CZ 3.46Å; E67-R209 VanDerWaalsContact OE1-CZ 3.24Å; E67-R209 IonicContact OE1-NH1 3.98Å; E67-R209 PolarHBondContact OE1-NH1 3.08Å; E67-R209 IonicContact OE1-NH2 2.94Å; E67-R209 PolarHBondContact OE1-NH2 3.48Å; E67-R209 IonicContact OE2-CZ 3.31Å; E67-R209 IonicContact OE2-NE 2.74Å; E67-R209 IonicContact OE2-NH1 3.01Å; E67-R209 PolarHBondContact OE2-NH1 3.01Å; E67-R209 IonicContact OE2-NH2 2.85Å; E67-R209 PolarHBondContact OE2-NH2 3.38Å; R209-P211 WeakPolarHBondContact O-CD 2.97Å
210E87.9Confident82.5Confident108 Ų108101.8 Ų101.851%0.50552%0.518SS..PPolyproline II helixtrans-59.6122.4169.8-173.1169.5-171.300110.3P68 L70P68-E210 HydrophobicContact CG-CB 4.41Å; P68-E210 WeakPolarHBondContact CG-OE2 3.37Å; L70-E210 HydrophobicContact CD1-CB 4.16Å; L70-E210 HydrophobicContact CD1-CG 4.25Å; L70-E210 HydrophobicContact CG-CB 4.43Å
211P89.1Confident79.3Confident18 Ų18103.3 Ų103.312%0.11754%0.54CS..PPolyproline II helixtrans-73137.7-176.229.4-35000111.3V111 F141 R209 L213V111-P211 HydrophobicContact CG1-CG 3.96Å; F141-P211 HydrophobicContact CB-CB 3.84Å; F141-P211 HydrophobicContact CD1-CB 3.61Å; F141-P211 HydrophobicContact CD1-CG 3.57Å; F141-P211 HydrophobicContact CD2-CB 4.3Å; F141-P211 HydrophobicContact CD2-CG 4.22Å; F141-P211 HydrophobicContact CE1-CB 4.2Å; F141-P211 HydrophobicContact CE1-CG 3.63Å; F141-P211 HydrophobicContact CE2-CG 4.3Å; F141-P211 HydrophobicContact CG-CB 3.65Å; F141-P211 HydrophobicContact CG-CG 3.88Å; F141-P211 HydrophobicContact CZ-CG 4Å; R209-P211 WeakPolarHBondContact O-CD 2.97Å; P211-L213 PolarHBondContact O-N 3.32Å
212S86.9Confident76.2Confident85 Ų85109.1 Ų109.159%0.59456%0.559SS**  trans-67.3114.5177.1-59.50000110.3H214S212-H214 PolarHBondContact O-CE1 2.63Å; S212-H214 PolarHBondContact O-N 3.19Å; S212-H214 PolarHBondContact O-ND1 3.48Å
213L90.4Very high73.3Confident95 Ų95110.7 Ų110.750%0.49757%0.572SS.*PPolyproline II helixtrans-73.3116.7178.7-173.966.1000110.4F141 P143 P211F141-L213 HydrophobicContact CD1-CB 4.44Å; F141-L213 HydrophobicContact CD1-CD1 3.99Å; F141-L213 HydrophobicContact CE1-CD1 3.8Å; P143-L213 HydrophobicContact CG-CD1 3.96Å; P211-L213 PolarHBondContact O-N 3.32Å
214H79.2Confident70.6Confident94 Ų94116.2 Ų116.244%0.43559%0.587SS.*PPolyproline II helixtrans-99.1137.6173.8-63.868.9000110.1V140 F141 P143 S212V140-H214 HydrophobicContact CG1-CB 3.47Å; V140-H214 VanDerWaalsContact CG1-CB 3.47Å; V140-H214 WeakPolarHBondContact CG1-ND1 3.46Å; F141-H214 PolarHBondContact O-N 3.11Å; P143-H214 WeakPolarHBondContact CD-O 3.16Å; S212-H214 PolarHBondContact O-CE1 2.63Å; S212-H214 PolarHBondContact O-N 3.19Å; S212-H214 PolarHBondContact O-ND1 3.48Å
215E84Confident67.6Low186 Ų186120.3 Ų120.387%0.86960%0.604SS**PPolyproline II helixtrans-69.1140174.1-65.5-175.517000110G217E215-G217 PolarHBondContact O-N 3.14Å
216I76.4Confident64.8Low77 Ų77121.3 Ų121.340%0.39562%0.615SS.*  trans-69.5107.3171.7-56.2159.1000105.1P143 E144 L163 E218P143-I216 HydrophobicContact CB-CD1 4.27Å; P143-I216 HydrophobicContact CG-CD1 4.45Å; E144-I216 HydrophobicContact CG-CD1 3.53Å; E144-I216 HydrophobicContact CG-CG1 4.25Å; L163-I216 HydrophobicContact CD1-CD1 4.21Å; I216-E218 PolarHBondContact O-N 3.34Å; I216-E218 VanDerWaalsContact O-N 3.12Å
217G60.1Low62.1Low61 Ų61125.2 Ų125.263%0.62964%0.642SS**  trans-54.2122.817400000108.6E215 K219E215-G217 PolarHBondContact O-N 3.14Å; G217-K219 VanDerWaalsContact C-N 3.31Å; G217-K219 PolarHBondContact O-N 3.46Å
218E49.7Very low59.4Low187 Ų187123.4 Ų123.487%0.87465%0.652SS**  trans-54.1101.4168.4-67.5-175.9157.400106.5I216 Q220I216-E218 PolarHBondContact O-N 3.34Å; I216-E218 VanDerWaalsContact O-N 3.12Å; E218-Q220 PolarHBondContact O-N 2.94Å
219K45.3Very low56.9Low202 Ų202127.9 Ų127.988%0.87868%0.682SS**  trans-50.5111.6169.3-81.3-175.6177.2179.10105.6G217 G221G217-K219 VanDerWaalsContact C-N 3.31Å; G217-K219 PolarHBondContact O-N 3.46Å; K219-G221 VanDerWaalsContact C-N 3.25Å; K219-G221 WeakPolarHBondContact O-CA 3.46Å; K219-G221 PolarHBondContact O-N 3.2Å
220Q38.1Very low54.7Low200 Ų200125.5 Ų125.594%0.93569%0.688SS**  trans-33.683.9-173.1-70.2171.7-1.200112.5E218 R222E218-Q220 PolarHBondContact O-N 2.94Å; Q220-R222 PolarHBondContact O-N 2.91Å
221G30.7Very low52.4Low67 Ų67126.4 Ų126.469%0.69170%0.701SS**  trans-101.174.4-174.400000108K219K219-G221 VanDerWaalsContact C-N 3.25Å; K219-G221 WeakPolarHBondContact O-CA 3.46Å; K219-G221 PolarHBondContact O-N 3.2Å
222R32.2Very low49.8Very low203 Ų203134.2 Ų134.277%0.76674%0.738SS**  trans56.598.8173.2-64.5174.7172.9172.3-3.4113.4Q220 R224Q220-R222 PolarHBondContact O-N 2.91Å; R222-R224 HydrophobicContact CB-CG 4.45Å; R222-R224 PolarHBondContact O-N 3.4Å
223S33.7Very low47.2Very low121 Ų121137.7 Ų137.785%0.84675%0.75SS**  trans-54.782.1142.3-179.30000108.4K225S223-K225 VanDerWaalsContact C-N 3.34Å; S223-K225 PolarHBondContact O-N 2.94Å
224R39.7Very low44.3Very low203 Ų203137.3 Ų137.377%0.76677%0.769SS**  trans-72.5103.3156.7-87.5-177168.8170.1-3.9103.9R222 S226R222-R224 HydrophobicContact CB-CG 4.45Å; R222-R224 PolarHBondContact O-N 3.4Å; R224-S226 PolarHBondContact O-N 3.24Å
225K34Very low42.2Very low198 Ų198136.5 Ų136.586%0.86179%0.786SS**  trans-42.394.5154.8-67.4175.2176.81790107.9S223 S227S223-K225 VanDerWaalsContact C-N 3.34Å; S223-K225 PolarHBondContact O-N 2.94Å; K225-S227 PolarHBondContact O-N 3.27Å
226S36.6Very low39.6Very low111 Ų111137.3 Ų137.378%0.77679%0.787SS**  trans-82.299.2155.869.30000104.9R224 G228R224-S226 PolarHBondContact O-N 3.24Å; S226-G228 VanDerWaalsContact C-N 3.33Å; S226-G228 PolarHBondContact O-N 2.74Å
227S38.4Very low37.9Very low111 Ų111139.9 Ų139.978%0.77681%0.806SS**  trans-37.895.7159.150.20000110.8K225 T229K225-S227 PolarHBondContact O-N 3.27Å; S227-T229 PolarHBondContact O-N 2.84Å
228G36.3Very low36.7Very low73 Ų73142.1 Ų142.175%0.75381%0.807SS**  trans-79.8104160.200000107S226S226-G228 VanDerWaalsContact C-N 3.33Å; S226-G228 PolarHBondContact O-N 2.74Å
229T36.8Very low36Very low123 Ų123139.9 Ų139.976%0.75580%0.801SS**  trans-46.6129.8174.5-39.60000110.5S227 T231S227-T229 PolarHBondContact O-N 2.84Å; T229-T231 PolarHBondContact O-N 2.97Å
230P42.8Very low35.5Very low113 Ų113138.4 Ų138.473%0.73480%0.797SS**  trans-66.5120.4178.725.8-30.8000109.5M232P230-M232 PolarHBondContact O-N 3.37Å
231T40.3Very low35.4Very low126 Ų126135.6 Ų135.677%0.77379%0.789SS**  trans-59.8115.1170.138.40000109.9T229 N233T229-T231 PolarHBondContact O-N 2.97Å; T231-N233 PolarHBondContact O-N 3.26Å; T231-N233 VanDerWaalsContact O-N 3.1Å
232M33.5Very low35.8Very low183 Ų183137.6 Ų137.690%0.90179%0.792SS**  trans-64.4101.2170.3-66.9-73.9-76.900109.1P230P230-M232 PolarHBondContact O-N 3.37Å
233N33.5Very low36.2Very low158 Ų158138.4 Ų138.485%0.84582%0.82SS**  trans-135.6100.4169.8-91.6-19000108.4T231T231-N233 PolarHBondContact O-N 3.26Å; T231-N233 VanDerWaalsContact O-N 3.1Å
234G29.3Very low36.4Very low86 Ų86139.3 Ų139.389%0.88782%0.818SS**  trans161.7102.8167.600000112.8
235G34Very low36.2Very low77 Ų77135.9 Ų135.979%0.79482%0.821SS**  trans147.667163.600000114.4
236K31.3Very low36.3Very low204 Ų204132.5 Ų132.589%0.88782%0.819SS**  trans-90.5111.8164.3-167.5-177.2-174.4-176.60107.3
237V40.7Very low36.3Very low131 Ų131133.8 Ų133.879%0.79482%0.821SS**  trans-145.198.9169-171.20000104.7
238V33.2Very low36.2Very low107 Ų107135.2 Ų135.265%0.64882%0.824SS**  54.2120.180.4174.60000110
239N36.8Very low36.2Very low140 Ų140139.3 Ų139.375%0.74983%0.829SS**  cis-146.6144.217.9-84.8-43.3000106.9
240Q33.7Very low36.1Very low172 Ų172140.5 Ų140.580%0.80483%0.834SS**  44.8131.286.6-73.5-171.813.400117.8
241D35.8Very low35.6Very low141 Ų141142.6 Ų142.675%0.75484%0.842SS**  trans97.599.3164.3-58.6-33.7000117.6
242S38.6Very low35.2Very low109 Ų109144 Ų14476%0.76285%0.848SS**  93.7115.370.6-71.10000110
243T42.1Very low35.4Very low220 Ų220140.5 Ų140.5100%1.3584%0.843SS**  trans-41.6017132.60000115.2

Retrieved 243 of 243 residues in 58.1 ms (Link to these results)