FGF14_HUMAN Loading...

Fibroblast growth factor 14

Probably involved in nervous system development and function.

AlphaFold DB , UniProt , Accession Q92915, Species HUMAN (Homo sapiens, Human), Gene FGF14, Length 247 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
1M51.9Low57.8Low228 Ų22897.9 Ų97.9100%1.12358%0.58SS**  0-26.80-131.8171.8-105.200114.1A3M1-A3 PolarHBondContact O-N 3.46Å
2A49.2Very low58.6Low86 Ų86101.1 Ų101.171%0.71159%0.585SS**THydrogen-bonded Turntrans-71.1-26.2-178.300000116.2A4A2-A4 VanDerWaalsContact C-N 3.29Å; A2-A4 PolarHBondContact O-N 3.25Å
3A52.9Low59.1Low67 Ų67104.7 Ų104.755%0.55459%0.589SS**Hα-helixtrans-68.5-22.7-177.600000114.5M1 S7M1-A3 PolarHBondContact O-N 3.46Å; A3-S7 PolarHBondContact O-OG 3.21Å
4A58.9Low59.5Low74 Ų74110.2 Ų110.261%0.61260%0.596SS**Hα-helixtrans-72-34.8-177.600000112.9A2 S7A2-A4 VanDerWaalsContact C-N 3.29Å; A2-A4 PolarHBondContact O-N 3.25Å; A4-S7 PolarHBondContact O-N 3.25Å
5I56.8Low60Low131 Ų131110.9 Ų110.967%0.67259%0.594SS**Hα-helixtrans-73.7-36.4-176.1-58.9176.6000111.3S7I5-S7 PolarHBondContact O-N 3.37Å
6A55.1Low59.9Low48 Ų48108.1 Ų108.140%0.39759%0.591SS.*Hα-helixtrans-68.7-22.7177.100000113.3I10A6-I10 WeakPolarHBondContact O-CD1 3.21Å; A6-I10 WeakPolarHBondContact O-CG1 3.37Å
7S58.5Low59.9Low34 Ų34112.2 Ų112.224%0.23860%0.596CS.*Hα-helixtrans-78.6-31.6-177.9-57.70000112.7A3 A4 I5A3-S7 PolarHBondContact O-OG 3.21Å; A4-S7 PolarHBondContact O-N 3.25Å; I5-S7 PolarHBondContact O-N 3.37Å
8G62.3Low59.8Low41 Ų41113.6 Ų113.642%0.42360%0.599SS.*Hα-helixtrans-68.6-43.7178.600000113.6I10 R11 Q12G8-I10 PolarHBondContact O-N 2.99Å; G8-R11 PolarHBondContact O-N 3.49Å; G8-Q12 PolarHBondContact O-N 3.22Å
9L61.9Low59.7Low119 Ų119116.8 Ų116.862%0.62361%0.61SS**Hα-helixtrans-63.7-25.8-179.9-94.7144.7000113.7K13L9-K13 PolarHBondContact O-N 2.71Å
10I61.3Low59.2Low68 Ų68116.9 Ų116.935%0.34961%0.607SS.*Hα-helixtrans-75.1-33.2178.3-62.9168.5000111.4A6 G8 R14A6-I10 WeakPolarHBondContact O-CD1 3.21Å; A6-I10 WeakPolarHBondContact O-CG1 3.37Å; G8-I10 PolarHBondContact O-N 2.99Å; I10-R14 PolarHBondContact O-N 2.91Å
11R67.2Low58.6Low181 Ų181120.2 Ų120.268%0.68361%0.612SS**Hα-helixtrans-70.6-44.9177.8-79.6-176.3-177.5-118.91.6111.8G8 K13 R14 Q15G8-R11 PolarHBondContact O-N 3.49Å; R11-K13 VanDerWaalsContact C-N 3.33Å; R11-K13 PolarHBondContact O-N 2.86Å; R11-R14 PolarHBondContact O-N 2.78Å; R11-Q15 WeakPolarHBondContact O-CG 3.42Å; R11-Q15 PolarHBondContact O-N 2.82Å; R11-Q15 VanDerWaalsContact O-N 3.09Å
12Q66.8Low58.3Low136 Ų136116.9 Ų116.964%0.63660%0.599SS**Hα-helixtrans-61.8-39.6179.1-77.6-176.3-28.100112.4G8 R14 Q15 A16G8-Q12 PolarHBondContact O-N 3.22Å; Q12-R14 VanDerWaalsContact C-N 3.34Å; Q12-R14 PolarHBondContact O-N 3.22Å; Q12-Q15 PolarHBondContact O-N 2.76Å; Q12-A16 PolarHBondContact O-N 2.91Å; Q12-A16 VanDerWaalsContact O-N 3.09Å
13K64.9Low58.1Low148 Ų148122.4 Ų122.464%0.64360%0.601SS**Hα-helixtrans-73.5-22.1-179.5-158169.4-176.3174.10113.8L9 R11L9-K13 PolarHBondContact O-N 2.71Å; R11-K13 VanDerWaalsContact C-N 3.33Å; R11-K13 PolarHBondContact O-N 2.86Å
14R65.2Low57.8Low182 Ų182124.7 Ų124.769%0.68761%0.61SS**Hα-helixtrans-78.2-44.2170.9-86.6-174.5175.2-170.8-4111.9I10 R11 Q12 A16 R17 E18I10-R14 PolarHBondContact O-N 2.91Å; R11-R14 PolarHBondContact O-N 2.78Å; Q12-R14 VanDerWaalsContact C-N 3.34Å; Q12-R14 PolarHBondContact O-N 3.22Å; R14-A16 VanDerWaalsContact C-N 3.31Å; R14-A16 PolarHBondContact O-N 3.13Å; R14-R17 PolarHBondContact O-N 2.91Å; R14-E18 PolarHBondContact O-N 2.79Å; R14-E18 VanDerWaalsContact O-N 3.11Å
15Q67.6Low57Low120 Ų120126.7 Ų126.756%0.56162%0.619SS**Hα-helixtrans-62-37.9177.9-71.5175.5-29.500112.3R11 Q12 R17 E18 Q19R11-Q15 WeakPolarHBondContact O-CG 3.42Å; R11-Q15 PolarHBondContact O-N 2.82Å; R11-Q15 VanDerWaalsContact O-N 3.09Å; Q12-Q15 PolarHBondContact O-N 2.76Å; Q15-R17 PolarHBondContact O-N 2.8Å; Q15-E18 PolarHBondContact O-N 3.49Å; Q15-Q19 PolarHBondContact O-N 3.25Å
16A58.5Low56.6Low67 Ų67124.9 Ų124.955%0.55462%0.624SS**Hα-helixtrans-67.6-20.5175.300000114.2Q12 R14Q12-A16 PolarHBondContact O-N 2.91Å; Q12-A16 VanDerWaalsContact O-N 3.09Å; R14-A16 VanDerWaalsContact C-N 3.31Å; R14-A16 PolarHBondContact O-N 3.13Å
17R58.7Low56.1Low177 Ų177127.6 Ų127.667%0.66864%0.64SS**Hα-helixtrans-92.4-27.2179.2-152.3177.7-173-127.41.9112.3R14 Q15R14-R17 PolarHBondContact O-N 2.91Å; Q15-R17 PolarHBondContact O-N 2.8Å
18E58.8Low55.6Low138 Ų138136.4 Ų136.465%0.64567%0.668SS**Hα-helixtrans-75.1-29.7174.8-72177.3-176.600112R14 Q15 H20R14-E18 PolarHBondContact O-N 2.79Å; R14-E18 VanDerWaalsContact O-N 3.11Å; Q15-E18 PolarHBondContact O-N 3.49Å; E18-H20 PolarHBondContact O-N 3.01Å
19Q57.6Low54.6Low174 Ų174146.4 Ų146.481%0.81369%0.693SS**THydrogen-bonded Turntrans-71.4-7.6174.3-71.8-172.2-8.500115Q15Q15-Q19 PolarHBondContact O-N 3.25Å
20H50.4Low54Low118 Ų118152 Ų15255%0.54671%0.706SS.*THydrogen-bonded Turntrans-110.99.4-176.6-164.2-86.6000113.5E18E18-H20 PolarHBondContact O-N 3.01Å
21W46Very low53.2Low188 Ų188154.2 Ų154.271%0.71273%0.728SS**SBendtrans-85.1-8.1-179.5-85.6136.6000116.1R23W21-R23 PolarHBondContact O-N 3.32Å
22D44.8Very low52.2Low158 Ų158151.2 Ų151.285%0.84573%0.734SS**  trans-100.440.9178.7-66.3-43.6000113.8
23R46.9Very low52Low201 Ų201151 Ų15176%0.75875%0.745SS**  trans-114.5106.5173-134.9175.8-171.2173.42.6111.7W21 S25W21-R23 PolarHBondContact O-N 3.32Å; R23-S25 PolarHBondContact O-N 2.84Å
24P44.7Very low51Low116 Ų116149 Ų14975%0.75375%0.749SS**  trans-66136.1177.525.7-31.2000110.6A26P24-A26 PolarHBondContact O-N 2.88Å; P24-A26 VanDerWaalsContact O-N 3.11Å
25S42.6Very low50.4Low115 Ų115149.3 Ų149.380%0.80476%0.755SS**  trans-56108.9174.9144.30000110.7R23 S27R23-S25 PolarHBondContact O-N 2.84Å; S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact O-N 3.08Å
26A48.7Very low49.5Very low93 Ų93150.5 Ų150.577%0.76977%0.766SS**  trans-76.284.3171.400000110.4P24 R28P24-A26 PolarHBondContact O-N 2.88Å; P24-A26 VanDerWaalsContact O-N 3.11Å; A26-R28 PolarHBondContact O-N 2.87Å; A26-R28 VanDerWaalsContact O-N 3.08Å
27S44.2Very low48.8Very low105 Ų105158.9 Ų158.973%0.73478%0.783SS**  trans-66.594.5156.6158.20000108.5S25S25-S27 VanDerWaalsContact C-N 3.32Å; S25-S27 PolarHBondContact O-N 3.08Å
28R47.6Very low48Very low220 Ų220153.7 Ų153.783%0.8378%0.784SS**  trans-132.191.8158.9-72.1-167.6-154.8-176.38.2109.8A26 R30A26-R28 PolarHBondContact O-N 2.87Å; A26-R28 VanDerWaalsContact O-N 3.08Å; R28-R30 PolarHBondContact O-N 3.29Å; R28-R30 VanDerWaalsContact O-N 3.13Å
29R43.3Very low47.3Very low251 Ų251155.6 Ų155.695%0.94780%0.798SS**  trans-59.8107.1154.2-70.5-176-173.6-178.82.5107
30R48.2Very low46.7Very low237 Ų237153.2 Ų153.289%0.89480%0.799SS**  trans-83.9115.8167.8-93-178.4168.8176.6-3.3108.2R28R28-R30 PolarHBondContact O-N 3.29Å; R28-R30 VanDerWaalsContact O-N 3.13Å
31S45.6Very low46.2Very low114 Ų114156 Ų15680%0.79782%0.818SS**PPolyproline II helixtrans-70.7132.2168.449.70000110.6
32S46.3Very low46.3Very low118 Ų118150.3 Ų150.383%0.82582%0.818SS**PPolyproline II helixtrans-66.6138.4177-40.10000111.8
33P62.1Low46Very low132 Ų132150.4 Ų150.486%0.85782%0.818SS**PPolyproline II helixtrans-79.2130.6173.7-925.8000112.1
34S44Very low46Very low105 Ų105148.1 Ų148.173%0.73482%0.82SS**PPolyproline II helixtrans-84.3150167.268.20000112
35K51.2Low46.4Very low188 Ų188148.3 Ų148.382%0.81782%0.819SS**  trans124.8133.3167.6-75.9168.9177178.60108.7
36N49.5Very low46.8Very low145 Ų145149.1 Ų149.178%0.77581%0.814SS**  cis-162.3164.318.3-115.9-16.6000110.6
37R44.7Very low47.1Very low244 Ų244150.7 Ų150.792%0.92181%0.809SS**  trans-47.8149.7179.8-63.7165.4-178.9176.5-0.1117.3
38G41.7Very low47.4Very low67 Ų67155.5 Ų155.569%0.69182%0.817SS**  trans168.286.3156.800000109.6
39L43.2Very low47.6Very low179 Ų179149.8 Ų149.894%0.93781%0.81SS**  4787.194.9-78.4167000114.5
40C44.3Very low47.9Very low123 Ų123147.8 Ų147.883%0.83181%0.809SS**  trans-160.2111.5132.949.70000109.9
41N41.3Very low48.1Very low177 Ų177142.5 Ų142.595%0.94780%0.802SS**  trans-70.2130.7160.4-75.9-25.4000107.6
42G47.9Very low48.6Very low68 Ų68148.1 Ų148.170%0.70181%0.806SS**  trans-172.1103.917400000109.7L44G42-L44 PolarHBondContact O-N 2.68Å
43N38.2Very low49.1Very low161 Ų161149.2 Ų149.286%0.86180%0.801SS**  trans-49.4120.9170.2-73-27000110.3
44L47.9Very low48.8Very low153 Ų153151.9 Ų151.980%0.80180%0.8SS**  trans-131.866.4159-136.4165.3000107.4G42 D46G42-L44 PolarHBondContact O-N 2.68Å; L44-D46 WeakPolarHBondContact CD2-O 3.47Å
45V52.2Low49.1Very low119 Ų119150.6 Ų150.672%0.72180%0.803SS**  trans-69.7144145.2-80.20000107
46D50.7Low49.2Very low132 Ų132149 Ų14971%0.70680%0.803SS**  trans95.9137.7176.4-62.6-35.7000118.7L44L44-D46 WeakPolarHBondContact CD2-O 3.47Å
47I54.5Low49.5Very low127 Ų127151.7 Ų151.765%0.65181%0.808SS**  trans85.387.3165-49.4145.8000114
48F51.5Low49.9Very low206 Ų206149.1 Ų149.190%0.90480%0.803SS**  -155.898.4109.5-92.6-68.1000110.4
49S51.8Low50.4Low100 Ų100157.3 Ų157.370%0.69981%0.813SS**  trans-54.8131.3172.3-39.50000112.2V51S49-V51 PolarHBondContact O-N 3.27Å
50K48.3Very low50.9Low209 Ų209160.1 Ų160.191%0.90981%0.811SS**  trans24.881.6145.3-78.9174.4171.3170.80116.3R52K50-R52 PolarHBondContact O-N 3.33Å
51V54.1Low51.6Low126 Ų126161.8 Ų161.876%0.76481%0.811SS**  trans-87.5102.3152.3-175.40000107.6S49 I53S49-V51 PolarHBondContact O-N 3.27Å; V51-I53 HydrophobicContact CG1-CG1 4.1Å; V51-I53 PolarHBondContact O-N 3.44Å
52R55.6Low52.3Low231 Ų231164.4 Ų164.487%0.87281%0.808SS**  trans-68.584.9169.2-163.9178.1-168.6173.12107.2K50 F54K50-R52 PolarHBondContact O-N 3.33Å; R52-F54 PolarHBondContact O-N 3.37Å
53I57.5Low53Low142 Ų142172.6 Ų172.673%0.72882%0.817SS**  trans-63.5109.3170.9-64177000106.4V51 G55V51-I53 HydrophobicContact CG1-CG1 4.1Å; V51-I53 PolarHBondContact O-N 3.44Å; I53-G55 PolarHBondContact O-N 3.4Å
54F55.3Low54.4Low187 Ų187173.3 Ų173.382%0.8282%0.816SS**  trans-40.7130.4173.2-84.5-101.2000110.6R52 L56R52-F54 PolarHBondContact O-N 3.37Å; F54-L56 VanDerWaalsContact C-N 3.32Å; F54-L56 PolarHBondContact O-N 2.98Å
55G49.8Very low55.3Low79 Ų79170.4 Ų170.481%0.81480%0.801SS**  trans-58.192.9177.500000111.1I53 K57I53-G55 PolarHBondContact O-N 3.4Å; G55-K57 PolarHBondContact O-N 3.04Å
56L54.2Low56.1Low154 Ų154168.4 Ų168.481%0.80679%0.791SS**  trans-6391.7153-78.9163000105.9F54 K58F54-L56 VanDerWaalsContact C-N 3.32Å; F54-L56 PolarHBondContact O-N 2.98Å; L56-K58 PolarHBondContact O-N 3.11Å
57K55.5Low57.7Low201 Ų201168.1 Ų168.187%0.87479%0.785SS**  trans-53.587.9150-88.5-179.6174.9176.30105.6G55 R59G55-K57 PolarHBondContact O-N 3.04Å; K57-R59 PolarHBondContact O-N 3.49Å
58K53.2Low59.5Low190 Ų190163.7 Ų163.783%0.82676%0.762SS**  trans-56.794160-86.7-179.8173.8174.70104.5L56 R60L56-K58 PolarHBondContact O-N 3.11Å; K58-R60 PolarHBondContact O-N 2.87Å
59R51.6Low61.5Low240 Ų240161 Ų16191%0.90675%0.75SS**  trans-48.1104.1155.1-81.6179.2147.2167.3-6103.8K57 L61K57-R59 PolarHBondContact O-N 3.49Å; R59-L61 PolarHBondContact O-N 2.96Å
60R52.7Low63.7Low237 Ų237156.4 Ų156.489%0.89472%0.719SS**  trans-58.799.9170.4-71.9-175.9-180-169.51.1103.7K58 R62K58-R60 PolarHBondContact O-N 2.87Å; R60-R62 PolarHBondContact O-N 3.12Å
61L60.8Low66Low159 Ų159148.4 Ų148.483%0.83269%0.686SS**  trans-48.2112.6165.4-17470000103.8R59 R63R59-L61 PolarHBondContact O-N 2.96Å; L61-R63 PolarHBondContact O-N 3.11Å
62R55.9Low68.1Low231 Ų231142.9 Ų142.987%0.87265%0.652SS**  trans-49.3108.6178.2-91.9-172157.8-177-4.9105.1R60 Q64R60-R62 PolarHBondContact O-N 3.12Å; R62-Q64 VanDerWaalsContact C-N 3.31Å; R62-Q64 PolarHBondContact O-N 2.79Å
63R61Low70.1Confident240 Ų240131.9 Ų131.991%0.90661%0.611SS**  trans-60.5105.7173-76.2-173.6169.2176-3.9104L61 D65L61-R63 PolarHBondContact O-N 3.11Å; R63-D65 PolarHBondContact O-N 2.86Å
64Q69Low72.1Confident176 Ų176127.4 Ų127.482%0.82259%0.585SS**PPolyproline II helixtrans-58.9127.6170-74.7-176.6-25.500105.7R62R62-Q64 VanDerWaalsContact C-N 3.31Å; R62-Q64 PolarHBondContact O-N 2.79Å
65D67.2Low74.1Confident92 Ų92118.5 Ų118.549%0.49255%0.546SS..PPolyproline II helixtrans-53.9137.4175.6-74.1-46000108.5R63 Q67 R207R63-D65 PolarHBondContact O-N 2.86Å; D65-Q67 WeakPolarHBondContact O-CG 3.29Å; D65-Q67 PolarHBondContact O-N 2.48Å; D65-R207 IonicContact OD1-NH2 4Å
66P68.8Low76.4Confident78 Ų78118.4 Ų118.451%0.50652%0.521SS..PPolyproline II helixtrans-53.5117.9176.3-23.432.2000109.9E208P66-E208 PolarHBondContact O-N 3.04Å
67Q83.2Confident78.5Confident125 Ų125111 Ų11158%0.58448%0.483SS*.EExtended strand (participates in β ladder)trans-101.5118.7175.1-60.8-172.35.300109.2D65 M205 Y206D65-Q67 WeakPolarHBondContact O-CG 3.29Å; D65-Q67 PolarHBondContact O-N 2.48Å; Q67-M205 HydrophobicContact CB-CE 3.43Å; Q67-M205 VanDerWaalsContact CB-CE 3.43Å; Q67-Y206 CarbonylContact C-O 3.54Å; Q67-Y206 WeakPolarHBondContact CA-O 3.39Å
68L91.9Very high80.6Confident34 Ų34106.8 Ų106.818%0.17846%0.461CS..EExtended strand (participates in β ladder)trans-86.1130.7174.7-59.5174.4000109.3G70 I107 P108 M205 Y206 E208L68-G70 PolarHBondContact O-N 2.79Å; L68-I107 HydrophobicContact CB-CG2 4.36Å; L68-I107 HydrophobicContact CD1-CG2 3.8Å; L68-P108 HydrophobicContact CB-CG 4.36Å; L68-P108 WeakPolarHBondContact CD1-O 3.38Å; L68-M205 WeakPolarHBondContact O-CA 3.49Å; L68-Y206 PolarHBondContact N-O 2.81Å; L68-Y206 PolarHBondContact O-N 3.42Å; L68-E208 HydrophobicContact CD1-CB 4Å; L68-E208 HydrophobicContact CD1-CG 4.12Å; L68-E208 HydrophobicContact CG-CB 4.3Å
69K94.9Very high82.7Confident149 Ų149100 Ų10065%0.64843%0.432SS*.EExtended strand (participates in β ladder)trans-88.698.3176.1-173.3177.3-175.8177.20109.9P108 V203 M205K69-P108 VanDerWaalsContact O-CG 3.32Å; K69-P108 WeakPolarHBondContact O-CG 3.44Å; K69-V203 HydrophobicContact CD-CG1 4.25Å; K69-V203 HydrophobicContact CG-CG1 3.79Å; K69-M205 HydrophobicContact CB-CE 4.28Å; K69-M205 HydrophobicContact CB-SD 3.89Å; K69-M205 HydrophobicContact CG-SD 3.98Å
70G96.5Very high84.9Confident4 Ų489.6 Ų89.64%0.04140%0.4CS..EExtended strand (participates in β ladder)trans-106.2-166.3176.600000112.5L68 L106 A204L68-G70 PolarHBondContact O-N 2.79Å; G70-L106 VanDerWaalsContact CA-O 3.29Å; G70-L106 WeakPolarHBondContact CA-O 3.28Å; G70-A204 PolarHBondContact N-O 3.01Å; G70-A204 PolarHBondContact O-N 2.79Å; G70-A204 VanDerWaalsContact O-N 3.1Å
71I97.6Very high87.1Confident42 Ų4280.2 Ų80.222%0.21537%0.365CS..EExtended strand (participates in β ladder)trans-134148.9175.958.9173.1000110.7T73 L106 P200 E202 V203 Y206I71-T73 HydrophobicContact CD1-CG2 4.18Å; I71-T73 HydrophobicContact CG1-CG2 4.31Å; I71-L106 HydrophobicContact CD1-CB 4.44Å; I71-L106 HydrophobicContact CD1-CD2 4.29Å; I71-L106 HydrophobicContact CG1-CB 3.76Å; I71-L106 HydrophobicContact CG1-CD2 4.45Å; I71-L106 PolarHBondContact N-O 2.85Å; I71-L106 PolarHBondContact O-N 2.98Å; I71-P200 HydrophobicContact CD1-CB 4.17Å; I71-P200 HydrophobicContact CD1-CG 4.03Å; I71-E202 CarbonylContact C-O 3.49Å; I71-E202 WeakPolarHBondContact CA-O 3.36Å; I71-V203 HydrophobicContact CG2-CG2 4.21Å; I71-Y206 PolarHBondContact O-OH 2.78Å
72V98.1Very high88.9Confident10 Ų1073.6 Ų73.66%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-88.6126.1160.3-178.70000106.6L103 F104 V119 L201 E202 A204 Y206V72-L103 HydrophobicContact CG1-CD2 4.29Å; V72-F104 WeakPolarHBondContact CA-O 3.34Å; V72-V119 HydrophobicContact CG1-CG2 4.17Å; V72-L201 HydrophobicContact CG1-CD2 4.44Å; V72-L201 PolarHBondContact O-N 3.38Å; V72-E202 HydrophobicContact CB-CG 3.9Å; V72-E202 HydrophobicContact CG2-CG 3.96Å; V72-E202 PolarHBondContact N-O 2.89Å; V72-E202 PolarHBondContact O-N 3.28Å; V72-A204 HydrophobicContact CG2-CB 4.31Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.33Å
73T98.2Very high90.9Very high0 Ų062.6 Ų62.60%029%0.288CS..EExtended strand (participates in β ladder)trans-148.2155.8-171.8-169.10000111.6I71 L75 F104 L106 K199I71-T73 HydrophobicContact CD1-CG2 4.18Å; I71-T73 HydrophobicContact CG1-CG2 4.31Å; T73-L75 HydrophobicContact CG2-CD2 4.18Å; T73-F104 PolarHBondContact N-O 3.05Å; T73-F104 PolarHBondContact O-N 2.79Å; T73-L106 HydrophobicContact CG2-CB 4.06Å; T73-L106 HydrophobicContact CG2-CD2 4.48Å; T73-K199 PolarHBondContact OG1-N 3.32Å; T73-K199 PolarHBondContact OG1-O 3.49Å; T73-K199 VanDerWaalsContact OG1-O 3.12Å
74R98.1Very high92.7Very high48 Ų4852.2 Ų52.218%0.18125%0.249CC..EExtended strand (participates in β ladder)trans-95.9146.4160.9-62.2-176.9176.281.9-7.4109.5Y82 D97 T102 L103 P198 K199R74-Y82 HydrophobicContact CB-CD1 3.94Å; R74-Y82 HydrophobicContact CB-CE1 4.16Å; R74-D97 VanDerWaalsContact CZ-O 3.27Å; R74-D97 PolarHBondContact NE-O 3.3Å; R74-D97 PolarHBondContact NH2-O 3Å; R74-T102 PolarHBondContact NE-OG1 3.42Å; R74-L103 HydrophobicContact CG-CD2 3.93Å; R74-P198 CarbonylContact O-C 3.56Å; R74-P198 WeakPolarHBondContact O-CA 3.45Å; R74-K199 HydrophobicContact CB-CB 4.38Å; R74-K199 PolarHBondContact N-O 2.79Å; R74-K199 PolarHBondContact O-N 3.47Å
75L98.3Very high94Very high0 Ų044 Ų440%021%0.211CC..EExtended strand (participates in β ladder)trans-109.4101.3176.2-64.8178.1000109.5T73 L83 I116 Y157 F196 P198T73-L75 HydrophobicContact CG2-CD2 4.18Å; L75-L83 HydrophobicContact CB-CB 4.07Å; L75-L83 HydrophobicContact CB-CD2 4.45Å; L75-L83 HydrophobicContact CD1-CD2 3.93Å; L75-L83 PolarHBondContact O-N 3.49Å; L75-I116 HydrophobicContact CD1-CD1 4.42Å; L75-I116 HydrophobicContact CD1-CG2 4.22Å; L75-Y157 HydrophobicContact CD1-CE2 4.22Å; L75-Y157 HydrophobicContact CD2-CE2 4.09Å; L75-Y157 WeakPolarHBondContact CD2-OH 3.47Å; L75-F196 HydrophobicContact CB-CD1 4Å; L75-P198 HydrophobicContact CD2-CB 4.17Å; L75-P198 HydrophobicContact CD2-CG 4.15Å
76Y98.4Very high95.5Very high76 Ų7642 Ų4230%0.29820%0.199SC..EExtended strand (participates in β ladder)trans-87.6112.6178.5-177.7-104.8000110.7G80 Y82 F196 L197Y76-G80 WeakPolarHBondContact OH-CA 3.31Å; Y76-Y82 AromaticContact CD2-CD1 3.91Å; Y76-Y82 HydrophobicContact CD2-CD1 3.91Å; Y76-Y82 HydrophobicContact CD2-CD2 4.13Å; Y76-Y82 AromaticContact CD2-CE1 3.85Å; Y76-Y82 HydrophobicContact CD2-CE1 3.85Å; Y76-Y82 HydrophobicContact CD2-CE2 4.06Å; Y76-Y82 HydrophobicContact CD2-CG 4.09Å; Y76-Y82 AromaticContact CD2-CZ 3.96Å; Y76-Y82 HydrophobicContact CE2-CE2 4.43Å; Y76-Y82 HydrophobicContact CG-CD1 4.44Å; Y76-Y82 HydrophobicContact CG-CE1 4.28Å; Y76-F196 CarbonylContact O-C 3.49Å; Y76-F196 WeakPolarHBondContact O-CA 3.36Å; Y76-L197 PolarHBondContact N-O 2.84Å; Y76-L197 PolarHBondContact O-N 3.42Å
77C98.5Very high96.7Very high0 Ų042.7 Ų42.70%020%0.203CC..EExtended strand (participates in β ladder)trans-74.2139.4175.1-171.50000110.7Q79 G80 Y81 L175 H195 F196C77-Q79 PolarHBondContact O-N 3.14Å; C77-G80 PolarHBondContact O-N 2.82Å; C77-Y81 WeakPolarHBondContact CB-O 3.43Å; C77-Y81 PolarHBondContact N-O 3.28Å; C77-L175 HydrophobicContact CB-CD1 3.87Å; C77-L175 HydrophobicContact CB-CG 4.4Å; C77-H195 WeakPolarHBondContact CA-O 3.36Å; C77-F196 HydrophobicContact CB-CD1 3.92Å; C77-F196 HydrophobicContact CB-CE1 3.67Å; C77-F196 HydrophobicContact CB-CZ 4.3Å
78R98Very high97.3Very high111 Ų11142.7 Ų42.742%0.41921%0.207SC..THydrogen-bonded Turntrans-55.1-21.7175.2-175.1-179.7175.8-176.75113G80 Y154 P192 H195R78-G80 PolarHBondContact O-N 3.04Å; R78-Y154 HydrophobicContact CB-CE1 3.99Å; R78-Y154 VanDerWaalsContact CD-CZ 3.49Å; R78-Y154 WeakPolarHBondContact CD-OH 3.34Å; R78-Y154 HydrophobicContact CG-CE1 4Å; R78-Y154 PolarHBondContact NE-OH 2.75Å; R78-P192 HydrophobicContact CB-CB 4.37Å; R78-P192 HydrophobicContact CG-CB 4.11Å; R78-H195 HydrophobicContact CB-CB 3.77Å; R78-H195 PolarHBondContact N-O 3.01Å; R78-H195 PolarHBondContact NH1-CE1 2.89Å; R78-H195 PolarHBondContact NH1-ND1 2.67Å
79Q97.8Very high97.4Very high47 Ų4741.1 Ų41.122%0.2220%0.199CC..THydrogen-bonded Turntrans-68.4-7.8175.9-62.3-73.48600114.1C77 Y81 N176 K177 P192C77-Q79 PolarHBondContact O-N 3.14Å; Q79-Y81 HydrophobicContact CB-CD2 4.26Å; Q79-Y81 WeakPolarHBondContact O-CE2 3.27Å; Q79-N176 WeakPolarHBondContact CB-O 3.48Å; Q79-N176 WeakPolarHBondContact CG-O 3.47Å; Q79-N176 PolarHBondContact NE2-O 3.12Å; Q79-N176 VanDerWaalsContact NE2-O 3.14Å; Q79-K177 VanDerWaalsContact NE2-CG 3.33Å; Q79-P192 VanDerWaalsContact OE1-CB 3.24Å
80G98.1Very high97.5Very high22 Ų2236 Ų3623%0.22719%0.185CC..THydrogen-bonded Turntrans104.917.3174.900000115.1Y76 C77 R78Y76-G80 WeakPolarHBondContact OH-CA 3.31Å; C77-G80 PolarHBondContact O-N 2.82Å; R78-G80 PolarHBondContact O-N 3.04Å
81Y98.5Very high97.6Very high41 Ų4137 Ų3716%0.16119%0.188CC..EExtended strand (participates in β ladder)trans-134142-173.9-57.5-91.2000111.2C77 Q79 G93 T94 K95 K177C77-Y81 WeakPolarHBondContact CB-O 3.43Å; C77-Y81 PolarHBondContact N-O 3.28Å; Q79-Y81 HydrophobicContact CB-CD2 4.26Å; Q79-Y81 WeakPolarHBondContact O-CE2 3.27Å; Y81-G93 WeakPolarHBondContact CD1-O 3.48Å; Y81-T94 CarbonylContact C-O 3.59Å; Y81-T94 WeakPolarHBondContact CA-O 3.39Å; Y81-K95 HydrophobicContact CD1-CG 3.99Å; Y81-K95 HydrophobicContact CE1-CG 4.02Å; Y81-K177 VanDerWaalsContact CE2-O 3.27Å; Y81-K177 WeakPolarHBondContact CE2-O 3.16Å; Y81-K177 PolarHBondContact OH-O 2.75Å; Y81-K177 VanDerWaalsContact OH-O 3.11Å
82Y98.5Very high97.6Very high19 Ų1937.3 Ų37.38%0.07519%0.191CC..EExtended strand (participates in β ladder)trans-74.6132.6160.2-66.6-79.5000109.6R74 Y76 Q84 G93 T94 D97 K199R74-Y82 HydrophobicContact CB-CD1 3.94Å; R74-Y82 HydrophobicContact CB-CE1 4.16Å; Y76-Y82 AromaticContact CD2-CD1 3.91Å; Y76-Y82 HydrophobicContact CD2-CD1 3.91Å; Y76-Y82 HydrophobicContact CD2-CD2 4.13Å; Y76-Y82 AromaticContact CD2-CE1 3.85Å; Y76-Y82 HydrophobicContact CD2-CE1 3.85Å; Y76-Y82 HydrophobicContact CD2-CE2 4.06Å; Y76-Y82 HydrophobicContact CD2-CG 4.09Å; Y76-Y82 AromaticContact CD2-CZ 3.96Å; Y76-Y82 HydrophobicContact CE2-CE2 4.43Å; Y76-Y82 HydrophobicContact CG-CD1 4.44Å; Y76-Y82 HydrophobicContact CG-CE1 4.28Å; Y82-Q84 PolarHBondContact O-N 3.25Å; Y82-G93 CarbonylContact O-C 3.49Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.45Å; Y82-T94 PolarHBondContact N-O 2.95Å; Y82-T94 PolarHBondContact O-N 2.87Å; Y82-D97 HydrophobicContact CD2-CB 3.81Å; Y82-D97 HydrophobicContact CE1-CB 4.21Å; Y82-D97 HydrophobicContact CE2-CB 3.47Å; Y82-D97 VanDerWaalsContact CE2-CB 3.47Å; Y82-D97 WeakPolarHBondContact CE2-OD2 3.35Å; Y82-D97 HydrophobicContact CG-CB 4.29Å; Y82-D97 VanDerWaalsContact CZ-OD2 3.26Å; Y82-D97 PolarHBondContact OH-OD2 3Å; Y82-K199 HydrophobicContact CE1-CD 3.96Å; Y82-K199 PolarHBondContact OH-NZ 2.81Å
83L98.4Very high97.6Very high1 Ų137.5 Ų37.51%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-57.4136.9167.8-171.668.6000108.8L75 T102 F104 I125 L173 L175 F196L75-L83 HydrophobicContact CB-CB 4.07Å; L75-L83 HydrophobicContact CB-CD2 4.45Å; L75-L83 HydrophobicContact CD1-CD2 3.93Å; L75-L83 PolarHBondContact O-N 3.49Å; L83-T102 WeakPolarHBondContact O-CA 2.99Å; L83-F104 HydrophobicContact CB-CE2 4.03Å; L83-F104 HydrophobicContact CB-CZ 4.39Å; L83-F104 HydrophobicContact CD2-CE1 4.36Å; L83-F104 HydrophobicContact CD2-CE2 4.01Å; L83-F104 HydrophobicContact CD2-CZ 3.86Å; L83-F104 HydrophobicContact CG-CE2 3.97Å; L83-F104 HydrophobicContact CG-CZ 3.83Å; L83-F104 WeakPolarHBondContact O-CE2 3.42Å; L83-I125 HydrophobicContact CD2-CD1 3.83Å; L83-L173 HydrophobicContact CD2-CD2 4.23Å; L83-L175 HydrophobicContact CD1-CD1 4.45Å; L83-L175 HydrophobicContact CD1-CD2 4.05Å; L83-F196 HydrophobicContact CB-CE1 4.48Å
84Q97.9Very high97.6Very high22 Ų2238.9 Ų38.910%0.10320%0.203CC..EExtended strand (participates in β ladder)trans-131.3143.5178173.3169.1-5.800109.9Y82 H86 L91 D92 T94 S101 T102Y82-Q84 PolarHBondContact O-N 3.25Å; Q84-H86 PolarHBondContact NE2-CE1 2.97Å; Q84-H86 PolarHBondContact NE2-ND1 2.94Å; Q84-L91 WeakPolarHBondContact O-CA 3.41Å; Q84-L91 WeakPolarHBondContact O-CD2 3.33Å; Q84-D92 PolarHBondContact N-O 2.88Å; Q84-D92 PolarHBondContact O-N 3.5Å; Q84-T94 HydrophobicContact CB-CG2 3.98Å; Q84-S101 WeakPolarHBondContact CA-O 2.69Å; Q84-T102 HydrophobicContact CB-CG2 4.32Å
85M98Very high97.5Very high3 Ų344 Ų442%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-116.5120.2166.3-173.1179.8-74.300109.2A90 L91 S101 F104 T121 L123 I125M85-A90 WeakPolarHBondContact CA-O 3.14Å; M85-L91 HydrophobicContact CB-CD2 3.86Å; M85-L91 HydrophobicContact CE-CD2 3.72Å; M85-L91 HydrophobicContact CE-CG 4.47Å; M85-L91 HydrophobicContact CG-CD2 4.06Å; M85-S101 PolarHBondContact N-O 3.15Å; M85-S101 WeakPolarHBondContact O-CB 3.38Å; M85-F104 HydrophobicContact CB-CE1 4Å; M85-F104 HydrophobicContact CB-CZ 4.06Å; M85-F104 HydrophobicContact CE-CE1 4.23Å; M85-T121 HydrophobicContact CG-CG2 4.36Å; M85-T121 HydrophobicContact SD-CG2 4.31Å; M85-T121 PolarHBondContact SD-OG1 2.87Å; M85-L123 HydrophobicContact CE-CB 4.44Å; M85-L123 HydrophobicContact SD-CB 3.81Å; M85-I125 HydrophobicContact CE-CD1 4.32Å; M85-I125 HydrophobicContact CE-CG1 3.53Å
86H96.9Very high97.3Very high51 Ų5147.3 Ų47.324%0.23624%0.244CC..  trans-76.3161.6177.2-69.3-71000111.3Q84 D88 G89 A90 D92 T121Q84-H86 PolarHBondContact NE2-CE1 2.97Å; Q84-H86 PolarHBondContact NE2-ND1 2.94Å; H86-D88 WeakPolarHBondContact CB-OD1 3.14Å; H86-D88 PolarHBondContact O-N 3.34Å; H86-G89 WeakPolarHBondContact O-CA 3.5Å; H86-G89 PolarHBondContact O-N 3.5Å; H86-A90 HydrophobicContact CB-CB 4.28Å; H86-A90 PolarHBondContact N-O 3.42Å; H86-D92 IonicContact CD2-OD1 3.57Å; H86-D92 IonicContact CD2-OD2 3.75Å; H86-D92 IonicContact CE1-OD1 3.9Å; H86-D92 IonicContact CE1-OD2 3.79Å; H86-D92 IonicContact NE2-OD1 2.95Å; H86-D92 PolarHBondContact NE2-OD1 2.71Å; H86-D92 IonicContact NE2-OD2 2.82Å; H86-D92 PolarHBondContact NE2-OD2 3.21Å; H86-T121 WeakPolarHBondContact O-CG2 3.41Å
87P95.8Very high97Very high92 Ų9246.9 Ų46.960%0.59725%0.247SC*.THydrogen-bonded Turntrans-58.6-26.2178.2-25.936.1000115G89P87-G89 PolarHBondContact O-N 2.82Å
88D95Very high96.6Very high125 Ų12550.9 Ų50.967%0.66828%0.275SS*.THydrogen-bonded Turntrans-79.2-3.7173.665.1-10.2000113.2H86 A90H86-D88 WeakPolarHBondContact CB-OD1 3.14Å; H86-D88 PolarHBondContact O-N 3.34Å; D88-A90 VanDerWaalsContact OD1-CB 3.29Å; D88-A90 WeakPolarHBondContact OD1-CB 3.48Å; D88-A90 PolarHBondContact OD1-N 2.91Å
89G94.7Very high96.2Very high1 Ų147.8 Ų47.81%0.0127%0.269CS..  trans85.90.9-177.200000114.6H86 P87 P135H86-G89 WeakPolarHBondContact O-CA 3.5Å; H86-G89 PolarHBondContact O-N 3.5Å; P87-G89 PolarHBondContact O-N 2.82Å; G89-P135 WeakPolarHBondContact O-CB 3.26Å; G89-P135 WeakPolarHBondContact O-CG 3.34Å
90A96.6Very high96.1Very high42 Ų4250.3 Ų50.335%0.34728%0.284SS..  trans-63.4142.6175.400000111.2M85 H86 D88M85-A90 WeakPolarHBondContact CA-O 3.14Å; H86-A90 HydrophobicContact CB-CB 4.28Å; H86-A90 PolarHBondContact N-O 3.42Å; D88-A90 VanDerWaalsContact OD1-CB 3.29Å; D88-A90 WeakPolarHBondContact OD1-CB 3.48Å; D88-A90 PolarHBondContact OD1-N 2.91Å
91L97.4Very high96Very high23 Ų2349.8 Ų49.812%0.1228%0.277CS..EExtended strand (participates in β ladder)trans-114.4125.5-178.3-72.2171.6000111Q84 M85 I125 L133 A181Q84-L91 WeakPolarHBondContact O-CA 3.41Å; Q84-L91 WeakPolarHBondContact O-CD2 3.33Å; M85-L91 HydrophobicContact CB-CD2 3.86Å; M85-L91 HydrophobicContact CE-CD2 3.72Å; M85-L91 HydrophobicContact CE-CG 4.47Å; M85-L91 HydrophobicContact CG-CD2 4.06Å; L91-I125 HydrophobicContact CD1-CB 4.39Å; L91-I125 HydrophobicContact CD1-CD1 4.06Å; L91-I125 HydrophobicContact CD1-CG1 3.95Å; L91-I125 HydrophobicContact CD1-CG2 3.8Å; L91-I125 HydrophobicContact CD2-CD1 3.84Å; L91-I125 HydrophobicContact CD2-CG1 4.11Å; L91-L133 HydrophobicContact CD1-CB 4.23Å; L91-A181 HydrophobicContact CB-CB 4.29Å; L91-A181 VanDerWaalsContact O-CB 3.3Å; L91-A181 WeakPolarHBondContact O-CB 3.39Å
92D97.7Very high96Very high50 Ų5047.9 Ų47.927%0.26727%0.269SS..EExtended strand (participates in β ladder)trans-152.1-162174.567.3-0.3000110.7Q84 H86 G179Q84-D92 PolarHBondContact N-O 2.88Å; Q84-D92 PolarHBondContact O-N 3.5Å; H86-D92 IonicContact CD2-OD1 3.57Å; H86-D92 IonicContact CD2-OD2 3.75Å; H86-D92 IonicContact CE1-OD1 3.9Å; H86-D92 IonicContact CE1-OD2 3.79Å; H86-D92 IonicContact NE2-OD1 2.95Å; H86-D92 PolarHBondContact NE2-OD1 2.71Å; H86-D92 IonicContact NE2-OD2 2.82Å; H86-D92 PolarHBondContact NE2-OD2 3.21Å; D92-G179 CarbonylContact C-O 3.53Å
93G98Very high95.9Very high13 Ų1347.6 Ų47.613%0.13427%0.269CS..EExtended strand (participates in β ladder)trans-128.9131.5-175.900000110Y81 Y82 G179Y81-G93 WeakPolarHBondContact CD1-O 3.48Å; Y82-G93 CarbonylContact O-C 3.49Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.45Å; G93-G179 VanDerWaalsContact CA-O 3.29Å; G93-G179 WeakPolarHBondContact CA-O 3.47Å; G93-G179 PolarHBondContact N-O 3.43Å
94T98Very high95.9Very high29 Ų2947.6 Ų47.618%0.17827%0.269CS..EExtended strand (participates in β ladder)trans-119.5154.9175.9-176.20000111.2Y81 Y82 Q84 D96 T102Y81-T94 CarbonylContact C-O 3.59Å; Y81-T94 WeakPolarHBondContact CA-O 3.39Å; Y82-T94 PolarHBondContact N-O 2.95Å; Y82-T94 PolarHBondContact O-N 2.87Å; Q84-T94 HydrophobicContact CB-CG2 3.98Å; T94-D96 WeakPolarHBondContact CG2-O 3.4Å; T94-D96 PolarHBondContact OG1-N 3.13Å; T94-D96 VanDerWaalsContact OG1-N 3.14Å; T94-T102 HydrophobicContact CG2-CG2 3.5Å; T94-T102 VanDerWaalsContact CG2-CG2 3.5Å
95K96.8Very high96Very high156 Ų15647.5 Ų47.568%0.67827%0.269SS*.SBendtrans-86.1-14.1170.1-66.3-177.8-179.7176.40112.5Y81Y81-K95 HydrophobicContact CD1-CG 3.99Å; Y81-K95 HydrophobicContact CE1-CG 4.02Å
96D95Very high96Very high70 Ų7047.9 Ų47.937%0.37427%0.271SS..  trans-93.1118.7-176.9178.618.9000111.3T94 S98 T102T94-D96 WeakPolarHBondContact CG2-O 3.4Å; T94-D96 PolarHBondContact OG1-N 3.13Å; T94-D96 VanDerWaalsContact OG1-N 3.14Å; D96-S98 WeakPolarHBondContact OD1-CB 3.31Å; D96-S98 PolarHBondContact OD1-N 3.17Å; D96-S98 PolarHBondContact OD1-OG 3.04Å; D96-S98 PolarHBondContact OD2-OG 2.88Å; D96-T102 WeakPolarHBondContact O-CG2 3.29Å
97D91.5Very high96Very high66 Ų6645.6 Ų45.635%0.35326%0.261SS..  trans-970.8175.554.112.9000114.4R74 Y82 T99R74-D97 VanDerWaalsContact CZ-O 3.27Å; R74-D97 PolarHBondContact NE-O 3.3Å; R74-D97 PolarHBondContact NH2-O 3Å; Y82-D97 HydrophobicContact CD2-CB 3.81Å; Y82-D97 HydrophobicContact CE1-CB 4.21Å; Y82-D97 HydrophobicContact CE2-CB 3.47Å; Y82-D97 VanDerWaalsContact CE2-CB 3.47Å; Y82-D97 WeakPolarHBondContact CE2-OD2 3.35Å; Y82-D97 HydrophobicContact CG-CB 4.29Å; Y82-D97 VanDerWaalsContact CZ-OD2 3.26Å; Y82-D97 PolarHBondContact OH-OD2 3Å; D97-T99 VanDerWaalsContact C-N 3.26Å; D97-T99 PolarHBondContact O-N 2.83Å
98S89.8Confident96.1Very high85 Ų8543.4 Ų43.459%0.59425%0.246SC*.SBendtrans-69.2-26.5-179.371.80000112.6D96D96-S98 WeakPolarHBondContact OD1-CB 3.31Å; D96-S98 PolarHBondContact OD1-N 3.17Å; D96-S98 PolarHBondContact OD1-OG 3.04Å; D96-S98 PolarHBondContact OD2-OG 2.88Å
99T90.2Very high96.2Very high45 Ų4538.6 Ų38.628%0.27622%0.222SC..SBendtrans-84.4141.9-175.869.30000113.1D97 S101 T102D97-T99 VanDerWaalsContact C-N 3.26Å; D97-T99 PolarHBondContact O-N 2.83Å; T99-S101 PolarHBondContact O-N 3.4Å; T99-S101 VanDerWaalsContact O-N 3.11Å; T99-T102 PolarHBondContact O-N 2.77Å; T99-T102 PolarHBondContact O-OG1 3.43Å
100N94.2Very high96.2Very high100 Ų10040.5 Ų40.554%0.53524%0.241SC..G310 helixtrans-64.8-11.2173.4-69.9-19.1000113.6T102 L103N100-T102 PolarHBondContact O-N 3.35Å; N100-L103 HydrophobicContact CB-CD1 4.22Å; N100-L103 PolarHBondContact O-N 2.96Å; N100-L103 WeakPolarHBondContact OD1-CD1 3.36Å
101S96.8Very high96.2Very high12 Ų1245.3 Ų45.38%0.08426%0.26CS..G310 helixtrans-67-17.3175.2-50.50000112.7Q84 M85 T99Q84-S101 WeakPolarHBondContact CA-O 2.69Å; M85-S101 PolarHBondContact N-O 3.15Å; M85-S101 WeakPolarHBondContact O-CB 3.38Å; T99-S101 PolarHBondContact O-N 3.4Å; T99-S101 VanDerWaalsContact O-N 3.11Å
102T97.8Very high96.1Very high0 Ų049.1 Ų49.10%027%0.273CS..G310 helixtrans-91.9-3.7176.364.10000114R74 L83 Q84 T94 D96 T99 N100 F104R74-T102 PolarHBondContact NE-OG1 3.42Å; L83-T102 WeakPolarHBondContact O-CA 2.99Å; Q84-T102 HydrophobicContact CB-CG2 4.32Å; T94-T102 HydrophobicContact CG2-CG2 3.5Å; T94-T102 VanDerWaalsContact CG2-CG2 3.5Å; D96-T102 WeakPolarHBondContact O-CG2 3.29Å; T99-T102 PolarHBondContact O-N 2.77Å; T99-T102 PolarHBondContact O-OG1 3.43Å; N100-T102 PolarHBondContact O-N 3.35Å; T102-F104 VanDerWaalsContact O-CD2 3.32Å; T102-F104 WeakPolarHBondContact O-CD2 3.42Å
103L98Very high96.2Very high14 Ų1447.5 Ų47.57%0.07327%0.265CS..EExtended strand (participates in β ladder)trans-88.5129.8-179.1-65.2175.3000110.9V72 R74 N100 V119 L201V72-L103 HydrophobicContact CG1-CD2 4.29Å; R74-L103 HydrophobicContact CG-CD2 3.93Å; N100-L103 HydrophobicContact CB-CD1 4.22Å; N100-L103 PolarHBondContact O-N 2.96Å; N100-L103 WeakPolarHBondContact OD1-CD1 3.36Å; L103-V119 HydrophobicContact CB-CB 3.9Å; L103-V119 HydrophobicContact CB-CG2 3.76Å; L103-V119 WeakPolarHBondContact O-CG2 3.48Å; L103-V119 PolarHBondContact O-N 2.91Å; L103-L201 HydrophobicContact CD2-CD2 4.17Å
104F98.5Very high96.2Very high0 Ų047.1 Ų47.10%026%0.26CS..EExtended strand (participates in β ladder)trans-126.9140.6177.1-64.1-88.8000111.8V72 T73 L83 M85 T102 I116 Q117 I125V72-F104 WeakPolarHBondContact CA-O 3.34Å; T73-F104 PolarHBondContact N-O 3.05Å; T73-F104 PolarHBondContact O-N 2.79Å; L83-F104 HydrophobicContact CB-CE2 4.03Å; L83-F104 HydrophobicContact CB-CZ 4.39Å; L83-F104 HydrophobicContact CD2-CE1 4.36Å; L83-F104 HydrophobicContact CD2-CE2 4.01Å; L83-F104 HydrophobicContact CD2-CZ 3.86Å; L83-F104 HydrophobicContact CG-CE2 3.97Å; L83-F104 HydrophobicContact CG-CZ 3.83Å; L83-F104 WeakPolarHBondContact O-CE2 3.42Å; M85-F104 HydrophobicContact CB-CE1 4Å; M85-F104 HydrophobicContact CB-CZ 4.06Å; M85-F104 HydrophobicContact CE-CE1 4.23Å; T102-F104 VanDerWaalsContact O-CD2 3.32Å; T102-F104 WeakPolarHBondContact O-CD2 3.42Å; F104-I116 HydrophobicContact CB-CG2 4.05Å; F104-I116 HydrophobicContact CD1-CG2 3.72Å; F104-I116 HydrophobicContact CG-CG2 4.04Å; F104-Q117 CarbonylContact C-O 3.54Å; F104-Q117 WeakPolarHBondContact CA-O 3.4Å; F104-I125 HydrophobicContact CD1-CD1 4.39Å; F104-I125 HydrophobicContact CE1-CD1 3.9Å
105N98.3Very high96.2Very high20 Ų2045.8 Ų45.811%0.10725%0.252CS..EExtended strand (participates in β ladder)trans-79.1117.6162.6-58.7-35.5000108I107 Q117 V119 Y206N105-I107 HydrophobicContact CB-CD1 4.15Å; N105-I107 HydrophobicContact CB-CG1 3.96Å; N105-Q117 HydrophobicContact CB-CB 4.22Å; N105-Q117 PolarHBondContact N-O 2.98Å; N105-Q117 PolarHBondContact ND2-OE1 3.48Å; N105-Q117 PolarHBondContact O-N 3.37Å; N105-V119 WeakPolarHBondContact OD1-CG2 3.3Å; N105-Y206 HydrophobicContact CB-CE1 3.69Å; N105-Y206 WeakPolarHBondContact CB-OH 3.39Å; N105-Y206 VanDerWaalsContact CG-CE1 3.48Å; N105-Y206 PolarHBondContact OD1-OH 3.02Å
106L98.2Very high96.3Very high12 Ų1238.3 Ų38.36%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-98.597.9171.7-146.475000108.3G70 I71 T73 V114 I116 Y157G70-L106 VanDerWaalsContact CA-O 3.29Å; G70-L106 WeakPolarHBondContact CA-O 3.28Å; I71-L106 HydrophobicContact CD1-CB 4.44Å; I71-L106 HydrophobicContact CD1-CD2 4.29Å; I71-L106 HydrophobicContact CG1-CB 3.76Å; I71-L106 HydrophobicContact CG1-CD2 4.45Å; I71-L106 PolarHBondContact N-O 2.85Å; I71-L106 PolarHBondContact O-N 2.98Å; T73-L106 HydrophobicContact CG2-CB 4.06Å; T73-L106 HydrophobicContact CG2-CD2 4.48Å; L106-V114 HydrophobicContact CD1-CG2 4.31Å; L106-V114 HydrophobicContact CG-CB 4.26Å; L106-V114 HydrophobicContact CG-CG1 4.29Å; L106-V114 HydrophobicContact CG-CG2 4.41Å; L106-I116 HydrophobicContact CD1-CB 4.45Å; L106-I116 HydrophobicContact CD1-CD1 4.35Å; L106-I116 HydrophobicContact CD1-CG1 3.81Å; L106-I116 HydrophobicContact CD1-CG2 4.3Å; L106-Y157 HydrophobicContact CD1-CE1 4.43Å
107I97.7Very high96.5Very high3 Ų336.5 Ų36.52%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-102.2119-169.6-52.7173.4000109L68 N105 V109 V114 A115 Y124 Y206 P209L68-I107 HydrophobicContact CB-CG2 4.36Å; L68-I107 HydrophobicContact CD1-CG2 3.8Å; N105-I107 HydrophobicContact CB-CD1 4.15Å; N105-I107 HydrophobicContact CB-CG1 3.96Å; I107-V109 HydrophobicContact CG2-CG1 4.28Å; I107-V109 PolarHBondContact O-N 2.92Å; I107-V114 CarbonylContact O-C 3.37Å; I107-V114 VanDerWaalsContact O-CA 3.24Å; I107-V114 WeakPolarHBondContact O-CA 3.42Å; I107-A115 HydrophobicContact CB-CB 4.36Å; I107-A115 PolarHBondContact N-O 3.14Å; I107-A115 PolarHBondContact O-N 2.91Å; I107-Y124 HydrophobicContact CD1-CE1 4.43Å; I107-Y206 HydrophobicContact CD1-CD1 3.94Å; I107-Y206 HydrophobicContact CD1-CE1 4.4Å; I107-Y206 HydrophobicContact CD1-CG 4.09Å; I107-Y206 HydrophobicContact CG1-CD1 4.04Å; I107-Y206 HydrophobicContact CG1-CD2 3.99Å; I107-Y206 HydrophobicContact CG1-CE1 4.3Å; I107-Y206 HydrophobicContact CG1-CE2 4.25Å; I107-Y206 HydrophobicContact CG1-CG 3.87Å; I107-Y206 HydrophobicContact CG2-CD2 4.43Å; I107-Y206 HydrophobicContact CG2-CG 4.32Å; I107-P209 HydrophobicContact CG2-CG 4.47Å
108P97.6Very high96.8Very high45 Ų4533.5 Ų33.529%0.29219%0.193SC..EExtended strand (participates in β ladder)trans-76.4108.7-18030.1-33.6000110.8L68 K69L68-P108 HydrophobicContact CB-CG 4.36Å; L68-P108 WeakPolarHBondContact CD1-O 3.38Å; K69-P108 VanDerWaalsContact O-CG 3.32Å; K69-P108 WeakPolarHBondContact O-CG 3.44Å
109V96.9Very high97.1Very high25 Ų2532.3 Ų32.315%0.15218%0.182CC..EExtended strand (participates in β ladder)trans-104.29.4-178.4-61.80000112.7I107 V113 A115 F139 K144 P209I107-V109 HydrophobicContact CG2-CG1 4.28Å; I107-V109 PolarHBondContact O-N 2.92Å; V109-V113 HydrophobicContact CG2-CB 4.27Å; V109-V113 HydrophobicContact CG2-CG1 3.73Å; V109-V113 PolarHBondContact N-O 2.84Å; V109-A115 HydrophobicContact CG1-CB 3.96Å; V109-F139 HydrophobicContact CB-CZ 4.03Å; V109-F139 HydrophobicContact CG1-CE1 4.4Å; V109-F139 HydrophobicContact CG1-CE2 4.28Å; V109-F139 HydrophobicContact CG1-CZ 3.75Å; V109-F139 HydrophobicContact CG2-CZ 4.04Å; V109-K144 HydrophobicContact CG2-CG 4.24Å; V109-P209 HydrophobicContact CG1-CG 4.49Å
110G95.7Very high97.4Very high41 Ų4136.2 Ų36.242%0.42320%0.195SC..EExtended strand (participates in β ladder)trans172.4179.4177.700000112.3R112 V113G110-R112 PolarHBondContact O-N 2.9Å; G110-V113 PolarHBondContact N-O 3.34Å; G110-V113 PolarHBondContact O-N 3.5Å; G110-V113 VanDerWaalsContact O-N 3.14Å
111L95.8Very high97.5Very high143 Ų14333.3 Ų33.375%0.74918%0.181SC*.THydrogen-bonded Turntrans-65106.9177.3179.464.9000110.2V113L111-V113 PolarHBondContact O-N 3.19Å
112R96.4Very high97.5Very high102 Ų10234.2 Ų34.239%0.38519%0.193SC..THydrogen-bonded Turntrans6030.4-175.2-53.6-62.6-171.9172.5-0.2112.8G110 K146 E147G110-R112 PolarHBondContact O-N 2.9Å; R112-K146 CarbonylContact O-C 3.59Å; R112-K146 WeakPolarHBondContact O-CA 3.42Å; R112-E147 HydrophobicContact CB-CG 4.07Å; R112-E147 WeakPolarHBondContact CD-OE1 3.44Å; R112-E147 IonicContact NH1-OE1 3.52Å; R112-E147 VanDerWaalsContact O-CG 3.32Å; R112-E147 WeakPolarHBondContact O-CG 3.3Å; R112-E147 PolarHBondContact O-N 3.24Å
113V98.3Very high97.5Very high16 Ų1635.5 Ų35.510%0.09720%0.199CC..EExtended strand (participates in β ladder)trans-124127.8175.2-172.30000108.2V109 G110 L111 K144 F145 M160V109-V113 HydrophobicContact CG2-CB 4.27Å; V109-V113 HydrophobicContact CG2-CG1 3.73Å; V109-V113 PolarHBondContact N-O 2.84Å; G110-V113 PolarHBondContact N-O 3.34Å; G110-V113 PolarHBondContact O-N 3.5Å; G110-V113 VanDerWaalsContact O-N 3.14Å; L111-V113 PolarHBondContact O-N 3.19Å; V113-K144 HydrophobicContact CG1-CB 3.85Å; V113-K144 HydrophobicContact CG1-CG 4.41Å; V113-F145 CarbonylContact C-O 3.57Å; V113-F145 VanDerWaalsContact CA-O 3.31Å; V113-F145 WeakPolarHBondContact CA-O 3.14Å; V113-M160 HydrophobicContact CG1-CG 3.89Å; V113-M160 HydrophobicContact CG1-SD 4.26Å; V113-M160 HydrophobicContact CG2-CE 4.08Å; V113-M160 HydrophobicContact CG2-CG 4.46Å; V113-M160 HydrophobicContact CG2-SD 3.73Å
114V98.5Very high97.6Very high6 Ų636 Ų364%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-123.5147.8-178.6-61.90000110.6L106 I107 I116 F145 E147 Y157L106-V114 HydrophobicContact CD1-CG2 4.31Å; L106-V114 HydrophobicContact CG-CB 4.26Å; L106-V114 HydrophobicContact CG-CG1 4.29Å; L106-V114 HydrophobicContact CG-CG2 4.41Å; I107-V114 CarbonylContact O-C 3.37Å; I107-V114 VanDerWaalsContact O-CA 3.24Å; I107-V114 WeakPolarHBondContact O-CA 3.42Å; V114-I116 HydrophobicContact CG2-CG1 4.27Å; V114-F145 HydrophobicContact CG2-CB 4.3Å; V114-F145 PolarHBondContact N-O 3.3Å; V114-F145 PolarHBondContact O-N 3.21Å; V114-E147 HydrophobicContact CG1-CG 4.21Å; V114-Y157 HydrophobicContact CG2-CD1 3.83Å; V114-Y157 HydrophobicContact CG2-CE1 3.81Å
115A98.5Very high97.6Very high0 Ų036 Ų360%020%0.201CC..EExtended strand (participates in β ladder)trans-94.5142.7156.800000108.1I107 V109 Y124 F139I107-A115 HydrophobicContact CB-CB 4.36Å; I107-A115 PolarHBondContact N-O 3.14Å; I107-A115 PolarHBondContact O-N 2.91Å; V109-A115 HydrophobicContact CG1-CB 3.96Å; A115-Y124 HydrophobicContact CB-CD1 4.09Å; A115-Y124 HydrophobicContact CB-CE1 4.13Å; A115-F139 HydrophobicContact CB-CD2 4.15Å; A115-F139 HydrophobicContact CB-CE2 3.6Å; A115-F139 HydrophobicContact CB-CZ 4.43Å
116I98.6Very high97.6Very high0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-116.3115.4178-47.5-179000106.8L75 F104 L106 V114 Y124 I125 F145 Y157 L173L75-I116 HydrophobicContact CD1-CD1 4.42Å; L75-I116 HydrophobicContact CD1-CG2 4.22Å; F104-I116 HydrophobicContact CB-CG2 4.05Å; F104-I116 HydrophobicContact CD1-CG2 3.72Å; F104-I116 HydrophobicContact CG-CG2 4.04Å; L106-I116 HydrophobicContact CD1-CB 4.45Å; L106-I116 HydrophobicContact CD1-CD1 4.35Å; L106-I116 HydrophobicContact CD1-CG1 3.81Å; L106-I116 HydrophobicContact CD1-CG2 4.3Å; V114-I116 HydrophobicContact CG2-CG1 4.27Å; I116-Y124 CarbonylContact O-C 3.56Å; I116-Y124 WeakPolarHBondContact O-CA 3.35Å; I116-I125 HydrophobicContact CB-CB 4.38Å; I116-I125 HydrophobicContact CB-CD1 4.28Å; I116-I125 HydrophobicContact CB-CG1 4.4Å; I116-I125 HydrophobicContact CG2-CD1 3.82Å; I116-I125 HydrophobicContact CG2-CG1 4.33Å; I116-I125 PolarHBondContact O-N 3.04Å; I116-F145 HydrophobicContact CD1-CD2 4.18Å; I116-F145 HydrophobicContact CD1-CG 4.45Å; I116-F145 HydrophobicContact CG1-CD2 4.25Å; I116-Y157 HydrophobicContact CD1-CD1 4.2Å; I116-Y157 HydrophobicContact CD1-CD2 4.42Å; I116-Y157 HydrophobicContact CD1-CG 4.13Å; I116-L173 HydrophobicContact CD1-CD2 4.02Å
117Q98.3Very high97.6Very high32 Ų3234.5 Ų34.515%0.1519%0.193CC..EExtended strand (participates in β ladder)trans-123.7132.4-176.6-175.3-169.439.300110.2F104 N105 V119 G122 L123 Y124F104-Q117 CarbonylContact C-O 3.54Å; F104-Q117 WeakPolarHBondContact CA-O 3.4Å; N105-Q117 HydrophobicContact CB-CB 4.22Å; N105-Q117 PolarHBondContact N-O 2.98Å; N105-Q117 PolarHBondContact ND2-OE1 3.48Å; N105-Q117 PolarHBondContact O-N 3.37Å; Q117-V119 PolarHBondContact O-N 3.38Å; Q117-G122 WeakPolarHBondContact CG-O 3.47Å; Q117-G122 PolarHBondContact NE2-O 3.39Å; Q117-L123 CarbonylContact C-O 3.49Å; Q117-L123 VanDerWaalsContact CA-O 3.3Å; Q117-L123 WeakPolarHBondContact CA-O 3.29Å; Q117-L123 WeakPolarHBondContact CG-O 3.27Å; Q117-Y124 HydrophobicContact CB-CD1 3.76Å; Q117-Y124 HydrophobicContact CB-CE1 3.82Å; Q117-Y124 HydrophobicContact CG-CD1 4.12Å; Q117-Y124 HydrophobicContact CG-CE1 4.06Å
118G98.1Very high97.6Very high2 Ų236.2 Ų36.22%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-66.6126.6173.800000110.6K120 G122 L123G118-K120 VanDerWaalsContact C-N 3.3Å; G118-K120 PolarHBondContact O-N 3.33Å; G118-G122 WeakPolarHBondContact O-CA 3.36Å; G118-G122 PolarHBondContact O-N 3.12Å; G118-L123 PolarHBondContact N-O 3.46Å
119V97.1Very high97.6Very high61 Ų6136 Ų3637%0.3721%0.207SC..THydrogen-bonded Turntrans-63.2-40.9-178.71730000111V72 L103 N105 Q117V72-V119 HydrophobicContact CG1-CG2 4.17Å; L103-V119 HydrophobicContact CB-CB 3.9Å; L103-V119 HydrophobicContact CB-CG2 3.76Å; L103-V119 WeakPolarHBondContact O-CG2 3.48Å; L103-V119 PolarHBondContact O-N 2.91Å; N105-V119 WeakPolarHBondContact OD1-CG2 3.3Å; Q117-V119 PolarHBondContact O-N 3.38Å
120K95.8Very high97.6Very high127 Ų12740.5 Ų40.555%0.55223%0.227SC*.THydrogen-bonded Turntrans-73.2-37.8-176.2-173.4177.5177.7-178.50113.2G118G118-K120 VanDerWaalsContact C-N 3.3Å; G118-K120 PolarHBondContact O-N 3.33Å
121T96.7Very high97.7Very high38 Ų3838.6 Ų38.623%0.23321%0.207CC..THydrogen-bonded Turntrans-98.5-23.8-172.655.70000113.3M85 H86 L123M85-T121 HydrophobicContact CG-CG2 4.36Å; M85-T121 HydrophobicContact SD-CG2 4.31Å; M85-T121 PolarHBondContact SD-OG1 2.87Å; H86-T121 WeakPolarHBondContact O-CG2 3.41Å; T121-L123 HydrophobicContact CG2-CD1 4.5Å; T121-L123 PolarHBondContact O-N 3.46Å; T121-L123 PolarHBondContact OG1-N 3.08Å
122G96.9Very high97.8Very high32 Ų3237.3 Ų37.333%0.3319%0.193SC..  trans72.30.9-170.300000114.2Q117 G118Q117-G122 WeakPolarHBondContact CG-O 3.47Å; Q117-G122 PolarHBondContact NE2-O 3.39Å; G118-G122 WeakPolarHBondContact O-CA 3.36Å; G118-G122 PolarHBondContact O-N 3.12Å
123L98.2Very high97.9Very high27 Ų2733.8 Ų33.814%0.14118%0.182CC..PPolyproline II helixtrans-81.5138.2-178.2-59.9169.5000110.8M85 Q117 G118 T121 P135 E137M85-L123 HydrophobicContact CE-CB 4.44Å; M85-L123 HydrophobicContact SD-CB 3.81Å; Q117-L123 CarbonylContact C-O 3.49Å; Q117-L123 VanDerWaalsContact CA-O 3.3Å; Q117-L123 WeakPolarHBondContact CA-O 3.29Å; Q117-L123 WeakPolarHBondContact CG-O 3.27Å; G118-L123 PolarHBondContact N-O 3.46Å; T121-L123 HydrophobicContact CG2-CD1 4.5Å; T121-L123 PolarHBondContact O-N 3.46Å; T121-L123 PolarHBondContact OG1-N 3.08Å; L123-P135 HydrophobicContact CB-CB 4.17Å; L123-P135 HydrophobicContact CD1-CB 3.91Å; L123-E137 HydrophobicContact CD2-CB 4.25Å; L123-E137 HydrophobicContact CD2-CG 3.42Å; L123-E137 VanDerWaalsContact CD2-CG 3.42Å
124Y98.5Very high97.9Very high25 Ų2536.2 Ų36.210%0.09819%0.189CC..EExtended strand (participates in β ladder)trans-80142.8170-63.9-78.9000110.4I107 A115 I116 Q117 P135 S136 F139I107-Y124 HydrophobicContact CD1-CE1 4.43Å; A115-Y124 HydrophobicContact CB-CD1 4.09Å; A115-Y124 HydrophobicContact CB-CE1 4.13Å; I116-Y124 CarbonylContact O-C 3.56Å; I116-Y124 WeakPolarHBondContact O-CA 3.35Å; Q117-Y124 HydrophobicContact CB-CD1 3.76Å; Q117-Y124 HydrophobicContact CB-CE1 3.82Å; Q117-Y124 HydrophobicContact CG-CD1 4.12Å; Q117-Y124 HydrophobicContact CG-CE1 4.06Å; Y124-P135 CarbonylContact O-C 3.58Å; Y124-P135 WeakPolarHBondContact O-CA 3.31Å; Y124-S136 PolarHBondContact N-O 3.36Å; Y124-S136 PolarHBondContact O-N 2.93Å; Y124-F139 HydrophobicContact CD1-CD2 4.24Å; Y124-F139 HydrophobicContact CD2-CB 4.25Å; Y124-F139 HydrophobicContact CE1-CD2 4.23Å; Y124-F139 HydrophobicContact CE2-CB 3.89Å
125I98.5Very high97.8Very high0 Ų038.2 Ų38.20%020%0.203CC..EExtended strand (participates in β ladder)trans-73.8131.6161.5-56.6-175.8000107.1L83 M85 L91 F104 I116 L133 C143 F145L83-I125 HydrophobicContact CD2-CD1 3.83Å; M85-I125 HydrophobicContact CE-CD1 4.32Å; M85-I125 HydrophobicContact CE-CG1 3.53Å; L91-I125 HydrophobicContact CD1-CB 4.39Å; L91-I125 HydrophobicContact CD1-CD1 4.06Å; L91-I125 HydrophobicContact CD1-CG1 3.95Å; L91-I125 HydrophobicContact CD1-CG2 3.8Å; L91-I125 HydrophobicContact CD2-CD1 3.84Å; L91-I125 HydrophobicContact CD2-CG1 4.11Å; F104-I125 HydrophobicContact CD1-CD1 4.39Å; F104-I125 HydrophobicContact CE1-CD1 3.9Å; I116-I125 HydrophobicContact CB-CB 4.38Å; I116-I125 HydrophobicContact CB-CD1 4.28Å; I116-I125 HydrophobicContact CB-CG1 4.4Å; I116-I125 HydrophobicContact CG2-CD1 3.82Å; I116-I125 HydrophobicContact CG2-CG1 4.33Å; I116-I125 PolarHBondContact O-N 3.04Å; I125-L133 HydrophobicContact CG2-CD2 4.09Å; I125-C143 WeakPolarHBondContact O-CA 3.44Å; I125-F145 HydrophobicContact CB-CE2 4.32Å; I125-F145 HydrophobicContact CG2-CE2 4.07Å; I125-F145 HydrophobicContact CG2-CZ 3.96Å; I125-F145 WeakPolarHBondContact O-CE2 3.47Å
126A98.5Very high97.8Very high0 Ų038.6 Ų38.60%021%0.206CC..EExtended strand (participates in β ladder)trans-128.1158.7172.800000110.2L133 Y134 E142A126-L133 VanDerWaalsContact O-CA 3.3Å; A126-L133 WeakPolarHBondContact O-CA 3.23Å; A126-Y134 HydrophobicContact CB-CD1 3.98Å; A126-Y134 HydrophobicContact CB-CD2 4.36Å; A126-Y134 HydrophobicContact CB-CE1 3.43Å; A126-Y134 VanDerWaalsContact CB-CE1 3.43Å; A126-Y134 HydrophobicContact CB-CE2 3.86Å; A126-Y134 HydrophobicContact CB-CG 4.41Å; A126-Y134 PolarHBondContact N-O 3.11Å; A126-Y134 PolarHBondContact O-N 2.95Å; A126-E142 WeakPolarHBondContact CA-O 3.19Å; A126-E142 HydrophobicContact CB-CB 4.11Å
127M98.6Very high97.7Very high0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-125.6120.7172.5-176.1-178.3-67.900109.2Y132 L133 E142 F145 Y162 W171M127-Y132 WeakPolarHBondContact CA-O 3.3Å; M127-L133 HydrophobicContact CB-CD2 4.12Å; M127-L133 HydrophobicContact CE-CD2 3.63Å; M127-L133 HydrophobicContact CE-CG 4.34Å; M127-L133 HydrophobicContact CG-CD2 4.44Å; M127-E142 PolarHBondContact N-O 2.82Å; M127-E142 VanDerWaalsContact N-O 3.13Å; M127-E142 WeakPolarHBondContact O-CB 3.49Å; M127-F145 HydrophobicContact CB-CE1 4.33Å; M127-F145 HydrophobicContact CB-CZ 4.26Å; M127-F145 HydrophobicContact CE-CE1 4.26Å; M127-Y162 WeakPolarHBondContact O-CD2 3.35Å; M127-Y162 WeakPolarHBondContact O-CE2 3.32Å; M127-W171 HydrophobicContact SD-CB 3.74Å; M127-W171 HydrophobicContact SD-CE3 4.14Å
128N97.7Very high97.7Very high39 Ų3947 Ų4721%0.20925%0.246CC..  trans-79.3172-177.575.25000113E130 G131 Y132 Y134 E142 Y162N128-E130 PolarHBondContact O-N 2.93Å; N128-E130 VanDerWaalsContact O-N 3.12Å; N128-E130 WeakPolarHBondContact OD1-CB 3.29Å; N128-E130 PolarHBondContact OD1-N 3.22Å; N128-E130 VanDerWaalsContact OD1-N 3.11Å; N128-G131 WeakPolarHBondContact O-CA 3.31Å; N128-G131 PolarHBondContact O-N 2.95Å; N128-G131 PolarHBondContact OD1-N 3.3Å; N128-Y132 PolarHBondContact N-O 3.33Å; N128-Y132 PolarHBondContact OD1-N 2.92Å; N128-Y132 PolarHBondContact OD1-O 3.23Å; N128-Y134 HydrophobicContact CB-CD1 4.01Å; N128-Y134 HydrophobicContact CB-CE1 3.75Å; N128-E142 WeakPolarHBondContact CA-OE1 3.24Å; N128-Y162 VanDerWaalsContact O-CD2 3.27Å; N128-Y162 WeakPolarHBondContact O-CD2 3.48Å
129G97.5Very high97.6Very high40 Ų4047.4 Ų47.441%0.41225%0.247SC..THydrogen-bonded Turntrans-60.7-16.9178.300000115.8Y162 W171G129-Y162 VanDerWaalsContact CA-CZ 3.49Å; G129-W171 VanDerWaalsContact O-CH2 3.31Å; G129-W171 WeakPolarHBondContact O-CH2 3.44Å; G129-W171 WeakPolarHBondContact O-CZ3 3.41Å
130E97.4Very high97.7Very high120 Ų12044.8 Ų44.856%0.56123%0.231SC*.THydrogen-bonded Turntrans-87.1-18.7172.4-59.2-175.4154.300112.1N128 Y132 K183N128-E130 PolarHBondContact O-N 2.93Å; N128-E130 VanDerWaalsContact O-N 3.12Å; N128-E130 WeakPolarHBondContact OD1-CB 3.29Å; N128-E130 PolarHBondContact OD1-N 3.22Å; N128-E130 VanDerWaalsContact OD1-N 3.11Å; E130-Y132 HydrophobicContact CB-CD2 3.74Å; E130-Y132 HydrophobicContact CB-CE2 3.96Å; E130-Y132 WeakPolarHBondContact OE2-CD2 3.48Å; E130-Y132 VanDerWaalsContact OE2-CE2 3.29Å; E130-Y132 WeakPolarHBondContact OE2-CE2 3.44Å; E130-K183 WeakPolarHBondContact O-CE 3.43Å; E130-K183 PolarHBondContact O-NZ 3.44Å
131G97.6Very high97.8Very high0 Ų040.2 Ų40.20%022%0.215CC..  trans98.710.5179.800000113.6N128 W171 K183 G184N128-G131 WeakPolarHBondContact O-CA 3.31Å; N128-G131 PolarHBondContact O-N 2.95Å; N128-G131 PolarHBondContact OD1-N 3.3Å; G131-W171 VanDerWaalsContact CA-CE3 3.47Å; G131-W171 VanDerWaalsContact N-CZ3 3.27Å; G131-K183 CarbonylContact O-C 3.52Å; G131-K183 WeakPolarHBondContact O-CA 3.32Å; G131-K183 WeakPolarHBondContact O-CG 3.39Å; G131-G184 PolarHBondContact O-N 2.91Å
132Y98.3Very high97.9Very high116 Ų11639 Ų3946%0.45521%0.206SC..  trans-77.2138.5171.4-66.2-78000110.3M127 N128 E130 K183M127-Y132 WeakPolarHBondContact CA-O 3.3Å; N128-Y132 PolarHBondContact N-O 3.33Å; N128-Y132 PolarHBondContact OD1-N 2.92Å; N128-Y132 PolarHBondContact OD1-O 3.23Å; E130-Y132 HydrophobicContact CB-CD2 3.74Å; E130-Y132 HydrophobicContact CB-CE2 3.96Å; E130-Y132 WeakPolarHBondContact OE2-CD2 3.48Å; E130-Y132 VanDerWaalsContact OE2-CE2 3.29Å; E130-Y132 WeakPolarHBondContact OE2-CE2 3.44Å; Y132-K183 HydrophobicContact CD1-CG 4.31Å; Y132-K183 HydrophobicContact CE1-CD 4.02Å; Y132-K183 HydrophobicContact CE1-CG 4.26Å; Y132-K183 HydrophobicContact CE2-CD 4.23Å; Y132-K183 VanDerWaalsContact CE2-NZ 3.29Å; Y132-K183 PolarHBondContact OH-NZ 3.15Å
133L98.3Very high97.9Very high29 Ų2937.5 Ų37.515%0.15219%0.191CC..EExtended strand (participates in β ladder)trans-81.7135.8169.1-65.5165000108.1L91 I125 A126 M127 F145 L173 A181L91-L133 HydrophobicContact CD1-CB 4.23Å; I125-L133 HydrophobicContact CG2-CD2 4.09Å; A126-L133 VanDerWaalsContact O-CA 3.3Å; A126-L133 WeakPolarHBondContact O-CA 3.23Å; M127-L133 HydrophobicContact CB-CD2 4.12Å; M127-L133 HydrophobicContact CE-CD2 3.63Å; M127-L133 HydrophobicContact CE-CG 4.34Å; M127-L133 HydrophobicContact CG-CD2 4.44Å; L133-F145 HydrophobicContact CD2-CE1 4.46Å; L133-F145 HydrophobicContact CD2-CZ 4.25Å; L133-L173 HydrophobicContact CD1-CD1 3.43Å; L133-L173 VanDerWaalsContact CD1-CD1 3.43Å; L133-L173 HydrophobicContact CD2-CD1 4.07Å; L133-L173 HydrophobicContact CG-CD1 4.4Å; L133-A181 HydrophobicContact CD1-CB 4.25Å
134Y98Very high98Very high66 Ų6638.6 Ų38.626%0.25919%0.194SC..EExtended strand (participates in β ladder)trans-147.5154.2179.574.1-83.7000110.7A126 N128 E142A126-Y134 HydrophobicContact CB-CD1 3.98Å; A126-Y134 HydrophobicContact CB-CD2 4.36Å; A126-Y134 HydrophobicContact CB-CE1 3.43Å; A126-Y134 VanDerWaalsContact CB-CE1 3.43Å; A126-Y134 HydrophobicContact CB-CE2 3.86Å; A126-Y134 HydrophobicContact CB-CG 4.41Å; A126-Y134 PolarHBondContact N-O 3.11Å; A126-Y134 PolarHBondContact O-N 2.95Å; N128-Y134 HydrophobicContact CB-CD1 4.01Å; N128-Y134 HydrophobicContact CB-CE1 3.75Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.5Å; Y134-E142 PolarHBondContact OH-OE2 2.85Å
135P97.7Very high98Very high49 Ų4937.4 Ų37.432%0.31819%0.19SC..EExtended strand (participates in β ladder)trans-77.9135.8173.532-35.2000111.1G89 L123 Y124G89-P135 WeakPolarHBondContact O-CB 3.26Å; G89-P135 WeakPolarHBondContact O-CG 3.34Å; L123-P135 HydrophobicContact CB-CB 4.17Å; L123-P135 HydrophobicContact CD1-CB 3.91Å; Y124-P135 CarbonylContact O-C 3.58Å; Y124-P135 WeakPolarHBondContact O-CA 3.31Å
136S97.7Very high98Very high8 Ų841.8 Ų41.86%0.05621%0.209CC..EExtended strand (participates in β ladder)trans-125.3129.1176.1-174.80000110.6Y124 L138Y124-S136 PolarHBondContact N-O 3.36Å; Y124-S136 PolarHBondContact O-N 2.93Å; S136-L138 PolarHBondContact OG-O 3.23Å
137E96.8Very high97.9Very high160 Ų16043.9 Ų43.975%0.74822%0.218SC*.SBendtrans-69.7-41.7171.6-69.5179.5-173.300111.4L123L123-E137 HydrophobicContact CD2-CB 4.25Å; L123-E137 HydrophobicContact CD2-CG 3.42Å; L123-E137 VanDerWaalsContact CD2-CG 3.42Å
138L97Very high97.9Very high49 Ų4945.8 Ų45.826%0.25723%0.232SC..SBendtrans-88.5144.2-179.9-58.8-176.4000110.7S136 T140 H212 T217S136-L138 PolarHBondContact OG-O 3.23Å; L138-T140 HydrophobicContact CB-CG2 4.37Å; L138-T140 PolarHBondContact O-N 2.91Å; L138-H212 HydrophobicContact CB-CB 4.24Å; L138-H212 HydrophobicContact CD1-CB 4.19Å; L138-T217 HydrophobicContact CD1-CG2 3.59Å; L138-T217 HydrophobicContact CG-CG2 4.09Å
139F97.6Very high97.9Very high10 Ų1047.1 Ų47.14%0.04424%0.241CC..BIsolated β-bridgetrans-79.9105.9171.2179.5-113.5000109.9V109 A115 Y124 C143 K144 P209 L211 H212V109-F139 HydrophobicContact CB-CZ 4.03Å; V109-F139 HydrophobicContact CG1-CE1 4.4Å; V109-F139 HydrophobicContact CG1-CE2 4.28Å; V109-F139 HydrophobicContact CG1-CZ 3.75Å; V109-F139 HydrophobicContact CG2-CZ 4.04Å; A115-F139 HydrophobicContact CB-CD2 4.15Å; A115-F139 HydrophobicContact CB-CE2 3.6Å; A115-F139 HydrophobicContact CB-CZ 4.43Å; Y124-F139 HydrophobicContact CD1-CD2 4.24Å; Y124-F139 HydrophobicContact CD2-CB 4.25Å; Y124-F139 HydrophobicContact CE1-CD2 4.23Å; Y124-F139 HydrophobicContact CE2-CB 3.89Å; F139-C143 HydrophobicContact CD2-CB 3.58Å; F139-C143 HydrophobicContact CE2-CB 3.73Å; F139-K144 HydrophobicContact CE2-CG 4.16Å; F139-K144 HydrophobicContact CZ-CD 4.34Å; F139-K144 HydrophobicContact CZ-CG 3.79Å; F139-P209 HydrophobicContact CB-CB 3.73Å; F139-P209 HydrophobicContact CD1-CB 3.55Å; F139-P209 HydrophobicContact CD1-CG 4.5Å; F139-P209 HydrophobicContact CD2-CB 4.24Å; F139-P209 HydrophobicContact CE1-CB 4.16Å; F139-P209 HydrophobicContact CG-CB 3.57Å; F139-P209 HydrophobicContact CG-CG 4.46Å; F139-L211 HydrophobicContact CD1-CB 4.43Å; F139-L211 HydrophobicContact CD1-CD1 3.91Å; F139-L211 HydrophobicContact CE1-CD1 3.81Å; F139-L211 WeakPolarHBondContact O-CA 3.48Å; F139-H212 PolarHBondContact O-N 2.94Å
140T98Very high97.9Very high6 Ų646.3 Ų46.34%0.03723%0.226CC..  trans-110.7169.3178.569.60000110.8L138 E142 C143 H212L138-T140 HydrophobicContact CB-CG2 4.37Å; L138-T140 PolarHBondContact O-N 2.91Å; T140-E142 PolarHBondContact O-N 2.92Å; T140-E142 VanDerWaalsContact O-N 3.14Å; T140-E142 PolarHBondContact OG1-N 2.88Å; T140-C143 PolarHBondContact N-SG 2.91Å; T140-C143 VanDerWaalsContact N-SG 3.44Å; T140-C143 WeakPolarHBondContact O-CB 3.28Å; T140-C143 PolarHBondContact O-N 3.1Å; T140-H212 HydrophobicContact CG2-CB 4.47Å
141P97.9Very high97.7Very high31 Ų3147 Ų4720%0.20123%0.23CC..G310 helixtrans-52.9-27.3169.4-31.137.9000114.5C143 K144 L161 L211 H212 V214P141-C143 VanDerWaalsContact C-N 3.26Å; P141-C143 PolarHBondContact O-N 3.28Å; P141-K144 WeakPolarHBondContact O-CB 3.48Å; P141-K144 PolarHBondContact O-N 3.42Å; P141-L161 HydrophobicContact CB-CD1 3.81Å; P141-L161 HydrophobicContact CB-CD2 4.27Å; P141-L161 HydrophobicContact CB-CG 4.42Å; P141-L211 HydrophobicContact CG-CD1 4.08Å; P141-H212 WeakPolarHBondContact CD-O 3.41Å; P141-V214 HydrophobicContact CB-CG2 4.49Å; P141-V214 HydrophobicContact CG-CG2 4.41Å
142E98.3Very high97.4Very high12 Ų1252.3 Ų52.36%0.05626%0.258CS..G310 helixtrans-71.2-19176.7-64.3-166.5152.500113.3A126 M127 N128 Y134 T140 K144 L161 Y162 V214A126-E142 WeakPolarHBondContact CA-O 3.19Å; A126-E142 HydrophobicContact CB-CB 4.11Å; M127-E142 PolarHBondContact N-O 2.82Å; M127-E142 VanDerWaalsContact N-O 3.13Å; M127-E142 WeakPolarHBondContact O-CB 3.49Å; N128-E142 WeakPolarHBondContact CA-OE1 3.24Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.5Å; Y134-E142 PolarHBondContact OH-OE2 2.85Å; T140-E142 PolarHBondContact O-N 2.92Å; T140-E142 VanDerWaalsContact O-N 3.14Å; T140-E142 PolarHBondContact OG1-N 2.88Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.11Å; E142-L161 HydrophobicContact CG-CD1 3.91Å; E142-Y162 HydrophobicContact CG-CE2 3.95Å; E142-Y162 PolarHBondContact OE1-OH 2.87Å; E142-V214 HydrophobicContact CG-CG1 4.36Å; E142-V214 HydrophobicContact CG-CG2 3.95Å
143C98.5Very high97.2Very high0 Ų053.5 Ų53.50%026%0.263CS..G310 helixtrans-79.6-5.7174.8-56.10000113.5I125 F139 T140 P141 F145I125-C143 WeakPolarHBondContact O-CA 3.44Å; F139-C143 HydrophobicContact CD2-CB 3.58Å; F139-C143 HydrophobicContact CE2-CB 3.73Å; T140-C143 PolarHBondContact N-SG 2.91Å; T140-C143 VanDerWaalsContact N-SG 3.44Å; T140-C143 WeakPolarHBondContact O-CB 3.28Å; T140-C143 PolarHBondContact O-N 3.1Å; P141-C143 VanDerWaalsContact C-N 3.26Å; P141-C143 PolarHBondContact O-N 3.28Å; C143-F145 WeakPolarHBondContact O-CD2 3.32Å
144K98.6Very high97.2Very high51 Ų5154 Ų5422%0.22226%0.263CS..  trans-89.4115.3-176.1-63.6-174.5-178.41790110.8V109 V113 F139 P141 E142 M160V109-K144 HydrophobicContact CG2-CG 4.24Å; V113-K144 HydrophobicContact CG1-CB 3.85Å; V113-K144 HydrophobicContact CG1-CG 4.41Å; F139-K144 HydrophobicContact CE2-CG 4.16Å; F139-K144 HydrophobicContact CZ-CD 4.34Å; F139-K144 HydrophobicContact CZ-CG 3.79Å; P141-K144 WeakPolarHBondContact O-CB 3.48Å; P141-K144 PolarHBondContact O-N 3.42Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.11Å; K144-M160 HydrophobicContact CB-CB 4.03Å; K144-M160 HydrophobicContact CB-CG 3.79Å; K144-M160 WeakPolarHBondContact O-CB 3.13Å; K144-M160 VanDerWaalsContact O-CG 3.27Å; K144-M160 WeakPolarHBondContact O-CG 3.31Å; K144-M160 PolarHBondContact O-N 3.44Å; K144-M160 VanDerWaalsContact O-N 3.15Å
145F98.8Very high97.2Very high0 Ų052 Ų520%026%0.258CS..EExtended strand (participates in β ladder)trans-108.5127.5174.3-67.5-87.4000111.3V113 V114 I116 I125 M127 L133 C143 E147 Y157 S158V113-F145 CarbonylContact C-O 3.57Å; V113-F145 VanDerWaalsContact CA-O 3.31Å; V113-F145 WeakPolarHBondContact CA-O 3.14Å; V114-F145 HydrophobicContact CG2-CB 4.3Å; V114-F145 PolarHBondContact N-O 3.3Å; V114-F145 PolarHBondContact O-N 3.21Å; I116-F145 HydrophobicContact CD1-CD2 4.18Å; I116-F145 HydrophobicContact CD1-CG 4.45Å; I116-F145 HydrophobicContact CG1-CD2 4.25Å; I125-F145 HydrophobicContact CB-CE2 4.32Å; I125-F145 HydrophobicContact CG2-CE2 4.07Å; I125-F145 HydrophobicContact CG2-CZ 3.96Å; I125-F145 WeakPolarHBondContact O-CE2 3.47Å; M127-F145 HydrophobicContact CB-CE1 4.33Å; M127-F145 HydrophobicContact CB-CZ 4.26Å; M127-F145 HydrophobicContact CE-CE1 4.26Å; L133-F145 HydrophobicContact CD2-CE1 4.46Å; L133-F145 HydrophobicContact CD2-CZ 4.25Å; C143-F145 WeakPolarHBondContact O-CD2 3.32Å; F145-E147 PolarHBondContact O-N 3.05Å; F145-Y157 HydrophobicContact CB-CD1 4.48Å; F145-S158 CarbonylContact C-O 3.58Å; F145-S158 VanDerWaalsContact CA-O 3.29Å; F145-S158 WeakPolarHBondContact CA-O 3.42Å
146K98.6Very high97.3Very high91 Ų9149.8 Ų49.840%0.39624%0.243SC..EExtended strand (participates in β ladder)trans-74.9114.5166.6-177.4175.3-176.8172.80109.2R112 S158 M160R112-K146 CarbonylContact O-C 3.59Å; R112-K146 WeakPolarHBondContact O-CA 3.42Å; K146-S158 PolarHBondContact N-O 3.2Å; K146-S158 PolarHBondContact O-N 2.89Å; K146-S158 PolarHBondContact O-OG 3.39Å; K146-M160 HydrophobicContact CB-CG 4.44Å; K146-M160 HydrophobicContact CB-SD 3.76Å
147E97.8Very high97.3Very high44 Ų4449.4 Ų49.421%0.20624%0.24CC..EExtended strand (participates in β ladder)trans-78.4140.5170.255.1161.8-149.700110.5R112 V114 F145 V155 I156 Y157R112-E147 HydrophobicContact CB-CG 4.07Å; R112-E147 WeakPolarHBondContact CD-OE1 3.44Å; R112-E147 IonicContact NH1-OE1 3.52Å; R112-E147 VanDerWaalsContact O-CG 3.32Å; R112-E147 WeakPolarHBondContact O-CG 3.3Å; R112-E147 PolarHBondContact O-N 3.24Å; V114-E147 HydrophobicContact CG1-CG 4.21Å; F145-E147 PolarHBondContact O-N 3.05Å; E147-V155 HydrophobicContact CB-CG1 4.26Å; E147-I156 CarbonylContact C-O 3.59Å; E147-I156 WeakPolarHBondContact CA-O 3.36Å; E147-Y157 HydrophobicContact CB-CD1 4.01Å; E147-Y157 HydrophobicContact CB-CE1 3.92Å
148S97.7Very high97.4Very high40 Ų4042.1 Ų42.128%0.2821%0.207SC..EExtended strand (participates in β ladder)trans-148.1153.3175.1-70.70000109.8V155 I156S148-V155 CarbonylContact O-C 3.51Å; S148-V155 WeakPolarHBondContact O-CA 3.32Å; S148-I156 PolarHBondContact N-O 2.94Å; S148-I156 WeakPolarHBondContact O-CG1 3.46Å; S148-I156 PolarHBondContact O-N 2.69Å
149V97.4Very high97.5Very high67 Ų6739.8 Ų39.841%0.40620%0.195SC..EExtended strand (participates in β ladder)trans-92.6141.2176.4-1750000109.5N152 Y154V149-N152 VanDerWaalsContact CG1-CA 3.47Å; V149-Y154 CarbonylContact C-O 3.59Å; V149-Y154 WeakPolarHBondContact CA-O 3.42Å
150F97.1Very high97.5Very high23 Ų2343 Ų4310%0.10121%0.211CC..EExtended strand (participates in β ladder)trans-118.8129.9172.8-175.5-98.4000109.6N152 Y153 Y154 I156 K189 T190 H195F150-N152 PolarHBondContact O-N 3.03Å; F150-Y153 PolarHBondContact O-N 2.82Å; F150-Y154 HydrophobicContact CD1-CD2 4.35Å; F150-Y154 PolarHBondContact N-O 3.47Å; F150-Y154 PolarHBondContact O-N 2.93Å; F150-I156 HydrophobicContact CB-CG2 3.96Å; F150-K189 HydrophobicContact CD2-CD 4.36Å; F150-K189 HydrophobicContact CD2-CG 3.79Å; F150-K189 HydrophobicContact CE2-CG 4.09Å; F150-T190 HydrophobicContact CE2-CG2 4.19Å; F150-T190 HydrophobicContact CZ-CG2 4.34Å; F150-H195 AromaticContact CD1-CE1 3.26Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.29Å; F150-H195 AromaticContact CD1-ND1 3.93Å; F150-H195 AromaticContact CD1-NE2 3.39Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.19Å; F150-H195 AromaticContact CE1-CE1 3.22Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.43Å; F150-H195 AromaticContact CE1-NE2 3.49Å; F150-H195 WeakPolarHBondContact CE1-NE2 3.47Å
151E94.1Very high97.5Very high135 Ų13546.6 Ų46.663%0.63123%0.229SC*.THydrogen-bonded Turntrans49.730.6-178-68.9174.5176.700114.2Y153E151-Y153 PolarHBondContact O-N 3.46Å
152N92.1Very high97.5Very high112 Ų11247.7 Ų47.760%0.59923%0.23SC*.THydrogen-bonded Turntrans5714.3-176.7-63.22.1000115.4V149 F150V149-N152 VanDerWaalsContact CG1-CA 3.47Å; F150-N152 PolarHBondContact O-N 3.03Å
153Y93.9Very high97.5Very high140 Ų14051.3 Ų51.355%0.54924%0.243SC..THydrogen-bonded Turntrans-129.4-49.7-173.1-173.1-104.9000112.5F150 E151F150-Y153 PolarHBondContact O-N 2.82Å; E151-Y153 PolarHBondContact O-N 3.46Å
154Y98.2Very high97.4Very high39 Ų3954.6 Ų54.615%0.15326%0.259CS..EExtended strand (participates in β ladder)trans-92.1149.1-178.1-60.5-72.9000111.7R78 V149 F150 H195R78-Y154 HydrophobicContact CB-CE1 3.99Å; R78-Y154 VanDerWaalsContact CD-CZ 3.49Å; R78-Y154 WeakPolarHBondContact CD-OH 3.34Å; R78-Y154 HydrophobicContact CG-CE1 4Å; R78-Y154 PolarHBondContact NE-OH 2.75Å; V149-Y154 CarbonylContact C-O 3.59Å; V149-Y154 WeakPolarHBondContact CA-O 3.42Å; F150-Y154 HydrophobicContact CD1-CD2 4.35Å; F150-Y154 PolarHBondContact N-O 3.47Å; F150-Y154 PolarHBondContact O-N 2.93Å; Y154-H195 HydrophobicContact CD1-CB 3.64Å; Y154-H195 HydrophobicContact CD2-CB 4.15Å; Y154-H195 AromaticContact CD2-CG 3.93Å; Y154-H195 AromaticContact CD2-ND1 3.33Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.33Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.13Å; Y154-H195 HydrophobicContact CE1-CB 4.22Å; Y154-H195 AromaticContact CE2-ND1 3.66Å; Y154-H195 HydrophobicContact CG-CB 3.59Å; Y154-H195 AromaticContact CG-CG 3.82Å; Y154-H195 AromaticContact CG-ND1 3.72Å
155V98.5Very high97.1Very high25 Ų2560.8 Ų60.815%0.15229%0.288CS..EExtended strand (participates in β ladder)trans-100.3136.2166.9-1750000108.7E147 S148 Y157 F196 P198E147-V155 HydrophobicContact CB-CG1 4.26Å; S148-V155 CarbonylContact O-C 3.51Å; S148-V155 WeakPolarHBondContact O-CA 3.32Å; V155-Y157 HydrophobicContact CG1-CD1 4.46Å; V155-Y157 HydrophobicContact CG1-CE1 3.82Å; V155-Y157 HydrophobicContact CG1-CE2 4.03Å; V155-F196 PolarHBondContact N-O 2.89Å; V155-F196 PolarHBondContact O-N 2.75Å; V155-P198 HydrophobicContact CB-CG 4.17Å; V155-P198 HydrophobicContact CG2-CG 3.84Å
156I98.6Very high96.9Very high2 Ų269.8 Ų69.81%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-119.5141.3174.370-174.7000108.6E147 S148 F150 F172 K189 A194E147-I156 CarbonylContact C-O 3.59Å; E147-I156 WeakPolarHBondContact CA-O 3.36Å; S148-I156 PolarHBondContact N-O 2.94Å; S148-I156 WeakPolarHBondContact O-CG1 3.46Å; S148-I156 PolarHBondContact O-N 2.69Å; F150-I156 HydrophobicContact CB-CG2 3.96Å; I156-F172 HydrophobicContact CB-CD1 4.21Å; I156-F172 HydrophobicContact CB-CE1 4.34Å; I156-F172 HydrophobicContact CD1-CD1 4.31Å; I156-F172 HydrophobicContact CD1-CE1 3.6Å; I156-F172 HydrophobicContact CD1-CZ 4.32Å; I156-F172 HydrophobicContact CG1-CD1 4.31Å; I156-F172 HydrophobicContact CG1-CE1 3.97Å; I156-K189 HydrophobicContact CD1-CB 4.31Å; I156-K189 HydrophobicContact CD1-CD 3.61Å; I156-K189 HydrophobicContact CD1-CG 3.55Å; I156-A194 HydrophobicContact CG2-CB 4.4Å; I156-A194 WeakPolarHBondContact CG2-O 3.44Å
157Y98.8Very high96.8Very high1 Ų169.7 Ų69.70%0.00434%0.341CS..EExtended strand (participates in β ladder)trans-115.5117179.6-58.8-77000109L75 L106 V114 I116 F145 E147 V155 F172 L173 F196L75-Y157 HydrophobicContact CD1-CE2 4.22Å; L75-Y157 HydrophobicContact CD2-CE2 4.09Å; L75-Y157 WeakPolarHBondContact CD2-OH 3.47Å; L106-Y157 HydrophobicContact CD1-CE1 4.43Å; V114-Y157 HydrophobicContact CG2-CD1 3.83Å; V114-Y157 HydrophobicContact CG2-CE1 3.81Å; I116-Y157 HydrophobicContact CD1-CD1 4.2Å; I116-Y157 HydrophobicContact CD1-CD2 4.42Å; I116-Y157 HydrophobicContact CD1-CG 4.13Å; F145-Y157 HydrophobicContact CB-CD1 4.48Å; E147-Y157 HydrophobicContact CB-CD1 4.01Å; E147-Y157 HydrophobicContact CB-CE1 3.92Å; V155-Y157 HydrophobicContact CG1-CD1 4.46Å; V155-Y157 HydrophobicContact CG1-CE1 3.82Å; V155-Y157 HydrophobicContact CG1-CE2 4.03Å; Y157-F172 CarbonylContact O-C 3.55Å; Y157-F172 VanDerWaalsContact O-CA 3.28Å; Y157-F172 WeakPolarHBondContact O-CA 3.4Å; Y157-L173 HydrophobicContact CD2-CD2 4.12Å; Y157-L173 PolarHBondContact O-N 2.8Å; Y157-F196 HydrophobicContact CD2-CD2 4.23Å; Y157-F196 HydrophobicContact CE2-CB 4.15Å; Y157-F196 HydrophobicContact CE2-CG 4.44Å
158S98.6Very high96.7Very high6 Ų669.7 Ų69.74%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-112.9146.7179.959.20000112.3F145 K146 M160 W171F145-S158 CarbonylContact C-O 3.58Å; F145-S158 VanDerWaalsContact CA-O 3.29Å; F145-S158 WeakPolarHBondContact CA-O 3.42Å; K146-S158 PolarHBondContact N-O 3.2Å; K146-S158 PolarHBondContact O-N 2.89Å; K146-S158 PolarHBondContact O-OG 3.39Å; S158-M160 PolarHBondContact O-N 2.87Å; S158-W171 CarbonylContact C-O 3.49Å; S158-W171 WeakPolarHBondContact CA-O 3.25Å; S158-W171 VanDerWaalsContact CB-O 3.31Å; S158-W171 WeakPolarHBondContact CB-O 3.01Å
159S98.5Very high96.7Very high1 Ų171.3 Ų71.31%0.00735%0.352CS..EExtended strand (participates in β ladder)trans-55.9136.2172.5179.40000110.4L161 Y162 R163 W171S159-L161 VanDerWaalsContact C-N 3.32Å; S159-L161 PolarHBondContact OG-N 3.22Å; S159-Y162 PolarHBondContact OG-N 3.3Å; S159-R163 PolarHBondContact O-NH2 3.21Å; S159-W171 PolarHBondContact N-O 3.5Å
160M97.8Very high96.7Very high78 Ų7868.5 Ų68.538%0.38434%0.337SS..EExtended strand (participates in β ladder)trans-71.7-29.6170.7-81.2-68.5-65.200112.2V113 K144 K146 S158V113-M160 HydrophobicContact CG1-CG 3.89Å; V113-M160 HydrophobicContact CG1-SD 4.26Å; V113-M160 HydrophobicContact CG2-CE 4.08Å; V113-M160 HydrophobicContact CG2-CG 4.46Å; V113-M160 HydrophobicContact CG2-SD 3.73Å; K144-M160 HydrophobicContact CB-CB 4.03Å; K144-M160 HydrophobicContact CB-CG 3.79Å; K144-M160 WeakPolarHBondContact O-CB 3.13Å; K144-M160 VanDerWaalsContact O-CG 3.27Å; K144-M160 WeakPolarHBondContact O-CG 3.31Å; K144-M160 PolarHBondContact O-N 3.44Å; K144-M160 VanDerWaalsContact O-N 3.15Å; K146-M160 HydrophobicContact CB-CG 4.44Å; K146-M160 HydrophobicContact CB-SD 3.76Å; S158-M160 PolarHBondContact O-N 2.87Å
161L97.3Very high96.8Very high80 Ų8068.6 Ų68.642%0.41934%0.336SS..EExtended strand (participates in β ladder)trans-96.4-44.8-174-59.6178.5000112.7P141 E142 S159P141-L161 HydrophobicContact CB-CD1 3.81Å; P141-L161 HydrophobicContact CB-CD2 4.27Å; P141-L161 HydrophobicContact CB-CG 4.42Å; E142-L161 HydrophobicContact CG-CD1 3.91Å; S159-L161 VanDerWaalsContact C-N 3.32Å; S159-L161 PolarHBondContact OG-N 3.22Å
162Y98.1Very high97Very high54 Ų5462.7 Ų62.721%0.21231%0.309CS..EExtended strand (participates in β ladder)trans-105.2131.3-162.7-53-57.2000113.3M127 N128 G129 E142 S159 W171M127-Y162 WeakPolarHBondContact O-CD2 3.35Å; M127-Y162 WeakPolarHBondContact O-CE2 3.32Å; N128-Y162 VanDerWaalsContact O-CD2 3.27Å; N128-Y162 WeakPolarHBondContact O-CD2 3.48Å; G129-Y162 VanDerWaalsContact CA-CZ 3.49Å; E142-Y162 HydrophobicContact CG-CE2 3.95Å; E142-Y162 PolarHBondContact OE1-OH 2.87Å; S159-Y162 PolarHBondContact OG-N 3.3Å; Y162-W171 VanDerWaalsContact CB-CE3 3.41Å; Y162-W171 HydrophobicContact CG-CE3 4.35Å; Y162-W171 HydrophobicContact CG-CZ3 4.22Å
163R97.9Very high97.3Very high88 Ų8857.4 Ų57.433%0.33228%0.28SS..EExtended strand (participates in β ladder)trans-147.6160.5-178.9-55.5-175.3176-86.6-22.5108.9S159 Q165 R169S159-R163 PolarHBondContact O-NH2 3.21Å; R163-Q165 PolarHBondContact O-N 2.81Å; R163-R169 CarbonylContact C-O 3.58Å; R163-R169 WeakPolarHBondContact CA-O 3.33Å
164Q96.8Very high97.5Very high70 Ų7050.8 Ų50.833%0.32725%0.254SS..  trans-62.9125.6168.7-165.872.553.600109.2E166 G168 R169Q164-E166 PolarHBondContact O-N 3.03Å; Q164-G168 VanDerWaalsContact O-CA 3.28Å; Q164-G168 WeakPolarHBondContact O-CA 3.35Å; Q164-G168 PolarHBondContact O-N 3.06Å; Q164-R169 HydrophobicContact CB-CB 4.08Å; Q164-R169 PolarHBondContact N-O 2.79Å; Q164-R169 VanDerWaalsContact OE1-NH2 3.16Å
165Q93.6Very high97.6Very high181 Ų18148.9 Ų48.985%0.84625%0.247SC*.THydrogen-bonded Turntrans-61.7-47.1-174.1-63.6-61.6-17.500112.8R163R163-Q165 PolarHBondContact O-N 2.81Å
166E94.5Very high97.6Very high189 Ų18949.2 Ų49.288%0.88325%0.248SC*.THydrogen-bonded Turntrans-75.6-49.9-177.4-63.9171.5-179.800112.8Q164Q164-E166 PolarHBondContact O-N 3.03Å
167S95.1Very high97.5Very high89 Ų8956.4 Ų56.462%0.62228%0.279SS*.THydrogen-bonded Turntrans-84.6-15.9-172.7167.40000113.8R169S167-R169 PolarHBondContact O-N 2.93Å; S167-R169 VanDerWaalsContact O-N 3.15Å
168G96.4Very high97.5Very high43 Ų4362.1 Ų62.144%0.44331%0.306SS..  trans68.44-170.900000114.6Q164 A170Q164-G168 VanDerWaalsContact O-CA 3.28Å; Q164-G168 WeakPolarHBondContact O-CA 3.35Å; Q164-G168 PolarHBondContact O-N 3.06Å; G168-A170 PolarHBondContact O-N 2.83Å
169R97.4Very high97.5Very high74 Ų7461.9 Ų61.928%0.27930%0.304SS..PPolyproline II helixtrans-63.5124.2-178-178.7178.26182.4-1.7110.9R163 Q164 S167 N185R163-R169 CarbonylContact C-O 3.58Å; R163-R169 WeakPolarHBondContact CA-O 3.33Å; Q164-R169 HydrophobicContact CB-CB 4.08Å; Q164-R169 PolarHBondContact N-O 2.79Å; Q164-R169 VanDerWaalsContact OE1-NH2 3.16Å; S167-R169 PolarHBondContact O-N 2.93Å; S167-R169 VanDerWaalsContact O-N 3.15Å; R169-N185 PolarHBondContact NH1-O 3.04Å; R169-N185 PolarHBondContact NH2-O 3.14Å
170A98.1Very high97.5Very high9 Ų967.4 Ų67.47%0.07433%0.33CS..EExtended strand (participates in β ladder)trans-65.1154.7178.900000112.4G168 F172G168-A170 PolarHBondContact O-N 2.83Å; A170-F172 HydrophobicContact CB-CD2 4.5Å; A170-F172 HydrophobicContact CB-CE1 4.29Å; A170-F172 HydrophobicContact CB-CE2 3.76Å; A170-F172 HydrophobicContact CB-CZ 3.63Å; A170-F172 VanDerWaalsContact O-CD2 3.32Å; A170-F172 WeakPolarHBondContact O-CD2 3.3Å; A170-F172 WeakPolarHBondContact O-CE2 3.29Å
171W98.6Very high97.5Very high25 Ų2565.6 Ų65.610%0.09533%0.327CS..EExtended strand (participates in β ladder)trans-98.1142.1168.7-63.21.6000109.5M127 G129 G131 S158 S159 Y162 G184 N185M127-W171 HydrophobicContact SD-CB 3.74Å; M127-W171 HydrophobicContact SD-CE3 4.14Å; G129-W171 VanDerWaalsContact O-CH2 3.31Å; G129-W171 WeakPolarHBondContact O-CH2 3.44Å; G129-W171 WeakPolarHBondContact O-CZ3 3.41Å; G131-W171 VanDerWaalsContact CA-CE3 3.47Å; G131-W171 VanDerWaalsContact N-CZ3 3.27Å; S158-W171 CarbonylContact C-O 3.49Å; S158-W171 WeakPolarHBondContact CA-O 3.25Å; S158-W171 VanDerWaalsContact CB-O 3.31Å; S158-W171 WeakPolarHBondContact CB-O 3.01Å; S159-W171 PolarHBondContact N-O 3.5Å; Y162-W171 VanDerWaalsContact CB-CE3 3.41Å; Y162-W171 HydrophobicContact CG-CE3 4.35Å; Y162-W171 HydrophobicContact CG-CZ3 4.22Å; W171-G184 VanDerWaalsContact CA-O 3.31Å; W171-G184 WeakPolarHBondContact CA-O 3.46Å; W171-N185 HydrophobicContact CD2-CB 3.8Å; W171-N185 VanDerWaalsContact CE2-CB 3.47Å; W171-N185 HydrophobicContact CE3-CB 4.49Å; W171-N185 HydrophobicContact CG-CB 4.03Å; W171-N185 HydrophobicContact CZ2-CB 3.89Å
172F98.7Very high97.5Very high11 Ų1164 Ų645%0.04832%0.318CS..EExtended strand (participates in β ladder)trans-127.4147-168.5-62.8-89.8000112I156 Y157 A170 G184 V187 K189 A194I156-F172 HydrophobicContact CB-CD1 4.21Å; I156-F172 HydrophobicContact CB-CE1 4.34Å; I156-F172 HydrophobicContact CD1-CD1 4.31Å; I156-F172 HydrophobicContact CD1-CE1 3.6Å; I156-F172 HydrophobicContact CD1-CZ 4.32Å; I156-F172 HydrophobicContact CG1-CD1 4.31Å; I156-F172 HydrophobicContact CG1-CE1 3.97Å; Y157-F172 CarbonylContact O-C 3.55Å; Y157-F172 VanDerWaalsContact O-CA 3.28Å; Y157-F172 WeakPolarHBondContact O-CA 3.4Å; A170-F172 HydrophobicContact CB-CD2 4.5Å; A170-F172 HydrophobicContact CB-CE1 4.29Å; A170-F172 HydrophobicContact CB-CE2 3.76Å; A170-F172 HydrophobicContact CB-CZ 3.63Å; A170-F172 VanDerWaalsContact O-CD2 3.32Å; A170-F172 WeakPolarHBondContact O-CD2 3.3Å; A170-F172 WeakPolarHBondContact O-CE2 3.29Å; F172-G184 PolarHBondContact N-O 3.16Å; F172-G184 VanDerWaalsContact N-O 3.08Å; F172-G184 VanDerWaalsContact O-CA 3.26Å; F172-G184 WeakPolarHBondContact O-CA 3.49Å; F172-V187 HydrophobicContact CB-CB 3.98Å; F172-V187 HydrophobicContact CB-CG1 3.66Å; F172-K189 HydrophobicContact CE1-CB 4.3Å; F172-K189 HydrophobicContact CE2-CB 3.92Å; F172-K189 HydrophobicContact CZ-CB 3.67Å; F172-K189 HydrophobicContact CZ-CD 4.49Å; F172-K189 HydrophobicContact CZ-CG 4.44Å; F172-A194 HydrophobicContact CB-CB 4.41Å
173L98.6Very high97.5Very high1 Ų163.8 Ų63.81%0.00532%0.319CS..  trans-60.1138.115917461.5000108.7L83 I116 L133 Y157 F196L83-L173 HydrophobicContact CD2-CD2 4.23Å; I116-L173 HydrophobicContact CD1-CD2 4.02Å; L133-L173 HydrophobicContact CD1-CD1 3.43Å; L133-L173 VanDerWaalsContact CD1-CD1 3.43Å; L133-L173 HydrophobicContact CD2-CD1 4.07Å; L133-L173 HydrophobicContact CG-CD1 4.4Å; Y157-L173 HydrophobicContact CD2-CD2 4.12Å; Y157-L173 PolarHBondContact O-N 2.8Å; L173-F196 HydrophobicContact CD2-CE2 4.31Å; L173-F196 HydrophobicContact CD2-CZ 4.26Å; L173-F196 HydrophobicContact CG-CE2 3.95Å; L173-F196 HydrophobicContact CG-CZ 3.91Å
174G98.5Very high97.6Very high0 Ų059.6 Ų59.60%030%0.303CS..  trans-172.5159.3175.400000114.3M182 A193G174-M182 PolarHBondContact O-N 3.09Å; G174-A193 WeakPolarHBondContact CA-O 3.33Å
175L98.7Very high97.6Very high0 Ų058.4 Ų58.40%030%0.299CS..BIsolated β-bridgetrans-114.3148.3175.8-58.5-179.5000110.3C77 L83 Q180 A181 A193 F196C77-L175 HydrophobicContact CB-CD1 3.87Å; C77-L175 HydrophobicContact CB-CG 4.4Å; L83-L175 HydrophobicContact CD1-CD1 4.45Å; L83-L175 HydrophobicContact CD1-CD2 4.05Å; L175-Q180 CarbonylContact C-O 3.47Å; L175-Q180 VanDerWaalsContact CA-O 3.3Å; L175-Q180 WeakPolarHBondContact CA-O 3.48Å; L175-A181 HydrophobicContact CD2-CB 4.36Å; L175-A193 PolarHBondContact N-O 2.93Å; L175-A193 VanDerWaalsContact O-CA 3.29Å; L175-A193 WeakPolarHBondContact O-CA 3.41Å; L175-A193 WeakPolarHBondContact O-CB 3.45Å; L175-F196 HydrophobicContact CG-CZ 4.48Å
176N98.2Very high97.8Very high31 Ų3158.6 Ų58.617%0.16629%0.292CS..  trans-78.6-16917268.66.6000111.3Q79 E178 G179 Q180 M182Q79-N176 WeakPolarHBondContact CB-O 3.48Å; Q79-N176 WeakPolarHBondContact CG-O 3.47Å; Q79-N176 PolarHBondContact NE2-O 3.12Å; Q79-N176 VanDerWaalsContact NE2-O 3.14Å; N176-E178 WeakPolarHBondContact CB-OE2 3.46Å; N176-E178 PolarHBondContact ND2-OE2 3.25Å; N176-E178 VanDerWaalsContact ND2-OE2 3.16Å; N176-E178 WeakPolarHBondContact OD1-CA 3.43Å; N176-E178 WeakPolarHBondContact OD1-CB 3.36Å; N176-E178 PolarHBondContact OD1-N 3.44Å; N176-E178 PolarHBondContact OD1-OE2 3.44Å; N176-G179 PolarHBondContact OD1-N 3.38Å; N176-Q180 PolarHBondContact N-O 3.38Å; N176-Q180 PolarHBondContact ND2-OE1 3.09Å; N176-Q180 PolarHBondContact OD1-N 3.18Å; N176-Q180 PolarHBondContact OD1-O 3.24Å; N176-M182 HydrophobicContact CB-CG 3.9Å; N176-M182 HydrophobicContact CB-SD 3.88Å
177K98.1Very high98Very high154 Ų15449.6 Ų49.667%0.6725%0.25SC*.THydrogen-bonded Turntrans-76.3-19-179.8-69.5-179.7179.4-178.50111.8Q79 Y81 G179Q79-K177 VanDerWaalsContact NE2-CG 3.33Å; Y81-K177 VanDerWaalsContact CE2-O 3.27Å; Y81-K177 WeakPolarHBondContact CE2-O 3.16Å; Y81-K177 PolarHBondContact OH-O 2.75Å; Y81-K177 VanDerWaalsContact OH-O 3.11Å; K177-G179 VanDerWaalsContact C-N 3.33Å
178E98.1Very high98.2Very high120 Ų12050.5 Ų50.556%0.56124%0.243SC*.THydrogen-bonded Turntrans-91.21.4-179.1-57.367.5-145.600111.9N176 Q180N176-E178 WeakPolarHBondContact CB-OE2 3.46Å; N176-E178 PolarHBondContact ND2-OE2 3.25Å; N176-E178 VanDerWaalsContact ND2-OE2 3.16Å; N176-E178 WeakPolarHBondContact OD1-CA 3.43Å; N176-E178 WeakPolarHBondContact OD1-CB 3.36Å; N176-E178 PolarHBondContact OD1-N 3.44Å; N176-E178 PolarHBondContact OD1-OE2 3.44Å; E178-Q180 HydrophobicContact CB-CG 4.41Å
179G97.9Very high98.2Very high2 Ų253 Ų532%0.02124%0.241CC..SBendtrans82.84.2-179.900000114.7D92 G93 N176 K177D92-G179 CarbonylContact C-O 3.53Å; G93-G179 VanDerWaalsContact CA-O 3.29Å; G93-G179 WeakPolarHBondContact CA-O 3.47Å; G93-G179 PolarHBondContact N-O 3.43Å; N176-G179 PolarHBondContact OD1-N 3.38Å; K177-G179 VanDerWaalsContact C-N 3.33Å
180Q98.3Very high98.2Very high116 Ų11654 Ų5454%0.54226%0.255SS..BIsolated β-bridgetrans-86.2143.9-177.4-53.3171.7-42.700112L175 N176 E178 M182L175-Q180 CarbonylContact C-O 3.47Å; L175-Q180 VanDerWaalsContact CA-O 3.3Å; L175-Q180 WeakPolarHBondContact CA-O 3.48Å; N176-Q180 PolarHBondContact N-O 3.38Å; N176-Q180 PolarHBondContact ND2-OE1 3.09Å; N176-Q180 PolarHBondContact OD1-N 3.18Å; N176-Q180 PolarHBondContact OD1-O 3.24Å; E178-Q180 HydrophobicContact CB-CG 4.41Å; Q180-M182 PolarHBondContact O-N 3.38Å
181A98.2Very high98.2Very high40 Ų4059.1 Ų59.133%0.33128%0.276SS..BIsolated β-bridgetrans-61.5132.7175.100000112L91 L133 L175L91-A181 HydrophobicContact CB-CB 4.29Å; L91-A181 VanDerWaalsContact O-CB 3.3Å; L91-A181 WeakPolarHBondContact O-CB 3.39Å; L133-A181 HydrophobicContact CD1-CB 4.25Å; L175-A181 HydrophobicContact CD2-CB 4.36Å
182M98.3Very high98.2Very high47 Ų4759.9 Ų59.923%0.23228%0.284CS..PPolyproline II helixtrans-100.8148.3-178.4-66.3-178.269.100112.1G174 N176 Q180 G184 R186 V187 A193G174-M182 PolarHBondContact O-N 3.09Å; N176-M182 HydrophobicContact CB-CG 3.9Å; N176-M182 HydrophobicContact CB-SD 3.88Å; Q180-M182 PolarHBondContact O-N 3.38Å; M182-G184 PolarHBondContact O-N 3.44Å; M182-R186 HydrophobicContact CE-CB 4.2Å; M182-V187 HydrophobicContact CB-CG2 3.5Å; M182-V187 VanDerWaalsContact CB-CG2 3.5Å; M182-V187 HydrophobicContact CE-CG2 4.38Å; M182-V187 HydrophobicContact CG-CG2 4.4Å; M182-V187 HydrophobicContact SD-CG2 4.17Å; M182-A193 HydrophobicContact SD-CB 3.81Å
183K98.3Very high98.2Very high49 Ų4959.8 Ų59.821%0.21329%0.286CS..PPolyproline II helixtrans-58.2127.2167.1-161175.9-179158.10109.9E130 G131 Y132 N185 R186 V187E130-K183 WeakPolarHBondContact O-CE 3.43Å; E130-K183 PolarHBondContact O-NZ 3.44Å; G131-K183 CarbonylContact O-C 3.52Å; G131-K183 WeakPolarHBondContact O-CA 3.32Å; G131-K183 WeakPolarHBondContact O-CG 3.39Å; Y132-K183 HydrophobicContact CD1-CG 4.31Å; Y132-K183 HydrophobicContact CE1-CD 4.02Å; Y132-K183 HydrophobicContact CE1-CG 4.26Å; Y132-K183 HydrophobicContact CE2-CD 4.23Å; Y132-K183 VanDerWaalsContact CE2-NZ 3.29Å; Y132-K183 PolarHBondContact OH-NZ 3.15Å; K183-N185 WeakPolarHBondContact CD-OD1 3.42Å; K183-N185 VanDerWaalsContact CG-OD1 3.23Å; K183-N185 WeakPolarHBondContact CG-OD1 3.45Å; K183-N185 PolarHBondContact O-N 3Å; K183-N185 VanDerWaalsContact O-N 3.12Å; K183-R186 HydrophobicContact CB-CG 4.27Å; K183-R186 WeakPolarHBondContact O-CA 3.41Å; K183-R186 WeakPolarHBondContact O-CB 3.32Å; K183-R186 PolarHBondContact O-N 3.14Å; K183-V187 PolarHBondContact O-N 3.24Å
184G98.4Very high98.2Very high0 Ų059.8 Ų59.80%029%0.286CS..THydrogen-bonded Turntrans-60.7-29.3-167.900000114.6G131 W171 F172 M182 R186 V187G131-G184 PolarHBondContact O-N 2.91Å; W171-G184 VanDerWaalsContact CA-O 3.31Å; W171-G184 WeakPolarHBondContact CA-O 3.46Å; F172-G184 PolarHBondContact N-O 3.16Å; F172-G184 VanDerWaalsContact N-O 3.08Å; F172-G184 VanDerWaalsContact O-CA 3.26Å; F172-G184 WeakPolarHBondContact O-CA 3.49Å; M182-G184 PolarHBondContact O-N 3.44Å; G184-R186 VanDerWaalsContact C-N 3.3Å; G184-R186 PolarHBondContact O-N 2.75Å; G184-V187 PolarHBondContact O-N 3.32Å
185N97.9Very high98.2Very high45 Ų4559.8 Ų59.824%0.24129%0.286CS..THydrogen-bonded Turntrans-71.6-21.1174.970.6-21.6000113.7R169 W171 K183R169-N185 PolarHBondContact NH1-O 3.04Å; R169-N185 PolarHBondContact NH2-O 3.14Å; W171-N185 HydrophobicContact CD2-CB 3.8Å; W171-N185 VanDerWaalsContact CE2-CB 3.47Å; W171-N185 HydrophobicContact CE3-CB 4.49Å; W171-N185 HydrophobicContact CG-CB 4.03Å; W171-N185 HydrophobicContact CZ2-CB 3.89Å; K183-N185 WeakPolarHBondContact CD-OD1 3.42Å; K183-N185 VanDerWaalsContact CG-OD1 3.23Å; K183-N185 WeakPolarHBondContact CG-OD1 3.45Å; K183-N185 PolarHBondContact O-N 3Å; K183-N185 VanDerWaalsContact O-N 3.12Å
186R98Very high98.2Very high185 Ų18559.8 Ų59.870%0.69829%0.286SS*.THydrogen-bonded Turntrans-85.3-19.9175.8-61.7-175175.8-166.5-1.5112.7M182 K183 G184M182-R186 HydrophobicContact CE-CB 4.2Å; K183-R186 HydrophobicContact CB-CG 4.27Å; K183-R186 WeakPolarHBondContact O-CA 3.41Å; K183-R186 WeakPolarHBondContact O-CB 3.32Å; K183-R186 PolarHBondContact O-N 3.14Å; G184-R186 VanDerWaalsContact C-N 3.3Å; G184-R186 PolarHBondContact O-N 2.75Å
187V98.6Very high98.2Very high1 Ų160.8 Ų60.81%0.00629%0.291CS..  trans-80.8128.6177.2-1740000109.6F172 M182 K183 G184 A193 A194F172-V187 HydrophobicContact CB-CB 3.98Å; F172-V187 HydrophobicContact CB-CG1 3.66Å; M182-V187 HydrophobicContact CB-CG2 3.5Å; M182-V187 VanDerWaalsContact CB-CG2 3.5Å; M182-V187 HydrophobicContact CE-CG2 4.38Å; M182-V187 HydrophobicContact CG-CG2 4.4Å; M182-V187 HydrophobicContact SD-CG2 4.17Å; K183-V187 PolarHBondContact O-N 3.24Å; G184-V187 PolarHBondContact O-N 3.32Å; V187-A193 HydrophobicContact CG1-CB 4.41Å; V187-A194 HydrophobicContact CG1-CB 3.52Å
188K98.2Very high98.2Very high108 Ų10855 Ų5547%0.4727%0.269SS..  trans-111.9137.7-179.9-66.8-178.4179.4-178.70110.1T190 K191 A194K188-T190 PolarHBondContact O-N 2.89Å; K188-T190 VanDerWaalsContact O-N 3.08Å; K188-K191 HydrophobicContact CB-CB 4.2Å; K188-K191 HydrophobicContact CB-CG 3.77Å; K188-K191 HydrophobicContact CD-CG 4.36Å; K188-K191 PolarHBondContact O-N 2.99Å; K188-A194 WeakPolarHBondContact O-CB 3.46Å
189K97.8Very high98.1Very high96 Ų9653.1 Ų53.142%0.41726%0.259SS..THydrogen-bonded Turntrans-49.6-35.3177.4172.7168.3178-1760114.4F150 I156 F172 H195F150-K189 HydrophobicContact CD2-CD 4.36Å; F150-K189 HydrophobicContact CD2-CG 3.79Å; F150-K189 HydrophobicContact CE2-CG 4.09Å; I156-K189 HydrophobicContact CD1-CB 4.31Å; I156-K189 HydrophobicContact CD1-CD 3.61Å; I156-K189 HydrophobicContact CD1-CG 3.55Å; F172-K189 HydrophobicContact CE1-CB 4.3Å; F172-K189 HydrophobicContact CE2-CB 3.92Å; F172-K189 HydrophobicContact CZ-CB 3.67Å; F172-K189 HydrophobicContact CZ-CD 4.49Å; F172-K189 HydrophobicContact CZ-CG 4.44Å; K189-H195 PolarHBondContact O-NE2 2.75Å
190T97.4Very high98.1Very high94 Ų9457.1 Ų57.158%0.57728%0.284SS*.THydrogen-bonded Turntrans-88.7-3-176.854.70000113.5F150 K188F150-T190 HydrophobicContact CE2-CG2 4.19Å; F150-T190 HydrophobicContact CZ-CG2 4.34Å; K188-T190 PolarHBondContact O-N 2.89Å; K188-T190 VanDerWaalsContact O-N 3.08Å
191K98.2Very high98Very high116 Ų11656.6 Ų56.650%0.50429%0.285SS..SBendtrans-101.3140.9-176.7-66.6-65.4-175.6-178.70110K188 A193 A194 H195K188-K191 HydrophobicContact CB-CB 4.2Å; K188-K191 HydrophobicContact CB-CG 3.77Å; K188-K191 HydrophobicContact CD-CG 4.36Å; K188-K191 PolarHBondContact O-N 2.99Å; K191-A193 PolarHBondContact O-N 3.22Å; K191-A194 PolarHBondContact O-N 3.08Å; K191-H195 PolarHBondContact O-CD2 3.01Å; K191-H195 PolarHBondContact O-NE2 3.12Å
192P98.3Very high97.9Very high41 Ų4160.3 Ų60.327%0.26630%0.295SS..G310 helixtrans-49.5-31.3179-33.238.5000115.5R78 Q79 A194 H195R78-P192 HydrophobicContact CB-CB 4.37Å; R78-P192 HydrophobicContact CG-CB 4.11Å; Q79-P192 VanDerWaalsContact OE1-CB 3.24Å; P192-A194 PolarHBondContact O-N 2.99Å; P192-A194 VanDerWaalsContact O-N 3.12Å; P192-H195 WeakPolarHBondContact O-CB 3.41Å; P192-H195 PolarHBondContact O-N 3.3Å
193A98.5Very high97.8Very high10 Ų1062.4 Ų62.48%0.08331%0.31CS..G310 helixtrans-51.3-33.2175.400000114.3G174 L175 M182 V187 K191G174-A193 WeakPolarHBondContact CA-O 3.33Å; L175-A193 PolarHBondContact N-O 2.93Å; L175-A193 VanDerWaalsContact O-CA 3.29Å; L175-A193 WeakPolarHBondContact O-CA 3.41Å; L175-A193 WeakPolarHBondContact O-CB 3.45Å; M182-A193 HydrophobicContact SD-CB 3.81Å; V187-A193 HydrophobicContact CG1-CB 4.41Å; K191-A193 PolarHBondContact O-N 3.22Å
194A98.6Very high97.7Very high0 Ų061.1 Ų61.10%031%0.309CS..G310 helixtrans-86.9-9.5-178.300000113.8I156 F172 V187 K188 K191 P192 F196I156-A194 HydrophobicContact CG2-CB 4.4Å; I156-A194 WeakPolarHBondContact CG2-O 3.44Å; F172-A194 HydrophobicContact CB-CB 4.41Å; V187-A194 HydrophobicContact CG1-CB 3.52Å; K188-A194 WeakPolarHBondContact O-CB 3.46Å; K191-A194 PolarHBondContact O-N 3.08Å; P192-A194 PolarHBondContact O-N 2.99Å; P192-A194 VanDerWaalsContact O-N 3.12Å; A194-F196 WeakPolarHBondContact O-CD2 3.37Å
195H98.7Very high97.5Very high0 Ų066 Ų660%033%0.333CS..  trans-95.2115.8-164.9-65.7-169.6000110.2C77 R78 F150 Y154 K189 K191 P192C77-H195 WeakPolarHBondContact CA-O 3.36Å; R78-H195 HydrophobicContact CB-CB 3.77Å; R78-H195 PolarHBondContact N-O 3.01Å; R78-H195 PolarHBondContact NH1-CE1 2.89Å; R78-H195 PolarHBondContact NH1-ND1 2.67Å; F150-H195 AromaticContact CD1-CE1 3.26Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.29Å; F150-H195 AromaticContact CD1-ND1 3.93Å; F150-H195 AromaticContact CD1-NE2 3.39Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.19Å; F150-H195 AromaticContact CE1-CE1 3.22Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.43Å; F150-H195 AromaticContact CE1-NE2 3.49Å; F150-H195 WeakPolarHBondContact CE1-NE2 3.47Å; Y154-H195 HydrophobicContact CD1-CB 3.64Å; Y154-H195 HydrophobicContact CD2-CB 4.15Å; Y154-H195 AromaticContact CD2-CG 3.93Å; Y154-H195 AromaticContact CD2-ND1 3.33Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.33Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.13Å; Y154-H195 HydrophobicContact CE1-CB 4.22Å; Y154-H195 AromaticContact CE2-ND1 3.66Å; Y154-H195 HydrophobicContact CG-CB 3.59Å; Y154-H195 AromaticContact CG-CG 3.82Å; Y154-H195 AromaticContact CG-ND1 3.72Å; K189-H195 PolarHBondContact O-NE2 2.75Å; K191-H195 PolarHBondContact O-CD2 3.01Å; K191-H195 PolarHBondContact O-NE2 3.12Å; P192-H195 WeakPolarHBondContact O-CB 3.41Å; P192-H195 PolarHBondContact O-N 3.3Å
196F98.7Very high97.3Very high0 Ų065.2 Ų65.20%033%0.327CS..EExtended strand (participates in β ladder)trans-115.3147.8175.9-66.2-93.7000111.1L75 Y76 C77 L83 V155 Y157 L173 L175 A194L75-F196 HydrophobicContact CB-CD1 4Å; Y76-F196 CarbonylContact O-C 3.49Å; Y76-F196 WeakPolarHBondContact O-CA 3.36Å; C77-F196 HydrophobicContact CB-CD1 3.92Å; C77-F196 HydrophobicContact CB-CE1 3.67Å; C77-F196 HydrophobicContact CB-CZ 4.3Å; L83-F196 HydrophobicContact CB-CE1 4.48Å; V155-F196 PolarHBondContact N-O 2.89Å; V155-F196 PolarHBondContact O-N 2.75Å; Y157-F196 HydrophobicContact CD2-CD2 4.23Å; Y157-F196 HydrophobicContact CE2-CB 4.15Å; Y157-F196 HydrophobicContact CE2-CG 4.44Å; L173-F196 HydrophobicContact CD2-CE2 4.31Å; L173-F196 HydrophobicContact CD2-CZ 4.26Å; L173-F196 HydrophobicContact CG-CE2 3.95Å; L173-F196 HydrophobicContact CG-CZ 3.91Å; L175-F196 HydrophobicContact CG-CZ 4.48Å; A194-F196 WeakPolarHBondContact O-CD2 3.37Å
197L98Very high97.1Very high53 Ų5364.6 Ų64.628%0.27732%0.324SS..EExtended strand (participates in β ladder)trans-113105.8168.7-17666.1000107.8Y76 K199Y76-L197 PolarHBondContact N-O 2.84Å; Y76-L197 PolarHBondContact O-N 3.42Å; L197-K199 PolarHBondContact O-N 3.04Å
198P97.5Very high96.8Very high31 Ų3169.3 Ų69.320%0.20135%0.346CS..EExtended strand (participates in β ladder)trans-61.8132.2171-21.133.4000110R74 L75 V155 P200R74-P198 CarbonylContact O-C 3.56Å; R74-P198 WeakPolarHBondContact O-CA 3.45Å; L75-P198 HydrophobicContact CD2-CB 4.17Å; L75-P198 HydrophobicContact CD2-CG 4.15Å; V155-P198 HydrophobicContact CB-CG 4.17Å; V155-P198 HydrophobicContact CG2-CG 3.84Å; P198-P200 WeakPolarHBondContact O-CD 3.34Å
199K97.2Very high96.5Very high82 Ų8264.9 Ų64.936%0.35733%0.329SS..EExtended strand (participates in β ladder)trans-114.485.3170.4-60.1-163.9-172.4178.40108.2T73 R74 Y82 L197 L201T73-K199 PolarHBondContact OG1-N 3.32Å; T73-K199 PolarHBondContact OG1-O 3.49Å; T73-K199 VanDerWaalsContact OG1-O 3.12Å; R74-K199 HydrophobicContact CB-CB 4.38Å; R74-K199 PolarHBondContact N-O 2.79Å; R74-K199 PolarHBondContact O-N 3.47Å; Y82-K199 HydrophobicContact CE1-CD 3.96Å; Y82-K199 PolarHBondContact OH-NZ 2.81Å; L197-K199 PolarHBondContact O-N 3.04Å; K199-L201 PolarHBondContact O-N 2.66Å
200P96.7Very high96.2Very high86 Ų8664.2 Ų64.256%0.55834%0.336SS*.EExtended strand (participates in β ladder)trans-60.3137.4-178.9-21.132.9000110.7I71 P198I71-P200 HydrophobicContact CD1-CB 4.17Å; I71-P200 HydrophobicContact CD1-CG 4.03Å; P198-P200 WeakPolarHBondContact O-CD 3.34Å
201L96Very high96.1Very high105 Ų10564.3 Ų64.355%0.5533%0.333SS..EExtended strand (participates in β ladder)trans-97.9-56.5173.1-173.167.5000109.6V72 L103 K199V72-L201 HydrophobicContact CG1-CD2 4.44Å; V72-L201 PolarHBondContact O-N 3.38Å; L103-L201 HydrophobicContact CD2-CD2 4.17Å; K199-L201 PolarHBondContact O-N 2.66Å
202E96.4Very high95.8Very high118 Ų11861.5 Ų61.555%0.55132%0.321SS*.EExtended strand (participates in β ladder)trans-148.6164.6-179.862177.5-169.700112I71 V72I71-E202 CarbonylContact C-O 3.49Å; I71-E202 WeakPolarHBondContact CA-O 3.36Å; V72-E202 HydrophobicContact CB-CG 3.9Å; V72-E202 HydrophobicContact CG2-CG 3.96Å; V72-E202 PolarHBondContact N-O 2.89Å; V72-E202 PolarHBondContact O-N 3.28Å
203V96.8Very high95.2Very high90 Ų9065 Ų6555%0.54534%0.338SS..EExtended strand (participates in β ladder)trans-94.6134.1173.1174.50000108.2K69 I71K69-V203 HydrophobicContact CD-CG1 4.25Å; K69-V203 HydrophobicContact CG-CG1 3.79Å; I71-V203 HydrophobicContact CG2-CG2 4.21Å
204A95.2Very high94.2Very high23 Ų2368.3 Ų68.319%0.1936%0.357CS..EExtended strand (participates in β ladder)trans-133.8149.4-179.900000111.5G70 V72 Y206G70-A204 PolarHBondContact N-O 3.01Å; G70-A204 PolarHBondContact O-N 2.79Å; G70-A204 VanDerWaalsContact O-N 3.1Å; V72-A204 HydrophobicContact CG2-CB 4.31Å; A204-Y206 HydrophobicContact CB-CE1 4.39Å; A204-Y206 HydrophobicContact CB-CE2 3.76Å; A204-Y206 WeakPolarHBondContact O-CD2 3.22Å; A204-Y206 WeakPolarHBondContact O-CE2 3.26Å
205M95Very high92.8Very high101 Ų10171.2 Ų71.250%0.49839%0.387SS..EExtended strand (participates in β ladder)trans-94126.3174.1-60.7-57.2-62.300109Q67 L68 K69Q67-M205 HydrophobicContact CB-CE 3.43Å; Q67-M205 VanDerWaalsContact CB-CE 3.43Å; L68-M205 WeakPolarHBondContact O-CA 3.49Å; K69-M205 HydrophobicContact CB-CE 4.28Å; K69-M205 HydrophobicContact CB-SD 3.89Å; K69-M205 HydrophobicContact CG-SD 3.98Å
206Y94.2Very high90.8Very high29 Ų2977.3 Ų77.311%0.11442%0.415CS..EExtended strand (participates in β ladder)trans-115.1143.4-179.9-59.5-82.9000109.7Q67 L68 I71 V72 N105 I107 A204Q67-Y206 CarbonylContact C-O 3.54Å; Q67-Y206 WeakPolarHBondContact CA-O 3.39Å; L68-Y206 PolarHBondContact N-O 2.81Å; L68-Y206 PolarHBondContact O-N 3.42Å; I71-Y206 PolarHBondContact O-OH 2.78Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.33Å; N105-Y206 HydrophobicContact CB-CE1 3.69Å; N105-Y206 WeakPolarHBondContact CB-OH 3.39Å; N105-Y206 VanDerWaalsContact CG-CE1 3.48Å; N105-Y206 PolarHBondContact OD1-OH 3.02Å; I107-Y206 HydrophobicContact CD1-CD1 3.94Å; I107-Y206 HydrophobicContact CD1-CE1 4.4Å; I107-Y206 HydrophobicContact CD1-CG 4.09Å; I107-Y206 HydrophobicContact CG1-CD1 4.04Å; I107-Y206 HydrophobicContact CG1-CD2 3.99Å; I107-Y206 HydrophobicContact CG1-CE1 4.3Å; I107-Y206 HydrophobicContact CG1-CE2 4.25Å; I107-Y206 HydrophobicContact CG1-CG 3.87Å; I107-Y206 HydrophobicContact CG2-CD2 4.43Å; I107-Y206 HydrophobicContact CG2-CG 4.32Å; A204-Y206 HydrophobicContact CB-CE1 4.39Å; A204-Y206 HydrophobicContact CB-CE2 3.76Å; A204-Y206 WeakPolarHBondContact O-CD2 3.22Å; A204-Y206 WeakPolarHBondContact O-CE2 3.26Å
207R93.3Very high88.4Confident172 Ų17281.6 Ų81.665%0.64944%0.441SS*.EExtended strand (participates in β ladder)trans-67143.3163-171.5177.2-175.8-176.23.4108.8D65 P209D65-R207 IonicContact OD1-NH2 4Å; R207-P209 VanDerWaalsContact O-CD 3.31Å; R207-P209 WeakPolarHBondContact O-CD 3.27Å
208E91.2Very high85.7Confident100 Ų10084.5 Ų84.547%0.46746%0.461SS..PPolyproline II helixtrans-57.3121.6171.4-174.4164.6-166.500110.8P66 L68P66-E208 PolarHBondContact O-N 3.04Å; L68-E208 HydrophobicContact CD1-CB 4Å; L68-E208 HydrophobicContact CD1-CG 4.12Å; L68-E208 HydrophobicContact CG-CB 4.3Å
209P92.6Very high83.1Confident16 Ų1688.8 Ų88.810%0.10449%0.489CS..PPolyproline II helixtrans-62.7138.8179.2-23.834.8000111.5I107 V109 F139 R207 L211I107-P209 HydrophobicContact CG2-CG 4.47Å; V109-P209 HydrophobicContact CG1-CG 4.49Å; F139-P209 HydrophobicContact CB-CB 3.73Å; F139-P209 HydrophobicContact CD1-CB 3.55Å; F139-P209 HydrophobicContact CD1-CG 4.5Å; F139-P209 HydrophobicContact CD2-CB 4.24Å; F139-P209 HydrophobicContact CE1-CB 4.16Å; F139-P209 HydrophobicContact CG-CB 3.57Å; F139-P209 HydrophobicContact CG-CG 4.46Å; R207-P209 VanDerWaalsContact O-CD 3.31Å; R207-P209 WeakPolarHBondContact O-CD 3.27Å; P209-L211 PolarHBondContact O-N 3.03Å
210S92.2Very high80.3Confident81 Ų8193.8 Ų93.857%0.56651%0.511SS*.PPolyproline II helixtrans-73.2121177.4-600000110H212S210-H212 PolarHBondContact O-CE1 3.32Å; S210-H212 PolarHBondContact O-ND1 3.48Å
211L93.7Very high77.7Confident96 Ų9695.6 Ų95.650%0.50352%0.522SS..BIsolated β-bridgetrans-77.4121.8-178.5-172.167.1000110.4F139 P141 P209F139-L211 HydrophobicContact CD1-CB 4.43Å; F139-L211 HydrophobicContact CD1-CD1 3.91Å; F139-L211 HydrophobicContact CE1-CD1 3.81Å; F139-L211 WeakPolarHBondContact O-CA 3.48Å; P141-L211 HydrophobicContact CG-CD1 4.08Å; P209-L211 PolarHBondContact O-N 3.03Å
212H93.4Very high74.9Confident57 Ų5794.1 Ų94.126%0.26453%0.533SS..  trans-109.2155176-61.573.4000110.5L138 F139 T140 P141 S210L138-H212 HydrophobicContact CB-CB 4.24Å; L138-H212 HydrophobicContact CD1-CB 4.19Å; F139-H212 PolarHBondContact O-N 2.94Å; T140-H212 HydrophobicContact CG2-CB 4.47Å; P141-H212 WeakPolarHBondContact CD-O 3.41Å; S210-H212 PolarHBondContact O-CE1 3.32Å; S210-H212 PolarHBondContact O-ND1 3.48Å
213D85.8Confident72.5Confident116 Ų11695 Ų9562%0.6255%0.546SS*.  trans-74.4150.8176.4-75.9-39000111.7G215D213-G215 PolarHBondContact O-N 3.38Å
214V76.9Confident70Confident78 Ų7896.3 Ų96.347%0.47355%0.554SS.*THydrogen-bonded Turntrans-72.598.5176.5-174.50000107.8P141 E142P141-V214 HydrophobicContact CB-CG2 4.49Å; P141-V214 HydrophobicContact CG-CG2 4.41Å; E142-V214 HydrophobicContact CG-CG1 4.36Å; E142-V214 HydrophobicContact CG-CG2 3.95Å
215G68.6Low67.6Low61 Ų61101.4 Ų101.463%0.62959%0.585SS**THydrogen-bonded Turntrans138.9-7178.200000116.1D213 T217D213-G215 PolarHBondContact O-N 3.38Å; G215-T217 PolarHBondContact O-N 3.32Å
216E56.3Low65.1Low128 Ų128102 Ų10260%0.59860%0.599SS**  trans-78.86.3179.3-75.1-172.7142.400114.7V218E216-V218 PolarHBondContact O-N 3.11Å
217T49.1Very low62.5Low90 Ų90110.4 Ų110.455%0.55264%0.637SS**  trans-96.924.7-173.851.90000115.6L138 G215L138-T217 HydrophobicContact CD1-CG2 3.59Å; L138-T217 HydrophobicContact CG-CG2 4.09Å; G215-T217 PolarHBondContact O-N 3.32Å
218V42.3Very low60.3Low114 Ų114108.2 Ų108.269%0.69165%0.647SS**  trans-102.1109.8161.2-174.50000107.9E216 K220E216-V218 PolarHBondContact O-N 3.11Å; V218-K220 PolarHBondContact O-N 2.95Å
219P42.4Very low58.1Low121 Ų121109.8 Ų109.879%0.78666%0.664SS**  trans-61.7104.6163.6-6.820.8000106.7
220K39.1Very low55.8Low188 Ų188114.7 Ų114.782%0.81770%0.699SS**PPolyproline II helixtrans-61.2125.7162.9-84-178.9176.3173.30106.5V218 G222V218-K220 PolarHBondContact O-N 2.95Å; K220-G222 PolarHBondContact O-N 3.24Å
221P40.6Very low53.5Low123 Ų123115.3 Ų115.380%0.79971%0.709SS**PPolyproline II helixtrans-58.5128.7171.224.3-30.1000107.9V223P221-V223 PolarHBondContact O-N 3.41Å
222G38.3Very low51.2Low75 Ų75116.6 Ų116.677%0.77373%0.726SS**PPolyproline II helixtrans-46119.4-168.900000113.7K220 T224K220-G222 PolarHBondContact O-N 3.24Å; G222-T224 PolarHBondContact O-N 2.97Å
223V45.7Very low48.9Very low137 Ų137118.2 Ų118.283%0.8375%0.749SS**PPolyproline II helixtrans-64.4124.7151.3174.70000106.8P221P221-V223 PolarHBondContact O-N 3.41Å
224T43.3Very low47.3Very low116 Ų116121 Ų12171%0.71276%0.762SS**PPolyproline II helixtrans-48.8133.1175.547.50000112.4G222 S226G222-T224 PolarHBondContact O-N 2.97Å; T224-S226 PolarHBondContact O-N 3.02Å
225P45.7Very low46.3Very low131 Ų131124.9 Ų124.985%0.85178%0.777SS**  trans-79.1108.517025-19.4000109.6
226S42.1Very low45.5Very low113 Ų113129.5 Ų129.579%0.7979%0.788SS**  trans-68.4123.2167.746.10000111.1T224T224-S226 PolarHBondContact O-N 3.02Å
227K40.5Very low45Very low206 Ų206127.2 Ų127.290%0.89680%0.798SS**  trans-3.7124.2161.7-74172.2172.8174.20117.4
228S46.3Very low44.8Very low125 Ų125127 Ų12787%0.87481%0.814SS**  trans-120.2134.5148.554.70000110.6
229T44.5Very low45.4Very low134 Ų134131.4 Ų131.482%0.82282%0.824SS**  trans-87.7146-174-50.90000110.7
230S46.1Very low45.7Very low118 Ų118131.3 Ų131.383%0.82582%0.823SS**  trans138.8137.515859.30000109.1
231A43.6Very low46.7Very low95 Ų95129 Ų12979%0.78582%0.824SS**  cis-155154.61.800000109.4
232S44.2Very low47.3Very low123 Ų123129.2 Ų129.286%0.8682%0.819SS**  trans-26.7138.5169.1-33.70000119.5
233A45.9Very low47.8Very low91 Ų91134.6 Ų134.675%0.75282%0.821SS**  trans-163.1104.1141.200000113.8
234I51.8Low48Very low173 Ų173133.9 Ų133.989%0.88782%0.822SS**  trans70.6138.9131.3-53171.1000120.5
235M55.3Low48.2Very low160 Ų160138 Ų13879%0.78883%0.83SS**  trans-91.3-178.9-162.2-60.9-171.6-72.100116.1
236N53.2Low48.8Very low159 Ų159138.1 Ų138.185%0.8583%0.828SS**  trans90.9129.7162.8-55.5-28.4000114.6
237G44.5Very low49.7Very low80 Ų80142.7 Ų142.783%0.82585%0.852SS**  cis159152.66.300000107.4
238G45.7Very low50.1Low85 Ų85139.5 Ų139.588%0.87685%0.85SS**  trans127.5115163.500000116.7
239K54.7Low50.3Low206 Ų206140.3 Ų140.390%0.89685%0.848SS**  trans-79.1162.6174.4-101.1174.5173.1175.60112.6
240P47.9Very low50.6Low120 Ų120140.6 Ų140.678%0.77985%0.85SS**  trans-89.8154.3-175.836.9-33.6000113.7
241V61.1Low50.9Low138 Ų138141.9 Ų141.984%0.83685%0.851SS**  trans-137.5124.9171.7148.10000111.5
242N51.9Low51.4Low129 Ų129144.9 Ų144.969%0.6986%0.855SS**  trans29.1130.8148.8-79.1-27.4000124.9
243K50.2Low51.8Low188 Ų188146.3 Ų146.382%0.81786%0.855SS**  35.7125.4122-65.8175.7176.1171.60118.7
244S50Low52.3Low122 Ų122150.3 Ų150.385%0.85386%0.862SS**  -175.7137.5108.239.60000112.9
245K46.9Very low52.3Low203 Ų203148.5 Ų148.588%0.88386%0.86SS**  trans-60.2155.3167.7-70.9168.6164.3178.20111.3
246T58.5Low52Low132 Ų132147.6 Ų147.681%0.8187%0.866SS**  trans-164.4121.7135.3-72.10000108.6
247T59.9Low51.9Low209 Ų209146.5 Ų146.5100%1.28287%0.868SS**  trans46.30165.4-0.80000120.9

Retrieved 247 of 247 residues in 574.5 ms (Link to these results)