A0A087Y729_POEFO Loading...

Small ribosomal subunit protein uS9m

AlphaFold DB , UniProt , Accession A0A087Y729, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 380 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
1M40.8Very low32.6Very low247 Ų247142.5 Ų142.5100%1.21787%0.865SS**  0140.20-81.6-172.417700108.4
2A37.7Very low32.5Very low111 Ų111144.4 Ų144.492%0.91787%0.865SS**  trans76.194.6-171.200000115.2
3A33.7Very low32.7Very low103 Ų103149.2 Ų149.285%0.85187%0.868SS**  trans-101.3136.2166.600000109.8
4N31.3Very low32.4Very low171 Ų171144 Ų14491%0.91486%0.863SS**  trans-67.2134.1175.4-81.3-27.1000111.3
5C29Very low32.6Very low126 Ų126147.6 Ų147.685%0.85186%0.863SS**  trans-102.3101.1173.7-146.50000108.6
6A32.5Very low32.4Very low93 Ų93145.3 Ų145.377%0.76986%0.857SS**  trans-90.2124.716800000108.7
7R30.9Very low32.3Very low231 Ų231144.9 Ų144.987%0.87286%0.856SS**  trans-105.4108.4167.7-81.8-173.5-178.1167.31109.3
8V30.4Very low32.3Very low130 Ų130144.6 Ų144.679%0.78885%0.85SS**  trans-82.2128.2162175.10000107.1
9V32.7Very low32.1Very low134 Ų134147.7 Ų147.781%0.81285%0.852SS**  trans-107.8104170.5177.60000107.4
10C27.3Very low32Very low111 Ų111145.3 Ų145.375%0.7585%0.85SS**  trans-74.3126.3166.2-94.60000109.5
11S32.6Very low32.3Very low110 Ų110144.1 Ų144.177%0.76985%0.85SS**  trans-86.5122.8163.145.50000109.2
12L31.5Very low31.9Very low166 Ų166137.2 Ų137.287%0.86983%0.826SS**  trans-127110.3166.6-83.8166.4000109
13F34.3Very low32.1Very low206 Ų206138.8 Ų138.890%0.90483%0.825SS**  trans-68.8134.5161.7-97.5-96.1000109.1
14G29.5Very low32Very low77 Ų77144.7 Ų144.779%0.79483%0.825SS**  trans-142.911817100000110.8
15K34.1Very low32.3Very low198 Ų198141.8 Ų141.886%0.86182%0.816SS**  trans-92.3150172.9-74.3179.2174.8178.20110.7
16S29.4Very low32.7Very low110 Ų110142.2 Ų142.277%0.76981%0.814SS**  trans92.9143.6139.176.60000123
17V30.8Very low33.1Very low139 Ų139143.5 Ų143.584%0.84281%0.813SS**  trans110.8137.7147.5-164.10000118.7
18N32.3Very low33.8Very low139 Ų139139.9 Ų139.974%0.74381%0.81SS**  trans-86.6170.9-163.6-69.9-34.1000117.1
19F29.7Very low34.5Very low204 Ų204141.7 Ų141.790%0.89581%0.809SS**  trans79.3114.9152.4-82.6-77.2000120.4
20A30Very low34.9Very low99 Ų99145 Ų14582%0.81881%0.813SS**  175.7142.8113.200000112
21S38.8Very low35.6Very low122 Ų122144.9 Ų144.985%0.85381%0.813SS**  trans-75.7135.4177.649.20000113.5
22S32.1Very low36.3Very low102 Ų102150.5 Ų150.571%0.71382%0.817SS**  trans-160.8111.1158.71610000110.2
23T42.2Very low37.1Very low144 Ų144150.7 Ų150.788%0.88381%0.813SS**  trans-66.5121.1172.533.20000111.6
24R31.6Very low38.1Very low226 Ų226148.5 Ų148.585%0.85381%0.81SS**  trans-145.8151.4164.3-77.9-162.4-179.7177.40.4110.4
25P37.3Very low39.4Very low111 Ų111149.9 Ų149.972%0.72181%0.805SS**  trans-77.9144.1-148.131-33.7000112.7T27P25-T27 PolarHBondContact O-N 2.97Å
26V37.5Very low40.7Very low134 Ų134143.5 Ų143.581%0.81280%0.796SS**  trans-63.1103176.4178.20000108.8L28V26-L28 HydrophobicContact CG1-CG 4.19Å
27T39.9Very low42.5Very low121 Ų121144.2 Ų144.274%0.74280%0.796SS**  trans-96.8110.1160.7-28.80000105.4P25 Q29P25-T27 PolarHBondContact O-N 2.97Å; T27-Q29 PolarHBondContact O-N 3.25Å
28L45.8Very low44.1Very low155 Ų155143.6 Ų143.681%0.81280%0.795SS**  trans-68.280.6176.3-84.9160000109.5V26 F30V26-L28 HydrophobicContact CG1-CG 4.19Å; L28-F30 PolarHBondContact O-N 3.16Å
29Q44.9Very low46Very low167 Ų167140.9 Ų140.978%0.7879%0.792SS**  trans-73.4116.8156.4-91.4-176.4-28.600107.3T27 C31T27-Q29 PolarHBondContact O-N 3.25Å; Q29-C31 PolarHBondContact O-N 3.23Å
30F41.3Very low48.1Very low204 Ų204139.7 Ų139.790%0.89579%0.794SS**  trans-60.189164.7-93.5-86.9000108.9L28 R32L28-F30 PolarHBondContact O-N 3.16Å; F30-R32 VanDerWaalsContact C-N 3.31Å; F30-R32 PolarHBondContact O-N 3.26Å
31C42Very low50.2Low109 Ų109146 Ų14674%0.73680%0.797SS**  trans-66.897.6158.3-83.60000106.5Q29 Q33Q29-C31 PolarHBondContact O-N 3.23Å; C31-Q33 VanDerWaalsContact C-N 3.25Å; C31-Q33 PolarHBondContact O-N 3.3Å
32R47.7Very low52Low227 Ų227151.6 Ų151.686%0.85780%0.799SS**  trans-61.696.3161.4-79.3-172.9175-174.5-0.8106.9F30 I34F30-R32 VanDerWaalsContact C-N 3.31Å; F30-R32 PolarHBondContact O-N 3.26Å; R32-I34 VanDerWaalsContact C-N 3.35Å; R32-I34 PolarHBondContact O-N 2.9Å
33Q47.6Very low54.4Low171 Ų171156.2 Ų156.280%0.79981%0.806SS**  trans-60.6103.5161.7-83.2-176.5-20.900106.5C31 C35C31-Q33 VanDerWaalsContact C-N 3.25Å; C31-Q33 PolarHBondContact O-N 3.3Å; Q33-C35 PolarHBondContact O-N 3Å
34I56.6Low56.4Low160 Ų160156.9 Ų156.982%0.82180%0.804SS**  trans-69.694.5164.2-58.4174.5000104.7R32 G36R32-I34 VanDerWaalsContact C-N 3.35Å; R32-I34 PolarHBondContact O-N 2.9Å; I34-G36 PolarHBondContact O-N 3.28Å
35C55.4Low58.8Low105 Ų105154.3 Ų154.371%0.70981%0.807SS**  trans-63.188.8167.7-73.10000108Q33 T37Q33-C35 PolarHBondContact O-N 3Å; C35-T37 PolarHBondContact O-N 3.36Å; C35-T37 VanDerWaalsContact O-N 3.09Å
36G62.3Low60.7Low65 Ų65152 Ų15267%0.6780%0.803SS**  trans-72.195.6166.100000108.2I34 P38I34-G36 PolarHBondContact O-N 3.28Å; G36-P38 VanDerWaalsContact O-CD 3.27Å; G36-P38 WeakPolarHBondContact O-CD 3.39Å
37T66.2Low62.6Low124 Ų124151.2 Ų151.276%0.76180%0.801SS**  trans-65.1118.316923.60000108.6C35 A39C35-T37 PolarHBondContact O-N 3.36Å; C35-T37 VanDerWaalsContact O-N 3.09Å; T37-A39 VanDerWaalsContact C-N 3.3Å; T37-A39 PolarHBondContact O-N 3.49Å
38P64.6Low64.5Low126 Ų126152.4 Ų152.482%0.81881%0.808SS**  trans-70.593.1169.529-31.2000107.8G36 L40G36-P38 VanDerWaalsContact O-CD 3.27Å; G36-P38 WeakPolarHBondContact O-CD 3.39Å; P38-L40 PolarHBondContact O-N 2.91Å
39A71.9Confident66Low83 Ų83150.7 Ų150.769%0.68680%0.804SS**  trans-67.7121.4171.600000108.8T37 R41T37-A39 VanDerWaalsContact C-N 3.3Å; T37-A39 PolarHBondContact O-N 3.49Å; A39-R41 PolarHBondContact O-N 3.49Å
40L73.7Confident67.6Low178 Ų178147.8 Ų147.893%0.93280%0.8SS**  trans-57.5106.6170.5-78165.7000108.5P38P38-L40 PolarHBondContact O-N 2.91Å
41R74Confident69.6Low233 Ų233145.6 Ų145.688%0.87979%0.792SS**PPolyproline II helixtrans-71.3135172.3-67.1-169-179.5-158.10.8108.5A39 K43A39-R41 PolarHBondContact O-N 3.49Å; R41-K43 PolarHBondContact O-N 2.99Å
42R76.8Confident71.6Confident238 Ų238145.8 Ų145.890%0.89879%0.79SS**PPolyproline II helixtrans-54.3130.4170.1-83.5-175.4178.3175.3-0.2108.4N44R42-N44 PolarHBondContact O-N 3.43Å
43K83.3Confident73.7Confident199 Ų199137 Ų13787%0.86576%0.758SS**PPolyproline II helixtrans-58.4130.5170.6-67.3-178.9-179.9178.70107.2R41 L45R41-K43 PolarHBondContact O-N 2.99Å; K43-L45 PolarHBondContact O-N 3.18Å
44N83.2Confident75.8Confident158 Ų158132.8 Ų132.885%0.84574%0.744SS**PPolyproline II helixtrans-57.4136.8172.8-65.3-18.5000108R42R42-N44 PolarHBondContact O-N 3.43Å
45L82.9Confident77.5Confident172 Ų172128.7 Ų128.790%0.90173%0.734SS**PPolyproline II helixtrans-58.4144.6167.7-67.5171.1000108.2K43K43-L45 PolarHBondContact O-N 3.18Å
46G76.6Confident79.4Confident63 Ų63130 Ų13065%0.64973%0.73SS**PPolyproline II helixtrans-55.4154-177.200000111.9
47P78.9Confident80.9Confident118 Ų118130.2 Ų130.277%0.76671%0.713SS**PPolyproline II helixtrans-59.6162175.828-34.6000111.1V49P47-V49 PolarHBondContact O-N 3.43Å
48T79.4Confident82.3Confident145 Ų145126.4 Ų126.489%0.8969%0.687SS**PPolyproline II helixtrans-54.3121.5172.948.70000110.4
49V75.6Confident83.8Confident120 Ų120126.1 Ų126.173%0.72768%0.675SS**PPolyproline II helixtrans-77.5148.1179.5-176.60000109.1P47P47-V49 PolarHBondContact O-N 3.43Å
50P79.8Confident85Confident106 Ų106127.9 Ų127.969%0.68867%0.667SS**PPolyproline II helixtrans-54.6141.4171.2-2434.3000111.5T52P50-T52 PolarHBondContact O-N 2.99Å
51E82.5Confident86.1Confident158 Ų158121.9 Ų121.974%0.73863%0.634SS**PPolyproline II helixtrans-62.4124.3175.9-66-179.3-179.600109.9F53E51-F53 HydrophobicContact CB-CE1 4.35Å; E51-F53 HydrophobicContact CB-CZ 4.02Å
52T85.5Confident87.2Confident112 Ų112112.2 Ų112.269%0.68760%0.601SS**  trans-110.8135.3177.847.40000108.6P50P50-T52 PolarHBondContact O-N 2.99Å
53F90.9Very high88.2Confident42 Ų42106.4 Ų106.418%0.18458%0.584CS.*  trans-111.2110.6-175-57.1-63.2000108.3E51 F57 I58 F116 Q119E51-F53 HydrophobicContact CB-CE1 4.35Å; E51-F53 HydrophobicContact CB-CZ 4.02Å; F53-F57 HydrophobicContact CB-CD1 4.07Å; F53-F57 AromaticContact CD1-CD1 3.72Å; F53-F57 HydrophobicContact CD1-CD1 3.72Å; F53-F57 AromaticContact CD1-CE1 3.48Å; F53-F57 HydrophobicContact CD1-CE1 3.48Å; F53-F57 VanDerWaalsContact CD1-CE1 3.48Å; F53-F57 HydrophobicContact CD1-CZ 4.28Å; F53-F57 HydrophobicContact CE1-CE1 4.06Å; F53-F57 HydrophobicContact CG-CD1 4.29Å; F53-F57 HydrophobicContact CG-CE1 4.32Å; F53-I58 HydrophobicContact CB-CD1 4.05Å; F53-I58 HydrophobicContact CB-CG1 4.37Å; F53-F116 HydrophobicContact CD1-CD1 4.09Å; F53-F116 HydrophobicContact CD1-CE1 4.13Å; F53-F116 HydrophobicContact CD2-CB 4.44Å; F53-F116 AromaticContact CD2-CD1 3.9Å; F53-F116 HydrophobicContact CD2-CD1 3.9Å; F53-F116 HydrophobicContact CD2-CG 4.5Å; F53-F116 AromaticContact CE1-CD1 3.86Å; F53-F116 HydrophobicContact CE1-CD1 3.86Å; F53-F116 AromaticContact CE1-CE1 3.73Å; F53-F116 HydrophobicContact CE1-CE1 3.73Å; F53-F116 AromaticContact CE2-CD1 3.7Å; F53-F116 HydrophobicContact CE2-CD1 3.7Å; F53-F116 HydrophobicContact CE2-CE1 4.37Å; F53-F116 HydrophobicContact CG-CD1 4.12Å; F53-F116 AromaticContact CZ-CD1 3.68Å; F53-F116 HydrophobicContact CZ-CD1 3.68Å; F53-F116 AromaticContact CZ-CE1 3.89Å; F53-F116 HydrophobicContact CZ-CE1 3.89Å; F53-Q119 VanDerWaalsContact CD2-NE2 3.26Å; F53-Q119 PolarHBondContact O-OE1 3.21Å
54T91.9Very high88.9Confident83 Ų83102.2 Ų102.251%0.50957%0.567SS.*  trans-71.2156176.3570000110.5E56 F57 I58T54-E56 PolarHBondContact O-N 3.31Å; T54-F57 WeakPolarHBondContact O-CB 3.37Å; T54-F57 PolarHBondContact O-N 3.02Å; T54-F57 WeakPolarHBondContact OG1-CB 3.3Å; T54-F57 PolarHBondContact OG1-N 3.33Å; T54-I58 PolarHBondContact O-N 2.75Å; T54-I58 VanDerWaalsContact O-N 3.09Å
55A92.2Very high89.6Confident74 Ų7495.9 Ų95.961%0.61253%0.532SS*.Hα-helixtrans-57.8-39.417600000111.8F57 I58 Q59A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 3.19Å; A55-I58 PolarHBondContact O-N 3.17Å; A55-Q59 WeakPolarHBondContact O-CG 3.36Å; A55-Q59 PolarHBondContact O-N 3.5Å
56E94.2Very high90.2Very high133 Ų13392.7 Ų92.762%0.62151%0.513SS*.Hα-helixtrans-62.2-38.1175.1-62.5178.7-177.800112.5T54 Q59 K60T54-E56 PolarHBondContact O-N 3.31Å; E56-Q59 PolarHBondContact O-N 2.91Å; E56-K60 WeakPolarHBondContact O-CG 3.3Å; E56-K60 PolarHBondContact O-N 3.21Å
57F94.5Very high91.2Very high70 Ų7094 Ų9431%0.30750%0.504SS..Hα-helixtrans-63.7-46175.1173-94.7000110.9F53 T54 A55 Q59 K60 Q61 F116F53-F57 HydrophobicContact CB-CD1 4.07Å; F53-F57 AromaticContact CD1-CD1 3.72Å; F53-F57 HydrophobicContact CD1-CD1 3.72Å; F53-F57 AromaticContact CD1-CE1 3.48Å; F53-F57 HydrophobicContact CD1-CE1 3.48Å; F53-F57 VanDerWaalsContact CD1-CE1 3.48Å; F53-F57 HydrophobicContact CD1-CZ 4.28Å; F53-F57 HydrophobicContact CE1-CE1 4.06Å; F53-F57 HydrophobicContact CG-CD1 4.29Å; F53-F57 HydrophobicContact CG-CE1 4.32Å; T54-F57 WeakPolarHBondContact O-CB 3.37Å; T54-F57 PolarHBondContact O-N 3.02Å; T54-F57 WeakPolarHBondContact OG1-CB 3.3Å; T54-F57 PolarHBondContact OG1-N 3.33Å; A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 3.19Å; F57-Q59 VanDerWaalsContact C-N 3.32Å; F57-Q59 PolarHBondContact O-N 2.96Å; F57-K60 PolarHBondContact O-N 2.97Å; F57-Q61 HydrophobicContact CD1-CG 4.2Å; F57-Q61 HydrophobicContact CE1-CG 3.74Å; F57-Q61 HydrophobicContact CE2-CG 4.17Å; F57-Q61 HydrophobicContact CZ-CG 3.72Å; F57-Q61 WeakPolarHBondContact O-CG 3.39Å; F57-Q61 PolarHBondContact O-N 3.35Å; F57-F116 AromaticContact CE1-CE1 3.94Å; F57-F116 HydrophobicContact CE1-CE1 3.94Å; F57-F116 HydrophobicContact CE1-CE2 4.21Å; F57-F116 AromaticContact CE1-CZ 3.72Å; F57-F116 HydrophobicContact CE1-CZ 3.72Å; F57-F116 HydrophobicContact CZ-CE1 4.46Å; F57-F116 HydrophobicContact CZ-CZ 4.12Å
58I94.8Very high92.1Very high43 Ų4389.5 Ų89.522%0.22148%0.479CS..Hα-helixtrans-61.9-41177.7-61.5-62.7000111.1F53 T54 A55 Q61 V62 F116F53-I58 HydrophobicContact CB-CD1 4.05Å; F53-I58 HydrophobicContact CB-CG1 4.37Å; T54-I58 PolarHBondContact O-N 2.75Å; T54-I58 VanDerWaalsContact O-N 3.09Å; A55-I58 PolarHBondContact O-N 3.17Å; I58-Q61 PolarHBondContact O-N 2.92Å; I58-V62 WeakPolarHBondContact O-CG2 3.4Å; I58-V62 PolarHBondContact O-N 3.48Å; I58-F116 HydrophobicContact CD1-CB 3.97Å; I58-F116 HydrophobicContact CD1-CD2 3.65Å; I58-F116 HydrophobicContact CD1-CE2 4.34Å; I58-F116 HydrophobicContact CD1-CG 3.84Å
59Q96.2Very high93Very high121 Ų12185.3 Ų85.357%0.56545%0.448SS*.Hα-helixtrans-59.6-46.9175.8-74.1172.1-6.600112A55 E56 F57 Q61 V62 E63A55-Q59 WeakPolarHBondContact O-CG 3.36Å; A55-Q59 PolarHBondContact O-N 3.5Å; E56-Q59 PolarHBondContact O-N 2.91Å; F57-Q59 VanDerWaalsContact C-N 3.32Å; F57-Q59 PolarHBondContact O-N 2.96Å; Q59-Q61 VanDerWaalsContact C-N 3.31Å; Q59-Q61 PolarHBondContact O-N 3.44Å; Q59-V62 WeakPolarHBondContact O-CB 3.4Å; Q59-V62 PolarHBondContact O-N 3.39Å; Q59-V62 VanDerWaalsContact O-N 3.08Å; Q59-E63 PolarHBondContact O-N 3.45Å
60K97.3Very high94Very high120 Ų12086.3 Ų86.352%0.52244%0.439SS..Hα-helixtrans-59.4-41.8175.4-71.1174.4-178.5179.40112.3E56 F57 V62 E63 E64E56-K60 WeakPolarHBondContact O-CG 3.3Å; E56-K60 PolarHBondContact O-N 3.21Å; F57-K60 PolarHBondContact O-N 2.97Å; K60-V62 VanDerWaalsContact C-N 3.28Å; K60-V62 PolarHBondContact O-N 3.15Å; K60-E63 PolarHBondContact O-N 3.43Å; K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 2.98Å
61Q97.3Very high94.9Very high51 Ų5186.5 Ų86.524%0.23843%0.431CS..Hα-helixtrans-64.9-31.8176.6-68.3-61-66.200112.6F57 I58 Q59 E64 F65 P112 F116F57-Q61 HydrophobicContact CD1-CG 4.2Å; F57-Q61 HydrophobicContact CE1-CG 3.74Å; F57-Q61 HydrophobicContact CE2-CG 4.17Å; F57-Q61 HydrophobicContact CZ-CG 3.72Å; F57-Q61 WeakPolarHBondContact O-CG 3.39Å; F57-Q61 PolarHBondContact O-N 3.35Å; I58-Q61 PolarHBondContact O-N 2.92Å; Q59-Q61 VanDerWaalsContact C-N 3.31Å; Q59-Q61 PolarHBondContact O-N 3.44Å; Q61-E64 PolarHBondContact NE2-OE2 3.08Å; Q61-F65 VanDerWaalsContact O-CB 3.29Å; Q61-F65 WeakPolarHBondContact O-CB 3.43Å; Q61-F65 PolarHBondContact O-N 2.99Å; Q61-P112 HydrophobicContact CB-CB 4.14Å; Q61-P112 HydrophobicContact CB-CG 3.77Å; Q61-F116 HydrophobicContact CB-CE2 4.35Å; Q61-F116 HydrophobicContact CG-CE2 4.11Å; Q61-F116 HydrophobicContact CG-CZ 4.37Å
62V97.5Very high95.6Very high30 Ų3079.4 Ų79.418%0.18240%0.398CS..Hα-helixtrans-67.9-46.2174.5171.70000110.1I58 Q59 K60 E64 F65 E66 P112I58-V62 WeakPolarHBondContact O-CG2 3.4Å; I58-V62 PolarHBondContact O-N 3.48Å; Q59-V62 WeakPolarHBondContact O-CB 3.4Å; Q59-V62 PolarHBondContact O-N 3.39Å; Q59-V62 VanDerWaalsContact O-N 3.08Å; K60-V62 VanDerWaalsContact C-N 3.28Å; K60-V62 PolarHBondContact O-N 3.15Å; V62-E64 PolarHBondContact O-N 3.01Å; V62-F65 WeakPolarHBondContact O-CB 3.31Å; V62-F65 PolarHBondContact O-N 2.98Å; V62-E66 WeakPolarHBondContact O-CG 3.41Å; V62-E66 PolarHBondContact O-N 3.01Å; V62-P112 HydrophobicContact CG2-CB 4.23Å; V62-P112 HydrophobicContact CG2-CG 3.83Å
63E97.6Very high96.2Very high116 Ų11674 Ų7454%0.54237%0.365SS..Hα-helixtrans-59.7-46.4176-66.9172.6-174.300111.6Q59 K60 F65 E66 I67Q59-E63 PolarHBondContact O-N 3.45Å; K60-E63 PolarHBondContact O-N 3.43Å; E63-F65 VanDerWaalsContact C-N 3.32Å; E63-F65 PolarHBondContact O-N 3.16Å; E63-E66 PolarHBondContact O-N 2.97Å; E63-I67 WeakPolarHBondContact O-CD1 3.31Å; E63-I67 VanDerWaalsContact O-CG1 3.26Å; E63-I67 WeakPolarHBondContact O-CG1 3.46Å; E63-I67 PolarHBondContact O-N 3.4Å
64E97.9Very high96.5Very high111 Ų11178 Ų7852%0.51939%0.388SS..Hα-helixtrans-60.3-40.3175.7-74.3173.4-166.200112.1K60 Q61 V62 G68K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 2.98Å; Q61-E64 PolarHBondContact NE2-OE2 3.08Å; V62-E64 PolarHBondContact O-N 3.01Å; E64-G68 PolarHBondContact O-N 3.02Å
65F97.6Very high96.8Very high25 Ų2580.1 Ų80.111%0.1139%0.394CS..Hα-helixtrans-64.6-44.4176.2172.9-98.4000112Q61 V62 E63 G68 K69 I88 M109 K110 H111Q61-F65 VanDerWaalsContact O-CB 3.29Å; Q61-F65 WeakPolarHBondContact O-CB 3.43Å; Q61-F65 PolarHBondContact O-N 2.99Å; V62-F65 WeakPolarHBondContact O-CB 3.31Å; V62-F65 PolarHBondContact O-N 2.98Å; E63-F65 VanDerWaalsContact C-N 3.32Å; E63-F65 PolarHBondContact O-N 3.16Å; F65-G68 PolarHBondContact O-N 2.92Å; F65-K69 VanDerWaalsContact O-CB 3.29Å; F65-K69 WeakPolarHBondContact O-CB 3.43Å; F65-K69 PolarHBondContact O-N 2.84Å; F65-I88 HydrophobicContact CE2-CD1 4.49Å; F65-I88 HydrophobicContact CZ-CD1 4.1Å; F65-M109 HydrophobicContact CD2-CE 3.67Å; F65-M109 HydrophobicContact CD2-CG 3.97Å; F65-M109 HydrophobicContact CE2-CE 3.87Å; F65-M109 HydrophobicContact CE2-CG 3.98Å; F65-M109 HydrophobicContact CG-CE 4.46Å; F65-M109 WeakPolarHBondContact O-CE 3.47Å; F65-K110 WeakPolarHBondContact CD2-O 3.35Å; F65-H111 HydrophobicContact CE1-CB 4.35Å; F65-H111 HydrophobicContact CZ-CB 4.47Å
66E96.5Very high97Very high105 Ų10579.4 Ų79.449%0.49138%0.378SS..Hα-helixtrans-65-41.8178.5-72.4179.6-178.300112.2V62 E63 K69 R70V62-E66 WeakPolarHBondContact O-CG 3.41Å; V62-E66 PolarHBondContact O-N 3.01Å; E63-E66 PolarHBondContact O-N 2.97Å; E66-K69 WeakPolarHBondContact O-CB 3.48Å; E66-K69 PolarHBondContact O-N 3.38Å; E66-R70 PolarHBondContact O-N 3.07Å
67I97.7Very high97.1Very high92 Ų9276.4 Ų76.447%0.47238%0.383SS..Hα-helixtrans-64.1-47.9174.5-66.6165.1000110E63 K69 R70 H71E63-I67 WeakPolarHBondContact O-CD1 3.31Å; E63-I67 VanDerWaalsContact O-CG1 3.26Å; E63-I67 WeakPolarHBondContact O-CG1 3.46Å; E63-I67 PolarHBondContact O-N 3.4Å; I67-K69 VanDerWaalsContact C-N 3.27Å; I67-K69 PolarHBondContact O-N 3.29Å; I67-R70 PolarHBondContact O-N 3.44Å; I67-H71 PolarHBondContact O-CD2 3.4Å; I67-H71 VanDerWaalsContact O-CD2 3.23Å; I67-H71 PolarHBondContact O-N 2.95Å
68G97.3Very high97.2Very high23 Ų2377.2 Ų77.224%0.23739%0.388CS..Hα-helixtrans-58.8-38.6176.500000112.5E64 F65 R70 H71 L72E64-G68 PolarHBondContact O-N 3.02Å; F65-G68 PolarHBondContact O-N 2.92Å; G68-R70 PolarHBondContact O-N 3.04Å; G68-H71 PolarHBondContact O-N 3.26Å; G68-L72 WeakPolarHBondContact O-CB 3.44Å; G68-L72 PolarHBondContact O-N 3.33Å
69K97.6Very high97.3Very high56 Ų5681.2 Ų81.224%0.24341%0.409CS..Hα-helixtrans-61.4-45.8178.4-179.5-174.4175.4-174.60110.8F65 E66 I67 L72 A73 F83 I88 M109F65-K69 VanDerWaalsContact O-CB 3.29Å; F65-K69 WeakPolarHBondContact O-CB 3.43Å; F65-K69 PolarHBondContact O-N 2.84Å; E66-K69 WeakPolarHBondContact O-CB 3.48Å; E66-K69 PolarHBondContact O-N 3.38Å; I67-K69 VanDerWaalsContact C-N 3.27Å; I67-K69 PolarHBondContact O-N 3.29Å; K69-L72 PolarHBondContact O-N 2.66Å; K69-A73 PolarHBondContact O-N 3.38Å; K69-F83 WeakPolarHBondContact CE-O 3.37Å; K69-F83 HydrophobicContact CG-CD1 4Å; K69-F83 PolarHBondContact NZ-O 3.39Å; K69-I88 HydrophobicContact CD-CD1 4.4Å; K69-I88 HydrophobicContact CG-CD1 4.15Å; K69-M109 HydrophobicContact CB-CE 4.34Å
70R97.4Very high97.3Very high142 Ų14277.8 Ų77.854%0.53640%0.397SS..Hα-helixtrans-64.2-40.5176.6-69178.9171.1157.80.9112.2E66 I67 G68 A73 N74 P80E66-R70 PolarHBondContact O-N 3.07Å; I67-R70 PolarHBondContact O-N 3.44Å; G68-R70 PolarHBondContact O-N 3.04Å; R70-A73 PolarHBondContact O-N 3.36Å; R70-N74 WeakPolarHBondContact O-CB 3.41Å; R70-N74 PolarHBondContact O-N 3.22Å; R70-P80 HydrophobicContact CG-CB 4.11Å
71H97.9Very high97.1Very high110 Ų11079.4 Ų79.451%0.50941%0.407SS..Hα-helixtrans-64.5-41.4175.1-73.1-50.2000112.5I67 G68 N74 M75I67-H71 PolarHBondContact O-CD2 3.4Å; I67-H71 VanDerWaalsContact O-CD2 3.23Å; I67-H71 PolarHBondContact O-N 2.95Å; G68-H71 PolarHBondContact O-N 3.26Å; H71-N74 PolarHBondContact O-N 3.23Å; H71-M75 WeakPolarHBondContact O-CG 3.37Å; H71-M75 PolarHBondContact O-N 3.43Å
72L97.9Very high97Very high8 Ų883.1 Ų83.14%0.04243%0.428CS..Hα-helixtrans-62.8-45.8177.2-174.958000111.5G68 K69 N74 M75 M76 F83 I88 I92 L95 M109G68-L72 WeakPolarHBondContact O-CB 3.44Å; G68-L72 PolarHBondContact O-N 3.33Å; K69-L72 PolarHBondContact O-N 2.66Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 3.4Å; L72-M75 HydrophobicContact CB-CE 4.39Å; L72-M75 HydrophobicContact CD1-CE 3.94Å; L72-M75 PolarHBondContact O-N 3.24Å; L72-M76 HydrophobicContact CD1-CG 4.39Å; L72-M76 WeakPolarHBondContact O-CG 3.39Å; L72-M76 PolarHBondContact O-N 3.41Å; L72-F83 HydrophobicContact CB-CE1 4.3Å; L72-F83 HydrophobicContact CD2-CE1 3.95Å; L72-F83 HydrophobicContact CD2-CZ 4.31Å; L72-F83 HydrophobicContact CG-CE1 3.96Å; L72-F83 HydrophobicContact CG-CZ 4.07Å; L72-I88 HydrophobicContact CD2-CB 4.33Å; L72-I88 HydrophobicContact CD2-CG1 4.32Å; L72-I88 HydrophobicContact CD2-CG2 3.94Å; L72-I92 HydrophobicContact CD2-CD1 4.46Å; L72-I92 HydrophobicContact CD2-CG1 4.21Å; L72-L95 HydrophobicContact CD1-CD1 3.53Å; L72-M109 HydrophobicContact CD2-SD 4.35Å
73A97.8Very high97Very high0 Ų081.9 Ų81.90%042%0.421CS..Hα-helixtrans-58.1-45.5174.700000111.8K69 R70 M75 M76 G77 E78 P80 F83K69-A73 PolarHBondContact O-N 3.38Å; R70-A73 PolarHBondContact O-N 3.36Å; A73-M75 PolarHBondContact O-N 3.02Å; A73-M76 CarbonylContact O-C 3.59Å; A73-M76 PolarHBondContact O-N 3.18Å; A73-G77 PolarHBondContact O-N 2.91Å; A73-E78 PolarHBondContact O-N 3.43Å; A73-P80 HydrophobicContact CB-CB 4.2Å; A73-P80 HydrophobicContact CB-CG 4.13Å; A73-F83 HydrophobicContact CB-CB 4.42Å; A73-F83 HydrophobicContact CB-CD1 4.25Å; A73-F83 HydrophobicContact CB-CD2 4.17Å; A73-F83 HydrophobicContact CB-CE2 4.49Å; A73-F83 HydrophobicContact CB-CG 4.06Å
74N97.8Very high96.9Very high125 Ų12579.4 Ų79.467%0.66841%0.414SS*.Hα-helixtrans-61.4-41.4176.5-173.829.1000112.9R70 H71 L72 M76 G77R70-N74 WeakPolarHBondContact O-CB 3.41Å; R70-N74 PolarHBondContact O-N 3.22Å; H71-N74 PolarHBondContact O-N 3.23Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 3.4Å; N74-M76 VanDerWaalsContact C-N 3.28Å; N74-M76 PolarHBondContact O-N 3.37Å; N74-G77 PolarHBondContact O-N 2.94Å
75M97.3Very high96.9Very high128 Ų12876.8 Ų76.863%0.63140%0.401SS*.Hα-helixtrans-63.6-34.6176.3-73.7-174-68.900112.6H71 L72 A73 L95H71-M75 WeakPolarHBondContact O-CG 3.37Å; H71-M75 PolarHBondContact O-N 3.43Å; L72-M75 HydrophobicContact CB-CE 4.39Å; L72-M75 HydrophobicContact CD1-CE 3.94Å; L72-M75 PolarHBondContact O-N 3.24Å; A73-M75 PolarHBondContact O-N 3.02Å; M75-L95 HydrophobicContact CE-CD1 4.44Å
76M97.4Very high96.8Very high59 Ų5983 Ų8329%0.29143%0.431SS..Hα-helixtrans-87.5-9.7179.7-60-55.5-6200113.3L72 A73 N74 E78 Y94 L95L72-M76 HydrophobicContact CD1-CG 4.39Å; L72-M76 WeakPolarHBondContact O-CG 3.39Å; L72-M76 PolarHBondContact O-N 3.41Å; A73-M76 CarbonylContact O-C 3.59Å; A73-M76 PolarHBondContact O-N 3.18Å; N74-M76 VanDerWaalsContact C-N 3.28Å; N74-M76 PolarHBondContact O-N 3.37Å; M76-E78 HydrophobicContact CB-CG 4.08Å; M76-Y94 HydrophobicContact CE-CD1 4.13Å; M76-Y94 HydrophobicContact SD-CD1 4.48Å; M76-L95 HydrophobicContact SD-CD1 4.39Å; M76-L95 HydrophobicContact SD-CD2 4.45Å; M76-L95 HydrophobicContact SD-CG 4.39Å
77G96.7Very high96.9Very high69 Ų6979.7 Ų79.771%0.71142%0.416SS*.THydrogen-bonded Turntrans7227-176.200000113.9A73 N74A73-G77 PolarHBondContact O-N 2.91Å; N74-G77 PolarHBondContact O-N 2.94Å
78E96.5Very high96.9Very high88 Ų8875.4 Ų75.441%0.41139%0.394SS..  trans-104159.1-179.7-62.2-77.7-164.500111.1A73 M76 P80 F83 R90A73-E78 PolarHBondContact O-N 3.43Å; M76-E78 HydrophobicContact CB-CG 4.08Å; E78-P80 WeakPolarHBondContact O-CD 3.3Å; E78-F83 HydrophobicContact CB-CD2 3.91Å; E78-F83 HydrophobicContact CB-CE2 4Å; E78-F83 HydrophobicContact CG-CD2 4.46Å; E78-F83 HydrophobicContact CG-CE2 4.15Å; E78-R90 IonicContact OE1-NH2 3.69Å; E78-R90 PolarHBondContact OE1-NH2 3.44Å
79D96.4Very high96.9Very high126 Ų12677.6 Ų77.667%0.67440%0.401SS*.  trans-72123.5178-73.7-30.6000111.7E81 N82 F83D79-E81 VanDerWaalsContact C-N 3.29Å; D79-E81 PolarHBondContact O-N 2.93Å; D79-N82 PolarHBondContact O-N 3.48Å; D79-F83 PolarHBondContact O-N 3.17Å
80P95.6Very high96.9Very high49 Ų4981.5 Ų81.532%0.31841%0.414SS..SBendtrans-62.1-31.1-174.3-25.233.7000115.4R70 A73 E78R70-P80 HydrophobicContact CG-CB 4.11Å; A73-P80 HydrophobicContact CB-CB 4.2Å; A73-P80 HydrophobicContact CB-CG 4.13Å; E78-P80 WeakPolarHBondContact O-CD 3.3Å
81E93.6Very high96.9Very high155 Ų15574.8 Ų74.872%0.72439%0.388SS*.SBendtrans-76.7-38.7-175.7-61.5-58140.400111.8D79 F83D79-E81 VanDerWaalsContact C-N 3.29Å; D79-E81 PolarHBondContact O-N 2.93Å; E81-F83 VanDerWaalsContact C-N 3.28Å; E81-F83 PolarHBondContact O-N 2.85Å
82N95.9Very high96.9Very high128 Ų12870.1 Ų70.168%0.68437%0.367SS*.SBendtrans-87.74178.6-167.554.7000113.1D79 T84D79-N82 PolarHBondContact O-N 3.48Å; N82-T84 PolarHBondContact O-N 2.87Å
83F96Very high96.9Very high5 Ų572.8 Ų72.82%0.02239%0.39CS..  trans-73.3110.5-175.7-158.1-118.8000110.8K69 L72 A73 E78 D79 E81 D87 I88K69-F83 WeakPolarHBondContact CE-O 3.37Å; K69-F83 HydrophobicContact CG-CD1 4Å; K69-F83 PolarHBondContact NZ-O 3.39Å; L72-F83 HydrophobicContact CB-CE1 4.3Å; L72-F83 HydrophobicContact CD2-CE1 3.95Å; L72-F83 HydrophobicContact CD2-CZ 4.31Å; L72-F83 HydrophobicContact CG-CE1 3.96Å; L72-F83 HydrophobicContact CG-CZ 4.07Å; A73-F83 HydrophobicContact CB-CB 4.42Å; A73-F83 HydrophobicContact CB-CD1 4.25Å; A73-F83 HydrophobicContact CB-CD2 4.17Å; A73-F83 HydrophobicContact CB-CE2 4.49Å; A73-F83 HydrophobicContact CB-CG 4.06Å; E78-F83 HydrophobicContact CB-CD2 3.91Å; E78-F83 HydrophobicContact CB-CE2 4Å; E78-F83 HydrophobicContact CG-CD2 4.46Å; E78-F83 HydrophobicContact CG-CE2 4.15Å; D79-F83 PolarHBondContact O-N 3.17Å; E81-F83 VanDerWaalsContact C-N 3.28Å; E81-F83 PolarHBondContact O-N 2.85Å; F83-D87 HydrophobicContact CD2-CB 3.73Å; F83-D87 HydrophobicContact CE2-CB 3.51Å; F83-D87 HydrophobicContact CG-CB 4.35Å; F83-D87 HydrophobicContact CZ-CB 3.97Å; F83-I88 HydrophobicContact CD1-CD1 4.31Å; F83-I88 HydrophobicContact CD1-CG1 3.59Å; F83-I88 HydrophobicContact CE1-CB 4.25Å; F83-I88 HydrophobicContact CE1-CD1 4.44Å; F83-I88 HydrophobicContact CE1-CG1 3.33Å; F83-I88 HydrophobicContact CZ-CG1 4.31Å
84T97Very high96.9Very high64 Ų6480.9 Ų80.939%0.39342%0.422SS..  trans-88169-17770.20000112.1N82 E86 D87 I88N82-T84 PolarHBondContact O-N 2.87Å; T84-E86 PolarHBondContact O-N 3.13Å; T84-D87 WeakPolarHBondContact CB-OD2 3.5Å; T84-D87 PolarHBondContact N-OD2 3.15Å; T84-D87 PolarHBondContact O-N 3.04Å; T84-D87 PolarHBondContact OG1-N 3.41Å; T84-D87 PolarHBondContact OG1-OD2 3.29Å; T84-I88 WeakPolarHBondContact O-CG1 3.5Å; T84-I88 PolarHBondContact O-N 3.43Å; T84-I88 VanDerWaalsContact O-N 3.12Å
85Q96.5Very high96.9Very high55 Ų5577.9 Ų77.926%0.25741%0.406SS..Hα-helixtrans-64.3-29.6175.8-174.261.345.700112.4D87 I88 D89 M109Q85-D87 VanDerWaalsContact C-N 3.34Å; Q85-I88 WeakPolarHBondContact O-CB 3.49Å; Q85-I88 PolarHBondContact O-N 2.91Å; Q85-D89 PolarHBondContact NE2-OD1 3.31Å; Q85-D89 PolarHBondContact O-N 3.31Å; Q85-M109 PolarHBondContact NE2-O 3.31Å
86E97.1Very high96.9Very high157 Ų15777.8 Ų77.873%0.73440%0.402SS*.Hα-helixtrans-67.3-38.4176.2-60.8-178.2179.200111.2T84 D89 R90T84-E86 PolarHBondContact O-N 3.13Å; E86-D89 PolarHBondContact O-N 3.19Å; E86-R90 WeakPolarHBondContact O-CB 3.46Å; E86-R90 PolarHBondContact O-N 3.35Å
87D97.4Very high96.9Very high35 Ų3580 Ų8019%0.18742%0.421CS..Hα-helixtrans-67.3-38.9175.4-56.6-50.1000111.2F83 T84 Q85 R90 S91F83-D87 HydrophobicContact CD2-CB 3.73Å; F83-D87 HydrophobicContact CE2-CB 3.51Å; F83-D87 HydrophobicContact CG-CB 4.35Å; F83-D87 HydrophobicContact CZ-CB 3.97Å; T84-D87 WeakPolarHBondContact CB-OD2 3.5Å; T84-D87 PolarHBondContact N-OD2 3.15Å; T84-D87 PolarHBondContact O-N 3.04Å; T84-D87 PolarHBondContact OG1-N 3.41Å; T84-D87 PolarHBondContact OG1-OD2 3.29Å; Q85-D87 VanDerWaalsContact C-N 3.34Å; D87-R90 PolarHBondContact O-N 3.21Å; D87-R90 IonicContact OD1-CZ 3.76Å; D87-R90 IonicContact OD1-NH1 3.98Å; D87-R90 IonicContact OD1-NH2 3.89Å; D87-S91 VanDerWaalsContact O-CB 3.25Å; D87-S91 WeakPolarHBondContact O-CB 3.5Å; D87-S91 PolarHBondContact O-N 3.39Å; D87-S91 PolarHBondContact O-OG 2.83Å
88I97.6Very high97Very high2 Ų278.6 Ų78.61%0.0140%0.4CS..Hα-helixtrans-58.6-52.6172.3-66.5168.8000110.1F65 K69 L72 F83 T84 Q85 R90 S91 I92 M109F65-I88 HydrophobicContact CE2-CD1 4.49Å; F65-I88 HydrophobicContact CZ-CD1 4.1Å; K69-I88 HydrophobicContact CD-CD1 4.4Å; K69-I88 HydrophobicContact CG-CD1 4.15Å; L72-I88 HydrophobicContact CD2-CB 4.33Å; L72-I88 HydrophobicContact CD2-CG1 4.32Å; L72-I88 HydrophobicContact CD2-CG2 3.94Å; F83-I88 HydrophobicContact CD1-CD1 4.31Å; F83-I88 HydrophobicContact CD1-CG1 3.59Å; F83-I88 HydrophobicContact CE1-CB 4.25Å; F83-I88 HydrophobicContact CE1-CD1 4.44Å; F83-I88 HydrophobicContact CE1-CG1 3.33Å; F83-I88 HydrophobicContact CZ-CG1 4.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.5Å; T84-I88 PolarHBondContact O-N 3.43Å; T84-I88 VanDerWaalsContact O-N 3.12Å; Q85-I88 WeakPolarHBondContact O-CB 3.49Å; Q85-I88 PolarHBondContact O-N 2.91Å; I88-R90 VanDerWaalsContact C-N 3.32Å; I88-R90 PolarHBondContact O-N 3.44Å; I88-S91 PolarHBondContact O-N 2.98Å; I88-I92 HydrophobicContact CG2-CD1 3.62Å; I88-I92 HydrophobicContact CG2-CG1 4.44Å; I88-I92 WeakPolarHBondContact O-CG1 3.32Å; I88-I92 PolarHBondContact O-N 2.89Å; I88-M109 HydrophobicContact CG2-CB 4.15Å; I88-M109 WeakPolarHBondContact CG2-O 3.17Å; I88-M109 HydrophobicContact CG2-SD 4.5Å
89D97.4Very high97Very high69 Ų6978 Ų7837%0.36942%0.417SS..Hα-helixtrans-61.6-40.8-178-72.4-6.4000111.4Q85 E86 A93Q85-D89 PolarHBondContact NE2-OD1 3.31Å; Q85-D89 PolarHBondContact O-N 3.31Å; E86-D89 PolarHBondContact O-N 3.19Å; D89-A93 WeakPolarHBondContact O-CB 3.25Å; D89-A93 PolarHBondContact O-N 3.23Å
90R97.6Very high97Very high138 Ų13876.2 Ų76.252%0.52141%0.408SS..Hα-helixtrans-62.6-46.1174.7-175.5-178.174.4-166.45.1111.5E78 E86 D87 I88 A93 Y94E78-R90 IonicContact OE1-NH2 3.69Å; E78-R90 PolarHBondContact OE1-NH2 3.44Å; E86-R90 WeakPolarHBondContact O-CB 3.46Å; E86-R90 PolarHBondContact O-N 3.35Å; D87-R90 PolarHBondContact O-N 3.21Å; D87-R90 IonicContact OD1-CZ 3.76Å; D87-R90 IonicContact OD1-NH1 3.98Å; D87-R90 IonicContact OD1-NH2 3.89Å; I88-R90 VanDerWaalsContact C-N 3.32Å; I88-R90 PolarHBondContact O-N 3.44Å; R90-A93 PolarHBondContact O-N 3.08Å; R90-Y94 PolarHBondContact O-N 2.96Å; R90-Y94 VanDerWaalsContact O-N 3.11Å
91S97.8Very high97.1Very high0 Ų083.6 Ų83.60%044%0.435CS..Hα-helixtrans-65.8-41.3-178.2-56.90000111.3D87 I88 Y94 L95D87-S91 VanDerWaalsContact O-CB 3.25Å; D87-S91 WeakPolarHBondContact O-CB 3.5Å; D87-S91 PolarHBondContact O-N 3.39Å; D87-S91 PolarHBondContact O-OG 2.83Å; I88-S91 PolarHBondContact O-N 2.98Å; S91-Y94 WeakPolarHBondContact O-CB 3.4Å; S91-Y94 PolarHBondContact O-N 3.23Å; S91-L95 WeakPolarHBondContact O-CG 3.26Å; S91-L95 PolarHBondContact O-N 2.9Å
92I97.8Very high97.3Very high13 Ų1381.8 Ų81.87%0.06743%0.426CS..Hα-helixtrans-68-40.7177-69.8170.8000111.5L72 I88 Y94 L95 F96 P107 M109L72-I92 HydrophobicContact CD2-CD1 4.46Å; L72-I92 HydrophobicContact CD2-CG1 4.21Å; I88-I92 HydrophobicContact CG2-CD1 3.62Å; I88-I92 HydrophobicContact CG2-CG1 4.44Å; I88-I92 WeakPolarHBondContact O-CG1 3.32Å; I88-I92 PolarHBondContact O-N 2.89Å; I92-Y94 PolarHBondContact O-N 3.13Å; I92-L95 PolarHBondContact O-N 2.99Å; I92-F96 HydrophobicContact CG2-CD2 4.28Å; I92-F96 CarbonylContact O-C 3.55Å; I92-F96 WeakPolarHBondContact O-CA 3.45Å; I92-F96 PolarHBondContact O-N 3.31Å; I92-P107 HydrophobicContact CG2-CB 3.98Å; I92-M109 HydrophobicContact CD1-CB 3.17Å; I92-M109 HydrophobicContact CD1-CG 4.36Å; I92-M109 HydrophobicContact CD1-SD 4.38Å
93A97.8Very high97.3Very high63 Ų6383.3 Ų83.352%0.52143%0.427SS..Hα-helixtrans-60.9-31.5174.900000112.3D89 R90 P97D89-A93 WeakPolarHBondContact O-CB 3.25Å; D89-A93 PolarHBondContact O-N 3.23Å; R90-A93 PolarHBondContact O-N 3.08Å; A93-P97 WeakPolarHBondContact O-CA 3.23Å
94Y97.8Very high97.3Very high170 Ų17093.4 Ų93.467%0.66747%0.465SS*.Hα-helixtrans-76.9-49.7175.4175.6-104.6000112.9M76 R90 S91 I92M76-Y94 HydrophobicContact CE-CD1 4.13Å; M76-Y94 HydrophobicContact SD-CD1 4.48Å; R90-Y94 PolarHBondContact O-N 2.96Å; R90-Y94 VanDerWaalsContact O-N 3.11Å; S91-Y94 WeakPolarHBondContact O-CB 3.4Å; S91-Y94 PolarHBondContact O-N 3.23Å; I92-Y94 PolarHBondContact O-N 3.13Å
95L97.9Very high97.3Very high62 Ų6293.2 Ų93.233%0.32547%0.47SS..Hα-helixtrans-70.7-37-177.3-66.6174.7000112.5L72 M75 M76 S91 I92 P97L72-L95 HydrophobicContact CD1-CD1 3.53Å; M75-L95 HydrophobicContact CE-CD1 4.44Å; M76-L95 HydrophobicContact SD-CD1 4.39Å; M76-L95 HydrophobicContact SD-CD2 4.45Å; M76-L95 HydrophobicContact SD-CG 4.39Å; S91-L95 WeakPolarHBondContact O-CG 3.26Å; S91-L95 PolarHBondContact O-N 2.9Å; I92-L95 PolarHBondContact O-N 2.99Å; L95-P97 VanDerWaalsContact C-CD 3.46Å; L95-P97 WeakPolarHBondContact O-CD 3.41Å
96F97.8Very high97.3Very high127 Ų12795.5 Ų95.556%0.55748%0.476SS*.SBendtrans-124.668.9-177.7-53.7-70.6000110.8I92 S98 P107I92-F96 HydrophobicContact CG2-CD2 4.28Å; I92-F96 CarbonylContact O-C 3.55Å; I92-F96 WeakPolarHBondContact O-CA 3.45Å; I92-F96 PolarHBondContact O-N 3.31Å; F96-S98 PolarHBondContact O-N 3.47Å; F96-P107 HydrophobicContact CB-CB 4.09Å; F96-P107 HydrophobicContact CB-CG 3.96Å
97P97.3Very high97.3Very high106 Ų10691.1 Ų91.169%0.68846%0.461SS*.  trans-67.9109.2-17527.7-33.8000110.7A93 L95A93-P97 WeakPolarHBondContact O-CA 3.23Å; L95-P97 VanDerWaalsContact C-CD 3.46Å; L95-P97 WeakPolarHBondContact O-CD 3.41Å
98S97.4Very high97.3Very high38 Ų3893.5 Ų93.527%0.26647%0.474SS..  trans-108.7119.2178.8-179.10000111.7F96 L100F96-S98 PolarHBondContact O-N 3.47Å; S98-L100 PolarHBondContact O-N 3.4Å; S98-L100 WeakPolarHBondContact OG-CG 3.49Å
99G96.8Very high97.2Very high76 Ų7695.6 Ų95.678%0.78448%0.484SS*.  trans-80.99.617600000114.7F101G99-F101 PolarHBondContact O-N 3.25Å
100L97.5Very high97.2Very high89 Ų8995.4 Ų95.447%0.46648%0.48SS..  trans-64.7133.8-178.8-65.6176.7000111.1S98 A105 R106S98-L100 PolarHBondContact O-N 3.4Å; S98-L100 WeakPolarHBondContact OG-CG 3.49Å; L100-A105 HydrophobicContact CD1-CB 4.08Å; L100-A105 WeakPolarHBondContact CD1-O 3.33Å; L100-R106 HydrophobicContact CB-CG 4.35Å; L100-R106 VanDerWaalsContact O-CZ 3.26Å; L100-R106 PolarHBondContact O-NE 2.93Å; L100-R106 PolarHBondContact O-NH2 3.36Å
101F97.6Very high97.2Very high204 Ų20491.8 Ų91.890%0.89547%0.469SS*.SBendtrans-65.8-39.9177.7-65.3-63.8000112G99 K103G99-F101 PolarHBondContact O-N 3.25Å; F101-K103 PolarHBondContact O-N 3.42Å
102E97.5Very high97.1Very high116 Ų11692 Ų9254%0.54247%0.47SS..  trans-75.6112.8179.3-168.758-141.700110.1R104 A105E102-R104 VanDerWaalsContact C-N 3.27Å; E102-R104 HydrophobicContact CG-CB 4.47Å; E102-R104 PolarHBondContact O-N 3.03Å; E102-A105 HydrophobicContact CB-CB 4.3Å; E102-A105 HydrophobicContact CG-CB 4.48Å; E102-A105 PolarHBondContact O-N 3.43Å
103K96.1Very high96.9Very high161 Ų16195.5 Ų95.570%0.749%0.492SS*.G310 helixtrans-64.2-32.4-175.6-66.2-175.3179.5-176.30112.6F101 A105 R106F101-K103 PolarHBondContact O-N 3.42Å; K103-A105 VanDerWaalsContact C-N 3.26Å; K103-A105 PolarHBondContact O-N 2.94Å; K103-R106 WeakPolarHBondContact O-CB 3.1Å; K103-R106 PolarHBondContact O-N 3.48Å
104R95.4Very high96.7Very high216 Ų21698 Ų9882%0.81549%0.493SS*.G310 helixtrans-69.5-20.9180-65.5178.5178.1172.1-0.4113.8E102E102-R104 VanDerWaalsContact C-N 3.27Å; E102-R104 HydrophobicContact CG-CB 4.47Å; E102-R104 PolarHBondContact O-N 3.03Å
105A96.5Very high96.6Very high61 Ų6193.8 Ų93.850%0.50448%0.481SS..G310 helixtrans-92.6-1.7178.500000112.8L100 E102 K103L100-A105 HydrophobicContact CD1-CB 4.08Å; L100-A105 WeakPolarHBondContact CD1-O 3.33Å; E102-A105 HydrophobicContact CB-CB 4.3Å; E102-A105 HydrophobicContact CG-CB 4.48Å; E102-A105 PolarHBondContact O-N 3.43Å; K103-A105 VanDerWaalsContact C-N 3.26Å; K103-A105 PolarHBondContact O-N 2.94Å
106R96.8Very high96.4Very high102 Ų10292.8 Ų92.839%0.38547%0.474SS..SBendtrans-76.7155.6176.1-62.9-180-178.8-168.6-5.3110L100 K103 L108L100-R106 HydrophobicContact CB-CG 4.35Å; L100-R106 VanDerWaalsContact O-CZ 3.26Å; L100-R106 PolarHBondContact O-NE 2.93Å; L100-R106 PolarHBondContact O-NH2 3.36Å; K103-R106 WeakPolarHBondContact O-CB 3.1Å; K103-R106 PolarHBondContact O-N 3.48Å; R106-L108 PolarHBondContact O-N 2.62Å
107P97.8Very high96.1Very high65 Ų6590.9 Ų90.942%0.42248%0.475SS..  trans-54.1131.3167.7-22.233.4000110.1I92 F96I92-P107 HydrophobicContact CG2-CB 3.98Å; F96-P107 HydrophobicContact CB-CB 4.09Å; F96-P107 HydrophobicContact CB-CG 3.96Å
108L96.3Very high95.8Very high85 Ų8592.8 Ų92.845%0.44547%0.472SS..  trans-144.2147.1176.963.692.8000109R106 K110 I115R106-L108 PolarHBondContact O-N 2.62Å; L108-K110 HydrophobicContact CD1-CB 4.41Å; L108-K110 HydrophobicContact CD1-CD 4.2Å; L108-K110 HydrophobicContact CD1-CG 4.19Å; L108-I115 HydrophobicContact CD1-CD1 4.2Å; L108-I115 HydrophobicContact CD1-CG1 4.33Å
109M96.9Very high95.5Very high46 Ų4695.1 Ų95.123%0.22748%0.479CS..  trans-131.2111.2171.2-174-173.6154.700106.4F65 K69 L72 Q85 I88 I92F65-M109 HydrophobicContact CD2-CE 3.67Å; F65-M109 HydrophobicContact CD2-CG 3.97Å; F65-M109 HydrophobicContact CE2-CE 3.87Å; F65-M109 HydrophobicContact CE2-CG 3.98Å; F65-M109 HydrophobicContact CG-CE 4.46Å; F65-M109 WeakPolarHBondContact O-CE 3.47Å; K69-M109 HydrophobicContact CB-CE 4.34Å; L72-M109 HydrophobicContact CD2-SD 4.35Å; Q85-M109 PolarHBondContact NE2-O 3.31Å; I88-M109 HydrophobicContact CG2-CB 4.15Å; I88-M109 WeakPolarHBondContact CG2-O 3.17Å; I88-M109 HydrophobicContact CG2-SD 4.5Å; I92-M109 HydrophobicContact CD1-CB 3.17Å; I92-M109 HydrophobicContact CD1-CG 4.36Å; I92-M109 HydrophobicContact CD1-SD 4.38Å
110K96.8Very high95.2Very high66 Ų6696.1 Ų96.129%0.28746%0.459SS..  trans-131.2164.6-177.1-73.4-178.9154.1-119.70109.3F65 L108 E114 I115F65-K110 WeakPolarHBondContact CD2-O 3.35Å; L108-K110 HydrophobicContact CD1-CB 4.41Å; L108-K110 HydrophobicContact CD1-CD 4.2Å; L108-K110 HydrophobicContact CD1-CG 4.19Å; K110-E114 WeakPolarHBondContact CD-OE2 3.38Å; K110-E114 IonicContact NZ-OE2 3.64Å; K110-E114 PolarHBondContact NZ-OE2 3.41Å; K110-I115 HydrophobicContact CB-CD1 4Å; K110-I115 HydrophobicContact CB-CG1 3.87Å; K110-I115 VanDerWaalsContact O-CD1 3.3Å; K110-I115 WeakPolarHBondContact O-CD1 3.3Å
111H97.2Very high94.9Very high61 Ų6195.8 Ų95.828%0.28247%0.469SS..  trans-58.7137.2173.1-170.4-96.3000110.7F65 V113 E114 I115F65-H111 HydrophobicContact CE1-CB 4.35Å; F65-H111 HydrophobicContact CZ-CB 4.47Å; H111-V113 VanDerWaalsContact CE1-CG2 3.45Å; H111-V113 WeakPolarHBondContact CE1-CG2 3.29Å; H111-V113 WeakPolarHBondContact ND1-CB 3.31Å; H111-V113 PolarHBondContact ND1-N 3.05Å; H111-V113 PolarHBondContact O-N 3.1Å; H111-E114 PolarHBondContact O-N 3.26Å; H111-I115 PolarHBondContact O-N 3.48Å
112P96.8Very high94.6Very high4 Ų491.1 Ų91.13%0.02646%0.457CS..Hα-helixtrans-53.3-31.3-175.8-3237.4000115Q61 V62 E114 I115 F116Q61-P112 HydrophobicContact CB-CB 4.14Å; Q61-P112 HydrophobicContact CB-CG 3.77Å; V62-P112 HydrophobicContact CG2-CB 4.23Å; V62-P112 HydrophobicContact CG2-CG 3.83Å; P112-E114 PolarHBondContact O-N 2.6Å; P112-I115 PolarHBondContact O-N 3.49Å; P112-F116 HydrophobicContact CB-CD2 3.89Å; P112-F116 HydrophobicContact CB-CE2 4.07Å; P112-F116 VanDerWaalsContact O-CD2 3.3Å; P112-F116 WeakPolarHBondContact O-CD2 3.39Å; P112-F116 PolarHBondContact O-N 3.46Å
113V93.5Very high94.4Very high88 Ų8887.3 Ų87.353%0.53344%0.439SS..Hα-helixtrans-64.6-26177.81760000113H111H111-V113 VanDerWaalsContact CE1-CG2 3.45Å; H111-V113 WeakPolarHBondContact CE1-CG2 3.29Å; H111-V113 WeakPolarHBondContact ND1-CB 3.31Å; H111-V113 PolarHBondContact ND1-N 3.05Å; H111-V113 PolarHBondContact O-N 3.1Å
114E93.5Very high94.4Very high116 Ų11685.8 Ų85.854%0.54243%0.429SS..Hα-helixtrans-85.5-27.9174.7-66-175.4-161.700112.8K110 H111 P112K110-E114 WeakPolarHBondContact CD-OE2 3.38Å; K110-E114 IonicContact NZ-OE2 3.64Å; K110-E114 PolarHBondContact NZ-OE2 3.41Å; H111-E114 PolarHBondContact O-N 3.26Å; P112-E114 PolarHBondContact O-N 2.6Å
115I94.5Very high94.4Very high81 Ų8176.1 Ų76.142%0.41540%0.396SS..Hα-helixtrans-83.5-52.5-176.1-61.4178.2000110.3L108 K110 H111 P112L108-I115 HydrophobicContact CD1-CD1 4.2Å; L108-I115 HydrophobicContact CD1-CG1 4.33Å; K110-I115 HydrophobicContact CB-CD1 4Å; K110-I115 HydrophobicContact CB-CG1 3.87Å; K110-I115 VanDerWaalsContact O-CD1 3.3Å; K110-I115 WeakPolarHBondContact O-CD1 3.3Å; H111-I115 PolarHBondContact O-N 3.48Å; P112-I115 PolarHBondContact O-N 3.49Å
116F93.7Very high94.4Very high40 Ų4080.3 Ų80.318%0.17542%0.419CS..SBendtrans-84.7138.2-175.1-62.1-72.8000110.5F53 F57 I58 Q61 P112F53-F116 HydrophobicContact CD1-CD1 4.09Å; F53-F116 HydrophobicContact CD1-CE1 4.13Å; F53-F116 HydrophobicContact CD2-CB 4.44Å; F53-F116 AromaticContact CD2-CD1 3.9Å; F53-F116 HydrophobicContact CD2-CD1 3.9Å; F53-F116 HydrophobicContact CD2-CG 4.5Å; F53-F116 AromaticContact CE1-CD1 3.86Å; F53-F116 HydrophobicContact CE1-CD1 3.86Å; F53-F116 AromaticContact CE1-CE1 3.73Å; F53-F116 HydrophobicContact CE1-CE1 3.73Å; F53-F116 AromaticContact CE2-CD1 3.7Å; F53-F116 HydrophobicContact CE2-CD1 3.7Å; F53-F116 HydrophobicContact CE2-CE1 4.37Å; F53-F116 HydrophobicContact CG-CD1 4.12Å; F53-F116 AromaticContact CZ-CD1 3.68Å; F53-F116 HydrophobicContact CZ-CD1 3.68Å; F53-F116 AromaticContact CZ-CE1 3.89Å; F53-F116 HydrophobicContact CZ-CE1 3.89Å; F57-F116 AromaticContact CE1-CE1 3.94Å; F57-F116 HydrophobicContact CE1-CE1 3.94Å; F57-F116 HydrophobicContact CE1-CE2 4.21Å; F57-F116 AromaticContact CE1-CZ 3.72Å; F57-F116 HydrophobicContact CE1-CZ 3.72Å; F57-F116 HydrophobicContact CZ-CE1 4.46Å; F57-F116 HydrophobicContact CZ-CZ 4.12Å; I58-F116 HydrophobicContact CD1-CB 3.97Å; I58-F116 HydrophobicContact CD1-CD2 3.65Å; I58-F116 HydrophobicContact CD1-CE2 4.34Å; I58-F116 HydrophobicContact CD1-CG 3.84Å; Q61-F116 HydrophobicContact CB-CE2 4.35Å; Q61-F116 HydrophobicContact CG-CE2 4.11Å; Q61-F116 HydrophobicContact CG-CZ 4.37Å; P112-F116 HydrophobicContact CB-CD2 3.89Å; P112-F116 HydrophobicContact CB-CE2 4.07Å; P112-F116 VanDerWaalsContact O-CD2 3.3Å; P112-F116 WeakPolarHBondContact O-CD2 3.39Å; P112-F116 PolarHBondContact O-N 3.46Å
117P92.1Very high94.3Very high88 Ų8881.2 Ų81.257%0.57143%0.431SS*.PPolyproline II helixtrans-64.5141.9175.828.3-34.3000110.1Q119P117-Q119 PolarHBondContact O-N 3.23Å
118K92Very high94.1Very high145 Ų14580.4 Ų80.463%0.6344%0.435SS*.PPolyproline II helixtrans-59.6126.8172.8-66.3-177.7-179.1178.50109.2V194K118-V194 HydrophobicContact CB-CG1 4.35Å; K118-V194 HydrophobicContact CB-CG2 4.01Å; K118-V194 WeakPolarHBondContact O-CG1 3.43Å
119Q89.8Confident94.1Very high87 Ų8785 Ų8541%0.40745%0.446SS..  trans-108.7150.9176-60.3-167.1-6.800109.9F53 P117F53-Q119 VanDerWaalsContact CD2-NE2 3.26Å; F53-Q119 PolarHBondContact O-OE1 3.21Å; P117-Q119 PolarHBondContact O-N 3.23Å
120R90.1Very high94.1Very high97 Ų9783.9 Ų83.937%0.36644%0.442SS..PPolyproline II helixtrans-70137.2173.4-62.4-174.4-171.21740.7109.3V194 E195R120-V194 HydrophobicContact CG-CB 4.32Å; R120-V194 HydrophobicContact CG-CG1 3.96Å; R120-V194 PolarHBondContact NE-O 3.49Å; R120-V194 PolarHBondContact NH2-O 3.26Å; R120-E195 IonicContact CZ-OE1 3.84Å; R120-E195 IonicContact NE-OE1 2.78Å; R120-E195 IonicContact NH1-OE1 2.7Å; R120-E195 PolarHBondContact NH1-OE1 3.28Å; R120-E195 IonicContact NH2-OE1 2.91Å; R120-E195 PolarHBondContact NH2-OE1 2.9Å; R120-E195 VanDerWaalsContact NH2-OE1 3.15Å
121A91.1Very high94.1Very high83 Ų8387.8 Ų87.869%0.68646%0.46SS*.PPolyproline II helixtrans-64.7162.2168.300000110.9Q123A121-Q123 WeakPolarHBondContact O-CG 3.48Å; A121-Q123 PolarHBondContact O-N 2.83Å
122V92.9Very high94.1Very high105 Ų10587.2 Ų87.264%0.63646%0.457SS*.PPolyproline II helixtrans-55.3130.9170.8-176.40000108.9W124 F131V122-W124 WeakPolarHBondContact CG1-O 3.41Å; V122-F131 WeakPolarHBondContact O-CE2 3.38Å
123Q93.4Very high94Very high37 Ų3793.9 Ų93.917%0.17349%0.485CS..  trans-96.3-2.3-168.7-63.9-175.8-30.200113.9A121 P130 F131 F135 Q140A121-Q123 WeakPolarHBondContact O-CG 3.48Å; A121-Q123 PolarHBondContact O-N 2.83Å; Q123-P130 CarbonylContact O-C 3.59Å; Q123-P130 WeakPolarHBondContact O-CA 3.42Å; Q123-F131 VanDerWaalsContact C-CD2 3.43Å; Q123-F131 WeakPolarHBondContact O-CD2 3.46Å; Q123-F131 PolarHBondContact O-N 3.47Å; Q123-F135 HydrophobicContact CB-CD2 3.91Å; Q123-F135 HydrophobicContact CB-CE2 3.66Å; Q123-F135 HydrophobicContact CG-CE2 4.44Å; Q123-Q140 VanDerWaalsContact NE2-NE2 3.15Å
124W95.6Very high94.2Very high129 Ų12991.4 Ų91.449%0.48947%0.469SS..BIsolated β-bridgetrans-140.8155.4-179.553.881.9000111.4V122 R129 F131 F135V122-W124 WeakPolarHBondContact CG1-O 3.41Å; W124-R129 VanDerWaalsContact CA-O 3.3Å; W124-R129 WeakPolarHBondContact CA-O 3.18Å; W124-R129 WeakPolarHBondContact CB-O 3.4Å; W124-F131 VanDerWaalsContact C-CZ 3.47Å; W124-F135 AromaticContact CE3-CE2 3.71Å; W124-F135 HydrophobicContact CE3-CE2 3.71Å; W124-F135 AromaticContact CE3-CZ 3.65Å; W124-F135 HydrophobicContact CE3-CZ 3.65Å; W124-F135 AromaticContact CZ3-CE2 3.78Å; W124-F135 HydrophobicContact CZ3-CE2 3.78Å; W124-F135 AromaticContact CZ3-CZ 3.64Å; W124-F135 HydrophobicContact CZ3-CZ 3.64Å
125G94.7Very high94.4Very high12 Ų1287.7 Ų87.712%0.12445%0.451CS..  trans-80.9-179.3174.900000113.3D127 G128 R129G125-D127 VanDerWaalsContact C-OD1 3.3Å; G125-D127 VanDerWaalsContact CA-OD1 3.29Å; G125-D127 WeakPolarHBondContact CA-OD1 3.47Å; G125-D127 PolarHBondContact O-N 3.48Å; G125-G128 PolarHBondContact O-N 3.04Å; G125-R129 PolarHBondContact N-O 3.5Å
126P95.8Very high94.5Very high150 Ų15092.7 Ų92.797%0.97447%0.466SS*.THydrogen-bonded Turntrans-63.1-20.117327.5-35000113.1G128P126-G128 PolarHBondContact O-N 3.13Å
127D96.2Very high94.5Very high120 Ų12093.8 Ų93.864%0.64248%0.476SS*.THydrogen-bonded Turntrans-72.8-11.3171.862.5-17.4000113.4G125 R129G125-D127 VanDerWaalsContact C-OD1 3.3Å; G125-D127 VanDerWaalsContact CA-OD1 3.29Å; G125-D127 WeakPolarHBondContact CA-OD1 3.47Å; G125-D127 PolarHBondContact O-N 3.48Å; D127-R129 PolarHBondContact O-N 3.14Å; D127-R129 PolarHBondContact OD1-N 3.32Å; D127-R129 VanDerWaalsContact OD2-CB 3.31Å; D127-R129 WeakPolarHBondContact OD2-CB 3.36Å
128G93.8Very high94.6Very high48 Ų4892.1 Ų92.150%0.49548%0.475SS..  trans77.45.8-177.100000114G125 P126G125-G128 PolarHBondContact O-N 3.04Å; P126-G128 PolarHBondContact O-N 3.13Å
129R95.4Very high94.7Very high183 Ų18387.9 Ų87.969%0.69146%0.457SS*.  trans-82.6126.9178.1-173.3176.6178.2178.10110.2W124 G125 D127W124-R129 VanDerWaalsContact CA-O 3.3Å; W124-R129 WeakPolarHBondContact CA-O 3.18Å; W124-R129 WeakPolarHBondContact CB-O 3.4Å; G125-R129 PolarHBondContact N-O 3.5Å; D127-R129 PolarHBondContact O-N 3.14Å; D127-R129 PolarHBondContact OD1-N 3.32Å; D127-R129 VanDerWaalsContact OD2-CB 3.31Å; D127-R129 WeakPolarHBondContact OD2-CB 3.36Å
130P97.1Very high95Very high22 Ų2285.3 Ų85.314%0.14345%0.445CS..BIsolated β-bridgetrans-64.6141.9173.9-22.633.9000112.7Q123 F135 Y136Q123-P130 CarbonylContact O-C 3.59Å; Q123-P130 WeakPolarHBondContact O-CA 3.42Å; P130-F135 HydrophobicContact CB-CB 3.56Å; P130-F135 HydrophobicContact CB-CD1 3.66Å; P130-F135 HydrophobicContact CB-CD2 3.93Å; P130-F135 HydrophobicContact CB-CE1 4.3Å; P130-F135 HydrophobicContact CB-CG 3.44Å; P130-F135 VanDerWaalsContact CB-CG 3.44Å; P130-F135 HydrophobicContact CG-CB 4.19Å; P130-F135 HydrophobicContact CG-CD1 3.36Å; P130-F135 HydrophobicContact CG-CD2 4.41Å; P130-F135 HydrophobicContact CG-CE1 3.73Å; P130-F135 HydrophobicContact CG-CG 3.75Å; P130-F135 HydrophobicContact CG-CZ 4.39Å; P130-Y136 HydrophobicContact CG-CE2 4.08Å
131F96.3Very high95.3Very high148 Ų14882 Ų8265%0.64944%0.438SS*.SBendtrans-71.5-34.4178.5-59.7-48.3000112.9V122 Q123 W124V122-F131 WeakPolarHBondContact O-CE2 3.38Å; Q123-F131 VanDerWaalsContact C-CD2 3.43Å; Q123-F131 WeakPolarHBondContact O-CD2 3.46Å; Q123-F131 PolarHBondContact O-N 3.47Å; W124-F131 VanDerWaalsContact C-CZ 3.47Å
132H96.9Very high95.6Very high48 Ų4878.4 Ų78.422%0.22241%0.407CS..SBendtrans-103.6137.1-176.8-165-85.9000111.4L134 F135 S144H132-L134 VanDerWaalsContact C-N 3.34Å; H132-L134 PolarHBondContact ND1-N 3.36Å; H132-L134 PolarHBondContact O-N 2.96Å; H132-F135 WeakPolarHBondContact O-CB 3.33Å; H132-F135 PolarHBondContact O-N 3.34Å; H132-F135 VanDerWaalsContact O-N 3.15Å; H132-S144 PolarHBondContact NE2-OG 3.15Å
133F96.5Very high95.8Very high144 Ų14477.8 Ų77.863%0.63239%0.394SS*.THydrogen-bonded Turntrans-67.6-31.2-177.368.6-79.4000113.4F135F133-F135 VanDerWaalsContact C-N 3.27Å; F133-F135 PolarHBondContact O-N 2.7Å
134L96.9Very high95.9Very high36 Ų3677.2 Ų77.219%0.18839%0.394CS..THydrogen-bonded Turntrans-84.913.7174-56.8175.1000114.1H132 Y136 T137 Q140H132-L134 VanDerWaalsContact C-N 3.34Å; H132-L134 PolarHBondContact ND1-N 3.36Å; H132-L134 PolarHBondContact O-N 2.96Å; L134-Y136 VanDerWaalsContact C-N 3.29Å; L134-Y136 PolarHBondContact O-N 3.02Å; L134-T137 HydrophobicContact CB-CG2 4.07Å; L134-T137 HydrophobicContact CD2-CG2 4.26Å; L134-T137 WeakPolarHBondContact O-CB 3.48Å; L134-T137 WeakPolarHBondContact O-CG2 3.45Å; L134-T137 PolarHBondContact O-N 3.24Å; L134-T137 VanDerWaalsContact O-N 3.1Å; L134-T137 PolarHBondContact O-OG1 3.44Å; L134-Q140 HydrophobicContact CB-CB 4.43Å
135F96.6Very high96Very high39 Ų3972 Ų7217%0.17138%0.376CS..G310 helixtrans-52.2-45.7-178.8170.4-95.8000113Q123 W124 P130 H132 F133 T137 G138Q123-F135 HydrophobicContact CB-CD2 3.91Å; Q123-F135 HydrophobicContact CB-CE2 3.66Å; Q123-F135 HydrophobicContact CG-CE2 4.44Å; W124-F135 AromaticContact CE3-CE2 3.71Å; W124-F135 HydrophobicContact CE3-CE2 3.71Å; W124-F135 AromaticContact CE3-CZ 3.65Å; W124-F135 HydrophobicContact CE3-CZ 3.65Å; W124-F135 AromaticContact CZ3-CE2 3.78Å; W124-F135 HydrophobicContact CZ3-CE2 3.78Å; W124-F135 AromaticContact CZ3-CZ 3.64Å; W124-F135 HydrophobicContact CZ3-CZ 3.64Å; P130-F135 HydrophobicContact CB-CB 3.56Å; P130-F135 HydrophobicContact CB-CD1 3.66Å; P130-F135 HydrophobicContact CB-CD2 3.93Å; P130-F135 HydrophobicContact CB-CE1 4.3Å; P130-F135 HydrophobicContact CB-CG 3.44Å; P130-F135 VanDerWaalsContact CB-CG 3.44Å; P130-F135 HydrophobicContact CG-CB 4.19Å; P130-F135 HydrophobicContact CG-CD1 3.36Å; P130-F135 HydrophobicContact CG-CD2 4.41Å; P130-F135 HydrophobicContact CG-CE1 3.73Å; P130-F135 HydrophobicContact CG-CG 3.75Å; P130-F135 HydrophobicContact CG-CZ 4.39Å; H132-F135 WeakPolarHBondContact O-CB 3.33Å; H132-F135 PolarHBondContact O-N 3.34Å; H132-F135 VanDerWaalsContact O-N 3.15Å; F133-F135 VanDerWaalsContact C-N 3.27Å; F133-F135 PolarHBondContact O-N 2.7Å; F135-T137 PolarHBondContact O-N 2.98Å; F135-G138 PolarHBondContact O-N 2.93Å
136Y96.6Very high96.1Very high185 Ų18572.8 Ų72.873%0.72538%0.376SS*.G310 helixtrans-70.4-2.8-176.9-64.2-71.1000115P130 L134 G138P130-Y136 HydrophobicContact CG-CE2 4.08Å; L134-Y136 VanDerWaalsContact C-N 3.29Å; L134-Y136 PolarHBondContact O-N 3.02Å; Y136-G138 VanDerWaalsContact C-N 3.26Å
137T95.2Very high96.2Very high63 Ų6370.8 Ų70.839%0.38735%0.354SS..G310 helixtrans-76-16.3169.867.10000112.7L134 F135 K139 Y143L134-T137 HydrophobicContact CB-CG2 4.07Å; L134-T137 HydrophobicContact CD2-CG2 4.26Å; L134-T137 WeakPolarHBondContact O-CB 3.48Å; L134-T137 WeakPolarHBondContact O-CG2 3.45Å; L134-T137 PolarHBondContact O-N 3.24Å; L134-T137 VanDerWaalsContact O-N 3.1Å; L134-T137 PolarHBondContact O-OG1 3.44Å; F135-T137 PolarHBondContact O-N 2.98Å; T137-K139 PolarHBondContact O-N 3.46Å; T137-K139 PolarHBondContact OG1-N 3.23Å; T137-Y143 HydrophobicContact CG2-CD2 4.13Å; T137-Y143 WeakPolarHBondContact OG1-CD2 3.37Å
138G93.3Very high96.2Very high53 Ų5368.9 Ų68.955%0.54634%0.344SS..SBendtrans78.6-21.5-174.300000114.9F135 Y136F135-G138 PolarHBondContact O-N 2.93Å; Y136-G138 VanDerWaalsContact C-N 3.26Å
139K95.2Very high96.2Very high56 Ų5666.6 Ų66.624%0.24332%0.32CS..  trans-125.360.5178.7-64.5178.2175.5169.80110.7T137 A141 Y142 Y143 E195 D201T137-K139 PolarHBondContact O-N 3.46Å; T137-K139 PolarHBondContact OG1-N 3.23Å; K139-A141 VanDerWaalsContact C-N 3.32Å; K139-A141 PolarHBondContact O-N 2.91Å; K139-Y142 PolarHBondContact O-N 3.04Å; K139-Y143 HydrophobicContact CB-CD2 3.91Å; K139-Y143 HydrophobicContact CB-CE2 3.88Å; K139-Y143 WeakPolarHBondContact O-CD2 3.38Å; K139-Y143 PolarHBondContact O-N 2.88Å; K139-E195 VanDerWaalsContact CA-OE2 3.3Å; K139-E195 WeakPolarHBondContact CA-OE2 3.35Å; K139-D201 IonicContact NZ-OD2 3.63Å; K139-D201 PolarHBondContact NZ-OD2 2.87Å
140Q95.7Very high96.3Very high34 Ų3463.1 Ų63.116%0.15931%0.308CS..Hα-helixtrans-62.9-38-169.367.6-179.817.900112.6Q123 L134 S144 E195Q123-Q140 VanDerWaalsContact NE2-NE2 3.15Å; L134-Q140 HydrophobicContact CB-CB 4.43Å; Q140-S144 WeakPolarHBondContact O-CB 3.26Å; Q140-S144 PolarHBondContact O-N 3.28Å; Q140-E195 PolarHBondContact N-OE1 3.3Å; Q140-E195 PolarHBondContact N-OE2 2.92Å
141A96.3Very high96.2Very high28 Ų2863.2 Ų63.223%0.23131%0.313CS..Hα-helixtrans-72.9-41.7-177.100000110.9K139 S144 L145 L193 E195K139-A141 VanDerWaalsContact C-N 3.32Å; K139-A141 PolarHBondContact O-N 2.91Å; A141-S144 PolarHBondContact O-N 2.96Å; A141-L145 WeakPolarHBondContact O-CB 3.45Å; A141-L145 PolarHBondContact O-N 3.38Å; A141-L193 HydrophobicContact CB-CB 4.25Å; A141-L193 HydrophobicContact CB-CD2 4.08Å; A141-E195 VanDerWaalsContact CB-CD 3.42Å; A141-E195 HydrophobicContact CB-CG 3.81Å; A141-E195 PolarHBondContact N-OE1 3.18Å; A141-E195 PolarHBondContact N-OE2 3.06Å; A141-E195 VanDerWaalsContact N-OE2 3.14Å
142Y96.8Very high96.1Very high6 Ų659.3 Ų59.32%0.02429%0.294CS..Hα-helixtrans-61.3-51.5174.9171.7-101.9000112.1K139 S144 L145 M146 M189 L193 E195 I197 D201 F205K139-Y142 PolarHBondContact O-N 3.04Å; Y142-S144 VanDerWaalsContact C-N 3.3Å; Y142-S144 PolarHBondContact O-N 2.94Å; Y142-L145 PolarHBondContact O-N 2.81Å; Y142-M146 HydrophobicContact CD1-CG 4.37Å; Y142-M146 HydrophobicContact CD2-CG 4.36Å; Y142-M146 HydrophobicContact CE1-CG 3.89Å; Y142-M146 HydrophobicContact CE2-CG 3.86Å; Y142-M146 HydrophobicContact CE2-SD 4.17Å; Y142-M146 WeakPolarHBondContact O-CG 3.41Å; Y142-M146 PolarHBondContact O-N 3.45Å; Y142-M189 HydrophobicContact CD2-CE 4.27Å; Y142-M189 HydrophobicContact CE2-CE 4.44Å; Y142-L193 HydrophobicContact CD2-CD1 4.49Å; Y142-E195 PolarHBondContact N-OE2 2.95Å; Y142-E195 VanDerWaalsContact N-OE2 3.13Å; Y142-I197 HydrophobicContact CD2-CG2 4.49Å; Y142-D201 HydrophobicContact CE1-CB 4.08Å; Y142-D201 HydrophobicContact CE2-CB 3.99Å; Y142-D201 WeakPolarHBondContact OH-CA 3.5Å; Y142-D201 PolarHBondContact OH-O 2.68Å; Y142-F205 HydrophobicContact CE2-CB 4.45Å
143Y97.3Very high96Very high92 Ų9257 Ų5736%0.36128%0.283SS..Hα-helixtrans-70.4-27.7-178.8-70-62.1000113.1T137 K139 M146 H147T137-Y143 HydrophobicContact CG2-CD2 4.13Å; T137-Y143 WeakPolarHBondContact OG1-CD2 3.37Å; K139-Y143 HydrophobicContact CB-CD2 3.91Å; K139-Y143 HydrophobicContact CB-CE2 3.88Å; K139-Y143 WeakPolarHBondContact O-CD2 3.38Å; K139-Y143 PolarHBondContact O-N 2.88Å; Y143-M146 PolarHBondContact O-N 3.14Å; Y143-H147 VanDerWaalsContact O-CB 3.25Å; Y143-H147 WeakPolarHBondContact O-CB 3.48Å; Y143-H147 PolarHBondContact O-N 2.81Å
144S97Very high96Very high25 Ų2553 Ų5318%0.17527%0.268CS..Hα-helixtrans-62.7-48.1170.8-171.10000110.7H132 Q140 A141 Y142 M146 H147 D148H132-S144 PolarHBondContact NE2-OG 3.15Å; Q140-S144 WeakPolarHBondContact O-CB 3.26Å; Q140-S144 PolarHBondContact O-N 3.28Å; A141-S144 PolarHBondContact O-N 2.96Å; Y142-S144 VanDerWaalsContact C-N 3.3Å; Y142-S144 PolarHBondContact O-N 2.94Å; S144-M146 VanDerWaalsContact C-N 3.34Å; S144-M146 PolarHBondContact O-N 3.32Å; S144-H147 WeakPolarHBondContact O-CB 3.45Å; S144-H147 PolarHBondContact O-N 2.8Å; S144-D148 PolarHBondContact O-N 2.85Å
145L96.2Very high95.8Very high20 Ų2057.7 Ų57.711%0.10529%0.287CS..Hα-helixtrans-61.3-40.4175172.7150.5000112.5A141 Y142 D148 L149 M189 L193 F205A141-L145 WeakPolarHBondContact O-CB 3.45Å; A141-L145 PolarHBondContact O-N 3.38Å; Y142-L145 PolarHBondContact O-N 2.81Å; L145-D148 PolarHBondContact O-N 2.99Å; L145-L149 VanDerWaalsContact O-CB 3.26Å; L145-L149 WeakPolarHBondContact O-CB 3.5Å; L145-L149 PolarHBondContact O-N 3.36Å; L145-M189 HydrophobicContact CD1-CE 4.27Å; L145-M189 HydrophobicContact CD2-CE 3.83Å; L145-L193 HydrophobicContact CD1-CD2 4.14Å; L145-F205 HydrophobicContact CD2-CD2 3.4Å; L145-F205 HydrophobicContact CD2-CE2 3.35Å; L145-F205 HydrophobicContact CD2-CG 4.43Å; L145-F205 HydrophobicContact CD2-CZ 4.35Å; L145-F205 HydrophobicContact CG-CE2 4.32Å
146M97.2Very high95.6Very high28 Ų2855.9 Ų55.914%0.13828%0.279CS..Hα-helixtrans-66.3-38.8175.1-69.3-65.5-77.100112.5Y142 Y143 S144 Y150 H204 F205 L208Y142-M146 HydrophobicContact CD1-CG 4.37Å; Y142-M146 HydrophobicContact CD2-CG 4.36Å; Y142-M146 HydrophobicContact CE1-CG 3.89Å; Y142-M146 HydrophobicContact CE2-CG 3.86Å; Y142-M146 HydrophobicContact CE2-SD 4.17Å; Y142-M146 WeakPolarHBondContact O-CG 3.41Å; Y142-M146 PolarHBondContact O-N 3.45Å; Y143-M146 PolarHBondContact O-N 3.14Å; S144-M146 VanDerWaalsContact C-N 3.34Å; S144-M146 PolarHBondContact O-N 3.32Å; M146-Y150 WeakPolarHBondContact O-CB 3.45Å; M146-Y150 PolarHBondContact O-N 3.09Å; M146-H204 HydrophobicContact CE-CB 4.39Å; M146-F205 HydrophobicContact SD-CB 3.92Å; M146-F205 HydrophobicContact SD-CD2 3.99Å; M146-F205 HydrophobicContact SD-CG 4.47Å; M146-L208 HydrophobicContact CE-CD1 3.32Å; M146-L208 HydrophobicContact CE-CG 4.22Å; M146-L208 HydrophobicContact SD-CD1 4.2Å
147H97.2Very high95.4Very high109 Ų10949.7 Ų49.751%0.50526%0.257SS..Hα-helixtrans-64.3-46.4175.9179.974000111.1Y143 S144 Y150 G151Y143-H147 VanDerWaalsContact O-CB 3.25Å; Y143-H147 WeakPolarHBondContact O-CB 3.48Å; Y143-H147 PolarHBondContact O-N 2.81Å; S144-H147 WeakPolarHBondContact O-CB 3.45Å; S144-H147 PolarHBondContact O-N 2.8Å; H147-Y150 PolarHBondContact O-N 3.24Å; H147-G151 PolarHBondContact O-N 2.66Å
148D96.1Very high95.3Very high80 Ų8053.3 Ų53.343%0.42827%0.267SS..Hα-helixtrans-62.2-44176.9-74.9-11.8000111.7S144 L145 G151 R152S144-D148 PolarHBondContact O-N 2.85Å; L145-D148 PolarHBondContact O-N 2.99Å; D148-G151 PolarHBondContact O-N 3.13Å; D148-R152 WeakPolarHBondContact O-CG 3.27Å; D148-R152 PolarHBondContact O-N 2.76Å
149L95.6Very high95.2Very high0 Ų053.7 Ų53.70%025%0.254CS..Hα-helixtrans-59.5-51.9176.2-169.9173.1000110.4L145 G151 R152 V153 F205 L208 M209 F224L145-L149 VanDerWaalsContact O-CB 3.26Å; L145-L149 WeakPolarHBondContact O-CB 3.5Å; L145-L149 PolarHBondContact O-N 3.36Å; L149-G151 VanDerWaalsContact C-N 3.26Å; L149-G151 PolarHBondContact O-N 2.82Å; L149-R152 WeakPolarHBondContact O-CA 3.3Å; L149-R152 WeakPolarHBondContact O-CB 3.42Å; L149-R152 PolarHBondContact O-N 2.91Å; L149-V153 HydrophobicContact CD2-CG2 3.9Å; L149-V153 PolarHBondContact O-N 2.78Å; L149-F205 HydrophobicContact CD1-CD2 3.7Å; L149-F205 HydrophobicContact CD1-CE2 3.67Å; L149-L208 HydrophobicContact CD1-CB 3.93Å; L149-L208 HydrophobicContact CD2-CB 3.57Å; L149-L208 HydrophobicContact CD2-CD1 4.2Å; L149-L208 HydrophobicContact CD2-CG 4.5Å; L149-L208 HydrophobicContact CG-CB 4.44Å; L149-M209 HydrophobicContact CD1-CG 3.78Å; L149-M209 HydrophobicContact CD1-SD 3.47Å; L149-M209 WeakPolarHBondContact CD1-SD 3.47Å; L149-M209 HydrophobicContact CG-SD 3.96Å; L149-F224 HydrophobicContact CB-CE1 4.32Å; L149-F224 HydrophobicContact CB-CZ 4.32Å; L149-F224 HydrophobicContact CG-CE1 4.17Å
150Y96.5Very high94.9Very high110 Ų11051.8 Ų51.843%0.43125%0.246SC..Hα-helixtrans-61-37.8177.8-170.7-99.8000111.8M146 H147 R152 V153 L154M146-Y150 WeakPolarHBondContact O-CB 3.45Å; M146-Y150 PolarHBondContact O-N 3.09Å; H147-Y150 PolarHBondContact O-N 3.24Å; Y150-R152 VanDerWaalsContact C-N 3.31Å; Y150-R152 PolarHBondContact O-N 3.31Å; Y150-V153 WeakPolarHBondContact O-CB 3.5Å; Y150-V153 PolarHBondContact O-N 2.85Å; Y150-V153 VanDerWaalsContact O-N 3.16Å; Y150-L154 HydrophobicContact CD1-CD1 3.95Å; Y150-L154 HydrophobicContact CD1-CG 4.2Å; Y150-L154 HydrophobicContact CE1-CD1 3.65Å; Y150-L154 HydrophobicContact CE1-CD2 4.17Å; Y150-L154 HydrophobicContact CE1-CG 3.91Å; Y150-L154 WeakPolarHBondContact O-CG 3.33Å; Y150-L154 PolarHBondContact O-N 2.81Å
151G95.8Very high94.8Very high24 Ų2454.5 Ų54.525%0.24726%0.262CS..Hα-helixtrans-58.6-40.3172.300000112.8H147 D148 L149 L154 K155H147-G151 PolarHBondContact O-N 2.66Å; D148-G151 PolarHBondContact O-N 3.13Å; L149-G151 VanDerWaalsContact C-N 3.26Å; L149-G151 PolarHBondContact O-N 2.82Å; G151-L154 PolarHBondContact O-N 3.48Å; G151-K155 VanDerWaalsContact O-CG 3.31Å; G151-K155 WeakPolarHBondContact O-CG 3.48Å; G151-K155 PolarHBondContact O-N 3.41Å
152R94.3Very high94.5Very high65 Ų6558.6 Ų58.625%0.24528%0.276CS..Hα-helixtrans-66.7-39.5173.7-67.9171.1-166.9-106.18.3112.1D148 L149 Y150 L154 K155 V156 L212 E221 F224D148-R152 WeakPolarHBondContact O-CG 3.27Å; D148-R152 PolarHBondContact O-N 2.76Å; L149-R152 WeakPolarHBondContact O-CA 3.3Å; L149-R152 WeakPolarHBondContact O-CB 3.42Å; L149-R152 PolarHBondContact O-N 2.91Å; Y150-R152 VanDerWaalsContact C-N 3.31Å; Y150-R152 PolarHBondContact O-N 3.31Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.03Å; R152-K155 WeakPolarHBondContact O-CB 3.35Å; R152-K155 PolarHBondContact O-N 2.88Å; R152-K155 VanDerWaalsContact O-N 3.15Å; R152-V156 WeakPolarHBondContact O-CG2 3.49Å; R152-V156 PolarHBondContact O-N 2.91Å; R152-L212 HydrophobicContact CB-CD1 4.11Å; R152-E221 HydrophobicContact CB-CG 4.17Å; R152-E221 VanDerWaalsContact CD-OE2 3.3Å; R152-E221 WeakPolarHBondContact CD-OE2 3.37Å; R152-E221 HydrophobicContact CG-CG 4.47Å; R152-E221 IonicContact CZ-OE2 3.16Å; R152-E221 IonicContact NE-OE2 3.05Å; R152-E221 IonicContact NH1-OE2 3.99Å; R152-E221 PolarHBondContact NH1-OE2 3.46Å; R152-F224 VanDerWaalsContact CZ-CB 3.49Å
153V94.6Very high94.1Very high1 Ų159.8 Ų59.81%0.00628%0.283CS..Hα-helixtrans-56.5-49.8174.1172.40000110.4L149 Y150 K155 V156 E157 L212 M215L149-V153 HydrophobicContact CD2-CG2 3.9Å; L149-V153 PolarHBondContact O-N 2.78Å; Y150-V153 WeakPolarHBondContact O-CB 3.5Å; Y150-V153 PolarHBondContact O-N 2.85Å; Y150-V153 VanDerWaalsContact O-N 3.16Å; V153-K155 VanDerWaalsContact C-N 3.33Å; V153-K155 PolarHBondContact O-N 3.23Å; V153-V156 PolarHBondContact O-N 3.24Å; V153-E157 WeakPolarHBondContact O-CG 3.26Å; V153-E157 PolarHBondContact O-N 3.28Å; V153-L212 HydrophobicContact CG2-CB 4.24Å; V153-L212 HydrophobicContact CG2-CD1 4.13Å; V153-M215 HydrophobicContact CB-CE 4.07Å; V153-M215 HydrophobicContact CG1-CE 3.8Å; V153-M215 HydrophobicContact CG1-SD 3.98Å; V153-M215 HydrophobicContact CG2-CE 4.07Å
154L95.6Very high93.7Very high60 Ų6061.9 Ų61.931%0.31429%0.29SS..Hα-helixtrans-63.2-35.9176.9-66.1178000113.1Y150 G151 R152 V156 E157 K158Y150-L154 HydrophobicContact CD1-CD1 3.95Å; Y150-L154 HydrophobicContact CD1-CG 4.2Å; Y150-L154 HydrophobicContact CE1-CD1 3.65Å; Y150-L154 HydrophobicContact CE1-CD2 4.17Å; Y150-L154 HydrophobicContact CE1-CG 3.91Å; Y150-L154 WeakPolarHBondContact O-CG 3.33Å; Y150-L154 PolarHBondContact O-N 2.81Å; G151-L154 PolarHBondContact O-N 3.48Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.03Å; L154-V156 VanDerWaalsContact C-N 3.34Å; L154-E157 WeakPolarHBondContact CD2-OE2 3.26Å; L154-E157 PolarHBondContact O-N 2.96Å; L154-K158 WeakPolarHBondContact O-CB 3.48Å; L154-K158 VanDerWaalsContact O-CG 3.3Å; L154-K158 WeakPolarHBondContact O-CG 3.45Å; L154-K158 PolarHBondContact O-N 3.34Å
155K93.9Very high93.5Very high134 Ų13465 Ų6558%0.58332%0.318SS*.Hα-helixtrans-62.5-42.9175.5-75.8172.6-174.4176.90111.2G151 R152 V153 K158 H159G151-K155 VanDerWaalsContact O-CG 3.31Å; G151-K155 WeakPolarHBondContact O-CG 3.48Å; G151-K155 PolarHBondContact O-N 3.41Å; R152-K155 WeakPolarHBondContact O-CB 3.35Å; R152-K155 PolarHBondContact O-N 2.88Å; R152-K155 VanDerWaalsContact O-N 3.15Å; V153-K155 VanDerWaalsContact C-N 3.33Å; V153-K155 PolarHBondContact O-N 3.23Å; K155-K158 PolarHBondContact O-N 3.33Å; K155-H159 WeakPolarHBondContact O-CB 3.48Å; K155-H159 PolarHBondContact O-N 3.36Å
156V91.9Very high93.3Very high1 Ų171.2 Ų71.21%0.00634%0.344CS..Hα-helixtrans-65.9-44.7176.7171.40000110.6R152 V153 L154 K158 H159 Q160 M215 E221R152-V156 WeakPolarHBondContact O-CG2 3.49Å; R152-V156 PolarHBondContact O-N 2.91Å; V153-V156 PolarHBondContact O-N 3.24Å; L154-V156 VanDerWaalsContact C-N 3.34Å; V156-K158 PolarHBondContact O-N 3.35Å; V156-H159 PolarHBondContact O-N 3.07Å; V156-Q160 VanDerWaalsContact O-CG 3.31Å; V156-Q160 WeakPolarHBondContact O-CG 3.22Å; V156-Q160 PolarHBondContact O-N 3.02Å; V156-M215 HydrophobicContact CB-CE 3.79Å; V156-M215 HydrophobicContact CG1-CB 4.15Å; V156-M215 HydrophobicContact CG1-CE 3.72Å; V156-M215 HydrophobicContact CG1-SD 4.15Å; V156-M215 HydrophobicContact CG2-CE 4.36Å; V156-E221 HydrophobicContact CG2-CG 3.99Å
157E92.4Very high92.8Very high55 Ų5573.1 Ų73.126%0.25737%0.37SS..Hα-helixtrans-58.1-48.4175.3-71.1173.2178.400111.3V153 L154 H159 Q160 D161 R211 M215V153-E157 WeakPolarHBondContact O-CG 3.26Å; V153-E157 PolarHBondContact O-N 3.28Å; L154-E157 WeakPolarHBondContact CD2-OE2 3.26Å; L154-E157 PolarHBondContact O-N 2.96Å; E157-H159 VanDerWaalsContact C-N 3.31Å; E157-H159 PolarHBondContact O-N 3.12Å; E157-Q160 WeakPolarHBondContact O-CB 3.39Å; E157-Q160 PolarHBondContact O-N 3.2Å; E157-D161 PolarHBondContact O-N 3.26Å; E157-R211 IonicContact OE1-NH2 3.01Å; E157-R211 PolarHBondContact OE1-NH2 3.28Å; E157-M215 HydrophobicContact CG-SD 4.04Å
158K93.1Very high92.1Very high139 Ų13973.7 Ų73.760%0.60438%0.377SS*.Hα-helixtrans-59.9-39.4175.5-74.8176.4-179.3-178.40112.8L154 K155 V156 D161 Q162L154-K158 WeakPolarHBondContact O-CB 3.48Å; L154-K158 VanDerWaalsContact O-CG 3.3Å; L154-K158 WeakPolarHBondContact O-CG 3.45Å; L154-K158 PolarHBondContact O-N 3.34Å; K155-K158 PolarHBondContact O-N 3.33Å; V156-K158 PolarHBondContact O-N 3.35Å; K158-D161 PolarHBondContact O-N 3.29Å; K158-Q162 VanDerWaalsContact O-CG 3.3Å; K158-Q162 WeakPolarHBondContact O-CG 3.33Å; K158-Q162 PolarHBondContact O-N 3.25Å
159H90.9Very high91.1Very high60 Ų6073.4 Ų73.428%0.27837%0.371SS..Hα-helixtrans-66.1-41.3177.6-175.470.6000111.5K155 V156 E157 D161 Q162 L163 L220K155-H159 WeakPolarHBondContact O-CB 3.48Å; K155-H159 PolarHBondContact O-N 3.36Å; V156-H159 PolarHBondContact O-N 3.07Å; E157-H159 VanDerWaalsContact C-N 3.31Å; E157-H159 PolarHBondContact O-N 3.12Å; H159-D161 PolarHBondContact O-N 3.36Å; H159-Q162 PolarHBondContact O-N 2.98Å; H159-L163 WeakPolarHBondContact O-CG 3Å; H159-L163 PolarHBondContact O-N 3.42Å; H159-L220 HydrophobicContact CB-CD1 4.2Å
160Q89.3Confident90Very high16 Ų1675.7 Ų75.78%0.07539%0.387CS..Hα-helixtrans-59.8-45.9174.1-68.9167.918.800111.4V156 E157 Q162 L163 R164 F169 P216V156-Q160 VanDerWaalsContact O-CG 3.31Å; V156-Q160 WeakPolarHBondContact O-CG 3.22Å; V156-Q160 PolarHBondContact O-N 3.02Å; E157-Q160 WeakPolarHBondContact O-CB 3.39Å; E157-Q160 PolarHBondContact O-N 3.2Å; Q160-Q162 VanDerWaalsContact C-N 3.32Å; Q160-Q162 PolarHBondContact O-N 3Å; Q160-L163 PolarHBondContact O-N 2.95Å; Q160-R164 WeakPolarHBondContact O-CG 3.33Å; Q160-R164 PolarHBondContact O-N 2.95Å; Q160-F169 HydrophobicContact CB-CE2 4.15Å; Q160-F169 HydrophobicContact CG-CE2 4.29Å; Q160-P216 HydrophobicContact CG-CG 4.29Å; Q160-P216 VanDerWaalsContact NE2-CD 3.32Å; Q160-P216 PolarHBondContact NE2-O 3.38Å
161D91.8Very high88.6Confident92 Ų9277.4 Ų77.449%0.49241%0.408SS..Hα-helixtrans-62.1-40.2178.4-70.3-22.5000111.8E157 K158 H159 L163 R164 A165E157-D161 PolarHBondContact O-N 3.26Å; K158-D161 PolarHBondContact O-N 3.29Å; H159-D161 PolarHBondContact O-N 3.36Å; D161-L163 PolarHBondContact O-N 3.03Å; D161-R164 PolarHBondContact O-N 3.43Å; D161-R164 IonicContact OD1-NH1 4Å; D161-A165 WeakPolarHBondContact O-CB 3.4Å; D161-A165 PolarHBondContact O-N 3.09Å
162Q90.9Very high87.4Confident113 Ų11384.3 Ų84.353%0.52843%0.434SS..Hα-helixtrans-63.1-39.5174-73.3175.26.800112.8K158 H159 Q160 K166K158-Q162 VanDerWaalsContact O-CG 3.3Å; K158-Q162 WeakPolarHBondContact O-CG 3.33Å; K158-Q162 PolarHBondContact O-N 3.25Å; H159-Q162 PolarHBondContact O-N 2.98Å; Q160-Q162 VanDerWaalsContact C-N 3.32Å; Q160-Q162 PolarHBondContact O-N 3Å; Q162-K166 WeakPolarHBondContact O-CG 3.32Å; Q162-K166 PolarHBondContact O-N 3.27Å
163L88.9Confident86.3Confident31 Ų3183.7 Ų83.716%0.16244%0.439CS..Hα-helixtrans-67.9-40.6176.3-71.6174.7000111.7H159 Q160 D161 K166 G167 L168 F169H159-L163 WeakPolarHBondContact O-CG 3Å; H159-L163 PolarHBondContact O-N 3.42Å; Q160-L163 PolarHBondContact O-N 2.95Å; D161-L163 PolarHBondContact O-N 3.03Å; L163-K166 PolarHBondContact O-N 3Å; L163-G167 PolarHBondContact O-N 3.45Å; L163-G167 VanDerWaalsContact O-N 3.16Å; L163-L168 PolarHBondContact O-N 3.28Å; L163-F169 HydrophobicContact CB-CD2 4.36Å
164R88.8Confident85.1Confident137 Ų13791.9 Ų91.952%0.51747%0.474SS..Hα-helixtrans-62.7-45.2175.1-72.2175.9-178.2173.6-0.2111.6Q160 D161 K166 G167 F169Q160-R164 WeakPolarHBondContact O-CG 3.33Å; Q160-R164 PolarHBondContact O-N 2.95Å; D161-R164 PolarHBondContact O-N 3.43Å; D161-R164 IonicContact OD1-NH1 4Å; R164-K166 PolarHBondContact O-N 3.26Å; R164-G167 PolarHBondContact O-N 3.07Å; R164-F169 HydrophobicContact CG-CB 4.26Å; R164-F169 HydrophobicContact CG-CD2 3.51Å; R164-F169 HydrophobicContact CG-CE2 4.1Å; R164-F169 HydrophobicContact CG-CG 4.04Å
165A91.7Very high84.2Confident91 Ų9196.5 Ų96.575%0.75249%0.494SS*.Hα-helixtrans-59.9-31.417700000112.6D161D161-A165 WeakPolarHBondContact O-CB 3.4Å; D161-A165 PolarHBondContact O-N 3.09Å
166K91.8Very high83.6Confident150 Ų15090.8 Ų90.865%0.65247%0.47SS*.THydrogen-bonded Turntrans-85-5175.6-68.8176.1-179.4-179.50114Q162 L163 R164 L168Q162-K166 WeakPolarHBondContact O-CG 3.32Å; Q162-K166 PolarHBondContact O-N 3.27Å; L163-K166 PolarHBondContact O-N 3Å; R164-K166 PolarHBondContact O-N 3.26Å; K166-L168 HydrophobicContact CB-CD1 4.24Å; K166-L168 HydrophobicContact CB-CG 4.31Å; K166-L168 PolarHBondContact O-N 3.31Å
167G86.8Confident83.1Confident67 Ų6795 Ų9569%0.69150%0.504SS*.THydrogen-bonded Turntrans68.712.3-17400000114.7L163 R164L163-G167 PolarHBondContact O-N 3.45Å; L163-G167 VanDerWaalsContact O-N 3.16Å; R164-G167 PolarHBondContact O-N 3.07Å
168L82.4Confident82.6Confident122 Ų12294.7 Ų94.764%0.63951%0.505SS*.  trans-101.929.3-176.3-66.2173000112L163 K166 P170L163-L168 PolarHBondContact O-N 3.28Å; K166-L168 HydrophobicContact CB-CD1 4.24Å; K166-L168 HydrophobicContact CB-CG 4.31Å; K166-L168 PolarHBondContact O-N 3.31Å; L168-P170 WeakPolarHBondContact O-CD 3.39Å
169F76.3Confident82.1Confident73 Ų7391 Ų9132%0.3251%0.506SS..  trans-68.2123.5-178.1-164.3-100000109.8Q160 L163 R164 T171 P216Q160-F169 HydrophobicContact CB-CE2 4.15Å; Q160-F169 HydrophobicContact CG-CE2 4.29Å; L163-F169 HydrophobicContact CB-CD2 4.36Å; R164-F169 HydrophobicContact CG-CB 4.26Å; R164-F169 HydrophobicContact CG-CD2 3.51Å; R164-F169 HydrophobicContact CG-CE2 4.1Å; R164-F169 HydrophobicContact CG-CG 4.04Å; F169-T171 PolarHBondContact O-N 2.94Å; F169-P216 HydrophobicContact CZ-CB 4.04Å; F169-P216 HydrophobicContact CZ-CG 3.88Å
170P71.6Confident82Confident49 Ų4992.2 Ų92.232%0.31852%0.519SS..  trans-61.7127.1-176.9-2030.4000111L168 E172L168-P170 WeakPolarHBondContact O-CD 3.39Å; P170-E172 VanDerWaalsContact C-N 3.27Å
171T68.3Low82.1Confident145 Ų14592.4 Ų92.489%0.8952%0.522SS*.SBendtrans-67.1-32.6172.8-390000111.3F169F169-T171 PolarHBondContact O-N 2.94Å
172E69.5Low82.2Confident169 Ų16991.8 Ų91.879%0.7951%0.513SS*.SBendtrans-120105.3172.7-66.2-171.4176.400109.9P170 K174P170-E172 VanDerWaalsContact C-N 3.27Å; E172-K174 PolarHBondContact O-N 3.2Å
173P70.9Confident82.5Confident52 Ų5288.2 Ų88.234%0.33850%0.495SS..  trans-70125.4178.127.3-32000109.9Q175 P216P173-Q175 PolarHBondContact O-N 3.48Å; P173-P216 HydrophobicContact CB-CB 3.95Å; P173-P216 HydrophobicContact CG-CB 4.47Å
174K70.1Confident82.8Confident173 Ų17387.3 Ų87.375%0.75249%0.49SS*.  trans-62.7105.3169.8-68.3-177.4-179.7179.60109.2E172E172-K174 PolarHBondContact O-N 3.2Å
175Q76.1Confident83.2Confident158 Ų15883.2 Ų83.274%0.73848%0.481SS*.  trans-81.2152.7174-67.3-176.94.600110.7P173 A177P173-Q175 PolarHBondContact O-N 3.48Å; Q175-A177 PolarHBondContact O-N 3.05Å
176I81.1Confident83.4Confident14 Ų1482.2 Ų82.27%0.07246%0.459CS..  trans-68.7127174.4-63.9162.1000108.9L178 L213 C218 Q222 V225I176-L178 HydrophobicContact CB-CD2 4.3Å; I176-L178 HydrophobicContact CG2-CD2 3.69Å; I176-L178 HydrophobicContact CG2-CG 4.31Å; I176-L178 PolarHBondContact O-N 3.29Å; I176-L213 HydrophobicContact CD1-CD2 3.82Å; I176-C218 HydrophobicContact CD1-CB 4.11Å; I176-C218 WeakPolarHBondContact CD1-O 3.32Å; I176-Q222 HydrophobicContact CD1-CB 4.28Å; I176-Q222 HydrophobicContact CG1-CB 4.2Å; I176-Q222 HydrophobicContact CG1-CG 4.38Å; I176-Q222 HydrophobicContact CG2-CG 3.99Å; I176-V225 HydrophobicContact CD1-CB 4.36Å; I176-V225 HydrophobicContact CD1-CG2 4.1Å
177A82.5Confident83.6Confident88 Ų8882.4 Ų82.473%0.72746%0.462SS*.  trans-74.7103.5169.900000109.5Q175Q175-A177 PolarHBondContact O-N 3.05Å
178L81.6Confident84Confident50 Ų5081.4 Ų81.426%0.26244%0.44SS..  trans-83.8-18.3-173.6-64.4169.2000113.7I176 S181 L213 V225I176-L178 HydrophobicContact CB-CD2 4.3Å; I176-L178 HydrophobicContact CG2-CD2 3.69Å; I176-L178 HydrophobicContact CG2-CG 4.31Å; I176-L178 PolarHBondContact O-N 3.29Å; L178-S181 WeakPolarHBondContact O-CB 3.48Å; L178-S181 PolarHBondContact O-OG 3.08Å; L178-L213 HydrophobicContact CD1-CD1 3.98Å; L178-L213 HydrophobicContact CD1-CD2 4.46Å; L178-L213 HydrophobicContact CD2-CD2 4.25Å; L178-V225 HydrophobicContact CD2-CG1 4.08Å
179G83.3Confident84.6Confident62 Ų6275.9 Ų75.964%0.63941%0.411SS*.  trans55.4-161.6-178.100000113.7S181G179-S181 PolarHBondContact O-N 3.4Å
180P88.3Confident85.5Confident85 Ų8574.7 Ų74.755%0.55241%0.406SS*.SBendtrans-77.571.5171.133.8-34000109.6L232P180-L232 WeakPolarHBondContact O-CA 3.44Å; P180-L232 WeakPolarHBondContact O-CB 3.27Å; P180-L232 PolarHBondContact O-N 3.38Å
181S92.1Very high86.5Confident20 Ų2075.4 Ų75.414%0.1442%0.416CS..EExtended strand (participates in β ladder)trans-120.3148.4176.464.10000111.6L178 G179 R229 Q230L178-S181 WeakPolarHBondContact O-CB 3.48Å; L178-S181 PolarHBondContact O-OG 3.08Å; G179-S181 PolarHBondContact O-N 3.4Å; S181-R229 PolarHBondContact OG-NH1 3.33Å; S181-Q230 CarbonylContact C-O 3.6Å; S181-Q230 VanDerWaalsContact CA-O 3.27Å; S181-Q230 WeakPolarHBondContact CA-O 3.25Å; S181-Q230 WeakPolarHBondContact CB-O 3.4Å
182R94.1Very high87.7Confident78 Ų7873.6 Ų73.629%0.29440%0.4SS..EExtended strand (participates in β ladder)trans-115.1157.4171.765167.8-178.682.7-9.2111E188 R229 Q230 L232R182-E188 IonicContact CZ-OE1 2.66Å; R182-E188 IonicContact CZ-OE2 3.62Å; R182-E188 IonicContact NH1-OE1 3.72Å; R182-E188 IonicContact NH1-OE2 3.17Å; R182-E188 PolarHBondContact NH1-OE2 3.05Å; R182-E188 IonicContact NH2-OE1 3.83Å; R182-E188 PolarHBondContact NH2-OE1 3.18Å; R182-E188 IonicContact NH2-OE2 3.15Å; R182-R229 WeakPolarHBondContact O-CA 3.45Å; R182-Q230 HydrophobicContact CG-CB 4.39Å; R182-Q230 PolarHBondContact N-O 2.94Å; R182-Q230 PolarHBondContact O-N 3.23Å; R182-L232 HydrophobicContact CB-CD1 4.06Å; R182-L232 HydrophobicContact CB-CG 4.47Å; R182-L232 HydrophobicContact CG-CD1 4.08Å; R182-L232 HydrophobicContact CG-CD2 3.98Å; R182-L232 HydrophobicContact CG-CG 4.05Å
183W95.5Very high88.9Confident38 Ų3867.1 Ų67.114%0.14437%0.371CS..EExtended strand (participates in β ladder)trans-63.1151.4165.9-65.1121.3000111I206 M209 L213 V225 R229W183-I206 HydrophobicContact CB-CD1 3.87Å; W183-I206 HydrophobicContact CD2-CD1 4.19Å; W183-I206 HydrophobicContact CG-CD1 3.83Å; W183-M209 HydrophobicContact CH2-CB 3.63Å; W183-M209 HydrophobicContact CH2-CE 3.71Å; W183-M209 HydrophobicContact CH2-CG 4.31Å; W183-M209 HydrophobicContact CZ2-CB 3.88Å; W183-M209 HydrophobicContact CZ3-CB 4.15Å; W183-M209 HydrophobicContact CZ3-CE 3.45Å; W183-M209 VanDerWaalsContact CZ3-CE 3.45Å; W183-M209 HydrophobicContact CZ3-CG 4.37Å; W183-L213 HydrophobicContact CH2-CD1 3.83Å; W183-L213 HydrophobicContact CZ2-CD1 3.53Å; W183-V225 HydrophobicContact CH2-CG1 4.02Å; W183-V225 HydrophobicContact CZ3-CG1 4.26Å; W183-R229 HydrophobicContact CD2-CG 4.31Å; W183-R229 VanDerWaalsContact CE2-NH2 3.29Å; W183-R229 HydrophobicContact CE3-CG 3.56Å; W183-R229 HydrophobicContact CZ3-CG 3.67Å
184L96.1Very high90Very high12 Ų1266.9 Ų66.96%0.06337%0.368CS..PPolyproline II helixtrans-57.3137.7168.5-71.9163.2000110E188 L192 Y202 H228 Q230L184-E188 WeakPolarHBondContact CA-OE2 3.35Å; L184-E188 HydrophobicContact CB-CB 4.34Å; L184-E188 HydrophobicContact CD2-CB 3.97Å; L184-L192 HydrophobicContact CD1-CD1 3.43Å; L184-L192 VanDerWaalsContact CD1-CD1 3.43Å; L184-L192 HydrophobicContact CD2-CD1 4.14Å; L184-L192 HydrophobicContact CG-CD1 4.4Å; L184-Y202 WeakPolarHBondContact O-CE2 3.19Å; L184-Y202 PolarHBondContact O-OH 2.93Å; L184-H228 HydrophobicContact CD1-CB 4.13Å; L184-H228 WeakPolarHBondContact CG-O 3.47Å; L184-H228 PolarHBondContact N-O 2.91Å; L184-Q230 HydrophobicContact CD2-CG 3.73Å
185T96.5Very high91.2Very high52 Ų5258.9 Ų58.932%0.31933%0.334SS..PPolyproline II helixtrans-70.6165.4173.569.90000110.8E187 E188 M189T185-E187 VanDerWaalsContact C-N 3.28Å; T185-E187 PolarHBondContact O-N 2.81Å; T185-E188 PolarHBondContact N-OE2 3.41Å; T185-E188 PolarHBondContact O-N 3.3Å; T185-E188 VanDerWaalsContact OG1-CG 3.25Å; T185-E188 WeakPolarHBondContact OG1-CG 3.47Å; T185-E188 PolarHBondContact OG1-N 2.98Å; T185-E188 PolarHBondContact OG1-OE2 3.4Å; T185-M189 WeakPolarHBondContact O-CB 3.38Å; T185-M189 PolarHBondContact O-N 2.65Å
186K96.3Very high92.1Very high70 Ų7055.8 Ų55.830%0.30433%0.327SS..Hα-helixtrans-53.3-46.3173.7-175.8-173.3-174.5-79.20112M189 E190 I197 Y202K186-M189 PolarHBondContact O-N 2.72Å; K186-E190 IonicContact NZ-OE1 2.64Å; K186-E190 PolarHBondContact NZ-OE1 3.26Å; K186-E190 IonicContact NZ-OE2 3.38Å; K186-E190 WeakPolarHBondContact O-CG 3.45Å; K186-E190 PolarHBondContact O-N 3.17Å; K186-I197 WeakPolarHBondContact CE-O 3.3Å; K186-I197 PolarHBondContact NZ-O 3.48Å; K186-Y202 HydrophobicContact CB-CD2 4.3Å; K186-Y202 HydrophobicContact CB-CG 4.31Å
187E95.9Very high92.7Very high153 Ų15355.5 Ų55.572%0.71533%0.326SS*.Hα-helixtrans-64.7-41.2-178.4-63.1176.7-177.500111.4T185 M189 E190 A191T185-E187 VanDerWaalsContact C-N 3.28Å; T185-E187 PolarHBondContact O-N 2.81Å; E187-M189 VanDerWaalsContact C-N 3.33Å; E187-E190 PolarHBondContact O-N 3.37Å; E187-A191 WeakPolarHBondContact O-CB 3.35Å; E187-A191 PolarHBondContact O-N 3.48Å
188E95.3Very high93.4Very high46 Ų4653.7 Ų53.722%0.21531%0.308CS..Hα-helixtrans-64.5-39.8175.2-67.7165.4169.500111.2R182 L184 T185 A191 L192 Q230R182-E188 IonicContact CZ-OE1 2.66Å; R182-E188 IonicContact CZ-OE2 3.62Å; R182-E188 IonicContact NH1-OE1 3.72Å; R182-E188 IonicContact NH1-OE2 3.17Å; R182-E188 PolarHBondContact NH1-OE2 3.05Å; R182-E188 IonicContact NH2-OE1 3.83Å; R182-E188 PolarHBondContact NH2-OE1 3.18Å; R182-E188 IonicContact NH2-OE2 3.15Å; L184-E188 WeakPolarHBondContact CA-OE2 3.35Å; L184-E188 HydrophobicContact CB-CB 4.34Å; L184-E188 HydrophobicContact CD2-CB 3.97Å; T185-E188 PolarHBondContact N-OE2 3.41Å; T185-E188 PolarHBondContact O-N 3.3Å; T185-E188 VanDerWaalsContact OG1-CG 3.25Å; T185-E188 WeakPolarHBondContact OG1-CG 3.47Å; T185-E188 PolarHBondContact OG1-N 2.98Å; T185-E188 PolarHBondContact OG1-OE2 3.4Å; E188-A191 PolarHBondContact O-N 3.29Å; E188-L192 WeakPolarHBondContact O-CB 3.37Å; E188-L192 VanDerWaalsContact O-CG 3.26Å; E188-L192 WeakPolarHBondContact O-CG 3.48Å; E188-L192 PolarHBondContact O-N 3.33Å; E188-Q230 PolarHBondContact OE1-NE2 3.29Å; E188-Q230 PolarHBondContact OE1-OE1 3.35Å; E188-Q230 PolarHBondContact OE2-NE2 3.22Å
189M95Very high94.1Very high6 Ų659.7 Ų59.73%0.0333%0.327CS..Hα-helixtrans-67.9-40.3177.2-167.3174.3-179.300112.3Y142 L145 T185 K186 E187 A191 L192 L193 I197 Y202 F205Y142-M189 HydrophobicContact CD2-CE 4.27Å; Y142-M189 HydrophobicContact CE2-CE 4.44Å; L145-M189 HydrophobicContact CD1-CE 4.27Å; L145-M189 HydrophobicContact CD2-CE 3.83Å; T185-M189 WeakPolarHBondContact O-CB 3.38Å; T185-M189 PolarHBondContact O-N 2.65Å; K186-M189 PolarHBondContact O-N 2.72Å; E187-M189 VanDerWaalsContact C-N 3.33Å; M189-A191 VanDerWaalsContact C-N 3.33Å; M189-L192 PolarHBondContact O-N 3.44Å; M189-L193 HydrophobicContact CE-CD1 4.02Å; M189-L193 HydrophobicContact CG-CD1 4.22Å; M189-L193 WeakPolarHBondContact O-CG 3.45Å; M189-L193 PolarHBondContact O-N 3.07Å; M189-I197 HydrophobicContact CB-CD1 4.13Å; M189-I197 HydrophobicContact CE-CD1 4.49Å; M189-I197 HydrophobicContact CG-CD1 3.68Å; M189-I197 HydrophobicContact SD-CD1 4.14Å; M189-Y202 HydrophobicContact SD-CD2 3.87Å; M189-Y202 HydrophobicContact SD-CE2 4.37Å; M189-F205 HydrophobicContact CE-CB 4.22Å; M189-F205 HydrophobicContact CE-CD1 3.69Å; M189-F205 HydrophobicContact CE-CD2 3.9Å; M189-F205 HydrophobicContact CE-CE1 3.97Å; M189-F205 HydrophobicContact CE-CE2 4.16Å; M189-F205 HydrophobicContact CE-CG 3.65Å; M189-F205 HydrophobicContact CE-CZ 4.18Å; M189-F205 HydrophobicContact SD-CD1 3.7Å; M189-F205 HydrophobicContact SD-CE1 3.98Å; M189-F205 HydrophobicContact SD-CG 4.21Å
190E95.3Very high94.8Very high49 Ų4962.8 Ų62.823%0.22933%0.325CS..Hα-helixtrans-62.4-41.1173.3-72.4-179.4162.400111.4K186 E187 V194 E195 I197K186-E190 IonicContact NZ-OE1 2.64Å; K186-E190 PolarHBondContact NZ-OE1 3.26Å; K186-E190 IonicContact NZ-OE2 3.38Å; K186-E190 WeakPolarHBondContact O-CG 3.45Å; K186-E190 PolarHBondContact O-N 3.17Å; E187-E190 PolarHBondContact O-N 3.37Å; E190-V194 VanDerWaalsContact O-CA 3.27Å; E190-V194 WeakPolarHBondContact O-CA 3.4Å; E190-V194 PolarHBondContact O-N 3.02Å; E190-E195 WeakPolarHBondContact CA-O 3.36Å; E190-E195 WeakPolarHBondContact CB-O 2.94Å; E190-E195 WeakPolarHBondContact CG-O 3.49Å; E190-E195 PolarHBondContact O-N 2.96Å; E190-I197 HydrophobicContact CG-CB 3.9Å; E190-I197 HydrophobicContact CG-CD1 3.9Å; E190-I197 HydrophobicContact CG-CG1 3.86Å; E190-I197 PolarHBondContact OE1-N 3.18Å
191A93.9Very high95.2Very high63 Ų6360 Ų6052%0.52131%0.305SS..Hα-helixtrans-66.9-35.7176.400000112.8E187 E188 M189E187-A191 WeakPolarHBondContact O-CB 3.35Å; E187-A191 PolarHBondContact O-N 3.48Å; E188-A191 PolarHBondContact O-N 3.29Å; M189-A191 VanDerWaalsContact C-N 3.33Å
192L93.3Very high95.4Very high107 Ų10761.2 Ų61.256%0.5631%0.307SS*.Hα-helixtrans-69.7-45.6176-75.9168.9000112.3L184 E188 M189L184-L192 HydrophobicContact CD1-CD1 3.43Å; L184-L192 VanDerWaalsContact CD1-CD1 3.43Å; L184-L192 HydrophobicContact CD2-CD1 4.14Å; L184-L192 HydrophobicContact CG-CD1 4.4Å; E188-L192 WeakPolarHBondContact O-CB 3.37Å; E188-L192 VanDerWaalsContact O-CG 3.26Å; E188-L192 WeakPolarHBondContact O-CG 3.48Å; E188-L192 PolarHBondContact O-N 3.33Å; M189-L192 PolarHBondContact O-N 3.44Å
193L93.9Very high95.6Very high33 Ų3361.2 Ų61.217%0.17331%0.31CS..Hα-helixtrans-82.6-17.2-178.2-64.6-179.1000113A141 Y142 L145 M189 E195 I197A141-L193 HydrophobicContact CB-CB 4.25Å; A141-L193 HydrophobicContact CB-CD2 4.08Å; Y142-L193 HydrophobicContact CD2-CD1 4.49Å; L145-L193 HydrophobicContact CD1-CD2 4.14Å; M189-L193 HydrophobicContact CE-CD1 4.02Å; M189-L193 HydrophobicContact CG-CD1 4.22Å; M189-L193 WeakPolarHBondContact O-CG 3.45Å; M189-L193 PolarHBondContact O-N 3.07Å; L193-E195 HydrophobicContact CB-CB 4.32Å; L193-E195 HydrophobicContact CB-CG 4.13Å; L193-E195 VanDerWaalsContact O-CG 3.26Å; L193-E195 WeakPolarHBondContact O-CG 3.26Å; L193-E195 PolarHBondContact O-N 3.18Å; L193-I197 HydrophobicContact CD1-CD1 3.84Å
194V94.9Very high95.6Very high47 Ų4764.1 Ų64.129%0.28533%0.325SS..THydrogen-bonded Turntrans55.837.1-171.1-1630000110.1K118 R120 E190K118-V194 HydrophobicContact CB-CG1 4.35Å; K118-V194 HydrophobicContact CB-CG2 4.01Å; K118-V194 WeakPolarHBondContact O-CG1 3.43Å; R120-V194 HydrophobicContact CG-CB 4.32Å; R120-V194 HydrophobicContact CG-CG1 3.96Å; R120-V194 PolarHBondContact NE-O 3.49Å; R120-V194 PolarHBondContact NH2-O 3.26Å; E190-V194 VanDerWaalsContact O-CA 3.27Å; E190-V194 WeakPolarHBondContact O-CA 3.4Å; E190-V194 PolarHBondContact O-N 3.02Å
195E94.1Very high95.6Very high6 Ų663.7 Ų63.73%0.02832%0.323CS..SBendtrans-135.8141.3-179.6-48.2-149.5131.800110.9R120 K139 Q140 A141 Y142 E190 L193R120-E195 IonicContact CZ-OE1 3.84Å; R120-E195 IonicContact NE-OE1 2.78Å; R120-E195 IonicContact NH1-OE1 2.7Å; R120-E195 PolarHBondContact NH1-OE1 3.28Å; R120-E195 IonicContact NH2-OE1 2.91Å; R120-E195 PolarHBondContact NH2-OE1 2.9Å; R120-E195 VanDerWaalsContact NH2-OE1 3.15Å; K139-E195 VanDerWaalsContact CA-OE2 3.3Å; K139-E195 WeakPolarHBondContact CA-OE2 3.35Å; Q140-E195 PolarHBondContact N-OE1 3.3Å; Q140-E195 PolarHBondContact N-OE2 2.92Å; A141-E195 VanDerWaalsContact CB-CD 3.42Å; A141-E195 HydrophobicContact CB-CG 3.81Å; A141-E195 PolarHBondContact N-OE1 3.18Å; A141-E195 PolarHBondContact N-OE2 3.06Å; A141-E195 VanDerWaalsContact N-OE2 3.14Å; Y142-E195 PolarHBondContact N-OE2 2.95Å; Y142-E195 VanDerWaalsContact N-OE2 3.13Å; E190-E195 WeakPolarHBondContact CA-O 3.36Å; E190-E195 WeakPolarHBondContact CB-O 2.94Å; E190-E195 WeakPolarHBondContact CG-O 3.49Å; E190-E195 PolarHBondContact O-N 2.96Å; L193-E195 HydrophobicContact CB-CB 4.32Å; L193-E195 HydrophobicContact CB-CG 4.13Å; L193-E195 VanDerWaalsContact O-CG 3.26Å; L193-E195 WeakPolarHBondContact O-CG 3.26Å; L193-E195 PolarHBondContact O-N 3.18Å
196P94.5Very high95.6Very high93 Ų9362.2 Ų62.260%0.60431%0.313SS*.  trans-73.3131.6171.230.5-33000110.1
197I94.9Very high95.6Very high8 Ų864.2 Ų64.24%0.04132%0.323CS..  trans-117.2139.1-175-58.8169.1000108.4Y142 K186 M189 E190 L193 D201Y142-I197 HydrophobicContact CD2-CG2 4.49Å; K186-I197 WeakPolarHBondContact CE-O 3.3Å; K186-I197 PolarHBondContact NZ-O 3.48Å; M189-I197 HydrophobicContact CB-CD1 4.13Å; M189-I197 HydrophobicContact CE-CD1 4.49Å; M189-I197 HydrophobicContact CG-CD1 3.68Å; M189-I197 HydrophobicContact SD-CD1 4.14Å; E190-I197 HydrophobicContact CG-CB 3.9Å; E190-I197 HydrophobicContact CG-CD1 3.9Å; E190-I197 HydrophobicContact CG-CG1 3.86Å; E190-I197 PolarHBondContact OE1-N 3.18Å; L193-I197 HydrophobicContact CD1-CD1 3.84Å; I197-D201 HydrophobicContact CG2-CB 3.65Å
198S96.9Very high95.6Very high49 Ų4958.8 Ų58.834%0.34330%0.299SS..  trans-74154.1171.7-175.20000110Q200 D201 Y202S198-Q200 PolarHBondContact O-N 3.31Å; S198-D201 VanDerWaalsContact CB-OD2 3.22Å; S198-D201 WeakPolarHBondContact CB-OD2 3.25Å; S198-D201 PolarHBondContact N-OD2 2.98Å; S198-D201 VanDerWaalsContact N-OD2 3.13Å; S198-D201 WeakPolarHBondContact O-CB 3.3Å; S198-D201 PolarHBondContact O-N 3.45Å; S198-Y202 PolarHBondContact O-N 2.79Å; S198-Y202 VanDerWaalsContact O-N 3.09Å
199R96.6Very high95.6Very high176 Ų17656.6 Ų56.666%0.66429%0.288SS*.Hα-helixtrans-58.1-39171.9-179.9178.7169.3168.73.4111.5Y202 E203R199-Y202 PolarHBondContact O-N 2.96Å; R199-E203 WeakPolarHBondContact CG-OE1 3.29Å; R199-E203 IonicContact CZ-OE1 3.24Å; R199-E203 IonicContact NE-OE1 3.87Å; R199-E203 PolarHBondContact NE-OE1 3.12Å; R199-E203 IonicContact NH2-OE1 2.62Å; R199-E203 WeakPolarHBondContact O-CG 3.49Å; R199-E203 PolarHBondContact O-N 3.04Å
200Q97.3Very high95.5Very high128 Ų12861.2 Ų61.260%0.59831%0.31SS*.Hα-helixtrans-61.2-49.7176.8-67.8173.5-0.100110.7S198 Y202 E203 H204S198-Q200 PolarHBondContact O-N 3.31Å; Q200-Y202 VanDerWaalsContact C-N 3.27Å; Q200-Y202 PolarHBondContact O-N 2.91Å; Q200-E203 WeakPolarHBondContact O-CB 3.3Å; Q200-E203 PolarHBondContact O-N 2.76Å; Q200-H204 PolarHBondContact O-N 3.38Å; Q200-H204 PolarHBondContact O-ND1 2.85Å
201D96Very high95.5Very high25 Ų2564.1 Ų64.113%0.13432%0.319CS..Hα-helixtrans-54-46177.8-61.8-23.7000111.4K139 Y142 I197 S198 E203 H204 F205K139-D201 IonicContact NZ-OD2 3.63Å; K139-D201 PolarHBondContact NZ-OD2 2.87Å; Y142-D201 HydrophobicContact CE1-CB 4.08Å; Y142-D201 HydrophobicContact CE2-CB 3.99Å; Y142-D201 WeakPolarHBondContact OH-CA 3.5Å; Y142-D201 PolarHBondContact OH-O 2.68Å; I197-D201 HydrophobicContact CG2-CB 3.65Å; S198-D201 VanDerWaalsContact CB-OD2 3.22Å; S198-D201 WeakPolarHBondContact CB-OD2 3.25Å; S198-D201 PolarHBondContact N-OD2 2.98Å; S198-D201 VanDerWaalsContact N-OD2 3.13Å; S198-D201 WeakPolarHBondContact O-CB 3.3Å; S198-D201 PolarHBondContact O-N 3.45Å; D201-E203 PolarHBondContact O-N 3.36Å; D201-H204 PolarHBondContact O-N 2.8Å; D201-F205 PolarHBondContact O-N 3.21Å
202Y96.9Very high95.4Very high47 Ų4761.1 Ų61.118%0.18429%0.294CS..Hα-helixtrans-60.8-43.5175.7173.9-96.1000112.5L184 K186 M189 S198 R199 Q200 H204 F205 I206L184-Y202 WeakPolarHBondContact O-CE2 3.19Å; L184-Y202 PolarHBondContact O-OH 2.93Å; K186-Y202 HydrophobicContact CB-CD2 4.3Å; K186-Y202 HydrophobicContact CB-CG 4.31Å; M189-Y202 HydrophobicContact SD-CD2 3.87Å; M189-Y202 HydrophobicContact SD-CE2 4.37Å; S198-Y202 PolarHBondContact O-N 2.79Å; S198-Y202 VanDerWaalsContact O-N 3.09Å; R199-Y202 PolarHBondContact O-N 2.96Å; Q200-Y202 VanDerWaalsContact C-N 3.27Å; Q200-Y202 PolarHBondContact O-N 2.91Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 3.35Å; Y202-F205 WeakPolarHBondContact O-CB 3.38Å; Y202-F205 PolarHBondContact O-N 3.03Å; Y202-I206 HydrophobicContact CD1-CG1 4.35Å; Y202-I206 HydrophobicContact CE1-CG1 3.84Å; Y202-I206 HydrophobicContact CE2-CD1 4.09Å; Y202-I206 HydrophobicContact CE2-CG1 4.07Å; Y202-I206 WeakPolarHBondContact O-CG1 3.45Å; Y202-I206 PolarHBondContact O-N 3.24Å
203E97.6Very high95.3Very high77 Ų7757.5 Ų57.536%0.3628%0.275SS..Hα-helixtrans-61.3-40.2175.8-72.1167.6-175.900111.8R199 Q200 D201 I206 Q207R199-E203 WeakPolarHBondContact CG-OE1 3.29Å; R199-E203 IonicContact CZ-OE1 3.24Å; R199-E203 IonicContact NE-OE1 3.87Å; R199-E203 PolarHBondContact NE-OE1 3.12Å; R199-E203 IonicContact NH2-OE1 2.62Å; R199-E203 WeakPolarHBondContact O-CG 3.49Å; R199-E203 PolarHBondContact O-N 3.04Å; Q200-E203 WeakPolarHBondContact O-CB 3.3Å; Q200-E203 PolarHBondContact O-N 2.76Å; D201-E203 PolarHBondContact O-N 3.36Å; E203-I206 PolarHBondContact O-N 3Å; E203-Q207 VanDerWaalsContact O-CG 3.26Å; E203-Q207 WeakPolarHBondContact O-CG 3.49Å; E203-Q207 PolarHBondContact O-N 3.34Å
204H96.6Very high95.1Very high99 Ų9960 Ų6046%0.45830%0.301SS..Hα-helixtrans-64.1-41.3175.2-69.684.7000112M146 Q200 D201 Y202 Q207 L208M146-H204 HydrophobicContact CE-CB 4.39Å; Q200-H204 PolarHBondContact O-N 3.38Å; Q200-H204 PolarHBondContact O-ND1 2.85Å; D201-H204 PolarHBondContact O-N 2.8Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 3.35Å; H204-Q207 PolarHBondContact O-N 3.37Å; H204-L208 PolarHBondContact O-N 3.06Å; H204-L208 VanDerWaalsContact O-N 3.08Å
205F96.6Very high94.7Very high4 Ų458.9 Ų58.92%0.01829%0.293CS..Hα-helixtrans-59.2-48.1175167.4-106.4000111.5Y142 L145 M146 L149 M189 D201 Y202 Q207 L208 M209 H228Y142-F205 HydrophobicContact CE2-CB 4.45Å; L145-F205 HydrophobicContact CD2-CD2 3.4Å; L145-F205 HydrophobicContact CD2-CE2 3.35Å; L145-F205 HydrophobicContact CD2-CG 4.43Å; L145-F205 HydrophobicContact CD2-CZ 4.35Å; L145-F205 HydrophobicContact CG-CE2 4.32Å; M146-F205 HydrophobicContact SD-CB 3.92Å; M146-F205 HydrophobicContact SD-CD2 3.99Å; M146-F205 HydrophobicContact SD-CG 4.47Å; L149-F205 HydrophobicContact CD1-CD2 3.7Å; L149-F205 HydrophobicContact CD1-CE2 3.67Å; M189-F205 HydrophobicContact CE-CB 4.22Å; M189-F205 HydrophobicContact CE-CD1 3.69Å; M189-F205 HydrophobicContact CE-CD2 3.9Å; M189-F205 HydrophobicContact CE-CE1 3.97Å; M189-F205 HydrophobicContact CE-CE2 4.16Å; M189-F205 HydrophobicContact CE-CG 3.65Å; M189-F205 HydrophobicContact CE-CZ 4.18Å; M189-F205 HydrophobicContact SD-CD1 3.7Å; M189-F205 HydrophobicContact SD-CE1 3.98Å; M189-F205 HydrophobicContact SD-CG 4.21Å; D201-F205 PolarHBondContact O-N 3.21Å; Y202-F205 WeakPolarHBondContact O-CB 3.38Å; Y202-F205 PolarHBondContact O-N 3.03Å; F205-Q207 PolarHBondContact O-N 3.48Å; F205-L208 PolarHBondContact O-N 3.23Å; F205-M209 HydrophobicContact CD1-CG 4.5Å; F205-M209 HydrophobicContact CD2-CG 4.17Å; F205-M209 HydrophobicContact CE1-CG 4.04Å; F205-M209 HydrophobicContact CE2-CG 3.67Å; F205-M209 HydrophobicContact CE2-SD 3.97Å; F205-M209 HydrophobicContact CZ-CE 4.43Å; F205-M209 HydrophobicContact CZ-CG 3.61Å; F205-M209 HydrophobicContact CZ-SD 4.07Å; F205-M209 WeakPolarHBondContact O-CG 3.37Å; F205-M209 PolarHBondContact O-N 3.24Å; F205-H228 HydrophobicContact CZ-CB 4.3Å
206I96.7Very high94.2Very high20 Ų2060.3 Ų60.310%0.10330%0.303CS..Hα-helixtrans-62.6-43.4178.8-63.7-59.7000111.2W183 Y202 E203 L208 M209 E210W183-I206 HydrophobicContact CB-CD1 3.87Å; W183-I206 HydrophobicContact CD2-CD1 4.19Å; W183-I206 HydrophobicContact CG-CD1 3.83Å; Y202-I206 HydrophobicContact CD1-CG1 4.35Å; Y202-I206 HydrophobicContact CE1-CG1 3.84Å; Y202-I206 HydrophobicContact CE2-CD1 4.09Å; Y202-I206 HydrophobicContact CE2-CG1 4.07Å; Y202-I206 WeakPolarHBondContact O-CG1 3.45Å; Y202-I206 PolarHBondContact O-N 3.24Å; E203-I206 PolarHBondContact O-N 3Å; I206-L208 VanDerWaalsContact C-N 3.28Å; I206-L208 PolarHBondContact O-N 3.16Å; I206-M209 PolarHBondContact O-N 2.97Å; I206-M209 VanDerWaalsContact O-N 3.13Å; I206-E210 HydrophobicContact CG2-CG 4.18Å; I206-E210 WeakPolarHBondContact CG2-OE1 3.43Å; I206-E210 WeakPolarHBondContact O-CB 3.48Å; I206-E210 WeakPolarHBondContact O-CG 3.47Å; I206-E210 PolarHBondContact O-N 2.93Å
207Q96.5Very high93.5Very high113 Ų11356.5 Ų56.553%0.52828%0.278SS..Hα-helixtrans-57.1-40.9176-74.5170.64.300112.3E203 H204 F205 R211E203-Q207 VanDerWaalsContact O-CG 3.26Å; E203-Q207 WeakPolarHBondContact O-CG 3.49Å; E203-Q207 PolarHBondContact O-N 3.34Å; H204-Q207 PolarHBondContact O-N 3.37Å; F205-Q207 PolarHBondContact O-N 3.48Å; Q207-R211 VanDerWaalsContact O-CB 3.32Å; Q207-R211 WeakPolarHBondContact O-CB 3.34Å; Q207-R211 PolarHBondContact O-N 3.43Å
208L95.4Very high92.7Very high38 Ų3856.2 Ų56.220%0.19928%0.277CS..Hα-helixtrans-70.8-37.1176.7-69.1-172.1000112.8M146 L149 H204 F205 I206 R211 L212M146-L208 HydrophobicContact CE-CD1 3.32Å; M146-L208 HydrophobicContact CE-CG 4.22Å; M146-L208 HydrophobicContact SD-CD1 4.2Å; L149-L208 HydrophobicContact CD1-CB 3.93Å; L149-L208 HydrophobicContact CD2-CB 3.57Å; L149-L208 HydrophobicContact CD2-CD1 4.2Å; L149-L208 HydrophobicContact CD2-CG 4.5Å; L149-L208 HydrophobicContact CG-CB 4.44Å; H204-L208 PolarHBondContact O-N 3.06Å; H204-L208 VanDerWaalsContact O-N 3.08Å; F205-L208 PolarHBondContact O-N 3.23Å; I206-L208 VanDerWaalsContact C-N 3.28Å; I206-L208 PolarHBondContact O-N 3.16Å; L208-R211 WeakPolarHBondContact O-CB 3.46Å; L208-R211 PolarHBondContact O-N 3.06Å; L208-L212 PolarHBondContact O-N 2.91Å
209M94.5Very high92.1Very high0 Ų056.3 Ų56.30%028%0.277CS..Hα-helixtrans-65.4-42.1174.6-70.6-63.5-78.700111.9L149 W183 F205 I206 L212 L213 F224 V225 H228L149-M209 HydrophobicContact CD1-CG 3.78Å; L149-M209 HydrophobicContact CD1-SD 3.47Å; L149-M209 WeakPolarHBondContact CD1-SD 3.47Å; L149-M209 HydrophobicContact CG-SD 3.96Å; W183-M209 HydrophobicContact CH2-CB 3.63Å; W183-M209 HydrophobicContact CH2-CE 3.71Å; W183-M209 HydrophobicContact CH2-CG 4.31Å; W183-M209 HydrophobicContact CZ2-CB 3.88Å; W183-M209 HydrophobicContact CZ3-CB 4.15Å; W183-M209 HydrophobicContact CZ3-CE 3.45Å; W183-M209 VanDerWaalsContact CZ3-CE 3.45Å; W183-M209 HydrophobicContact CZ3-CG 4.37Å; F205-M209 HydrophobicContact CD1-CG 4.5Å; F205-M209 HydrophobicContact CD2-CG 4.17Å; F205-M209 HydrophobicContact CE1-CG 4.04Å; F205-M209 HydrophobicContact CE2-CG 3.67Å; F205-M209 HydrophobicContact CE2-SD 3.97Å; F205-M209 HydrophobicContact CZ-CE 4.43Å; F205-M209 HydrophobicContact CZ-CG 3.61Å; F205-M209 HydrophobicContact CZ-SD 4.07Å; F205-M209 WeakPolarHBondContact O-CG 3.37Å; F205-M209 PolarHBondContact O-N 3.24Å; I206-M209 PolarHBondContact O-N 2.97Å; I206-M209 VanDerWaalsContact O-N 3.13Å; M209-L212 WeakPolarHBondContact O-CB 3.37Å; M209-L212 PolarHBondContact O-N 2.89Å; M209-L213 WeakPolarHBondContact O-CG 3.29Å; M209-L213 PolarHBondContact O-N 3.04Å; M209-F224 HydrophobicContact CE-CD1 4.37Å; M209-F224 HydrophobicContact CE-CE1 4.23Å; M209-F224 HydrophobicContact SD-CD1 4.44Å; M209-F224 HydrophobicContact SD-CE1 3.84Å; M209-V225 HydrophobicContact CE-CG2 4.26Å; M209-H228 HydrophobicContact CE-CB 4.06Å
210E93.6Very high91.6Very high103 Ų10352.4 Ų52.448%0.48127%0.269SS..Hα-helixtrans-65-40.7174.5-72.6176.8174.600111.4I206 L212 L213 A214I206-E210 HydrophobicContact CG2-CG 4.18Å; I206-E210 WeakPolarHBondContact CG2-OE1 3.43Å; I206-E210 WeakPolarHBondContact O-CB 3.48Å; I206-E210 WeakPolarHBondContact O-CG 3.47Å; I206-E210 PolarHBondContact O-N 2.93Å; E210-L212 VanDerWaalsContact C-N 3.31Å; E210-L212 PolarHBondContact O-N 3.41Å; E210-L213 PolarHBondContact O-N 3.42Å; E210-A214 WeakPolarHBondContact O-CB 3.46Å; E210-A214 PolarHBondContact O-N 3.42Å
211R94.2Very high91.1Very high111 Ų11147.5 Ų47.542%0.41925%0.246SC..Hα-helixtrans-57.8-44.9170.9177.7179.8167.1177.9-4.5111.1E157 Q207 L208 L213 A214 M215E157-R211 IonicContact OE1-NH2 3.01Å; E157-R211 PolarHBondContact OE1-NH2 3.28Å; Q207-R211 VanDerWaalsContact O-CB 3.32Å; Q207-R211 WeakPolarHBondContact O-CB 3.34Å; Q207-R211 PolarHBondContact O-N 3.43Å; L208-R211 WeakPolarHBondContact O-CB 3.46Å; L208-R211 PolarHBondContact O-N 3.06Å; R211-L213 VanDerWaalsContact C-N 3.31Å; R211-L213 PolarHBondContact O-N 2.98Å; R211-A214 PolarHBondContact O-N 3.41Å; R211-M215 WeakPolarHBondContact O-CG 3.43Å; R211-M215 PolarHBondContact O-N 2.96Å
212L91.7Very high90.8Very high0 Ų050.6 Ų50.60%026%0.26CS..Hα-helixtrans-61.8-39.6178.5-175.3151000112R152 V153 L208 M209 E210 M215 E221 V225R152-L212 HydrophobicContact CB-CD1 4.11Å; V153-L212 HydrophobicContact CG2-CB 4.24Å; V153-L212 HydrophobicContact CG2-CD1 4.13Å; L208-L212 PolarHBondContact O-N 2.91Å; M209-L212 WeakPolarHBondContact O-CB 3.37Å; M209-L212 PolarHBondContact O-N 2.89Å; E210-L212 VanDerWaalsContact C-N 3.31Å; E210-L212 PolarHBondContact O-N 3.41Å; L212-M215 HydrophobicContact CB-CE 4.36Å; L212-M215 HydrophobicContact CG-CE 4.2Å; L212-M215 PolarHBondContact O-N 3.35Å; L212-E221 HydrophobicContact CD2-CB 4.24Å; L212-V225 HydrophobicContact CD2-CG2 3.69Å
213L91Very high90.6Very high31 Ų3156.7 Ų56.716%0.16229%0.29CS..Hα-helixtrans-67.5-34.7175.6-73.8176.8000113.4I176 L178 W183 M209 E210 R211 M215 V225I176-L213 HydrophobicContact CD1-CD2 3.82Å; L178-L213 HydrophobicContact CD1-CD1 3.98Å; L178-L213 HydrophobicContact CD1-CD2 4.46Å; L178-L213 HydrophobicContact CD2-CD2 4.25Å; W183-L213 HydrophobicContact CH2-CD1 3.83Å; W183-L213 HydrophobicContact CZ2-CD1 3.53Å; M209-L213 WeakPolarHBondContact O-CG 3.29Å; M209-L213 PolarHBondContact O-N 3.04Å; E210-L213 PolarHBondContact O-N 3.42Å; R211-L213 VanDerWaalsContact C-N 3.31Å; R211-L213 PolarHBondContact O-N 2.98Å; L213-M215 PolarHBondContact O-N 3.21Å; L213-V225 HydrophobicContact CD2-CG1 3.99Å; L213-V225 HydrophobicContact CD2-CG2 4.22Å
214A90.2Very high90.3Very high86 Ų8653.9 Ų53.971%0.71128%0.277SS*.Hα-helixtrans-70.4-18.4179.300000113.3E210 R211E210-A214 WeakPolarHBondContact O-CB 3.46Å; E210-A214 PolarHBondContact O-N 3.42Å; R211-A214 PolarHBondContact O-N 3.41Å
215M87.3Confident90.1Very high22 Ų2249.2 Ų49.211%0.10826%0.255CS..SBendtrans-74.9144.8-179.3-68.6-165.5-65.400113.1V153 V156 E157 R211 L212 L213V153-M215 HydrophobicContact CB-CE 4.07Å; V153-M215 HydrophobicContact CG1-CE 3.8Å; V153-M215 HydrophobicContact CG1-SD 3.98Å; V153-M215 HydrophobicContact CG2-CE 4.07Å; V156-M215 HydrophobicContact CB-CE 3.79Å; V156-M215 HydrophobicContact CG1-CB 4.15Å; V156-M215 HydrophobicContact CG1-CE 3.72Å; V156-M215 HydrophobicContact CG1-SD 4.15Å; V156-M215 HydrophobicContact CG2-CE 4.36Å; E157-M215 HydrophobicContact CG-SD 4.04Å; R211-M215 WeakPolarHBondContact O-CG 3.43Å; R211-M215 PolarHBondContact O-N 2.96Å; L212-M215 HydrophobicContact CB-CE 4.36Å; L212-M215 HydrophobicContact CG-CE 4.2Å; L212-M215 PolarHBondContact O-N 3.35Å; L213-M215 PolarHBondContact O-N 3.21Å
216P82.4Confident89.9Confident37 Ų3751.7 Ų51.724%0.2427%0.267CS..THydrogen-bonded Turntrans-66.2142.917123.9-27.7000110.7Q160 F169 P173Q160-P216 HydrophobicContact CG-CG 4.29Å; Q160-P216 VanDerWaalsContact NE2-CD 3.32Å; Q160-P216 PolarHBondContact NE2-O 3.38Å; F169-P216 HydrophobicContact CZ-CB 4.04Å; F169-P216 HydrophobicContact CZ-CG 3.88Å; P173-P216 HydrophobicContact CB-CB 3.95Å; P173-P216 HydrophobicContact CG-CB 4.47Å
217C79.7Confident89.7Confident13 Ų1354.2 Ų54.29%0.08829%0.287CS..THydrogen-bonded Turntrans72.324.6-175-42.70000115.7S219 L220C217-S219 PolarHBondContact O-N 3.27Å; C217-S219 VanDerWaalsContact O-N 3.08Å; C217-L220 PolarHBondContact O-N 3.13Å
218C80.1Confident89.6Confident2 Ų250 Ų501%0.01427%0.267CS..G310 helixtrans-59.5-19.1176.962.90000114.2I176 L220 E221I176-C218 HydrophobicContact CD1-CB 4.11Å; I176-C218 WeakPolarHBondContact CD1-O 3.32Å; C218-L220 PolarHBondContact O-N 3.24Å; C218-L220 VanDerWaalsContact O-N 3.07Å; C218-E221 PolarHBondContact O-N 3.31Å
219S83.3Confident89.5Confident50 Ų5050 Ų5035%0.3526%0.264SS..G310 helixtrans-54.9-26.217860.70000114.7C217 E221 Q222C217-S219 PolarHBondContact O-N 3.27Å; C217-S219 VanDerWaalsContact O-N 3.08Å; S219-E221 PolarHBondContact O-N 2.91Å; S219-Q222 WeakPolarHBondContact O-CB 3.43Å; S219-Q222 PolarHBondContact O-N 2.96Å
220L85.7Confident89.4Confident95 Ų9553 Ų5350%0.49728%0.278SS..G310 helixtrans-59.1-33.2176.1-68.9174.3000112.6H159 C217 C218H159-L220 HydrophobicContact CB-CD1 4.2Å; C217-L220 PolarHBondContact O-N 3.13Å; C218-L220 PolarHBondContact O-N 3.24Å; C218-L220 VanDerWaalsContact O-N 3.07Å
221E88.1Confident89.2Confident24 Ų2455.8 Ų55.811%0.11229%0.291CS..G310 helixtrans-107.320.6-172.9-62.1-64.3167.300112.2R152 V156 L212 C218 S219 Q223 F224 V225R152-E221 HydrophobicContact CB-CG 4.17Å; R152-E221 VanDerWaalsContact CD-OE2 3.3Å; R152-E221 WeakPolarHBondContact CD-OE2 3.37Å; R152-E221 HydrophobicContact CG-CG 4.47Å; R152-E221 IonicContact CZ-OE2 3.16Å; R152-E221 IonicContact NE-OE2 3.05Å; R152-E221 IonicContact NH1-OE2 3.99Å; R152-E221 PolarHBondContact NH1-OE2 3.46Å; V156-E221 HydrophobicContact CG2-CG 3.99Å; L212-E221 HydrophobicContact CD2-CB 4.24Å; C218-E221 PolarHBondContact O-N 3.31Å; S219-E221 PolarHBondContact O-N 2.91Å; E221-Q223 VanDerWaalsContact C-N 3.31Å; E221-Q223 PolarHBondContact O-N 3.31Å; E221-F224 PolarHBondContact O-N 3.39Å; E221-V225 PolarHBondContact O-N 3.39Å; E221-V225 VanDerWaalsContact O-N 3.13Å
222Q89.6Confident88.9Confident91 Ų9154.6 Ų54.643%0.42529%0.293SS..Hα-helixtrans-55.9-43.3-177.3-179.7176.8-4.300112.6I176 S219 F224 V225 M226I176-Q222 HydrophobicContact CD1-CB 4.28Å; I176-Q222 HydrophobicContact CG1-CB 4.2Å; I176-Q222 HydrophobicContact CG1-CG 4.38Å; I176-Q222 HydrophobicContact CG2-CG 3.99Å; S219-Q222 WeakPolarHBondContact O-CB 3.43Å; S219-Q222 PolarHBondContact O-N 2.96Å; Q222-F224 VanDerWaalsContact C-N 3.27Å; Q222-F224 PolarHBondContact O-N 2.89Å; Q222-V225 PolarHBondContact O-N 3.19Å; Q222-M226 HydrophobicContact CG-CG 4.11Å; Q222-M226 WeakPolarHBondContact O-CB 3.48Å; Q222-M226 VanDerWaalsContact O-CG 3.23Å; Q222-M226 WeakPolarHBondContact O-CG 2.96Å; Q222-M226 PolarHBondContact O-N 3.36Å
223Q91.1Very high88.6Confident175 Ų17563.3 Ų63.382%0.81833%0.333SS*.Hα-helixtrans-59.5-39.4-178-67.9178.9-10.400112.2E221 M226 S227E221-Q223 VanDerWaalsContact C-N 3.31Å; E221-Q223 PolarHBondContact O-N 3.31Å; Q223-M226 PolarHBondContact O-N 3.18Å; Q223-S227 PolarHBondContact O-N 2.63Å
224F92.5Very high88.1Confident18 Ų1865.8 Ų65.88%0.07936%0.359CS..Hα-helixtrans-75.6-38-179.6178.6-101.4000113L149 R152 M209 E221 Q222 M226 S227 H228L149-F224 HydrophobicContact CB-CE1 4.32Å; L149-F224 HydrophobicContact CB-CZ 4.32Å; L149-F224 HydrophobicContact CG-CE1 4.17Å; R152-F224 VanDerWaalsContact CZ-CB 3.49Å; M209-F224 HydrophobicContact CE-CD1 4.37Å; M209-F224 HydrophobicContact CE-CE1 4.23Å; M209-F224 HydrophobicContact SD-CD1 4.44Å; M209-F224 HydrophobicContact SD-CE1 3.84Å; E221-F224 PolarHBondContact O-N 3.39Å; Q222-F224 VanDerWaalsContact C-N 3.27Å; Q222-F224 PolarHBondContact O-N 2.89Å; F224-M226 VanDerWaalsContact C-N 3.3Å; F224-M226 PolarHBondContact O-N 3.41Å; F224-S227 WeakPolarHBondContact CA-OG 3.13Å; F224-S227 PolarHBondContact O-N 2.89Å; F224-S227 PolarHBondContact O-OG 3.28Å; F224-H228 AromaticContact CD2-NE2 3.89Å; F224-H228 AromaticContact CE2-CD2 3.84Å; F224-H228 AromaticContact CE2-NE2 3.33Å; F224-H228 VanDerWaalsContact CE2-NE2 3.33Å; F224-H228 WeakPolarHBondContact CE2-NE2 3.35Å; F224-H228 AromaticContact CZ-CD2 3.78Å; F224-H228 AromaticContact CZ-NE2 3.54Å; F224-H228 PolarHBondContact O-CD2 3.43Å; F224-H228 PolarHBondContact O-N 3.07Å
225V92.8Very high87.4Confident0 Ų070.1 Ų70.10%036%0.364CS..Hα-helixtrans-61.1-45171.8172.70000110.1I176 L178 W183 M209 L212 L213 E221 Q222 H228 R229I176-V225 HydrophobicContact CD1-CB 4.36Å; I176-V225 HydrophobicContact CD1-CG2 4.1Å; L178-V225 HydrophobicContact CD2-CG1 4.08Å; W183-V225 HydrophobicContact CH2-CG1 4.02Å; W183-V225 HydrophobicContact CZ3-CG1 4.26Å; M209-V225 HydrophobicContact CE-CG2 4.26Å; L212-V225 HydrophobicContact CD2-CG2 3.69Å; L213-V225 HydrophobicContact CD2-CG1 3.99Å; L213-V225 HydrophobicContact CD2-CG2 4.22Å; E221-V225 PolarHBondContact O-N 3.39Å; E221-V225 VanDerWaalsContact O-N 3.13Å; Q222-V225 PolarHBondContact O-N 3.19Å; V225-H228 PolarHBondContact O-N 2.87Å; V225-R229 WeakPolarHBondContact O-CG 3.33Å; V225-R229 PolarHBondContact O-N 3.5Å
226M91.6Very high86.9Confident57 Ų5773.7 Ų73.728%0.28139%0.392SS..Hα-helixtrans-69.8-31.9-177.8-67.3-58.2-69.400112.8Q222 Q223 F224 H228 R229Q222-M226 HydrophobicContact CG-CG 4.11Å; Q222-M226 WeakPolarHBondContact O-CB 3.48Å; Q222-M226 VanDerWaalsContact O-CG 3.23Å; Q222-M226 WeakPolarHBondContact O-CG 2.96Å; Q222-M226 PolarHBondContact O-N 3.36Å; Q223-M226 PolarHBondContact O-N 3.18Å; F224-M226 VanDerWaalsContact C-N 3.3Å; F224-M226 PolarHBondContact O-N 3.41Å; M226-H228 PolarHBondContact O-N 2.97Å; M226-R229 PolarHBondContact O-N 3.43Å; M226-R229 VanDerWaalsContact O-N 3.14Å
227S93Very high86.3Confident73 Ų7378.5 Ų78.551%0.5141%0.412SS..Hα-helixtrans-64.5-23.8174.161.30000113.3Q223 F224Q223-S227 PolarHBondContact O-N 2.63Å; F224-S227 WeakPolarHBondContact CA-OG 3.13Å; F224-S227 PolarHBondContact O-N 2.89Å; F224-S227 PolarHBondContact O-OG 3.28Å
228H93.8Very high86.1Confident24 Ų2481.9 Ų81.911%0.11143%0.427CS..THydrogen-bonded Turntrans-99.713.6177.1-64.6-55.2000113.8L184 F205 M209 F224 V225 M226L184-H228 HydrophobicContact CD1-CB 4.13Å; L184-H228 WeakPolarHBondContact CG-O 3.47Å; L184-H228 PolarHBondContact N-O 2.91Å; F205-H228 HydrophobicContact CZ-CB 4.3Å; M209-H228 HydrophobicContact CE-CB 4.06Å; F224-H228 AromaticContact CD2-NE2 3.89Å; F224-H228 AromaticContact CE2-CD2 3.84Å; F224-H228 AromaticContact CE2-NE2 3.33Å; F224-H228 VanDerWaalsContact CE2-NE2 3.33Å; F224-H228 WeakPolarHBondContact CE2-NE2 3.35Å; F224-H228 AromaticContact CZ-CD2 3.78Å; F224-H228 AromaticContact CZ-NE2 3.54Å; F224-H228 PolarHBondContact O-CD2 3.43Å; F224-H228 PolarHBondContact O-N 3.07Å; V225-H228 PolarHBondContact O-N 2.87Å; M226-H228 PolarHBondContact O-N 2.97Å
229R93.3Very high85.9Confident37 Ų3785 Ų8514%0.1444%0.441CS..EExtended strand (participates in β ladder)trans-120.9150.2176.9-76.3-174.2166.6-127.30.7111.1S181 R182 W183 V225 M226S181-R229 PolarHBondContact OG-NH1 3.33Å; R182-R229 WeakPolarHBondContact O-CA 3.45Å; W183-R229 HydrophobicContact CD2-CG 4.31Å; W183-R229 VanDerWaalsContact CE2-NH2 3.29Å; W183-R229 HydrophobicContact CE3-CG 3.56Å; W183-R229 HydrophobicContact CZ3-CG 3.67Å; V225-R229 WeakPolarHBondContact O-CG 3.33Å; V225-R229 PolarHBondContact O-N 3.5Å; M226-R229 PolarHBondContact O-N 3.43Å; M226-R229 VanDerWaalsContact O-N 3.14Å
230Q91.9Very high85.8Confident64 Ų6488.9 Ų88.930%0.29946%0.462SS..EExtended strand (participates in β ladder)trans-111.1131.9170-67.5-171.6000109.6S181 R182 L184 E188S181-Q230 CarbonylContact C-O 3.6Å; S181-Q230 VanDerWaalsContact CA-O 3.27Å; S181-Q230 WeakPolarHBondContact CA-O 3.25Å; S181-Q230 WeakPolarHBondContact CB-O 3.4Å; R182-Q230 HydrophobicContact CG-CB 4.39Å; R182-Q230 PolarHBondContact N-O 2.94Å; R182-Q230 PolarHBondContact O-N 3.23Å; L184-Q230 HydrophobicContact CD2-CG 3.73Å; E188-Q230 PolarHBondContact OE1-NE2 3.29Å; E188-Q230 PolarHBondContact OE1-OE1 3.35Å; E188-Q230 PolarHBondContact OE2-NE2 3.22Å
231Q90.5Very high85.7Confident161 Ų16187.5 Ų87.575%0.75246%0.458SS*.EExtended strand (participates in β ladder)trans-72132.8172.4-67.9-177.9-14.700109.2
232L88.3Confident85.4Confident86 Ų8687.7 Ų87.745%0.4546%0.461SS..  trans-99.4126.2173.3-64175.3000108.4P180 R182 A234P180-L232 WeakPolarHBondContact O-CA 3.44Å; P180-L232 WeakPolarHBondContact O-CB 3.27Å; P180-L232 PolarHBondContact O-N 3.38Å; R182-L232 HydrophobicContact CB-CD1 4.06Å; R182-L232 HydrophobicContact CB-CG 4.47Å; R182-L232 HydrophobicContact CG-CD1 4.08Å; R182-L232 HydrophobicContact CG-CD2 3.98Å; R182-L232 HydrophobicContact CG-CG 4.05Å; L232-A234 PolarHBondContact O-N 3.25Å; L232-A234 VanDerWaalsContact O-N 3.12Å
233E84.6Confident85.3Confident183 Ų18388.1 Ų88.186%0.85547%0.472SS*.  trans-68.5108.7167.9-65.1179.8177.700108.3Q235E233-Q235 PolarHBondContact O-N 3.11Å
234A79.8Confident85.3Confident84 Ų8483.7 Ų83.769%0.69445%0.453SS*.  trans-69.6101.8171.800000108.2L232 S236L232-A234 PolarHBondContact O-N 3.25Å; L232-A234 VanDerWaalsContact O-N 3.12Å; A234-S236 PolarHBondContact O-N 3.04Å
235Q76.4Confident85.3Confident176 Ų17687 Ų8782%0.82247%0.469SS*.  trans-64.6111.5169.7-66.9-175.9-2.900107.9E233 M237E233-Q235 PolarHBondContact O-N 3.11Å; Q235-M237 PolarHBondContact O-N 3.29Å
236S76.2Confident85.2Confident98 Ų9894.2 Ų94.269%0.68550%0.5SS*.  trans-61.2122.8174.761.40000108.5A234 H238A234-S236 PolarHBondContact O-N 3.04Å; S236-H238 PolarHBondContact O-N 3.44Å
237M69.8Low85.1Confident137 Ų13793.1 Ų93.168%0.67550%0.495SS*.  trans-73.719.2173.7-61.2-177.870.500112.8Q235 R349Q235-M237 PolarHBondContact O-N 3.29Å; M237-R349 PolarHBondContact O-NH1 3.01Å
238H74.9Confident84.9Confident85 Ų8598.3 Ų98.339%0.39452%0.518SS..PPolyproline II helixtrans-72.9126.3177.3-169.9-83.8000108.5S236 Q342S236-H238 PolarHBondContact O-N 3.44Å; H238-Q342 PolarHBondContact CD2-NE2 2.96Å
239Q76.3Confident84.5Confident68 Ų68101.4 Ų101.432%0.31855%0.547SS..PPolyproline II helixtrans-70.1136.3177.7-163.173.130.100108.9V241 L337 L354Q239-V241 PolarHBondContact O-N 3.38Å; Q239-V241 VanDerWaalsContact O-N 3.13Å; Q239-L337 HydrophobicContact CB-CD1 4.01Å; Q239-L337 HydrophobicContact CG-CD1 3.57Å; Q239-L354 HydrophobicContact CB-CD1 4.34Å; Q239-L354 HydrophobicContact CG-CD1 4.25Å
240V81.4Confident84.3Confident130 Ų130101.9 Ų101.979%0.78856%0.564SS**PPolyproline II helixtrans-64.5116.5172.2-178.30000108.2
241V84.6Confident84.3Confident66 Ų66101.2 Ų101.240%0.456%0.564SS.*PPolyproline II helixtrans-80.5126.5177.9179.40000108.2Q239Q239-V241 PolarHBondContact O-N 3.38Å; Q239-V241 VanDerWaalsContact O-N 3.13Å
242P81.8Confident84.4Confident29 Ų2996.2 Ų96.219%0.18854%0.542CS..PPolyproline II helixtrans-64140175.33.42.7000110.2S338P242-S338 WeakPolarHBondContact CD-OG 3.22Å; P242-S338 VanDerWaalsContact CG-OG 3.26Å; P242-S338 WeakPolarHBondContact CG-OG 3.35Å; P242-S338 WeakPolarHBondContact O-CB 3.35Å; P242-S338 PolarHBondContact O-OG 3.15Å
243P86.8Confident84.8Confident100 Ų10093.2 Ų93.265%0.64953%0.526SS*.PPolyproline II helixtrans-65.1139.4173.628-33.6000110.3
244L90.7Very high85.3Confident82 Ų8284.5 Ų84.543%0.42949%0.485SS..PPolyproline II helixtrans-68.4132.7171.5-71.6171.8000109.7S338 F339L244-S338 VanDerWaalsContact CD2-CB 3.49Å; L244-F339 HydrophobicContact CD2-CD1 3.81Å; L244-F339 HydrophobicContact CD2-CE1 3.35Å; L244-F339 HydrophobicContact CD2-CE2 4.37Å; L244-F339 HydrophobicContact CD2-CG 4.49Å; L244-F339 HydrophobicContact CD2-CZ 3.68Å
245Q92.3Very high86Confident88 Ų8883.3 Ų83.341%0.41147%0.469SS..EExtended strand (participates in β ladder)trans-110.7157.6175.1-63.2178.423.600109D252 F253Q245-D252 CarbonylContact O-C 3.58Å; Q245-D252 WeakPolarHBondContact O-CA 3.27Å; Q245-F253 HydrophobicContact CB-CD1 4.09Å; Q245-F253 HydrophobicContact CB-CD2 4.3Å; Q245-F253 HydrophobicContact CB-CE1 3.59Å; Q245-F253 HydrophobicContact CB-CE2 3.82Å; Q245-F253 HydrophobicContact CB-CG 4.44Å; Q245-F253 HydrophobicContact CB-CZ 3.44Å; Q245-F253 VanDerWaalsContact CB-CZ 3.44Å; Q245-F253 HydrophobicContact CG-CZ 4.38Å; Q245-F253 PolarHBondContact N-O 3.07Å; Q245-F253 WeakPolarHBondContact O-CD1 3.48Å; Q245-F253 PolarHBondContact O-N 3.48Å
246K91.7Very high87Confident151 Ų15175.7 Ų75.766%0.65744%0.436SS*.EExtended strand (participates in β ladder)trans-114.1132.3177.2-75.2-176175.7-171.70110.3V251 D252K246-V251 WeakPolarHBondContact CA-O 3.37Å; K246-D252 WeakPolarHBondContact CE-OD1 3.34Å; K246-D252 WeakPolarHBondContact CG-OD1 3.42Å
247D89.3Confident87.9Confident33 Ų3378 Ų7818%0.17644%0.436CS..  trans-73.9170.6173.3-70.5-60.7000111.8A249 G250 V251 F253 R270D247-A249 PolarHBondContact O-N 3.45Å; D247-A249 VanDerWaalsContact O-N 3.15Å; D247-G250 WeakPolarHBondContact O-CA 3.34Å; D247-G250 PolarHBondContact O-N 3.2Å; D247-V251 PolarHBondContact N-O 3.37Å; D247-F253 HydrophobicContact CB-CD1 4.23Å; D247-F253 HydrophobicContact CB-CE1 4.35Å; D247-F253 WeakPolarHBondContact OD1-CD1 3.48Å; D247-F253 WeakPolarHBondContact OD1-CE1 3.44Å; D247-F253 WeakPolarHBondContact OD2-CD1 3.46Å; D247-R270 IonicContact OD1-CZ 2.85Å; D247-R270 IonicContact OD1-NH1 3.85Å; D247-R270 PolarHBondContact OD1-NH1 3.37Å; D247-R270 IonicContact OD1-NH2 3.3Å; D247-R270 IonicContact OD2-CZ 3.53Å; D247-R270 IonicContact OD2-NH1 2.65Å; D247-R270 PolarHBondContact OD2-NH1 3.27Å
248D89.4Confident89.2Confident183 Ų18371.7 Ų71.798%0.97941%0.407SS*.THydrogen-bonded Turntrans-57.3-27.9172.4-60.2-33.8000112.8G250D248-G250 VanDerWaalsContact C-N 3.26Å; D248-G250 PolarHBondContact O-N 3.26Å
249A85.8Confident90.2Very high88 Ų8874.7 Ų74.773%0.72741%0.414SS*.THydrogen-bonded Turntrans-81.3-0.1174.400000113.6D247 V251D247-A249 PolarHBondContact O-N 3.45Å; D247-A249 VanDerWaalsContact O-N 3.15Å; A249-V251 VanDerWaalsContact C-N 3.31Å; A249-V251 HydrophobicContact CB-CG2 4.33Å; A249-V251 PolarHBondContact O-N 2.9Å
250G88.6Confident91.2Very high48 Ų4873.9 Ų73.950%0.49541%0.408SS..  trans76.810.5-178.300000115.1D247 D248D247-G250 WeakPolarHBondContact O-CA 3.34Å; D247-G250 PolarHBondContact O-N 3.2Å; D248-G250 VanDerWaalsContact C-N 3.26Å; D248-G250 PolarHBondContact O-N 3.26Å
251V91.1Very high91.9Very high49 Ų4972.6 Ų72.630%0.29739%0.392SS..  trans-81.9134.3179-179.80000110K246 D247 A249 R270 D271K246-V251 WeakPolarHBondContact CA-O 3.37Å; D247-V251 PolarHBondContact N-O 3.37Å; A249-V251 VanDerWaalsContact C-N 3.31Å; A249-V251 HydrophobicContact CB-CG2 4.33Å; A249-V251 PolarHBondContact O-N 2.9Å; V251-R270 HydrophobicContact CG1-CB 4.31Å; V251-D271 VanDerWaalsContact CG1-O 3.31Å; V251-D271 WeakPolarHBondContact CG1-O 3.42Å
252D93.9Very high92.4Very high56 Ų5673.4 Ų73.430%0.29940%0.401SS..EExtended strand (participates in β ladder)trans-73128.3174.9-68.4-34.5000110.1Q245 K246 D271 F339Q245-D252 CarbonylContact O-C 3.58Å; Q245-D252 WeakPolarHBondContact O-CA 3.27Å; K246-D252 WeakPolarHBondContact CE-OD1 3.34Å; K246-D252 WeakPolarHBondContact CG-OD1 3.42Å; D252-D271 PolarHBondContact O-N 3.48Å; D252-F339 HydrophobicContact CB-CE1 4.36Å
253F94.8Very high93.2Very high24 Ų2472 Ų7211%0.10539%0.392CS..EExtended strand (participates in β ladder)trans-133.4153.5175.175.5-87.7000112.1Q245 D247 T255 V268 V269 R270Q245-F253 HydrophobicContact CB-CD1 4.09Å; Q245-F253 HydrophobicContact CB-CD2 4.3Å; Q245-F253 HydrophobicContact CB-CE1 3.59Å; Q245-F253 HydrophobicContact CB-CE2 3.82Å; Q245-F253 HydrophobicContact CB-CG 4.44Å; Q245-F253 HydrophobicContact CB-CZ 3.44Å; Q245-F253 VanDerWaalsContact CB-CZ 3.44Å; Q245-F253 HydrophobicContact CG-CZ 4.38Å; Q245-F253 PolarHBondContact N-O 3.07Å; Q245-F253 WeakPolarHBondContact O-CD1 3.48Å; Q245-F253 PolarHBondContact O-N 3.48Å; D247-F253 HydrophobicContact CB-CD1 4.23Å; D247-F253 HydrophobicContact CB-CE1 4.35Å; D247-F253 WeakPolarHBondContact OD1-CD1 3.48Å; D247-F253 WeakPolarHBondContact OD1-CE1 3.44Å; D247-F253 WeakPolarHBondContact OD2-CD1 3.46Å; F253-T255 HydrophobicContact CD2-CG2 3.82Å; F253-T255 HydrophobicContact CE2-CG2 3.72Å; F253-V268 HydrophobicContact CB-CG1 4.25Å; F253-V268 HydrophobicContact CD2-CG1 3.76Å; F253-V268 HydrophobicContact CE2-CG1 4.5Å; F253-V268 HydrophobicContact CG-CG1 4.27Å; F253-V269 CarbonylContact C-O 3.59Å; F253-V269 WeakPolarHBondContact CA-O 3.45Å; F253-V269 WeakPolarHBondContact CB-O 3.27Å; F253-R270 HydrophobicContact CB-CG 3.98Å
254S95.6Very high93.7Very high0 Ų075 Ų750%039%0.39CS..EExtended strand (participates in β ladder)trans-124.9145.2172.563.80000110.5V269 A335 F339S254-V269 PolarHBondContact N-O 2.94Å; S254-V269 PolarHBondContact O-N 3.32Å; S254-A335 WeakPolarHBondContact OG-CB 3.15Å; S254-A335 PolarHBondContact OG-O 2.98Å; S254-F339 WeakPolarHBondContact OG-CE2 3.48Å
255T95.3Very high93.9Very high59 Ų5971.4 Ų71.436%0.36237%0.373SS..EExtended strand (participates in β ladder)trans-119.2137.2178.458.50000110.1F253 V267 V268F253-T255 HydrophobicContact CD2-CG2 3.82Å; F253-T255 HydrophobicContact CE2-CG2 3.72Å; T255-V267 WeakPolarHBondContact CA-O 3.42Å; T255-V268 HydrophobicContact CG2-CB 4.47Å; T255-V268 HydrophobicContact CG2-CG1 4.26Å; T255-V268 HydrophobicContact CG2-CG2 4.03Å
256A96.1Very high94.2Very high15 Ų1569.7 Ų69.712%0.12437%0.37CS..EExtended strand (participates in β ladder)trans-149.8158.3175.300000112.3S266 V267 A331 R334 A335A256-S266 WeakPolarHBondContact O-CA 3.49Å; A256-V267 PolarHBondContact N-O 2.8Å; A256-V267 VanDerWaalsContact N-O 3.13Å; A256-V267 PolarHBondContact O-N 3.14Å; A256-A331 WeakPolarHBondContact CB-O 3.49Å; A256-R334 HydrophobicContact CB-CB 3.62Å; A256-A335 HydrophobicContact CB-CB 3.78Å
257E96.2Very high94.4Very high147 Ų14762.5 Ų62.569%0.68734%0.339SS*.EExtended strand (participates in β ladder)trans-114.8147.3178.2-62.2-172.8171.700112G265 R334E257-G265 CarbonylContact C-O 3.5Å; E257-G265 WeakPolarHBondContact CA-O 3.32Å; E257-R334 WeakPolarHBondContact O-CD 3.22Å; E257-R334 PolarHBondContact O-NH1 3.21Å
258G96.2Very high94.7Very high5 Ų562.7 Ų62.75%0.05234%0.341CS..EExtended strand (participates in β ladder)trans-135.6147.117700000111.6G265 A327G258-G265 PolarHBondContact N-O 2.96Å; G258-G265 PolarHBondContact O-N 3.43Å; G258-A327 WeakPolarHBondContact CA-O 3.46Å
259R96.4Very high95Very high147 Ų14754 Ų5456%0.55530%0.295SS*.EExtended strand (participates in β ladder)trans-134.4136.5177.5-175-179.6175.1-175.9-1.8110.2S263 R264R259-S263 WeakPolarHBondContact CA-O 3.26Å; R259-S263 WeakPolarHBondContact CG-O 3.31Å; R259-R264 HydrophobicContact CG-CG 4.39Å
260R97.2Very high95.5Very high52 Ų5254.2 Ų54.220%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-144.8125.1170.3-175.3176.7-173.7-164.711.3110S262 S263 S322 A327 D357R260-S262 PolarHBondContact O-N 3.2Å; R260-S262 VanDerWaalsContact O-N 3.15Å; R260-S263 PolarHBondContact N-O 2.92Å; R260-S263 PolarHBondContact O-N 3.39Å; R260-S322 PolarHBondContact NH1-O 3.43Å; R260-A327 HydrophobicContact CB-CB 4.09Å; R260-D357 IonicContact NE-OD2 3.26Å
261K96.1Very high95.6Very high102 Ų10253.1 Ų53.144%0.44326%0.26SS..THydrogen-bonded Turntrans52.1-117.4-172.6-59.3178.3-179.2173.90110.4
262S96.1Very high95.4Very high84 Ų8456.4 Ų56.459%0.58728%0.283SS*.THydrogen-bonded Turntrans-97.2-2.1176.648.40000114.1R260 G319R260-S262 PolarHBondContact O-N 3.2Å; R260-S262 VanDerWaalsContact O-N 3.15Å; S262-G319 VanDerWaalsContact OG-CA 3.23Å; S262-G319 WeakPolarHBondContact OG-CA 3.38Å
263S97.4Very high95Very high0 Ų054.8 Ų54.80%028%0.28CS..EExtended strand (participates in β ladder)trans-86.9136.8177.4-60.20000111.3R259 R260 S317 G318 G319 S323 Q324R259-S263 WeakPolarHBondContact CA-O 3.26Å; R259-S263 WeakPolarHBondContact CG-O 3.31Å; R260-S263 PolarHBondContact N-O 2.92Å; R260-S263 PolarHBondContact O-N 3.39Å; S263-S317 WeakPolarHBondContact CA-O 3.36Å; S263-G318 PolarHBondContact OG-O 2.95Å; S263-G319 WeakPolarHBondContact OG-CA 3.24Å; S263-S323 WeakPolarHBondContact OG-CB 3.13Å; S263-S323 PolarHBondContact OG-OG 2.9Å; S263-Q324 WeakPolarHBondContact OG-CG 3.41Å; S263-Q324 PolarHBondContact OG-N 2.82Å
264R97.3Very high94.8Very high163 Ų16358 Ų5862%0.61531%0.311SS*.EExtended strand (participates in β ladder)trans-120.3134.3170.5-65.5179.7-179.8178.7-1108.3R259 V316 S317R259-R264 HydrophobicContact CG-CG 4.39Å; R264-V316 WeakPolarHBondContact O-CG2 3.27Å; R264-S317 PolarHBondContact N-O 2.74Å; R264-S317 PolarHBondContact O-N 2.66Å
265G96.1Very high94.6Very high6 Ų659.6 Ų59.66%0.06233%0.328CS..EExtended strand (participates in β ladder)trans-135.2141.8177.300000111.2E257 G258 S315E257-G265 CarbonylContact C-O 3.5Å; E257-G265 WeakPolarHBondContact CA-O 3.32Å; G258-G265 PolarHBondContact N-O 2.96Å; G258-G265 PolarHBondContact O-N 3.43Å; G265-S315 CarbonylContact C-O 3.55Å; G265-S315 WeakPolarHBondContact CA-O 3.39Å
266S97Very high94.5Very high51 Ų5165 Ų6536%0.35734%0.342SS..EExtended strand (participates in β ladder)trans-117147.9168.955.40000109A256 C314 S315A256-S266 WeakPolarHBondContact O-CA 3.49Å; S266-C314 WeakPolarHBondContact O-CA 3.35Å; S266-S315 PolarHBondContact N-O 2.91Å; S266-S315 PolarHBondContact O-N 2.92Å
267V96.8Very high94.5Very high1 Ų164.9 Ų64.91%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-136.3136.3178.9179.40000109.3T255 A256 V269 L312 D313 C314 L328 A331 I332T255-V267 WeakPolarHBondContact CA-O 3.42Å; A256-V267 PolarHBondContact N-O 2.8Å; A256-V267 VanDerWaalsContact N-O 3.13Å; A256-V267 PolarHBondContact O-N 3.14Å; V267-V269 HydrophobicContact CG1-CG2 3.79Å; V267-L312 HydrophobicContact CG1-CD2 4.18Å; V267-D313 WeakPolarHBondContact CA-O 3.11Å; V267-C314 HydrophobicContact CG2-CB 4.06Å; V267-C314 VanDerWaalsContact CG2-SG 3.57Å; V267-L328 HydrophobicContact CG2-CD2 3.7Å; V267-A331 HydrophobicContact CB-CB 4.13Å; V267-A331 HydrophobicContact CG2-CB 3.63Å; V267-I332 HydrophobicContact CB-CG1 4.48Å; V267-I332 HydrophobicContact CG1-CG1 4.07Å; V267-I332 HydrophobicContact CG2-CG1 4.04Å
268V95.9Very high94.5Very high36 Ų3658.9 Ų58.922%0.21831%0.312CS..EExtended strand (participates in β ladder)trans-104118.3166.3-172.60000107.2F253 T255 R270 D313F253-V268 HydrophobicContact CB-CG1 4.25Å; F253-V268 HydrophobicContact CD2-CG1 3.76Å; F253-V268 HydrophobicContact CE2-CG1 4.5Å; F253-V268 HydrophobicContact CG-CG1 4.27Å; T255-V268 HydrophobicContact CG2-CB 4.47Å; T255-V268 HydrophobicContact CG2-CG1 4.26Å; T255-V268 HydrophobicContact CG2-CG2 4.03Å; V268-R270 HydrophobicContact CG1-CG 4.28Å; V268-D313 HydrophobicContact CB-CB 4.46Å; V268-D313 PolarHBondContact N-O 3.27Å; V268-D313 PolarHBondContact O-N 3.05Å
269V95.5Very high94.5Very high0 Ų058.7 Ų58.70%031%0.31CS..EExtended strand (participates in β ladder)trans-105.6115.9177.3-176.40000107.7F253 S254 V267 F310 L312 A335 L336 F339F253-V269 CarbonylContact C-O 3.59Å; F253-V269 WeakPolarHBondContact CA-O 3.45Å; F253-V269 WeakPolarHBondContact CB-O 3.27Å; S254-V269 PolarHBondContact N-O 2.94Å; S254-V269 PolarHBondContact O-N 3.32Å; V267-V269 HydrophobicContact CG1-CG2 3.79Å; V269-F310 HydrophobicContact CG1-CB 3.77Å; V269-F310 HydrophobicContact CG1-CD1 3.72Å; V269-F310 HydrophobicContact CG1-CD2 4.48Å; V269-F310 HydrophobicContact CG1-CE1 4.45Å; V269-F310 HydrophobicContact CG1-CG 3.75Å; V269-L312 HydrophobicContact CB-CD2 4Å; V269-L312 HydrophobicContact CG1-CD2 3.78Å; V269-L312 HydrophobicContact CG2-CD2 3.48Å; V269-L312 VanDerWaalsContact CG2-CD2 3.48Å; V269-A335 HydrophobicContact CB-CB 4.15Å; V269-A335 HydrophobicContact CG2-CB 3.32Å; V269-L336 HydrophobicContact CG1-CD2 4.34Å; V269-F339 HydrophobicContact CB-CE2 4.08Å; V269-F339 HydrophobicContact CG1-CD2 4.35Å; V269-F339 HydrophobicContact CG1-CE2 3.73Å
270R94.9Very high94.5Very high94 Ų9455.1 Ų55.136%0.35530%0.302SS..EExtended strand (participates in β ladder)trans-103.2133.7177.5-59179.3-169.9-103.4-1.6109.5D247 V251 F253 V268 F310 D311D247-R270 IonicContact OD1-CZ 2.85Å; D247-R270 IonicContact OD1-NH1 3.85Å; D247-R270 PolarHBondContact OD1-NH1 3.37Å; D247-R270 IonicContact OD1-NH2 3.3Å; D247-R270 IonicContact OD2-CZ 3.53Å; D247-R270 IonicContact OD2-NH1 2.65Å; D247-R270 PolarHBondContact OD2-NH1 3.27Å; V251-R270 HydrophobicContact CG1-CB 4.31Å; F253-R270 HydrophobicContact CB-CG 3.98Å; V268-R270 HydrophobicContact CG1-CG 4.28Å; R270-F310 WeakPolarHBondContact O-CA 3.34Å; R270-D311 PolarHBondContact N-O 2.88Å; R270-D311 PolarHBondContact O-N 3.22Å; R270-D311 VanDerWaalsContact O-N 3.12Å
271D90.9Very high94.3Very high25 Ų2556 Ų5613%0.13433%0.326CS..SBendtrans-73.1164.8173.9-154.63.4000111.4V251 D252 G273 R309 F310 F339V251-D271 VanDerWaalsContact CG1-O 3.31Å; V251-D271 WeakPolarHBondContact CG1-O 3.42Å; D252-D271 PolarHBondContact O-N 3.48Å; D271-G273 VanDerWaalsContact C-N 3.31Å; D271-G273 PolarHBondContact O-N 2.81Å; D271-R309 IonicContact OD1-CZ 2.85Å; D271-R309 IonicContact OD1-NE 2.78Å; D271-R309 PolarHBondContact OD1-NE 3.43Å; D271-R309 IonicContact OD1-NH2 3.62Å; D271-R309 PolarHBondContact OD1-NH2 2.74Å; D271-R309 IonicContact OD2-CZ 3.57Å; D271-R309 IonicContact OD2-NE 3.59Å; D271-R309 IonicContact OD2-NH2 2.66Å; D271-R309 PolarHBondContact OD2-NH2 2.86Å; D271-F310 HydrophobicContact CB-CD1 4.43Å; D271-F310 HydrophobicContact CB-CE1 4.26Å; D271-F310 WeakPolarHBondContact OD1-CE1 3.42Å; D271-F339 HydrophobicContact CB-CE1 3.95Å; D271-F339 HydrophobicContact CB-CZ 4.41Å
272C87.9Confident94.2Very high117 Ų11756.4 Ų56.479%0.79133%0.33SS*.SBendtrans56.939179.8-600000114.3
273G85.6Confident94.2Very high22 Ų2255 Ų5523%0.22732%0.316CS..  trans-89.2178.2177.600000114.4D271 R309 D311D271-G273 VanDerWaalsContact C-N 3.31Å; D271-G273 PolarHBondContact O-N 2.81Å; G273-R309 WeakPolarHBondContact CA-O 3.47Å; G273-R309 PolarHBondContact N-O 3.35Å; G273-D311 WeakPolarHBondContact CA-OD1 3.41Å; G273-D311 WeakPolarHBondContact CA-OD2 3.16Å
274A90.6Very high94Very high92 Ų9256.9 Ų56.976%0.7633%0.325SS*.  trans-99.97.1173.900000113.1G308 D311A274-G308 CarbonylContact C-O 3.55Å; A274-D311 PolarHBondContact N-OD1 3.47Å; A274-D311 PolarHBondContact N-OD2 2.95Å
275G90.7Very high93.8Very high34 Ų3452.8 Ų52.835%0.35132%0.315SS..  trans84.621.3-174.900000113.4L277 G308 F310 D311G275-L277 PolarHBondContact O-N 3.15Å; G275-G308 PolarHBondContact N-O 3.02Å; G275-F310 VanDerWaalsContact CA-O 3.27Å; G275-F310 WeakPolarHBondContact CA-O 3.41Å; G275-D311 PolarHBondContact N-OD1 3.34Å
276R93.9Very high93.8Very high173 Ų17359.4 Ų59.465%0.65334%0.344SS*.  trans-75.2122.3-178.7-172.6178.3-179.1-176.5-0.6109.9T278 D311 L312R276-T278 HydrophobicContact CG-CG2 4.3Å; R276-D311 WeakPolarHBondContact CB-OD1 3.4Å; R276-D311 PolarHBondContact N-OD1 3.09Å; R276-D311 WeakPolarHBondContact O-CA 3.48Å; R276-L312 PolarHBondContact O-N 3Å
277L95.1Very high93.7Very high11 Ų1159.6 Ų59.66%0.05834%0.337CS..EExtended strand (participates in β ladder)trans-112.9107.3176.3-158.3165.4000109.8G275 V279 H284 L297 L312G275-L277 PolarHBondContact O-N 3.15Å; L277-V279 HydrophobicContact CD2-CG2 3.54Å; L277-H284 HydrophobicContact CB-CB 4.09Å; L277-H284 HydrophobicContact CD2-CB 3.48Å; L277-H284 VanDerWaalsContact CD2-CB 3.48Å; L277-H284 HydrophobicContact CG-CB 4.19Å; L277-H284 WeakPolarHBondContact O-CB 3.2Å; L277-H284 PolarHBondContact O-N 3.11Å; L277-H284 VanDerWaalsContact O-N 3.14Å; L277-H284 PolarHBondContact O-ND1 2.89Å; L277-L297 HydrophobicContact CD1-CB 4.14Å; L277-L297 HydrophobicContact CD1-CD1 4.26Å; L277-L297 HydrophobicContact CD2-CD1 4.26Å; L277-L312 WeakPolarHBondContact CA-O 3.42Å; L277-L312 HydrophobicContact CB-CB 4.43Å; L277-L312 HydrophobicContact CD1-CD1 3.72Å; L277-L312 HydrophobicContact CG-CB 3.93Å; L277-L312 HydrophobicContact CG-CD1 3.89Å; L277-L312 HydrophobicContact CG-CG 4.5Å
278T96.3Very high93.7Very high22 Ų2259.5 Ų59.514%0.13534%0.336CS..EExtended strand (participates in β ladder)trans-103.3137.2173.748.90000110.8R276 Q282 L312 D313 C314R276-T278 HydrophobicContact CG-CG2 4.3Å; T278-Q282 CarbonylContact C-O 3.51Å; T278-Q282 WeakPolarHBondContact CA-O 3.32Å; T278-L312 PolarHBondContact N-O 3.42Å; T278-L312 PolarHBondContact OG1-O 3.03Å; T278-D313 PolarHBondContact OG1-OD1 3Å; T278-C314 WeakPolarHBondContact O-CA 3.38Å; T278-C314 VanDerWaalsContact O-CB 3.22Å; T278-C314 WeakPolarHBondContact O-CB 3.41Å; T278-C314 PolarHBondContact O-N 3.1Å
279V96.6Very high93.7Very high0 Ų061.9 Ų61.90%035%0.352CS..EExtended strand (participates in β ladder)trans-124.4115.4175.6-173.60000108.6L277 G281 Q282 H284 Y287 F288 C314 V316 L328L277-V279 HydrophobicContact CD2-CG2 3.54Å; V279-G281 PolarHBondContact O-N 3.43Å; V279-Q282 PolarHBondContact N-O 3.4Å; V279-Q282 PolarHBondContact O-N 2.84Å; V279-H284 HydrophobicContact CG2-CB 4.18Å; V279-Y287 HydrophobicContact CB-CD1 4.11Å; V279-Y287 HydrophobicContact CB-CD2 4.38Å; V279-Y287 HydrophobicContact CB-CG 3.94Å; V279-Y287 HydrophobicContact CG1-CD1 3.59Å; V279-Y287 HydrophobicContact CG1-CD2 4.12Å; V279-Y287 HydrophobicContact CG1-CE1 3.71Å; V279-Y287 HydrophobicContact CG1-CE2 4.23Å; V279-Y287 HydrophobicContact CG1-CG 3.8Å; V279-F288 HydrophobicContact CG1-CE2 4.29Å; V279-F288 HydrophobicContact CG2-CD2 4.49Å; V279-F288 HydrophobicContact CG2-CE2 4.11Å; V279-C314 CarbonylContact C-O 3.51Å; V279-C314 WeakPolarHBondContact CA-O 3.4Å; V279-C314 HydrophobicContact CG2-CB 4.15Å; V279-V316 HydrophobicContact CG1-CG1 3.76Å; V279-L328 HydrophobicContact CG1-CD1 4.03Å; V279-L328 HydrophobicContact CG2-CD1 4.25Å
280N95.6Very high93.8Very high73 Ų7364.2 Ų64.239%0.3937%0.367SS..THydrogen-bonded Turntrans51.240.5-176.7-64.4-24.6000113Q282 Y287 C314 S315 V316N280-Q282 PolarHBondContact O-N 2.89Å; N280-Y287 HydrophobicContact CB-CE2 4.38Å; N280-Y287 PolarHBondContact ND2-OH 3.39Å; N280-C314 PolarHBondContact N-O 3.44Å; N280-S315 WeakPolarHBondContact OD1-CA 3.39Å; N280-V316 PolarHBondContact ND2-O 3.29Å; N280-V316 PolarHBondContact OD1-N 3Å; N280-V316 PolarHBondContact OD1-O 2.88Å
281G93.3Very high93.8Very high69 Ų6965 Ų6571%0.71138%0.377SS*.THydrogen-bonded Turntrans760.8-178.400000115.6V279V279-G281 PolarHBondContact O-N 3.43Å
282Q94.9Very high94.1Very high111 Ų11169.4 Ų69.452%0.51940%0.397SS..EExtended strand (participates in β ladder)trans-107.1155.8174.1-64-177.9-8.700110.8T278 V279 N280T278-Q282 CarbonylContact C-O 3.51Å; T278-Q282 WeakPolarHBondContact CA-O 3.32Å; V279-Q282 PolarHBondContact N-O 3.4Å; V279-Q282 PolarHBondContact O-N 2.84Å; N280-Q282 PolarHBondContact O-N 2.89Å
283D95.3Very high94.5Very high55 Ų5564 Ų6429%0.29436%0.36SS..EExtended strand (participates in β ladder)trans-69.3140.4174-179.336.4000111.1L285 H286 Y287D283-L285 PolarHBondContact O-N 3.42Å; D283-L285 VanDerWaalsContact O-N 3.16Å; D283-H286 PolarHBondContact O-N 3.47Å; D283-H286 IonicContact OD2-ND1 2.61Å; D283-Y287 PolarHBondContact O-N 3.23Å
284H93.4Very high95Very high40 Ų4065.7 Ų65.719%0.18536%0.36CS..Hα-helixtrans-57.4-30.7-175.670-65.9000114.1L277 V279 H286 F288L277-H284 HydrophobicContact CB-CB 4.09Å; L277-H284 HydrophobicContact CD2-CB 3.48Å; L277-H284 VanDerWaalsContact CD2-CB 3.48Å; L277-H284 HydrophobicContact CG-CB 4.19Å; L277-H284 WeakPolarHBondContact O-CB 3.2Å; L277-H284 PolarHBondContact O-N 3.11Å; L277-H284 VanDerWaalsContact O-N 3.14Å; L277-H284 PolarHBondContact O-ND1 2.89Å; V279-H284 HydrophobicContact CG2-CB 4.18Å; H284-H286 VanDerWaalsContact C-N 3.31Å; H284-H286 PolarHBondContact O-N 3.31Å; H284-F288 PolarHBondContact O-N 3.44Å
285L94.5Very high95.3Very high77 Ų7766.2 Ų66.240%0.40335%0.346SS..Hα-helixtrans-62.5-39.4175.1-68.3177.6000112.1D283 R294D283-L285 PolarHBondContact O-N 3.42Å; D283-L285 VanDerWaalsContact O-N 3.16Å; L285-R294 PolarHBondContact O-NH2 3.41Å
286H95.1Very high95.6Very high145 Ų14566.9 Ų66.967%0.67134%0.34SS*.Hα-helixtrans-78.8-41.6179.7-6488.9000111.2D283 H284D283-H286 PolarHBondContact O-N 3.47Å; D283-H286 IonicContact OD2-ND1 2.61Å; H284-H286 VanDerWaalsContact C-N 3.31Å; H284-H286 PolarHBondContact O-N 3.31Å
287Y95.8Very high95.6Very high54 Ų5458.7 Ų58.721%0.21231%0.309CS..Hα-helixtrans-68.3-42.2-179.3-166.6-87.5000112.5V279 N280 D283 P289 V316 Q324V279-Y287 HydrophobicContact CB-CD1 4.11Å; V279-Y287 HydrophobicContact CB-CD2 4.38Å; V279-Y287 HydrophobicContact CB-CG 3.94Å; V279-Y287 HydrophobicContact CG1-CD1 3.59Å; V279-Y287 HydrophobicContact CG1-CD2 4.12Å; V279-Y287 HydrophobicContact CG1-CE1 3.71Å; V279-Y287 HydrophobicContact CG1-CE2 4.23Å; V279-Y287 HydrophobicContact CG1-CG 3.8Å; N280-Y287 HydrophobicContact CB-CE2 4.38Å; N280-Y287 PolarHBondContact ND2-OH 3.39Å; D283-Y287 PolarHBondContact O-N 3.23Å; Y287-P289 VanDerWaalsContact O-CD 3.23Å; Y287-P289 WeakPolarHBondContact O-CD 3.34Å; Y287-V316 HydrophobicContact CE1-CG1 4.01Å; Y287-V316 WeakPolarHBondContact OH-CG1 3.39Å; Y287-Q324 PolarHBondContact OH-OE1 2.83Å
288F96.7Very high95.6Very high0 Ų062.1 Ų62.10%033%0.326CS..  trans-110.588.6176.1-67.6-65.1000110.3V279 H284 V290 D293 R294 L297 R321 Q324 A325 L328V279-F288 HydrophobicContact CG1-CE2 4.29Å; V279-F288 HydrophobicContact CG2-CD2 4.49Å; V279-F288 HydrophobicContact CG2-CE2 4.11Å; H284-F288 PolarHBondContact O-N 3.44Å; F288-V290 PolarHBondContact O-N 2.89Å; F288-D293 HydrophobicContact CB-CB 4.02Å; F288-D293 HydrophobicContact CD1-CB 3.67Å; F288-D293 HydrophobicContact CE1-CB 4.42Å; F288-D293 HydrophobicContact CG-CB 3.99Å; F288-R294 HydrophobicContact CB-CG 4.23Å; F288-R294 PolarHBondContact O-NE 3.43Å; F288-R294 PolarHBondContact O-NH2 3.25Å; F288-L297 HydrophobicContact CD2-CD1 3.61Å; F288-L297 HydrophobicContact CE2-CD1 3.77Å; F288-R321 HydrophobicContact CD1-CG 3.79Å; F288-R321 HydrophobicContact CE1-CG 4.1Å; F288-R321 WeakPolarHBondContact CE1-O 3.4Å; F288-Q324 HydrophobicContact CE1-CB 4.22Å; F288-Q324 HydrophobicContact CZ-CB 4.11Å; F288-A325 HydrophobicContact CD1-CB 4.47Å; F288-A325 HydrophobicContact CE1-CB 3.99Å; F288-A325 HydrophobicContact CZ-CB 4.12Å; F288-L328 HydrophobicContact CE2-CD1 3.94Å; F288-L328 HydrophobicContact CZ-CD1 4.13Å
289P95.5Very high95.6Very high85 Ų8565 Ų6555%0.55234%0.337SS*.  trans-68.7-2318025.8-34.4000113.2Y287 R294Y287-P289 VanDerWaalsContact O-CD 3.23Å; Y287-P289 WeakPolarHBondContact O-CD 3.34Å; P289-R294 PolarHBondContact O-NH2 3.16Å
290V96.8Very high95.6Very high49 Ų4965 Ų6530%0.29734%0.337SS..SBendtrans-89.7129.4-176.2175.50000110.9F288 Q292 D293 R294 R321F288-V290 PolarHBondContact O-N 2.89Å; V290-Q292 VanDerWaalsContact C-N 3.3Å; V290-Q292 HydrophobicContact CG1-CB 4.06Å; V290-Q292 PolarHBondContact O-N 3.48Å; V290-D293 PolarHBondContact O-N 3.32Å; V290-D293 VanDerWaalsContact O-N 3.1Å; V290-R294 PolarHBondContact O-N 2.95Å; V290-R321 VanDerWaalsContact CG2-NH1 3.32Å
291L96.2Very high95.6Very high110 Ų11062.2 Ų62.258%0.57632%0.322SS*.Hα-helixtrans-54.2-43.8-177.4-17666.2000112.9D293 R294 E295L291-D293 PolarHBondContact O-N 3.08Å; L291-D293 VanDerWaalsContact O-N 3.13Å; L291-R294 WeakPolarHBondContact O-CA 3.46Å; L291-R294 WeakPolarHBondContact O-CB 3.49Å; L291-R294 PolarHBondContact O-N 2.65Å; L291-E295 HydrophobicContact CG-CG 4.32Å; L291-E295 PolarHBondContact O-N 3.05Å
292Q97.1Very high95.7Very high119 Ų11964.7 Ų64.756%0.55632%0.315SS*.Hα-helixtrans-53.2-37.8179.5-174.8-179.727.100112.7V290 Q296V290-Q292 VanDerWaalsContact C-N 3.3Å; V290-Q292 HydrophobicContact CG1-CB 4.06Å; V290-Q292 PolarHBondContact O-N 3.48Å; Q292-Q296 WeakPolarHBondContact O-CG 3.39Å; Q292-Q296 PolarHBondContact O-N 3.21Å
293D96.7Very high95.7Very high2 Ų263.6 Ų63.61%0.01131%0.309CS..Hα-helixtrans-74.9-33.9-179-62.4-49.1000111.3F288 V290 L291 Q296 L297 R321 S322 A325F288-D293 HydrophobicContact CB-CB 4.02Å; F288-D293 HydrophobicContact CD1-CB 3.67Å; F288-D293 HydrophobicContact CE1-CB 4.42Å; F288-D293 HydrophobicContact CG-CB 3.99Å; V290-D293 PolarHBondContact O-N 3.32Å; V290-D293 VanDerWaalsContact O-N 3.1Å; L291-D293 PolarHBondContact O-N 3.08Å; L291-D293 VanDerWaalsContact O-N 3.13Å; D293-Q296 PolarHBondContact O-N 2.8Å; D293-L297 PolarHBondContact O-N 3.06Å; D293-R321 WeakPolarHBondContact OD2-CD 3.49Å; D293-R321 WeakPolarHBondContact OD2-CG 3.36Å; D293-R321 IonicContact OD2-CZ 2.73Å; D293-R321 IonicContact OD2-NE 3.38Å; D293-R321 PolarHBondContact OD2-NE 3.27Å; D293-R321 IonicContact OD2-NH2 2.8Å; D293-S322 VanDerWaalsContact OD1-CA 3.27Å; D293-S322 WeakPolarHBondContact OD1-CA 3.34Å; D293-A325 HydrophobicContact CB-CB 3.79Å
294R95.5Very high95.6Very high59 Ų5962.1 Ų62.122%0.22330%0.302CS..Hα-helixtrans-67.3-42.9174.1-58.4176.9-173.7166.30.8111.4L285 F288 P289 V290 L291 Q296 L297 M298L285-R294 PolarHBondContact O-NH2 3.41Å; F288-R294 HydrophobicContact CB-CG 4.23Å; F288-R294 PolarHBondContact O-NE 3.43Å; F288-R294 PolarHBondContact O-NH2 3.25Å; P289-R294 PolarHBondContact O-NH2 3.16Å; V290-R294 PolarHBondContact O-N 2.95Å; L291-R294 WeakPolarHBondContact O-CA 3.46Å; L291-R294 WeakPolarHBondContact O-CB 3.49Å; L291-R294 PolarHBondContact O-N 2.65Å; R294-Q296 PolarHBondContact O-N 3.08Å; R294-L297 WeakPolarHBondContact O-CB 3.27Å; R294-L297 PolarHBondContact O-N 2.83Å; R294-M298 WeakPolarHBondContact O-CG 3.5Å; R294-M298 PolarHBondContact O-N 3.49Å
295E96.5Very high95.6Very high102 Ų10263.3 Ų63.348%0.47733%0.326SS..Hα-helixtrans-56.7-38.9175.1-71.7174.4176.200111.8L291 L297 M298 F299L291-E295 HydrophobicContact CG-CG 4.32Å; L291-E295 PolarHBondContact O-N 3.05Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 2.98Å; E295-M298 PolarHBondContact O-N 3.39Å; E295-F299 WeakPolarHBondContact O-CB 3.4Å; E295-F299 PolarHBondContact O-N 3.44Å
296Q96.3Very high95.4Very high48 Ų4860.9 Ų60.922%0.22431%0.313CS..Hα-helixtrans-64-36.1176.4-67-59.2-5900112.8Q292 D293 R294 A325 R329Q292-Q296 WeakPolarHBondContact O-CG 3.39Å; Q292-Q296 PolarHBondContact O-N 3.21Å; D293-Q296 PolarHBondContact O-N 2.8Å; R294-Q296 PolarHBondContact O-N 3.08Å; Q296-A325 HydrophobicContact CB-CB 4.38Å; Q296-R329 WeakPolarHBondContact O-CB 3.47Å; Q296-R329 WeakPolarHBondContact O-CD 3.47Å; Q296-R329 WeakPolarHBondContact O-CG 3.43Å
297L95.1Very high95.3Very high1 Ų158.3 Ų58.31%0.00530%0.304CS..Hα-helixtrans-72.4-38177-62.6174.5000111.8L277 F288 D293 R294 E295 P300 L328 I332L277-L297 HydrophobicContact CD1-CB 4.14Å; L277-L297 HydrophobicContact CD1-CD1 4.26Å; L277-L297 HydrophobicContact CD2-CD1 4.26Å; F288-L297 HydrophobicContact CD2-CD1 3.61Å; F288-L297 HydrophobicContact CE2-CD1 3.77Å; D293-L297 PolarHBondContact O-N 3.06Å; R294-L297 WeakPolarHBondContact O-CB 3.27Å; R294-L297 PolarHBondContact O-N 2.83Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 2.98Å; L297-P300 WeakPolarHBondContact O-CD 3.19Å; L297-L328 HydrophobicContact CD2-CB 3.47Å; L297-L328 VanDerWaalsContact CD2-CB 3.47Å; L297-L328 HydrophobicContact CD2-CD1 4.01Å; L297-L328 HydrophobicContact CD2-CG 4.41Å; L297-I332 HydrophobicContact CD2-CD1 3.99Å
298M94.8Very high95Very high84 Ų8458 Ų5841%0.41432%0.317SS..Hα-helixtrans-74.9-32-178.5-67.2178.470.700113.1R294 E295 L301 Q302 L307R294-M298 WeakPolarHBondContact O-CG 3.5Å; R294-M298 PolarHBondContact O-N 3.49Å; E295-M298 PolarHBondContact O-N 3.39Å; M298-L301 PolarHBondContact O-N 2.92Å; M298-L301 VanDerWaalsContact O-N 3.08Å; M298-Q302 WeakPolarHBondContact O-CB 3.33Å; M298-Q302 PolarHBondContact O-N 3.12Å; M298-L307 HydrophobicContact CE-CD2 4.37Å
299F96.4Very high94.8Very high81 Ų8163 Ų6336%0.35534%0.336SS..Hα-helixtrans-48.1-49.6-174.9-175.6-118.2000115.2E295 L301 Q302 F303 L353E295-F299 WeakPolarHBondContact O-CB 3.4Å; E295-F299 PolarHBondContact O-N 3.44Å; F299-L301 PolarHBondContact O-N 2.83Å; F299-Q302 PolarHBondContact O-N 3.35Å; F299-F303 VanDerWaalsContact O-CB 3.27Å; F299-F303 WeakPolarHBondContact O-CB 3.34Å; F299-F303 PolarHBondContact O-N 2.88Å; F299-L353 HydrophobicContact CD1-CD2 3.3Å; F299-L353 HydrophobicContact CD1-CG 4.26Å; F299-L353 HydrophobicContact CE1-CD1 4.24Å; F299-L353 HydrophobicContact CE1-CD2 3.4Å; F299-L353 VanDerWaalsContact CE1-CD2 3.4Å; F299-L353 HydrophobicContact CE1-CG 3.9Å; F299-L353 HydrophobicContact CG-CD2 4.49Å
300P96.3Very high94.7Very high0 Ų059.1 Ų59.10%031%0.31CS..Hα-helixtrans-65.9-35.6178.925.1-35.1000114L297 C304 R329 I332 S333 L336 M348 L353L297-P300 WeakPolarHBondContact O-CD 3.19Å; P300-C304 PolarHBondContact O-N 3.13Å; P300-C304 PolarHBondContact O-SG 3.31Å; P300-R329 HydrophobicContact CG-CG 4.36Å; P300-I332 HydrophobicContact CB-CG2 4.34Å; P300-I332 HydrophobicContact CG-CB 4.23Å; P300-I332 HydrophobicContact CG-CG2 3.77Å; P300-S333 WeakPolarHBondContact CB-OG 3.48Å; P300-L336 HydrophobicContact CB-CD1 4.05Å; P300-M348 HydrophobicContact CB-CE 4.46Å; P300-L353 HydrophobicContact CB-CD1 4.35Å; P300-L353 HydrophobicContact CB-CD2 4.26Å
301L94.9Very high94.7Very high15 Ų1559.1 Ų59.18%0.07931%0.308CS..Hα-helixtrans-70-42.2176.6-65.6171.3000111.3M298 F299 C304 G305 L306 L307 F310 L312 L336M298-L301 PolarHBondContact O-N 2.92Å; M298-L301 VanDerWaalsContact O-N 3.08Å; F299-L301 PolarHBondContact O-N 2.83Å; L301-C304 PolarHBondContact O-N 2.8Å; L301-G305 PolarHBondContact O-N 2.87Å; L301-L306 PolarHBondContact O-N 3.23Å; L301-L307 HydrophobicContact CB-CD2 3.7Å; L301-L307 HydrophobicContact CB-CG 4.33Å; L301-L307 HydrophobicContact CD1-CD2 4.48Å; L301-F310 HydrophobicContact CD2-CD2 4.03Å; L301-L312 HydrophobicContact CD1-CD1 3.95Å; L301-L336 HydrophobicContact CD2-CD1 3.96Å; L301-L336 HydrophobicContact CD2-CD2 4Å
302Q95.8Very high94.7Very high121 Ų12154.1 Ų54.157%0.56528%0.282SS*.Hα-helixtrans-65.4-41.7177.1-174.41783.700111.6M298 F299 C304 G305 L307M298-Q302 WeakPolarHBondContact O-CB 3.33Å; M298-Q302 PolarHBondContact O-N 3.12Å; F299-Q302 PolarHBondContact O-N 3.35Å; Q302-C304 VanDerWaalsContact C-N 3.27Å; Q302-C304 PolarHBondContact O-N 2.85Å; Q302-G305 PolarHBondContact O-N 2.99Å; Q302-G305 VanDerWaalsContact O-N 3.11Å; Q302-L307 HydrophobicContact CB-CD1 4.02Å; Q302-L307 HydrophobicContact CB-CD2 4.42Å; Q302-L307 HydrophobicContact CB-CG 4.31Å; Q302-L307 HydrophobicContact CG-CD1 4.12Å
303F95.9Very high94.6Very high89 Ų8951.5 Ų51.539%0.3927%0.272SS..Hα-helixtrans-60-38179.6-176.9-95.7000112.3F299 A347 M348 A351 L353F299-F303 VanDerWaalsContact O-CB 3.27Å; F299-F303 WeakPolarHBondContact O-CB 3.34Å; F299-F303 PolarHBondContact O-N 2.88Å; F303-A347 HydrophobicContact CE1-CB 4.08Å; F303-A347 HydrophobicContact CZ-CB 4.13Å; F303-M348 HydrophobicContact CD1-CG 3.85Å; F303-M348 HydrophobicContact CE1-CB 4.45Å; F303-M348 HydrophobicContact CE1-CG 3.83Å; F303-A351 HydrophobicContact CD2-CB 4.45Å; F303-A351 HydrophobicContact CE1-CB 4.39Å; F303-A351 HydrophobicContact CE2-CB 3.8Å; F303-A351 HydrophobicContact CZ-CB 3.77Å; F303-L353 HydrophobicContact CB-CD1 4.17Å; F303-L353 HydrophobicContact CD1-CD1 3.96Å; F303-L353 HydrophobicContact CG-CD1 4.04Å
304C92.8Very high94.6Very high23 Ų2351.4 Ų51.416%0.15527%0.272CS..THydrogen-bonded Turntrans-87.8-3.3178.7-52.10000113.4P300 L301 Q302 L306 L340P300-C304 PolarHBondContact O-N 3.13Å; P300-C304 PolarHBondContact O-SG 3.31Å; L301-C304 PolarHBondContact O-N 2.8Å; Q302-C304 VanDerWaalsContact C-N 3.27Å; Q302-C304 PolarHBondContact O-N 2.85Å; C304-L306 VanDerWaalsContact C-N 3.3Å; C304-L306 HydrophobicContact CB-CB 4.5Å; C304-L306 HydrophobicContact CB-CD1 3.81Å; C304-L306 HydrophobicContact CB-CG 3.93Å; C304-L306 PolarHBondContact O-N 2.61Å; C304-L340 HydrophobicContact CB-CD2 4.15Å
305G91.9Very high94.7Very high66 Ų6651.5 Ų51.568%0.6828%0.282SS*.THydrogen-bonded Turntrans6825.7-174.300000114.2L301 Q302L301-G305 PolarHBondContact O-N 2.87Å; Q302-G305 PolarHBondContact O-N 2.99Å; Q302-G305 VanDerWaalsContact O-N 3.11Å
306L91.2Very high94.8Very high26 Ų2647 Ų4714%0.13626%0.261CS..  trans-110.427.7-174-58.5174.3000113L301 C304 G308 R309 F310 L340L301-L306 PolarHBondContact O-N 3.23Å; C304-L306 VanDerWaalsContact C-N 3.3Å; C304-L306 HydrophobicContact CB-CB 4.5Å; C304-L306 HydrophobicContact CB-CD1 3.81Å; C304-L306 HydrophobicContact CB-CG 3.93Å; C304-L306 PolarHBondContact O-N 2.61Å; L306-G308 PolarHBondContact O-N 3.34Å; L306-R309 PolarHBondContact O-N 2.94Å; L306-F310 HydrophobicContact CB-CD2 4.23Å; L306-F310 HydrophobicContact CB-CE2 3.72Å; L306-F310 HydrophobicContact CD1-CE2 3.61Å; L306-F310 HydrophobicContact CD1-CZ 4.09Å; L306-F310 HydrophobicContact CG-CE2 4.16Å; L306-L340 HydrophobicContact CD1-CD2 3.66Å
307L92.1Very high94.8Very high90 Ų9048.5 Ų48.547%0.47128%0.277SS..THydrogen-bonded Turntrans-63.3129.4175.7-73.5170.6000110.5M298 L301 Q302 R309M298-L307 HydrophobicContact CE-CD2 4.37Å; L301-L307 HydrophobicContact CB-CD2 3.7Å; L301-L307 HydrophobicContact CB-CG 4.33Å; L301-L307 HydrophobicContact CD1-CD2 4.48Å; Q302-L307 HydrophobicContact CB-CD1 4.02Å; Q302-L307 HydrophobicContact CB-CD2 4.42Å; Q302-L307 HydrophobicContact CB-CG 4.31Å; Q302-L307 HydrophobicContact CG-CD1 4.12Å; L307-R309 VanDerWaalsContact C-N 3.31Å; L307-R309 PolarHBondContact O-N 2.8Å
308G90.1Very high94.8Very high47 Ų4750.5 Ų50.549%0.48530%0.298SS..THydrogen-bonded Turntrans82.5-3.1177.100000115.8A274 G275 L306A274-G308 CarbonylContact C-O 3.55Å; G275-G308 PolarHBondContact N-O 3.02Å; L306-G308 PolarHBondContact O-N 3.34Å
309R92.8Very high94.8Very high106 Ų10648.7 Ų48.740%0.430%0.3SS..THydrogen-bonded Turntrans-82.2-36.5179.9179.5179.2170.8173.6-2.7113.9D271 G273 L306 L307D271-R309 IonicContact OD1-CZ 2.85Å; D271-R309 IonicContact OD1-NE 2.78Å; D271-R309 PolarHBondContact OD1-NE 3.43Å; D271-R309 IonicContact OD1-NH2 3.62Å; D271-R309 PolarHBondContact OD1-NH2 2.74Å; D271-R309 IonicContact OD2-CZ 3.57Å; D271-R309 IonicContact OD2-NE 3.59Å; D271-R309 IonicContact OD2-NH2 2.66Å; D271-R309 PolarHBondContact OD2-NH2 2.86Å; G273-R309 WeakPolarHBondContact CA-O 3.47Å; G273-R309 PolarHBondContact N-O 3.35Å; L306-R309 PolarHBondContact O-N 2.94Å; L307-R309 VanDerWaalsContact C-N 3.31Å; L307-R309 PolarHBondContact O-N 2.8Å
310F94.4Very high94.7Very high4 Ų446.5 Ų46.52%0.01830%0.3CS..  trans-109.3144.9-170.8-59.3-73.9000111.9V269 R270 D271 G275 L301 L306 L312 L336 F339V269-F310 HydrophobicContact CG1-CB 3.77Å; V269-F310 HydrophobicContact CG1-CD1 3.72Å; V269-F310 HydrophobicContact CG1-CD2 4.48Å; V269-F310 HydrophobicContact CG1-CE1 4.45Å; V269-F310 HydrophobicContact CG1-CG 3.75Å; R270-F310 WeakPolarHBondContact O-CA 3.34Å; D271-F310 HydrophobicContact CB-CD1 4.43Å; D271-F310 HydrophobicContact CB-CE1 4.26Å; D271-F310 WeakPolarHBondContact OD1-CE1 3.42Å; G275-F310 VanDerWaalsContact CA-O 3.27Å; G275-F310 WeakPolarHBondContact CA-O 3.41Å; L301-F310 HydrophobicContact CD2-CD2 4.03Å; L306-F310 HydrophobicContact CB-CD2 4.23Å; L306-F310 HydrophobicContact CB-CE2 3.72Å; L306-F310 HydrophobicContact CD1-CE2 3.61Å; L306-F310 HydrophobicContact CD1-CZ 4.09Å; L306-F310 HydrophobicContact CG-CE2 4.16Å; F310-L312 HydrophobicContact CB-CD2 4.45Å; F310-L336 HydrophobicContact CD2-CD2 3.68Å; F310-L336 HydrophobicContact CE2-CD2 3.49Å; F310-L336 VanDerWaalsContact CE2-CD2 3.49Å; F310-L336 HydrophobicContact CG-CD2 4.43Å; F310-L336 HydrophobicContact CZ-CD2 4.16Å; F310-F339 HydrophobicContact CD1-CD2 4.47Å; F310-F339 HydrophobicContact CD1-CE2 4.4Å; F310-F339 HydrophobicContact CE1-CB 4.24Å; F310-F339 HydrophobicContact CE1-CD1 4.13Å; F310-F339 AromaticContact CE1-CD2 3.74Å; F310-F339 HydrophobicContact CE1-CD2 3.74Å; F310-F339 HydrophobicContact CE1-CE1 4.41Å; F310-F339 HydrophobicContact CE1-CE2 4.02Å; F310-F339 AromaticContact CE1-CG 3.79Å; F310-F339 HydrophobicContact CE1-CG 3.79Å; F310-F339 HydrophobicContact CE1-CZ 4.35Å; F310-F339 HydrophobicContact CZ-CB 3.92Å; F310-F339 HydrophobicContact CZ-CD2 4.01Å; F310-F339 AromaticContact CZ-CG 3.97Å; F310-F339 HydrophobicContact CZ-CG 3.97Å
311D95.3Very high94.6Very high48 Ų4852.1 Ų52.126%0.25732%0.322SS..EExtended strand (participates in β ladder)trans-95.2130.6164.1-72.7-17.7000109.3R270 G273 A274 G275 R276R270-D311 PolarHBondContact N-O 2.88Å; R270-D311 PolarHBondContact O-N 3.22Å; R270-D311 VanDerWaalsContact O-N 3.12Å; G273-D311 WeakPolarHBondContact CA-OD1 3.41Å; G273-D311 WeakPolarHBondContact CA-OD2 3.16Å; A274-D311 PolarHBondContact N-OD1 3.47Å; A274-D311 PolarHBondContact N-OD2 2.95Å; G275-D311 PolarHBondContact N-OD1 3.34Å; R276-D311 WeakPolarHBondContact CB-OD1 3.4Å; R276-D311 PolarHBondContact N-OD1 3.09Å; R276-D311 WeakPolarHBondContact O-CA 3.48Å
312L96Very high94.7Very high5 Ų554 Ų543%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-116114.9-173-62.6-178.7000109.5V267 V269 R276 L277 T278 L301 F310 I332V267-L312 HydrophobicContact CG1-CD2 4.18Å; V269-L312 HydrophobicContact CB-CD2 4Å; V269-L312 HydrophobicContact CG1-CD2 3.78Å; V269-L312 HydrophobicContact CG2-CD2 3.48Å; V269-L312 VanDerWaalsContact CG2-CD2 3.48Å; R276-L312 PolarHBondContact O-N 3Å; L277-L312 WeakPolarHBondContact CA-O 3.42Å; L277-L312 HydrophobicContact CB-CB 4.43Å; L277-L312 HydrophobicContact CD1-CD1 3.72Å; L277-L312 HydrophobicContact CG-CB 3.93Å; L277-L312 HydrophobicContact CG-CD1 3.89Å; L277-L312 HydrophobicContact CG-CG 4.5Å; T278-L312 PolarHBondContact N-O 3.42Å; T278-L312 PolarHBondContact OG1-O 3.03Å; L301-L312 HydrophobicContact CD1-CD1 3.95Å; F310-L312 HydrophobicContact CB-CD2 4.45Å; L312-I332 HydrophobicContact CD1-CD1 4.02Å; L312-I332 HydrophobicContact CD1-CG1 4.26Å; L312-I332 HydrophobicContact CD1-CG2 4.41Å
313D96.3Very high94.7Very high65 Ų6548.5 Ų48.535%0.34831%0.311SS..EExtended strand (participates in β ladder)trans-105.7110.8169.2-164.716.8000110.4V267 V268 T278V267-D313 WeakPolarHBondContact CA-O 3.11Å; V268-D313 HydrophobicContact CB-CB 4.46Å; V268-D313 PolarHBondContact N-O 3.27Å; V268-D313 PolarHBondContact O-N 3.05Å; T278-D313 PolarHBondContact OG1-OD1 3Å
314C96.9Very high94.8Very high0 Ų045.6 Ų45.60%030%0.298CS..EExtended strand (participates in β ladder)trans-109.7131.2-171.1-57.40000110.6S266 V267 T278 V279 N280 L328S266-C314 WeakPolarHBondContact O-CA 3.35Å; V267-C314 HydrophobicContact CG2-CB 4.06Å; V267-C314 VanDerWaalsContact CG2-SG 3.57Å; T278-C314 WeakPolarHBondContact O-CA 3.38Å; T278-C314 VanDerWaalsContact O-CB 3.22Å; T278-C314 WeakPolarHBondContact O-CB 3.41Å; T278-C314 PolarHBondContact O-N 3.1Å; V279-C314 CarbonylContact C-O 3.51Å; V279-C314 WeakPolarHBondContact CA-O 3.4Å; V279-C314 HydrophobicContact CG2-CB 4.15Å; N280-C314 PolarHBondContact N-O 3.44Å; C314-L328 HydrophobicContact CB-CD1 4.14Å; C314-L328 HydrophobicContact CB-CD2 3.73Å
315S97.5Very high95Very high61 Ų6144.5 Ų44.543%0.42729%0.291SS..EExtended strand (participates in β ladder)trans-114.4125.8168.3-70.50000109.8G265 S266 N280G265-S315 CarbonylContact C-O 3.55Å; G265-S315 WeakPolarHBondContact CA-O 3.39Å; S266-S315 PolarHBondContact N-O 2.91Å; S266-S315 PolarHBondContact O-N 2.92Å; N280-S315 WeakPolarHBondContact OD1-CA 3.39Å
316V97.5Very high95.3Very high8 Ų841.5 Ų41.55%0.04826%0.261CS..EExtended strand (participates in β ladder)trans-136.3136.6-177.973.20000112.3R264 V279 N280 Y287 Q324 L328R264-V316 WeakPolarHBondContact O-CG2 3.27Å; V279-V316 HydrophobicContact CG1-CG1 3.76Å; N280-V316 PolarHBondContact ND2-O 3.29Å; N280-V316 PolarHBondContact OD1-N 3Å; N280-V316 PolarHBondContact OD1-O 2.88Å; Y287-V316 HydrophobicContact CE1-CG1 4.01Å; Y287-V316 WeakPolarHBondContact OH-CG1 3.39Å; V316-Q324 HydrophobicContact CG1-CB 4.33Å; V316-Q324 HydrophobicContact CG1-CG 4.41Å; V316-Q324 HydrophobicContact CG2-CB 3.75Å; V316-Q324 HydrophobicContact CG2-CG 3.77Å; V316-L328 HydrophobicContact CB-CD1 4.25Å; V316-L328 HydrophobicContact CB-CD2 4.11Å; V316-L328 HydrophobicContact CB-CG 4.2Å; V316-L328 HydrophobicContact CG1-CD1 4.29Å; V316-L328 HydrophobicContact CG2-CD2 4.46Å; V316-L328 HydrophobicContact CG2-CG 4.25Å
317S96.5Very high95.6Very high79 Ų7940.3 Ų40.355%0.55225%0.254SS*.EExtended strand (participates in β ladder)trans-137.4150.518063.70000112.6S263 R264S263-S317 WeakPolarHBondContact CA-O 3.36Å; R264-S317 PolarHBondContact N-O 2.74Å; R264-S317 PolarHBondContact O-N 2.66Å
318G94.9Very high95.8Very high43 Ų4336 Ų3644%0.44323%0.232SC..SBendtrans73.8171.617600000115.7S263 Q324S263-G318 PolarHBondContact OG-O 2.95Å; G318-Q324 WeakPolarHBondContact O-CG 3.44Å; G318-Q324 PolarHBondContact O-NE2 2.84Å; G318-Q324 VanDerWaalsContact O-NE2 3.16Å
319G94.8Very high96.2Very high45 Ų4536.5 Ų36.546%0.46422%0.219SC..SBendtrans65.7-146.3-179.900000113.9S262 S263S262-G319 VanDerWaalsContact OG-CA 3.23Å; S262-G319 WeakPolarHBondContact OG-CA 3.38Å; S263-G319 WeakPolarHBondContact OG-CA 3.24Å
320G94.9Very high96.4Very high35 Ų3531.9 Ų31.936%0.36120%0.202SC..  trans-130.7175.5178.400000112.2S322 S323 Q324G320-S322 PolarHBondContact O-N 2.94Å; G320-S323 PolarHBondContact N-OG 2.82Å; G320-S323 PolarHBondContact O-N 2.83Å; G320-S323 PolarHBondContact O-OG 3.26Å; G320-Q324 WeakPolarHBondContact O-CG 3.27Å; G320-Q324 PolarHBondContact O-N 2.94Å
321R94.9Very high96.5Very high119 Ų11931.7 Ų31.745%0.44920%0.201SC..Hα-helixtrans-45.1-55.8-171.8-167.5-175.468-147.41.2114.7F288 V290 D293 S323 Q324 A325F288-R321 HydrophobicContact CD1-CG 3.79Å; F288-R321 HydrophobicContact CE1-CG 4.1Å; F288-R321 WeakPolarHBondContact CE1-O 3.4Å; V290-R321 VanDerWaalsContact CG2-NH1 3.32Å; D293-R321 WeakPolarHBondContact OD2-CD 3.49Å; D293-R321 WeakPolarHBondContact OD2-CG 3.36Å; D293-R321 IonicContact OD2-CZ 2.73Å; D293-R321 IonicContact OD2-NE 3.38Å; D293-R321 PolarHBondContact OD2-NE 3.27Å; D293-R321 IonicContact OD2-NH2 2.8Å; R321-S323 PolarHBondContact O-N 3.39Å; R321-Q324 WeakPolarHBondContact O-CB 3.47Å; R321-Q324 PolarHBondContact O-N 3.31Å; R321-A325 PolarHBondContact O-N 3.36Å
322S96.3Very high96.6Very high53 Ų5329.4 Ų29.437%0.37119%0.189SC..Hα-helixtrans-72.6-25.9-177.961.60000114.4R260 D293 G320 G326R260-S322 PolarHBondContact NH1-O 3.43Å; D293-S322 VanDerWaalsContact OD1-CA 3.27Å; D293-S322 WeakPolarHBondContact OD1-CA 3.34Å; G320-S322 PolarHBondContact O-N 2.94Å; S322-G326 PolarHBondContact O-N 2.8Å
323S96.7Very high96.6Very high7 Ų729.1 Ų29.15%0.04919%0.188CC..Hα-helixtrans-75.2-35.2172.661.90000111.5S263 G320 R321 A327S263-S323 WeakPolarHBondContact OG-CB 3.13Å; S263-S323 PolarHBondContact OG-OG 2.9Å; G320-S323 PolarHBondContact N-OG 2.82Å; G320-S323 PolarHBondContact O-N 2.83Å; G320-S323 PolarHBondContact O-OG 3.26Å; R321-S323 PolarHBondContact O-N 3.39Å; S323-A327 WeakPolarHBondContact O-CB 3.27Å; S323-A327 PolarHBondContact O-N 2.87Å
324Q97.4Very high96.5Very high27 Ų2729.3 Ų29.313%0.12618%0.183CC..Hα-helixtrans-63.7-50.1173.6-69.2175-20.700111.3S263 Y287 F288 V316 G318 G320 R321 G326 A327 L328S263-Q324 WeakPolarHBondContact OG-CG 3.41Å; S263-Q324 PolarHBondContact OG-N 2.82Å; Y287-Q324 PolarHBondContact OH-OE1 2.83Å; F288-Q324 HydrophobicContact CE1-CB 4.22Å; F288-Q324 HydrophobicContact CZ-CB 4.11Å; V316-Q324 HydrophobicContact CG1-CB 4.33Å; V316-Q324 HydrophobicContact CG1-CG 4.41Å; V316-Q324 HydrophobicContact CG2-CB 3.75Å; V316-Q324 HydrophobicContact CG2-CG 3.77Å; G318-Q324 WeakPolarHBondContact O-CG 3.44Å; G318-Q324 PolarHBondContact O-NE2 2.84Å; G318-Q324 VanDerWaalsContact O-NE2 3.16Å; G320-Q324 WeakPolarHBondContact O-CG 3.27Å; G320-Q324 PolarHBondContact O-N 2.94Å; R321-Q324 WeakPolarHBondContact O-CB 3.47Å; R321-Q324 PolarHBondContact O-N 3.31Å; Q324-G326 VanDerWaalsContact C-N 3.31Å; Q324-G326 PolarHBondContact O-N 2.88Å; Q324-A327 WeakPolarHBondContact O-CB 3.48Å; Q324-A327 PolarHBondContact O-N 3.49Å; Q324-A327 VanDerWaalsContact O-N 3.08Å; Q324-L328 PolarHBondContact O-N 2.83Å
325A97.3Very high96.5Very high0 Ų029.3 Ų29.30%018%0.183CC..Hα-helixtrans-57-43.4176.900000112.4F288 D293 Q296 R321 L328 R329F288-A325 HydrophobicContact CD1-CB 4.47Å; F288-A325 HydrophobicContact CE1-CB 3.99Å; F288-A325 HydrophobicContact CZ-CB 4.12Å; D293-A325 HydrophobicContact CB-CB 3.79Å; Q296-A325 HydrophobicContact CB-CB 4.38Å; R321-A325 PolarHBondContact O-N 3.36Å; A325-L328 PolarHBondContact O-N 2.94Å; A325-R329 WeakPolarHBondContact O-CB 3.48Å; A325-R329 PolarHBondContact O-N 2.98Å
326G97.2Very high96.3Very high4 Ų426.4 Ų26.44%0.04116%0.163CC..Hα-helixtrans-71.9-27.4176.900000114.6S322 Q324 L330S322-G326 PolarHBondContact O-N 2.8Å; Q324-G326 VanDerWaalsContact C-N 3.31Å; Q324-G326 PolarHBondContact O-N 2.88Å; G326-L330 PolarHBondContact O-N 3.13Å
327A97.7Very high96.1Very high0 Ų026.5 Ų26.50%016%0.163CC..Hα-helixtrans-69.5-44.4172.300000110.6G258 R260 S323 Q324 L330 A331G258-A327 WeakPolarHBondContact CA-O 3.46Å; R260-A327 HydrophobicContact CB-CB 4.09Å; S323-A327 WeakPolarHBondContact O-CB 3.27Å; S323-A327 PolarHBondContact O-N 2.87Å; Q324-A327 WeakPolarHBondContact O-CB 3.48Å; Q324-A327 PolarHBondContact O-N 3.49Å; Q324-A327 VanDerWaalsContact O-N 3.08Å; A327-L330 PolarHBondContact O-N 3.32Å; A327-A331 PolarHBondContact O-N 3.39Å; A327-A331 VanDerWaalsContact O-N 3.08Å
328L97.4Very high96Very high0 Ų023.5 Ų23.50%014%0.142CC..Hα-helixtrans-63.9-41.9175-70.7178.9000112.1V267 V279 F288 L297 C314 V316 Q324 A325 L330 A331 I332V267-L328 HydrophobicContact CG2-CD2 3.7Å; V279-L328 HydrophobicContact CG1-CD1 4.03Å; V279-L328 HydrophobicContact CG2-CD1 4.25Å; F288-L328 HydrophobicContact CE2-CD1 3.94Å; F288-L328 HydrophobicContact CZ-CD1 4.13Å; L297-L328 HydrophobicContact CD2-CB 3.47Å; L297-L328 VanDerWaalsContact CD2-CB 3.47Å; L297-L328 HydrophobicContact CD2-CD1 4.01Å; L297-L328 HydrophobicContact CD2-CG 4.41Å; C314-L328 HydrophobicContact CB-CD1 4.14Å; C314-L328 HydrophobicContact CB-CD2 3.73Å; V316-L328 HydrophobicContact CB-CD1 4.25Å; V316-L328 HydrophobicContact CB-CD2 4.11Å; V316-L328 HydrophobicContact CB-CG 4.2Å; V316-L328 HydrophobicContact CG1-CD1 4.29Å; V316-L328 HydrophobicContact CG2-CD2 4.46Å; V316-L328 HydrophobicContact CG2-CG 4.25Å; Q324-L328 PolarHBondContact O-N 2.83Å; A325-L328 PolarHBondContact O-N 2.94Å; L328-L330 VanDerWaalsContact C-N 3.27Å; L328-L330 PolarHBondContact O-N 2.92Å; L328-A331 WeakPolarHBondContact O-CB 3.42Å; L328-A331 PolarHBondContact O-N 3.27Å; L328-I332 VanDerWaalsContact O-CG1 3.27Å; L328-I332 WeakPolarHBondContact O-CG1 3.44Å; L328-I332 PolarHBondContact O-N 2.91Å
329R97.6Very high95.8Very high58 Ų5823.1 Ų23.122%0.21913%0.128CC..Hα-helixtrans-52-46.1173.5-177.7-174.678.1158.819112.3Q296 P300 A325 S333 L353Q296-R329 WeakPolarHBondContact O-CB 3.47Å; Q296-R329 WeakPolarHBondContact O-CD 3.47Å; Q296-R329 WeakPolarHBondContact O-CG 3.43Å; P300-R329 HydrophobicContact CG-CG 4.36Å; A325-R329 WeakPolarHBondContact O-CB 3.48Å; A325-R329 PolarHBondContact O-N 2.98Å; R329-S333 WeakPolarHBondContact O-CB 3.35Å; R329-S333 PolarHBondContact O-N 2.7Å; R329-S333 PolarHBondContact O-OG 3.5Å; R329-L353 HydrophobicContact CG-CD2 4.39Å
330L97.2Very high95.6Very high8 Ų822.2 Ų22.24%0.04211%0.113CC..Hα-helixtrans-66.9-41.2177.917963.6000111.7G326 A327 L328 S333 R334 L353 L354 P356G326-L330 PolarHBondContact O-N 3.13Å; A327-L330 PolarHBondContact O-N 3.32Å; L328-L330 VanDerWaalsContact C-N 3.27Å; L328-L330 PolarHBondContact O-N 2.92Å; L330-S333 PolarHBondContact O-N 3.24Å; L330-R334 HydrophobicContact CD1-CG 4.44Å; L330-R334 WeakPolarHBondContact O-CG 3.39Å; L330-R334 PolarHBondContact O-N 3.23Å; L330-L353 VanDerWaalsContact CD1-O 3.27Å; L330-L353 WeakPolarHBondContact CD1-O 3.45Å; L330-L354 WeakPolarHBondContact CD1-O 3.39Å; L330-P356 HydrophobicContact CD2-CB 3.98Å
331A96.8Very high95.5Very high0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-62.6-49.917700000111.5A256 V267 A327 L328 S333 R334 A335A256-A331 WeakPolarHBondContact CB-O 3.49Å; V267-A331 HydrophobicContact CB-CB 4.13Å; V267-A331 HydrophobicContact CG2-CB 3.63Å; A327-A331 PolarHBondContact O-N 3.39Å; A327-A331 VanDerWaalsContact O-N 3.08Å; L328-A331 WeakPolarHBondContact O-CB 3.42Å; L328-A331 PolarHBondContact O-N 3.27Å; A331-S333 VanDerWaalsContact C-N 3.33Å; A331-S333 PolarHBondContact O-N 2.62Å; A331-R334 PolarHBondContact O-N 3.32Å; A331-R334 VanDerWaalsContact O-N 3.16Å; A331-A335 PolarHBondContact O-N 3.13Å
332I96.3Very high95.2Very high0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-55.6-49.6175.2-64.6164.6000109.8V267 L297 P300 L312 L328 R334 A335 L336V267-I332 HydrophobicContact CB-CG1 4.48Å; V267-I332 HydrophobicContact CG1-CG1 4.07Å; V267-I332 HydrophobicContact CG2-CG1 4.04Å; L297-I332 HydrophobicContact CD2-CD1 3.99Å; P300-I332 HydrophobicContact CB-CG2 4.34Å; P300-I332 HydrophobicContact CG-CB 4.23Å; P300-I332 HydrophobicContact CG-CG2 3.77Å; L312-I332 HydrophobicContact CD1-CD1 4.02Å; L312-I332 HydrophobicContact CD1-CG1 4.26Å; L312-I332 HydrophobicContact CD1-CG2 4.41Å; L328-I332 VanDerWaalsContact O-CG1 3.27Å; L328-I332 WeakPolarHBondContact O-CG1 3.44Å; L328-I332 PolarHBondContact O-N 2.91Å; I332-R334 VanDerWaalsContact C-N 3.26Å; I332-R334 PolarHBondContact O-N 2.92Å; I332-A335 PolarHBondContact O-N 2.78Å; I332-L336 HydrophobicContact CG2-CD1 3.79Å; I332-L336 HydrophobicContact CG2-CG 4.17Å; I332-L336 WeakPolarHBondContact O-CB 3.43Å; I332-L336 VanDerWaalsContact O-CG 3.27Å; I332-L336 WeakPolarHBondContact O-CG 3.48Å; I332-L336 PolarHBondContact O-N 3.23Å
333S96Very high94.9Very high0 Ų024.5 Ų24.50%013%0.128CC..Hα-helixtrans-58-38.5-179.6-57.40000112.7P300 R329 L330 A331 M348 L353 L354P300-S333 WeakPolarHBondContact CB-OG 3.48Å; R329-S333 WeakPolarHBondContact O-CB 3.35Å; R329-S333 PolarHBondContact O-N 2.7Å; R329-S333 PolarHBondContact O-OG 3.5Å; L330-S333 PolarHBondContact O-N 3.24Å; A331-S333 VanDerWaalsContact C-N 3.33Å; A331-S333 PolarHBondContact O-N 2.62Å; S333-M348 WeakPolarHBondContact O-CE 3.27Å; S333-L353 WeakPolarHBondContact CB-O 3.37Å; S333-L354 WeakPolarHBondContact O-CD2 3.4Å
334R95.6Very high94.7Very high69 Ų6928.1 Ų28.126%0.2614%0.144SC..Hα-helixtrans-74-38.8178.9-75.7171.4172.7-171.4-9.1112.7A256 E257 L330 A331 I332 L337 L354A256-R334 HydrophobicContact CB-CB 3.62Å; E257-R334 WeakPolarHBondContact O-CD 3.22Å; E257-R334 PolarHBondContact O-NH1 3.21Å; L330-R334 HydrophobicContact CD1-CG 4.44Å; L330-R334 WeakPolarHBondContact O-CG 3.39Å; L330-R334 PolarHBondContact O-N 3.23Å; A331-R334 PolarHBondContact O-N 3.32Å; A331-R334 VanDerWaalsContact O-N 3.16Å; I332-R334 VanDerWaalsContact C-N 3.26Å; I332-R334 PolarHBondContact O-N 2.92Å; R334-L337 WeakPolarHBondContact O-CB 3.4Å; R334-L337 PolarHBondContact O-N 2.9Å; R334-L354 HydrophobicContact CG-CD2 4.33Å
335A95.3Very high94.4Very high0 Ų027.4 Ų27.40%014%0.144CC..Hα-helixtrans-69.1-36.6177.400000111.8S254 A256 V269 A331 I332 L337 S338S254-A335 WeakPolarHBondContact OG-CB 3.15Å; S254-A335 PolarHBondContact OG-O 2.98Å; A256-A335 HydrophobicContact CB-CB 3.78Å; V269-A335 HydrophobicContact CB-CB 4.15Å; V269-A335 HydrophobicContact CG2-CB 3.32Å; A331-A335 PolarHBondContact O-N 3.13Å; I332-A335 PolarHBondContact O-N 2.78Å; A335-L337 PolarHBondContact O-N 3.37Å; A335-S338 PolarHBondContact O-N 2.92Å
336L94.4Very high94.2Very high0 Ų031.2 Ų31.20%016%0.161CC..Hα-helixtrans-60.6-26.8176.3-73.8173.2000113.3V269 P300 L301 F310 I332 S338 F339 L340V269-L336 HydrophobicContact CG1-CD2 4.34Å; P300-L336 HydrophobicContact CB-CD1 4.05Å; L301-L336 HydrophobicContact CD2-CD1 3.96Å; L301-L336 HydrophobicContact CD2-CD2 4Å; F310-L336 HydrophobicContact CD2-CD2 3.68Å; F310-L336 HydrophobicContact CE2-CD2 3.49Å; F310-L336 VanDerWaalsContact CE2-CD2 3.49Å; F310-L336 HydrophobicContact CG-CD2 4.43Å; F310-L336 HydrophobicContact CZ-CD2 4.16Å; I332-L336 HydrophobicContact CG2-CD1 3.79Å; I332-L336 HydrophobicContact CG2-CG 4.17Å; I332-L336 WeakPolarHBondContact O-CB 3.43Å; I332-L336 VanDerWaalsContact O-CG 3.27Å; I332-L336 WeakPolarHBondContact O-CG 3.48Å; I332-L336 PolarHBondContact O-N 3.23Å; L336-S338 PolarHBondContact O-N 3.08Å; L336-S338 VanDerWaalsContact O-N 3.14Å; L336-F339 PolarHBondContact O-N 2.95Å; L336-L340 HydrophobicContact CB-CD1 4.19Å; L336-L340 VanDerWaalsContact O-CG 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.21Å; L336-L340 PolarHBondContact O-N 2.84Å
337L93.8Very high94Very high9 Ų932.8 Ų32.85%0.04717%0.174CC..G310 helixtrans-57.4-29.6178.8-70.9174.9000113.7Q239 R334 A335 F339 L340 M348 L354Q239-L337 HydrophobicContact CB-CD1 4.01Å; Q239-L337 HydrophobicContact CG-CD1 3.57Å; R334-L337 WeakPolarHBondContact O-CB 3.4Å; R334-L337 PolarHBondContact O-N 2.9Å; A335-L337 PolarHBondContact O-N 3.37Å; L337-F339 PolarHBondContact O-N 3.02Å; L337-L340 PolarHBondContact O-N 2.82Å; L337-M348 HydrophobicContact CD2-SD 4.33Å; L337-L354 HydrophobicContact CD1-CD1 3.95Å; L337-L354 HydrophobicContact CD1-CD2 3.7Å; L337-L354 HydrophobicContact CD1-CG 4.46Å; L337-L354 HydrophobicContact CD2-CD1 3.99Å; L337-L354 HydrophobicContact CD2-CD2 4.27Å; L337-L354 HydrophobicContact CG-CD1 4.44Å; L337-L354 HydrophobicContact CG-CD2 4.01Å
338S92.5Very high93.8Very high16 Ų1632.8 Ų32.811%0.11217%0.174CC..G310 helixtrans-67-21.1178-55.80000113.3P242 L244 A335 L336P242-S338 WeakPolarHBondContact CD-OG 3.22Å; P242-S338 VanDerWaalsContact CG-OG 3.26Å; P242-S338 WeakPolarHBondContact CG-OG 3.35Å; P242-S338 WeakPolarHBondContact O-CB 3.35Å; P242-S338 PolarHBondContact O-OG 3.15Å; L244-S338 VanDerWaalsContact CD2-CB 3.49Å; A335-S338 PolarHBondContact O-N 2.92Å; L336-S338 PolarHBondContact O-N 3.08Å; L336-S338 VanDerWaalsContact O-N 3.14Å
339F91.6Very high93.6Very high35 Ų3536 Ų3615%0.15419%0.186CC..G310 helixtrans-104.6-3.1-177.8-57.4-71.7000113.3L244 D252 S254 V269 D271 F310 L336 L337L244-F339 HydrophobicContact CD2-CD1 3.81Å; L244-F339 HydrophobicContact CD2-CE1 3.35Å; L244-F339 HydrophobicContact CD2-CE2 4.37Å; L244-F339 HydrophobicContact CD2-CG 4.49Å; L244-F339 HydrophobicContact CD2-CZ 3.68Å; D252-F339 HydrophobicContact CB-CE1 4.36Å; S254-F339 WeakPolarHBondContact OG-CE2 3.48Å; V269-F339 HydrophobicContact CB-CE2 4.08Å; V269-F339 HydrophobicContact CG1-CD2 4.35Å; V269-F339 HydrophobicContact CG1-CE2 3.73Å; D271-F339 HydrophobicContact CB-CE1 3.95Å; D271-F339 HydrophobicContact CB-CZ 4.41Å; F310-F339 HydrophobicContact CD1-CD2 4.47Å; F310-F339 HydrophobicContact CD1-CE2 4.4Å; F310-F339 HydrophobicContact CE1-CB 4.24Å; F310-F339 HydrophobicContact CE1-CD1 4.13Å; F310-F339 AromaticContact CE1-CD2 3.74Å; F310-F339 HydrophobicContact CE1-CD2 3.74Å; F310-F339 HydrophobicContact CE1-CE1 4.41Å; F310-F339 HydrophobicContact CE1-CE2 4.02Å; F310-F339 AromaticContact CE1-CG 3.79Å; F310-F339 HydrophobicContact CE1-CG 3.79Å; F310-F339 HydrophobicContact CE1-CZ 4.35Å; F310-F339 HydrophobicContact CZ-CB 3.92Å; F310-F339 HydrophobicContact CZ-CD2 4.01Å; F310-F339 AromaticContact CZ-CG 3.97Å; F310-F339 HydrophobicContact CZ-CG 3.97Å; L336-F339 PolarHBondContact O-N 2.95Å; L337-F339 PolarHBondContact O-N 3.02Å
340L90.9Very high93.4Very high26 Ų2640.3 Ų40.314%0.13621%0.209CC..SBendtrans-108.7157.5-172.5-69.4173000111.8C304 L306 L336 L337 E344 M348C304-L340 HydrophobicContact CB-CD2 4.15Å; L306-L340 HydrophobicContact CD1-CD2 3.66Å; L336-L340 HydrophobicContact CB-CD1 4.19Å; L336-L340 VanDerWaalsContact O-CG 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.21Å; L336-L340 PolarHBondContact O-N 2.84Å; L337-L340 PolarHBondContact O-N 2.82Å; L340-E344 HydrophobicContact CB-CB 4.19Å; L340-E344 HydrophobicContact CD2-CB 4.29Å; L340-M348 HydrophobicContact CD1-SD 3.34Å; L340-M348 WeakPolarHBondContact CD1-SD 3.1Å
341S91.6Very high93.3Very high52 Ų5242 Ų4236%0.36422%0.224SC..  trans-70.4158.5169.365.70000111.6S343 E344 G345S341-S343 VanDerWaalsContact C-N 3.25Å; S341-S343 PolarHBondContact O-N 3.01Å; S341-S343 PolarHBondContact OG-OG 2.76Å; S341-S343 VanDerWaalsContact OG-OG 3.07Å; S341-E344 WeakPolarHBondContact CB-OE2 3.33Å; S341-E344 PolarHBondContact N-OE2 3.1Å; S341-E344 PolarHBondContact O-N 2.91Å; S341-E344 VanDerWaalsContact O-N 3.17Å; S341-E344 VanDerWaalsContact OG-CD 3.23Å; S341-E344 VanDerWaalsContact OG-CG 3.3Å; S341-E344 WeakPolarHBondContact OG-CG 3.41Å; S341-E344 PolarHBondContact OG-N 2.85Å; S341-E344 PolarHBondContact OG-OE2 2.93Å; S341-G345 PolarHBondContact O-N 3.48Å
342Q88.9Confident93.2Very high122 Ų12243.3 Ų43.357%0.5724%0.238SC*.Hα-helixtrans-57.3-38.2177.4-177.9173.3-10.500112.5H238 G345 E346H238-Q342 PolarHBondContact CD2-NE2 2.96Å; Q342-G345 PolarHBondContact O-N 3.02Å; Q342-E346 PolarHBondContact O-N 2.86Å
343S91.6Very high93.2Very high81 Ų8143.3 Ų43.357%0.56624%0.238SC*.Hα-helixtrans-64.1-39.9177.642.70000113.2S341 E346 A347S341-S343 VanDerWaalsContact C-N 3.25Å; S341-S343 PolarHBondContact O-N 3.01Å; S341-S343 PolarHBondContact OG-OG 2.76Å; S341-S343 VanDerWaalsContact OG-OG 3.07Å; S343-E346 PolarHBondContact O-N 3.39Å; S343-A347 PolarHBondContact O-N 2.79Å
344E91.6Very high93.1Very high84 Ų8443.5 Ų43.539%0.39324%0.239SC..Hα-helixtrans-70.3-37.5176.9-69.9163.4143.700111L340 S341 E346 A347 M348L340-E344 HydrophobicContact CB-CB 4.19Å; L340-E344 HydrophobicContact CD2-CB 4.29Å; S341-E344 WeakPolarHBondContact CB-OE2 3.33Å; S341-E344 PolarHBondContact N-OE2 3.1Å; S341-E344 PolarHBondContact O-N 2.91Å; S341-E344 VanDerWaalsContact O-N 3.17Å; S341-E344 VanDerWaalsContact OG-CD 3.23Å; S341-E344 VanDerWaalsContact OG-CG 3.3Å; S341-E344 WeakPolarHBondContact OG-CG 3.41Å; S341-E344 PolarHBondContact OG-N 2.85Å; S341-E344 PolarHBondContact OG-OE2 2.93Å; E344-E346 VanDerWaalsContact C-N 3.31Å; E344-E346 PolarHBondContact O-N 3.27Å; E344-A347 WeakPolarHBondContact O-CB 3.25Å; E344-A347 PolarHBondContact O-N 3.43Å; E344-A347 VanDerWaalsContact O-N 3.16Å; E344-M348 WeakPolarHBondContact O-CG 3.43Å; E344-M348 PolarHBondContact O-N 3.31Å
345G91.3Very high93Very high11 Ų1144.2 Ų44.211%0.11325%0.251CS..Hα-helixtrans-58.9-41.117200000112.7S341 Q342 M348 R349S341-G345 PolarHBondContact O-N 3.48Å; Q342-G345 PolarHBondContact O-N 3.02Å; G345-M348 PolarHBondContact O-N 2.64Å; G345-R349 PolarHBondContact O-N 2.8Å
346E92.1Very high93Very high80 Ų8047.4 Ų47.437%0.37427%0.272SS..Hα-helixtrans-65.8-39173.6-72.8-177.5-168.200112.6Q342 S343 E344 R349 Q350Q342-E346 PolarHBondContact O-N 2.86Å; S343-E346 PolarHBondContact O-N 3.39Å; E344-E346 VanDerWaalsContact C-N 3.31Å; E344-E346 PolarHBondContact O-N 3.27Å; E346-R349 WeakPolarHBondContact O-CB 3.48Å; E346-R349 PolarHBondContact O-N 2.91Å; E346-Q350 WeakPolarHBondContact O-CG 3.46Å; E346-Q350 PolarHBondContact O-N 3.23Å
347A93.8Very high93.1Very high37 Ų3749.4 Ų49.431%0.30628%0.282SS..Hα-helixtrans-62.4-43.7174.300000111.7F303 S343 E344 R349 Q350 A351F303-A347 HydrophobicContact CE1-CB 4.08Å; F303-A347 HydrophobicContact CZ-CB 4.13Å; S343-A347 PolarHBondContact O-N 2.79Å; E344-A347 WeakPolarHBondContact O-CB 3.25Å; E344-A347 PolarHBondContact O-N 3.43Å; E344-A347 VanDerWaalsContact O-N 3.16Å; A347-R349 VanDerWaalsContact C-N 3.32Å; A347-R349 PolarHBondContact O-N 3.18Å; A347-Q350 PolarHBondContact O-N 3.02Å; A347-A351 WeakPolarHBondContact O-CB 3.5Å; A347-A351 PolarHBondContact O-N 2.72Å
348M94.4Very high93.2Very high0 Ų054.4 Ų54.40%032%0.315CS..Hα-helixtrans-62.1-38.9174.6-71.2-175.872.600112.3P300 F303 S333 L337 L340 E344 G345 A351 G352 L353 L354P300-M348 HydrophobicContact CB-CE 4.46Å; F303-M348 HydrophobicContact CD1-CG 3.85Å; F303-M348 HydrophobicContact CE1-CB 4.45Å; F303-M348 HydrophobicContact CE1-CG 3.83Å; S333-M348 WeakPolarHBondContact O-CE 3.27Å; L337-M348 HydrophobicContact CD2-SD 4.33Å; L340-M348 HydrophobicContact CD1-SD 3.34Å; L340-M348 WeakPolarHBondContact CD1-SD 3.1Å; E344-M348 WeakPolarHBondContact O-CG 3.43Å; E344-M348 PolarHBondContact O-N 3.31Å; G345-M348 PolarHBondContact O-N 2.64Å; M348-A351 PolarHBondContact O-N 3.26Å; M348-G352 PolarHBondContact O-N 3.48Å; M348-L353 HydrophobicContact CB-CB 4.33Å; M348-L353 HydrophobicContact CB-CD1 4.29Å; M348-L353 HydrophobicContact CE-CB 4.21Å; M348-L353 HydrophobicContact CE-CD1 3.93Å; M348-L353 HydrophobicContact CG-CD1 4.14Å; M348-L353 WeakPolarHBondContact O-CB 3.21Å; M348-L353 PolarHBondContact O-N 3.42Å; M348-L353 VanDerWaalsContact O-N 3.07Å; M348-L354 HydrophobicContact CB-CD1 4.23Å; M348-L354 HydrophobicContact CB-CG 4.23Å; M348-L354 HydrophobicContact CE-CD2 4.38Å
349R93Very high93.4Very high68 Ų6862 Ų6226%0.25734%0.342SS..Hα-helixtrans-60.5-48.7174.4-169-164.968.4-179.30.9110.8M237 G345 E346 A347 A351 G352 L354M237-R349 PolarHBondContact O-NH1 3.01Å; G345-R349 PolarHBondContact O-N 2.8Å; E346-R349 WeakPolarHBondContact O-CB 3.48Å; E346-R349 PolarHBondContact O-N 2.91Å; A347-R349 VanDerWaalsContact C-N 3.32Å; A347-R349 PolarHBondContact O-N 3.18Å; R349-A351 VanDerWaalsContact C-N 3.29Å; R349-A351 PolarHBondContact O-N 2.97Å; R349-G352 PolarHBondContact O-N 3.16Å; R349-L354 HydrophobicContact CB-CD1 3.96Å
350Q93.1Very high93.6Very high148 Ų14865.1 Ų65.169%0.69236%0.363SS*.Hα-helixtrans-63.9-34.8179.1-68.8177.722.400112.1E346 A347 G352E346-Q350 WeakPolarHBondContact O-CG 3.46Å; E346-Q350 PolarHBondContact O-N 3.23Å; A347-Q350 PolarHBondContact O-N 3.02Å; Q350-G352 PolarHBondContact O-N 3.14Å
351A95.1Very high93.8Very high44 Ų4475 Ų7536%0.36440%0.398SS..THydrogen-bonded Turntrans-71.4-4.8173.400000114.1F303 A347 M348 R349 L353F303-A351 HydrophobicContact CD2-CB 4.45Å; F303-A351 HydrophobicContact CE1-CB 4.39Å; F303-A351 HydrophobicContact CE2-CB 3.8Å; F303-A351 HydrophobicContact CZ-CB 3.77Å; A347-A351 WeakPolarHBondContact O-CB 3.5Å; A347-A351 PolarHBondContact O-N 2.72Å; M348-A351 PolarHBondContact O-N 3.26Å; R349-A351 VanDerWaalsContact C-N 3.29Å; R349-A351 PolarHBondContact O-N 2.97Å; A351-L353 VanDerWaalsContact C-N 3.34Å; A351-L353 HydrophobicContact CB-CD1 4.47Å; A351-L353 HydrophobicContact CB-CG 4.43Å
352G94.9Very high94.1Very high28 Ų2876.1 Ų76.129%0.28940%0.398SS..THydrogen-bonded Turntrans74.221.1179.100000114.4M348 R349 Q350M348-G352 PolarHBondContact O-N 3.48Å; R349-G352 PolarHBondContact O-N 3.16Å; Q350-G352 PolarHBondContact O-N 3.14Å
353L96.1Very high94.5Very high0 Ų078.9 Ų78.90%040%0.403CS..SBendtrans-76.6-32178.3-76.5173.5000112.8F299 P300 F303 R329 L330 S333 M348 A351F299-L353 HydrophobicContact CD1-CD2 3.3Å; F299-L353 HydrophobicContact CD1-CG 4.26Å; F299-L353 HydrophobicContact CE1-CD1 4.24Å; F299-L353 HydrophobicContact CE1-CD2 3.4Å; F299-L353 VanDerWaalsContact CE1-CD2 3.4Å; F299-L353 HydrophobicContact CE1-CG 3.9Å; F299-L353 HydrophobicContact CG-CD2 4.49Å; P300-L353 HydrophobicContact CB-CD1 4.35Å; P300-L353 HydrophobicContact CB-CD2 4.26Å; F303-L353 HydrophobicContact CB-CD1 4.17Å; F303-L353 HydrophobicContact CD1-CD1 3.96Å; F303-L353 HydrophobicContact CG-CD1 4.04Å; R329-L353 HydrophobicContact CG-CD2 4.39Å; L330-L353 VanDerWaalsContact CD1-O 3.27Å; L330-L353 WeakPolarHBondContact CD1-O 3.45Å; S333-L353 WeakPolarHBondContact CB-O 3.37Å; M348-L353 HydrophobicContact CB-CB 4.33Å; M348-L353 HydrophobicContact CB-CD1 4.29Å; M348-L353 HydrophobicContact CE-CB 4.21Å; M348-L353 HydrophobicContact CE-CD1 3.93Å; M348-L353 HydrophobicContact CG-CD1 4.14Å; M348-L353 WeakPolarHBondContact O-CB 3.21Å; M348-L353 PolarHBondContact O-N 3.42Å; M348-L353 VanDerWaalsContact O-N 3.07Å; A351-L353 VanDerWaalsContact C-N 3.34Å; A351-L353 HydrophobicContact CB-CD1 4.47Å; A351-L353 HydrophobicContact CB-CG 4.43Å
354L94.5Very high94.8Very high4 Ų480.9 Ų80.92%0.02140%0.402CS..SBendtrans-92.9-12.2-175.8-57.2176.5000113.6Q239 L330 S333 R334 L337 M348 R349Q239-L354 HydrophobicContact CB-CD1 4.34Å; Q239-L354 HydrophobicContact CG-CD1 4.25Å; L330-L354 WeakPolarHBondContact CD1-O 3.39Å; S333-L354 WeakPolarHBondContact O-CD2 3.4Å; R334-L354 HydrophobicContact CG-CD2 4.33Å; L337-L354 HydrophobicContact CD1-CD1 3.95Å; L337-L354 HydrophobicContact CD1-CD2 3.7Å; L337-L354 HydrophobicContact CD1-CG 4.46Å; L337-L354 HydrophobicContact CD2-CD1 3.99Å; L337-L354 HydrophobicContact CD2-CD2 4.27Å; L337-L354 HydrophobicContact CG-CD1 4.44Å; L337-L354 HydrophobicContact CG-CD2 4.01Å; M348-L354 HydrophobicContact CB-CD1 4.23Å; M348-L354 HydrophobicContact CB-CG 4.23Å; M348-L354 HydrophobicContact CE-CD2 4.38Å; R349-L354 HydrophobicContact CB-CD1 3.96Å
355T93.6Very high95.1Very high83 Ų8378.6 Ų78.651%0.50939%0.391SS..SBendtrans-84.6122.6-177.2-49.80000110.7D357T355-D357 PolarHBondContact O-N 3.03Å
356P94.4Very high95.4Very high68 Ų6883.8 Ų83.844%0.44242%0.422SS..  trans-67.4132.9172.727.9-32.6000110.5L330 P358L330-P356 HydrophobicContact CD2-CB 3.98Å; P356-P358 WeakPolarHBondContact O-CD 3.44Å
357D96.1Very high95.6Very high42 Ų4283.1 Ų83.123%0.22544%0.437CS..  trans-72.2110.6178-173.4-11000110.2R260 T355 R359R260-D357 IonicContact NE-OD2 3.26Å; T355-D357 PolarHBondContact O-N 3.03Å; D357-R359 PolarHBondContact O-N 3.25Å; D357-R359 VanDerWaalsContact OD1-CB 3.22Å; D357-R359 WeakPolarHBondContact OD1-CB 3.47Å; D357-R359 VanDerWaalsContact OD1-CG 3.24Å; D357-R359 WeakPolarHBondContact OD1-CG 3.35Å; D357-R359 IonicContact OD1-CZ 3.86Å; D357-R359 PolarHBondContact OD1-N 2.85Å; D357-R359 IonicContact OD1-NE 3.59Å; D357-R359 PolarHBondContact OD1-NE 2.94Å; D357-R359 IonicContact OD1-NH2 3.79Å; D357-R359 IonicContact OD2-CZ 2.76Å; D357-R359 IonicContact OD2-NE 3.91Å; D357-R359 PolarHBondContact OD2-NE 2.72Å; D357-R359 IonicContact OD2-NH2 3.86Å; D357-R359 PolarHBondContact OD2-NH2 2.74Å
358P96.5Very high95.8Very high114 Ų11483.2 Ų83.274%0.7443%0.431SS*.  trans-77.3-4.7-176.233.6-35.9000112.8P356 V360P356-P358 WeakPolarHBondContact O-CD 3.44Å; P358-V360 PolarHBondContact O-N 2.92Å; P358-V360 VanDerWaalsContact O-N 3.1Å
359R95.9Very high95.9Very high175 Ų17586.7 Ų86.766%0.6645%0.448SS*.  trans-71.2107.7-176.4-62.6176.4-64.8-177.9-1.3110.7D357D357-R359 PolarHBondContact O-N 3.25Å; D357-R359 VanDerWaalsContact OD1-CB 3.22Å; D357-R359 WeakPolarHBondContact OD1-CB 3.47Å; D357-R359 VanDerWaalsContact OD1-CG 3.24Å; D357-R359 WeakPolarHBondContact OD1-CG 3.35Å; D357-R359 IonicContact OD1-CZ 3.86Å; D357-R359 PolarHBondContact OD1-N 2.85Å; D357-R359 IonicContact OD1-NE 3.59Å; D357-R359 PolarHBondContact OD1-NE 2.94Å; D357-R359 IonicContact OD1-NH2 3.79Å; D357-R359 IonicContact OD2-CZ 2.76Å; D357-R359 IonicContact OD2-NE 3.91Å; D357-R359 PolarHBondContact OD2-NE 2.72Å; D357-R359 IonicContact OD2-NH2 3.86Å; D357-R359 PolarHBondContact OD2-NH2 2.74Å
360V96.2Very high96.1Very high100 Ų10084.5 Ų84.561%0.60645%0.446SS*.  trans-118.9154.1176.7-177.20000109.9P358 E362P358-V360 PolarHBondContact O-N 2.92Å; P358-V360 VanDerWaalsContact O-N 3.1Å; V360-E362 PolarHBondContact O-N 2.99Å; V360-E362 VanDerWaalsContact O-N 3.13Å
361R96.2Very high96.3Very high233 Ų23378.7 Ų78.788%0.87942%0.423SS*.PPolyproline II helixtrans-58.1119176.1179.4-178.6175.2-131.94109.8
362E96.6Very high96.3Very high76 Ų7684.8 Ų84.836%0.35544%0.437SS..PPolyproline II helixtrans-71.8141.8176.3-168178.8175.600111.6V360 K365 A371 R372V360-E362 PolarHBondContact O-N 2.99Å; V360-E362 VanDerWaalsContact O-N 3.13Å; E362-K365 IonicContact OE1-NZ 3.09Å; E362-K365 PolarHBondContact OE1-NZ 3.3Å; E362-K365 IonicContact OE2-NZ 3.17Å; E362-A371 HydrophobicContact CB-CB 4.08Å; E362-A371 HydrophobicContact CG-CB 4.34Å; E362-R372 VanDerWaalsContact CD-NE 3.35Å; E362-R372 IonicContact OE1-CZ 3.35Å; E362-R372 IonicContact OE1-NE 3.71Å; E362-R372 PolarHBondContact OE1-NE 3.46Å; E362-R372 IonicContact OE1-NH1 3.98Å; E362-R372 IonicContact OE1-NH2 2.94Å; E362-R372 PolarHBondContact OE1-NH2 3.1Å; E362-R372 IonicContact OE2-CZ 2.96Å; E362-R372 IonicContact OE2-NE 3.62Å; E362-R372 PolarHBondContact OE2-NE 3.06Å; E362-R372 IonicContact OE2-NH2 3.31Å; E362-R372 PolarHBondContact OE2-NH2 3.3Å
363R97.9Very high96.5Very high180 Ų18091.3 Ų91.368%0.67945%0.453SS*.PPolyproline II helixtrans-64.9148.4177.771.7179-177.887.8-4.9112.3K365 A371R363-K365 PolarHBondContact O-NZ 3.26Å; R363-A371 WeakPolarHBondContact O-CB 3.23Å
364K97.6Very high96.5Very high124 Ų12496.8 Ų96.854%0.53948%0.476SS..PPolyproline II helixtrans-66.3147.4166.7-177.4175.7175.4176.50110Q368 E369K364-Q368 WeakPolarHBondContact CE-O 3.23Å; K364-E369 WeakPolarHBondContact CE-O 3.48Å; K364-E369 PolarHBondContact NZ-O 3.16Å
365K98Very high96.7Very high36 Ų36102.2 Ų102.216%0.15750%0.5CS..  trans-106.3143.3176.1-70.581.5-178.4168.60109.1E362 R363 Q368 A371E362-K365 IonicContact OE1-NZ 3.09Å; E362-K365 PolarHBondContact OE1-NZ 3.3Å; E362-K365 IonicContact OE2-NZ 3.17Å; R363-K365 PolarHBondContact O-NZ 3.26Å; K365-Q368 HydrophobicContact CB-CB 4.48Å; K365-Q368 HydrophobicContact CB-CG 4.16Å; K365-Q368 PolarHBondContact O-N 3.39Å; K365-A371 VanDerWaalsContact CD-O 3.25Å; K365-A371 WeakPolarHBondContact CD-O 3.14Å; K365-A371 WeakPolarHBondContact CE-O 2.97Å; K365-A371 PolarHBondContact NZ-O 3.43Å
366P97.8Very high96.8Very high119 Ų119104.2 Ų104.277%0.77351%0.512SS*.THydrogen-bonded Turntrans-59.1144.9169.827.6-33.9000109.7Q368P366-Q368 VanDerWaalsContact C-N 3.3Å; P366-Q368 PolarHBondContact O-N 2.93Å
367G96.5Very high97Very high67 Ų67110.3 Ų110.369%0.69153%0.527SS*.THydrogen-bonded Turntrans74.511.3-175.800000115.5
368Q97.4Very high96.9Very high39 Ų39117 Ų11718%0.18255%0.554CS.*SBendtrans-131.1151.7176.5-54.2-173.914.600110.6K364 K365 P366 K374K364-Q368 WeakPolarHBondContact CE-O 3.23Å; K365-Q368 HydrophobicContact CB-CB 4.48Å; K365-Q368 HydrophobicContact CB-CG 4.16Å; K365-Q368 PolarHBondContact O-N 3.39Å; P366-Q368 VanDerWaalsContact C-N 3.3Å; P366-Q368 PolarHBondContact O-N 2.93Å; Q368-K374 HydrophobicContact CB-CD 4.33Å; Q368-K374 HydrophobicContact CG-CD 3.69Å; Q368-K374 VanDerWaalsContact NE2-CE 3.32Å
369E96.9Very high96.7Very high73 Ų73119.7 Ų119.734%0.34155%0.554SS.*SBendtrans-69.8-43.1179.2-167-179.6164.400110.9K364 R373 F375K364-E369 WeakPolarHBondContact CE-O 3.48Å; K364-E369 PolarHBondContact NZ-O 3.16Å; E369-R373 HydrophobicContact CB-CG 4.26Å; E369-R373 PolarHBondContact N-O 3.43Å; E369-R373 VanDerWaalsContact N-O 3.1Å; E369-R373 IonicContact OE1-CZ 3.74Å; E369-R373 VanDerWaalsContact OE1-CZ 3.26Å; E369-R373 IonicContact OE1-NE 3.22Å; E369-R373 PolarHBondContact OE1-NE 3.46Å; E369-R373 IonicContact OE1-NH1 3.99Å; E369-R373 IonicContact OE1-NH2 3.75Å; E369-R373 PolarHBondContact OE1-NH2 3.09Å; E369-R373 VanDerWaalsContact OE1-NH2 3.09Å; E369-R373 IonicContact OE2-CZ 3.41Å; E369-R373 VanDerWaalsContact OE2-CZ 3.3Å; E369-R373 IonicContact OE2-NE 2.86Å; E369-R373 PolarHBondContact OE2-NE 3.17Å; E369-R373 IonicContact OE2-NH2 2.74Å; E369-R373 PolarHBondContact OE2-NH2 2.73Å; E369-F375 HydrophobicContact CB-CD1 3.74Å; E369-F375 HydrophobicContact CB-CE1 3.7Å; E369-F375 HydrophobicContact CB-CG 4.47Å; E369-F375 HydrophobicContact CB-CZ 4.4Å; E369-F375 HydrophobicContact CG-CD1 4.17Å; E369-F375 HydrophobicContact CG-CE1 3.97Å
370G96.4Very high95.9Very high21 Ų21125.9 Ų125.922%0.21658%0.577CS.*SBendtrans-130.5-160.7178.400000113.6R372 R373G370-R372 VanDerWaalsContact C-N 3.29Å; G370-R372 PolarHBondContact O-N 2.99Å; G370-R373 PolarHBondContact N-O 3.07Å
371A96.9Very high95.9Very high27 Ų27127.2 Ų127.222%0.22358%0.576CS.*SBendtrans-66-33.3175.800000112.6E362 R363 K365E362-A371 HydrophobicContact CB-CB 4.08Å; E362-A371 HydrophobicContact CG-CB 4.34Å; R363-A371 WeakPolarHBondContact O-CB 3.23Å; K365-A371 VanDerWaalsContact CD-O 3.25Å; K365-A371 WeakPolarHBondContact CD-O 3.14Å; K365-A371 WeakPolarHBondContact CE-O 2.97Å; K365-A371 PolarHBondContact NZ-O 3.43Å
372R96.8Very high95.9Very high172 Ų172121.6 Ų121.665%0.64956%0.56SS**SBendtrans-129.3-35.3179.2-60.7-64.5178.6166.84.3112.7E362 G370 K374E362-R372 VanDerWaalsContact CD-NE 3.35Å; E362-R372 IonicContact OE1-CZ 3.35Å; E362-R372 IonicContact OE1-NE 3.71Å; E362-R372 PolarHBondContact OE1-NE 3.46Å; E362-R372 IonicContact OE1-NH1 3.98Å; E362-R372 IonicContact OE1-NH2 2.94Å; E362-R372 PolarHBondContact OE1-NH2 3.1Å; E362-R372 IonicContact OE2-CZ 2.96Å; E362-R372 IonicContact OE2-NE 3.62Å; E362-R372 PolarHBondContact OE2-NE 3.06Å; E362-R372 IonicContact OE2-NH2 3.31Å; E362-R372 PolarHBondContact OE2-NH2 3.3Å; G370-R372 VanDerWaalsContact C-N 3.29Å; G370-R372 PolarHBondContact O-N 2.99Å; R372-K374 PolarHBondContact O-N 2.77Å; R372-K374 PolarHBondContact O-NZ 2.81Å
373R97.4Very high95.9Very high165 Ų165124.2 Ų124.262%0.62357%0.571SS**PPolyproline II helixtrans-59.7124.8176.7-175.9173.1167.1169.7-7.3110.9E369 G370E369-R373 HydrophobicContact CB-CG 4.26Å; E369-R373 PolarHBondContact N-O 3.43Å; E369-R373 VanDerWaalsContact N-O 3.1Å; E369-R373 IonicContact OE1-CZ 3.74Å; E369-R373 VanDerWaalsContact OE1-CZ 3.26Å; E369-R373 IonicContact OE1-NE 3.22Å; E369-R373 PolarHBondContact OE1-NE 3.46Å; E369-R373 IonicContact OE1-NH1 3.99Å; E369-R373 IonicContact OE1-NH2 3.75Å; E369-R373 PolarHBondContact OE1-NH2 3.09Å; E369-R373 VanDerWaalsContact OE1-NH2 3.09Å; E369-R373 IonicContact OE2-CZ 3.41Å; E369-R373 VanDerWaalsContact OE2-CZ 3.3Å; E369-R373 IonicContact OE2-NE 2.86Å; E369-R373 PolarHBondContact OE2-NE 3.17Å; E369-R373 IonicContact OE2-NH2 2.74Å; E369-R373 PolarHBondContact OE2-NH2 2.73Å; G370-R373 PolarHBondContact N-O 3.07Å
374K97.4Very high95.7Very high114 Ų114120.9 Ų120.950%0.49657%0.565SS.*PPolyproline II helixtrans-91.7157.8175.7-57.8-64.5-178.4-83.90109.4Q368 R372Q368-K374 HydrophobicContact CB-CD 4.33Å; Q368-K374 HydrophobicContact CG-CD 3.69Å; Q368-K374 VanDerWaalsContact NE2-CE 3.32Å; R372-K374 PolarHBondContact O-N 2.77Å; R372-K374 PolarHBondContact O-NZ 2.81Å
375F97.8Very high95.6Very high119 Ų119120.7 Ų120.752%0.52257%0.567SS.*PPolyproline II helixtrans-63.2156.4167.3-64.2-62.1000110.3E369 W377E369-F375 HydrophobicContact CB-CD1 3.74Å; E369-F375 HydrophobicContact CB-CE1 3.7Å; E369-F375 HydrophobicContact CB-CG 4.47Å; E369-F375 HydrophobicContact CB-CZ 4.4Å; E369-F375 HydrophobicContact CG-CD1 4.17Å; E369-F375 HydrophobicContact CG-CE1 3.97Å; F375-W377 PolarHBondContact O-N 3.38Å
376T97.1Very high95.5Very high124 Ų124126.3 Ų126.376%0.76159%0.594SS**  trans-58114.9173.7-51.20000109.5K378T376-K378 PolarHBondContact O-N 3.27Å
377W96.6Very high95.3Very high196 Ų196126.9 Ų126.974%0.74258%0.581SS**  trans-76.2122176.3178.974.4000109.7F375 K379F375-W377 PolarHBondContact O-N 3.38Å; W377-K379 HydrophobicContact CE3-CB 4.11Å; W377-K379 HydrophobicContact CH2-CB 3.48Å; W377-K379 VanDerWaalsContact CH2-CB 3.48Å; W377-K379 HydrophobicContact CH2-CD 3.59Å; W377-K379 HydrophobicContact CH2-CG 3.33Å; W377-K379 HydrophobicContact CZ2-CB 4.09Å; W377-K379 HydrophobicContact CZ2-CG 4.05Å; W377-K379 HydrophobicContact CZ3-CB 3.48Å; W377-K379 VanDerWaalsContact CZ3-CB 3.48Å; W377-K379 HydrophobicContact CZ3-CD 3.8Å; W377-K379 HydrophobicContact CZ3-CG 3.77Å
378K94.9Very high95.2Very high182 Ų182131.5 Ų131.579%0.79157%0.573SS**  trans-96.5120.3172.3-65.3-173.5179.8-177.70108.5T376T376-K378 PolarHBondContact O-N 3.27Å
379K92.6Very high95Very high172 Ų172139.2 Ų139.275%0.74861%0.605SS**  trans-78.1-26.2-178-173.5167.1-175.7-179.20114W377W377-K379 HydrophobicContact CE3-CB 4.11Å; W377-K379 HydrophobicContact CH2-CB 3.48Å; W377-K379 VanDerWaalsContact CH2-CB 3.48Å; W377-K379 HydrophobicContact CH2-CD 3.59Å; W377-K379 HydrophobicContact CH2-CG 3.33Å; W377-K379 HydrophobicContact CZ2-CB 4.09Å; W377-K379 HydrophobicContact CZ2-CG 4.05Å; W377-K379 HydrophobicContact CZ3-CB 3.48Å; W377-K379 VanDerWaalsContact CZ3-CB 3.48Å; W377-K379 HydrophobicContact CZ3-CD 3.8Å; W377-K379 HydrophobicContact CZ3-CG 3.77Å
380R79.4Confident94.9Very high305 Ų305145.2 Ų145.2100%1.15163%0.629SS**  trans-103.30-164.7-64.1-176.1-178.5-175.10.2111.7

Retrieved 380 of 380 residues in 768.8 ms (Link to these results)